A0A3B3UZC9_9TELE 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 A0A3B3UZC9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 237 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	47.3	Very low	56.5	Low	227 Å²	227	165.3 Å²	165.3	100%	1.118	81%	0.808	S	S	*	*				0	124.6	0	-67.9	179.1	175.3	0	0	108	I3	M1-I3 PolarHBondContact O-N 3.42Å
2	P	51.1	Low	58.8	Low	121 Å²	121	157.3 Å²	157.3	79%	0.786	78%	0.778	S	S	*	*			trans	-73.1	125.1	176.8	9.5	3.4	0	0	0	109.3	Y4	P2-Y4 PolarHBondContact O-N 3.16Å
3	I	51.6	Low	60.3	Low	162 Å²	162	152.8 Å²	152.8	83%	0.831	77%	0.768	S	S	*	*			trans	-76	102.2	176	-59.8	171.8	0	0	0	107.4	M1 K5	M1-I3 PolarHBondContact O-N 3.42Å; I3-K5 PolarHBondContact O-N 3.14Å; I3-K5 VanDerWaalsContact O-N 3.14Å
4	Y	51.2	Low	61.5	Low	218 Å²	218	148.1 Å²	148.1	86%	0.855	76%	0.756	S	S	*	*			trans	-67.1	107.8	169.7	-110.9	-95.4	0	0	0	108.6	P2	P2-Y4 PolarHBondContact O-N 3.16Å
5	K	55.9	Low	62.6	Low	179 Å²	179	141.7 Å²	141.7	78%	0.778	73%	0.727	S	S	*	*			trans	-65.5	127.9	166.8	-75.8	-175.3	178.5	177.6	0	107.8	I3 F7	I3-K5 PolarHBondContact O-N 3.14Å; I3-K5 VanDerWaalsContact O-N 3.14Å; K5-F7 PolarHBondContact O-N 3.18Å; K5-F7 VanDerWaalsContact O-N 3.16Å
6	P	52.3	Low	63.3	Low	116 Å²	116	137.9 Å²	137.9	75%	0.753	71%	0.705	S	S	*	*			trans	-63.1	122.3	177	24.5	-30.9	0	0	0	108.7	K8	P6-K8 PolarHBondContact O-N 2.79Å
7	F	51.9	Low	64.2	Low	204 Å²	204	139.1 Å²	139.1	90%	0.895	70%	0.704	S	S	*	*			trans	-63.8	100.7	173	-124.4	-95	0	0	0	107.4	K5 K9	K5-F7 PolarHBondContact O-N 3.18Å; K5-F7 VanDerWaalsContact O-N 3.16Å; F7-K9 PolarHBondContact O-N 3.02Å
8	K	58.1	Low	65.1	Low	182 Å²	182	136.8 Å²	136.8	79%	0.791	69%	0.694	S	S	*	*			trans	-63.8	109	166.9	-73.6	-174.5	178.9	-177.8	0	105.8	P6 T10	P6-K8 PolarHBondContact O-N 2.79Å; K8-T10 PolarHBondContact O-N 2.95Å
9	K	60	Low	65.7	Low	201 Å²	201	135.1 Å²	135.1	87%	0.874	68%	0.681	S	S	*	*			trans	-60.5	93.3	170.2	-75.4	-175.4	177.4	179.5	0	107.4	F7 L11	F7-K9 PolarHBondContact O-N 3.02Å; K9-L11 PolarHBondContact O-N 3.07Å
10	T	67.9	Low	66.4	Low	129 Å²	129	134 Å²	134	79%	0.791	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-66.9	126.6	170.2	33.9	0	0	0	0	107.3	K8	K8-T10 PolarHBondContact O-N 2.95Å
11	L	74.6	Confident	67.1	Low	79 Å²	79	131.4 Å²	131.4	41%	0.414	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-60.4	149.6	175.2	-71.2	165.9	0	0	0	109.3	K9 V15 K19	K9-L11 PolarHBondContact O-N 3.07Å; L11-V15 HydrophobicContact CB-CB 4.32Å; L11-V15 HydrophobicContact CB-CG1 4.26Å; L11-V15 HydrophobicContact CD1-CG1 4.25Å; L11-V15 HydrophobicContact CD2-CG1 4.17Å; L11-V15 HydrophobicContact CG-CG1 4.47Å; L11-K19 HydrophobicContact CD1-CD 4.16Å
12	P	83.6	Confident	68.7	Low	70 Å²	70	123 Å²	123	46%	0.455	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-52.8	142.7	173.3	-23.4	31.9	0	0	0	110.6	S14 V15 Q16	P12-S14 PolarHBondContact O-N 3.44Å; P12-V15 HydrophobicContact CB-CG2 4.12Å; P12-V15 HydrophobicContact CG-CG2 4.08Å; P12-V15 WeakPolarHBondContact O-CA 3.46Å; P12-V15 WeakPolarHBondContact O-CB 3.37Å; P12-V15 PolarHBondContact O-N 3.06Å; P12-Q16 PolarHBondContact O-N 2.89Å
13	P	78.1	Confident	70.2	Confident	99 Å²	99	121.1 Å²	121.1	64%	0.643	61%	0.609	S	S	*	*	H	α-helix	trans	-55	-31	-178	-28.2	34.8	0	0	0	114.1	K17	P13-K17 WeakPolarHBondContact O-CB 3.49Å; P13-K17 VanDerWaalsContact O-CG 3.26Å; P13-K17 WeakPolarHBondContact O-CG 3.36Å; P13-K17 PolarHBondContact O-N 3.41Å
14	S	77.3	Confident	71.6	Confident	86 Å²	86	115.9 Å²	115.9	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-63.8	-43.2	173.6	50.4	0	0	0	0	112.4	P12 K17 D18	P12-S14 PolarHBondContact O-N 3.44Å; S14-K17 PolarHBondContact O-N 2.91Å; S14-D18 WeakPolarHBondContact O-CB 3.35Å; S14-D18 PolarHBondContact O-N 3.47Å
15	V	77.8	Confident	73.3	Confident	53 Å²	53	107.3 Å²	107.3	32%	0.321	57%	0.565	S	S	.	*	H	α-helix	trans	-69.4	-36.9	178.5	179.4	0	0	0	0	110.9	L11 P12 K19	L11-V15 HydrophobicContact CB-CB 4.32Å; L11-V15 HydrophobicContact CB-CG1 4.26Å; L11-V15 HydrophobicContact CD1-CG1 4.25Å; L11-V15 HydrophobicContact CD2-CG1 4.17Å; L11-V15 HydrophobicContact CG-CG1 4.47Å; P12-V15 HydrophobicContact CB-CG2 4.12Å; P12-V15 HydrophobicContact CG-CG2 4.08Å; P12-V15 WeakPolarHBondContact O-CA 3.46Å; P12-V15 WeakPolarHBondContact O-CB 3.37Å; P12-V15 PolarHBondContact O-N 3.06Å; V15-K19 WeakPolarHBondContact O-CG 3.26Å; V15-K19 PolarHBondContact O-N 3.36Å
16	Q	74.9	Confident	74.7	Confident	81 Å²	81	105.3 Å²	105.3	38%	0.379	56%	0.562	S	S	.	*	H	α-helix	trans	-67.3	-47.3	175	-170.4	60	47.6	0	0	111.2	P12 D18 K19 D20	P12-Q16 PolarHBondContact O-N 2.89Å; Q16-D18 VanDerWaalsContact C-N 3.29Å; Q16-D18 PolarHBondContact O-N 2.88Å; Q16-K19 PolarHBondContact O-N 2.93Å; Q16-D20 PolarHBondContact NE2-OD1 3.2Å; Q16-D20 PolarHBondContact NE2-OD2 3.05Å; Q16-D20 PolarHBondContact O-N 2.9Å
17	K	78.5	Confident	76.2	Confident	158 Å²	158	105.4 Å²	105.4	69%	0.687	55%	0.547	S	S	*	.	H	α-helix	trans	-59.8	-38.7	175.7	-76.3	-179.9	177.8	-174.2	0	112.5	P13 S14 D20 S21	P13-K17 WeakPolarHBondContact O-CB 3.49Å; P13-K17 VanDerWaalsContact O-CG 3.26Å; P13-K17 WeakPolarHBondContact O-CG 3.36Å; P13-K17 PolarHBondContact O-N 3.41Å; S14-K17 PolarHBondContact O-N 2.91Å; K17-D20 PolarHBondContact O-N 3.35Å; K17-S21 WeakPolarHBondContact O-CB 3.46Å; K17-S21 PolarHBondContact O-N 3.03Å
18	D	79.3	Confident	77.9	Confident	98 Å²	98	104.2 Å²	104.2	52%	0.524	54%	0.544	S	S	.	.	H	α-helix	trans	-63.1	-48.4	175.2	-176.2	66.5	0	0	0	111.3	S14 Q16 D20 S21 Q22	S14-D18 WeakPolarHBondContact O-CB 3.35Å; S14-D18 PolarHBondContact O-N 3.47Å; Q16-D18 VanDerWaalsContact C-N 3.29Å; Q16-D18 PolarHBondContact O-N 2.88Å; D18-D20 PolarHBondContact O-N 3.16Å; D18-S21 PolarHBondContact O-N 3.42Å; D18-S21 VanDerWaalsContact O-N 3.16Å; D18-S21 PolarHBondContact O-OG 3.24Å; D18-Q22 WeakPolarHBondContact O-CG 3.45Å
19	K	77.6	Confident	79.5	Confident	104 Å²	104	97.8 Å²	97.8	45%	0.452	52%	0.52	S	S	.	.	H	α-helix	trans	-58	-45.1	175	-75.8	-178.2	177.5	-169.5	0	112.7	L11 V15 Q16 S21 Q22	L11-K19 HydrophobicContact CD1-CD 4.16Å; V15-K19 WeakPolarHBondContact O-CG 3.26Å; V15-K19 PolarHBondContact O-N 3.36Å; Q16-K19 PolarHBondContact O-N 2.93Å; K19-S21 PolarHBondContact O-N 3.49Å; K19-Q22 WeakPolarHBondContact O-CB 3.35Å; K19-Q22 WeakPolarHBondContact O-CG 3.46Å; K19-Q22 PolarHBondContact O-N 2.67Å
20	D	79.2	Confident	81	Confident	113 Å²	113	90 Å²	90	60%	0.604	49%	0.489	S	S	*	.	H	α-helix	trans	-69.8	-23.1	-178.6	-61.5	-20.6	0	0	0	112.1	Q16 K17 D18 Q22	Q16-D20 PolarHBondContact NE2-OD1 3.2Å; Q16-D20 PolarHBondContact NE2-OD2 3.05Å; Q16-D20 PolarHBondContact O-N 2.9Å; K17-D20 PolarHBondContact O-N 3.35Å; D18-D20 PolarHBondContact O-N 3.16Å; D20-Q22 VanDerWaalsContact C-N 3.31Å
21	S	80.3	Confident	82.1	Confident	79 Å²	79	90.8 Å²	90.8	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-77.9	-13.3	176.9	79.3	0	0	0	0	113.9	K17 D18 K19	K17-S21 WeakPolarHBondContact O-CB 3.46Å; K17-S21 PolarHBondContact O-N 3.03Å; D18-S21 PolarHBondContact O-N 3.42Å; D18-S21 VanDerWaalsContact O-N 3.16Å; D18-S21 PolarHBondContact O-OG 3.24Å; K19-S21 PolarHBondContact O-N 3.49Å
22	Q	82.2	Confident	82.8	Confident	51 Å²	51	89.4 Å²	89.4	24%	0.238	48%	0.475	C	S	.	.	S	Bend	trans	-69	136.9	-176.9	-58.8	-174.5	-6.1	0	0	111.5	D18 K19 D20 C24 N45	D18-Q22 WeakPolarHBondContact O-CG 3.45Å; K19-Q22 WeakPolarHBondContact O-CB 3.35Å; K19-Q22 WeakPolarHBondContact O-CG 3.46Å; K19-Q22 PolarHBondContact O-N 2.67Å; D20-Q22 VanDerWaalsContact C-N 3.31Å; Q22-C24 PolarHBondContact O-N 3.08Å; Q22-N45 WeakPolarHBondContact CA-OD1 3.4Å
23	K	82.9	Confident	83	Confident	81 Å²	81	93.8 Å²	93.8	35%	0.352	50%	0.501	S	S	.	.			trans	-68.9	106.8	171.2	-60.1	178.3	-172.7	176.4	0	108.7	W42 E44 N45	K23-W42 HydrophobicContact CB-CB 4.02Å; K23-W42 HydrophobicContact CB-CD2 4.17Å; K23-W42 HydrophobicContact CB-CE3 4.13Å; K23-W42 HydrophobicContact CB-CG 4.14Å; K23-W42 HydrophobicContact CD-CD2 4.29Å; K23-W42 HydrophobicContact CD-CE3 4.13Å; K23-W42 HydrophobicContact CD-CZ3 4.28Å; K23-W42 WeakPolarHBondContact O-CB 3.35Å; K23-E44 PolarHBondContact O-N 2.8Å; K23-N45 PolarHBondContact N-OD1 3.48Å; K23-N45 PolarHBondContact O-N 2.81Å; K23-N45 VanDerWaalsContact O-N 3.12Å
24	C	81	Confident	83.2	Confident	52 Å²	52	92 Å²	92	35%	0.351	49%	0.49	S	S	.	.			trans	-125.6	153.2	171.6	-64.4	0	0	0	0	110	Q22 R27 W42	Q22-C24 PolarHBondContact O-N 3.08Å; C24-R27 PolarHBondContact O-NE 3.12Å; C24-R27 VanDerWaalsContact O-NE 3.09Å; C24-R27 PolarHBondContact O-NH2 3.31Å; C24-W42 CarbonylContact C-O 3.4Å; C24-W42 VanDerWaalsContact CA-O 3.28Å; C24-W42 WeakPolarHBondContact CA-O 3.37Å
25	G	85	Confident	83.8	Confident	39 Å²	39	89.1 Å²	89.1	40%	0.402	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.5	-172.1	177.1	0	0	0	0	0	114.3	R27 W42	G25-R27 PolarHBondContact O-N 2.78Å; G25-W42 PolarHBondContact N-O 2.85Å; G25-W42 PolarHBondContact O-N 2.9Å
26	L	85.8	Confident	84.6	Confident	137 Å²	137	88.1 Å²	88.1	72%	0.717	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.2	175.7	-176	64.4	0	0	0	110.2	E41	L26-E41 HydrophobicContact CD1-CG 4.32Å
27	R	84.9	Confident	85.7	Confident	117 Å²	117	86.1 Å²	86.1	44%	0.442	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150	175.9	-61.3	-66.4	177	158.4	0.1	110.5	C24 G25 G40 W42	C24-R27 PolarHBondContact O-NE 3.12Å; C24-R27 VanDerWaalsContact O-NE 3.09Å; C24-R27 PolarHBondContact O-NH2 3.31Å; G25-R27 PolarHBondContact O-N 2.78Å; R27-G40 PolarHBondContact N-O 3.01Å; R27-W42 HydrophobicContact CG-CG 4.27Å
28	H	86.8	Confident	86.5	Confident	179 Å²	179	78.8 Å²	78.8	83%	0.829	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	172.8	161.3	-63	-70.5	0	0	0	110.8	V30	H28-V30 PolarHBondContact O-N 3.46Å
29	T	91.6	Very high	87.4	Confident	48 Å²	48	76.7 Å²	76.7	29%	0.294	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	121.6	-176.8	-48.7	0	0	0	0	112.2	Y31 E37 Y38 T39	T29-Y31 HydrophobicContact CG2-CD1 4.49Å; T29-Y31 HydrophobicContact CG2-CD2 4.44Å; T29-Y31 HydrophobicContact CG2-CE1 3.94Å; T29-Y31 HydrophobicContact CG2-CE2 3.86Å; T29-E37 HydrophobicContact CG2-CB 3.78Å; T29-E37 HydrophobicContact CG2-CG 4.36Å; T29-Y38 CarbonylContact C-O 3.52Å; T29-Y38 WeakPolarHBondContact CA-O 3.42Å; T29-T39 WeakPolarHBondContact CA-OG1 2.96Å; T29-T39 WeakPolarHBondContact CB-OG1 3.45Å; T29-T39 PolarHBondContact OG1-OG1 3.24Å
30	V	91.1	Very high	88.2	Confident	36 Å²	36	72 Å²	72	22%	0.218	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.1	172.1	179.6	0	0	0	0	108.4	H28 Y38 W42	H28-V30 PolarHBondContact O-N 3.46Å; V30-Y38 PolarHBondContact N-O 3.03Å; V30-Y38 PolarHBondContact O-N 3.17Å; V30-W42 HydrophobicContact CB-CZ2 3.78Å; V30-W42 HydrophobicContact CG1-CH2 4.3Å; V30-W42 HydrophobicContact CG1-CZ2 3.99Å; V30-W42 HydrophobicContact CG2-CZ2 3.68Å
31	Y	92.1	Very high	89.1	Confident	147 Å²	147	70.1 Å²	70.1	58%	0.576	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.7	178.2	-57.9	-91.7	0	0	0	110.3	T29 E37	T29-Y31 HydrophobicContact CG2-CD1 4.49Å; T29-Y31 HydrophobicContact CG2-CD2 4.44Å; T29-Y31 HydrophobicContact CG2-CE1 3.94Å; T29-Y31 HydrophobicContact CG2-CE2 3.86Å; Y31-E37 HydrophobicContact CD1-CG 3.74Å; Y31-E37 HydrophobicContact CE1-CG 3.73Å; Y31-E37 WeakPolarHBondContact CE1-OE1 3.47Å
32	S	89.1	Confident	89.8	Confident	49 Å²	49	67.6 Å²	67.6	34%	0.343	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-91.5	161.6	169.2	63.4	0	0	0	0	110.9	C34 G35 N36	S32-C34 PolarHBondContact O-N 2.8Å; S32-C34 VanDerWaalsContact O-N 3.15Å; S32-C34 PolarHBondContact OG-SG 3.19Å; S32-G35 PolarHBondContact O-N 2.92Å; S32-N36 PolarHBondContact N-O 2.81Å; S32-N36 WeakPolarHBondContact OG-CA 3.47Å; S32-N36 VanDerWaalsContact OG-CB 3.23Å; S32-N36 WeakPolarHBondContact OG-CB 3.34Å; S32-N36 PolarHBondContact OG-N 3.32Å; S32-N36 PolarHBondContact OG-O 3.39Å
33	V	86.6	Confident	90.3	Very high	163 Å²	163	67.9 Å²	67.9	99%	0.988	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.3	179.1	-175.6	0	0	0	0	112.4	G35	V33-G35 PolarHBondContact O-N 2.84Å
34	C	83.5	Confident	90.7	Very high	61 Å²	61	69.1 Å²	69.1	41%	0.412	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.4	177.9	55.4	0	0	0	0	114.3	S32 N36	S32-C34 PolarHBondContact O-N 2.8Å; S32-C34 VanDerWaalsContact O-N 3.15Å; S32-C34 PolarHBondContact OG-SG 3.19Å; C34-N36 VanDerWaalsContact C-N 3.35Å; C34-N36 PolarHBondContact SG-ND2 3.09Å
35	G	90.4	Very high	91.2	Very high	26 Å²	26	70.4 Å²	70.4	27%	0.268	38%	0.376	S	S	.	.	S	Bend	trans	84	2.8	178.6	0	0	0	0	0	114.7	S32 V33 K56	S32-G35 PolarHBondContact O-N 2.92Å; V33-G35 PolarHBondContact O-N 2.84Å; G35-K56 VanDerWaalsContact O-CD 3.22Å; G35-K56 WeakPolarHBondContact O-CD 3.28Å; G35-K56 WeakPolarHBondContact O-CE 3.34Å; G35-K56 WeakPolarHBondContact O-CG 3.29Å
36	N	94.6	Very high	91.6	Very high	31 Å²	31	73.5 Å²	73.5	17%	0.166	38%	0.379	C	S	.	.			trans	-70.2	147.4	172.7	-56.9	-28.7	0	0	0	110.2	S32 C34 V54 W55 K56	S32-N36 PolarHBondContact N-O 2.81Å; S32-N36 WeakPolarHBondContact OG-CA 3.47Å; S32-N36 VanDerWaalsContact OG-CB 3.23Å; S32-N36 WeakPolarHBondContact OG-CB 3.34Å; S32-N36 PolarHBondContact OG-N 3.32Å; S32-N36 PolarHBondContact OG-O 3.39Å; C34-N36 VanDerWaalsContact C-N 3.35Å; C34-N36 PolarHBondContact SG-ND2 3.09Å; N36-V54 WeakPolarHBondContact CA-O 3.23Å; N36-V54 WeakPolarHBondContact CB-O 3.38Å; N36-W55 WeakPolarHBondContact OD1-CA 3.33Å; N36-K56 PolarHBondContact OD1-N 3.15Å
37	E	96.8	Very high	92.1	Very high	40 Å²	40	69.1 Å²	69.1	19%	0.187	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.8	-173.2	-51.5	-174.5	173.5	0	0	109.9	T29 Y31 Q53 V54 K56	T29-E37 HydrophobicContact CG2-CB 3.78Å; T29-E37 HydrophobicContact CG2-CG 4.36Å; Y31-E37 HydrophobicContact CD1-CG 3.74Å; Y31-E37 HydrophobicContact CE1-CG 3.73Å; Y31-E37 WeakPolarHBondContact CE1-OE1 3.47Å; E37-Q53 WeakPolarHBondContact O-CA 3.28Å; E37-Q53 VanDerWaalsContact O-CD 3.26Å; E37-Q53 PolarHBondContact O-NE2 2.89Å; E37-V54 HydrophobicContact CB-CB 4.18Å; E37-V54 PolarHBondContact N-O 3.01Å; E37-V54 PolarHBondContact O-N 3.39Å; E37-K56 VanDerWaalsContact CD-CE 3.5Å; E37-K56 WeakPolarHBondContact OE1-CE 3.28Å; E37-K56 IonicContact OE1-NZ 2.8Å; E37-K56 PolarHBondContact OE1-NZ 3.33Å
38	Y	96.5	Very high	92.7	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.4	170.5	178.3	-95.5	0	0	0	110.8	T29 V30 E41 W42 K47 I52 Q53 W66	T29-Y38 CarbonylContact C-O 3.52Å; T29-Y38 WeakPolarHBondContact CA-O 3.42Å; V30-Y38 PolarHBondContact N-O 3.03Å; V30-Y38 PolarHBondContact O-N 3.17Å; Y38-E41 WeakPolarHBondContact CE1-O 3.3Å; Y38-E41 PolarHBondContact OH-O 3.24Å; Y38-W42 AromaticContact CD1-CE2 3.46Å; Y38-W42 VanDerWaalsContact CD1-CE2 3.46Å; Y38-W42 HydrophobicContact CD1-CH2 4.38Å; Y38-W42 AromaticContact CD1-CZ2 3.36Å; Y38-W42 HydrophobicContact CD1-CZ2 3.36Å; Y38-W42 AromaticContact CD1-NE1 3.38Å; Y38-W42 AromaticContact CE1-CD1 3.93Å; Y38-W42 HydrophobicContact CE1-CD2 4.34Å; Y38-W42 AromaticContact CE1-CE2 3.62Å; Y38-W42 AromaticContact CE1-CZ2 3.96Å; Y38-W42 HydrophobicContact CE1-CZ2 3.96Å; Y38-W42 AromaticContact CE1-NE1 3.35Å; Y38-W42 VanDerWaalsContact CE1-NE1 3.35Å; Y38-W42 HydrophobicContact CG-CZ2 4.18Å; Y38-K47 HydrophobicContact CD1-CD 4.45Å; Y38-K47 HydrophobicContact CD1-CG 4.03Å; Y38-K47 HydrophobicContact CD2-CD 3.53Å; Y38-K47 HydrophobicContact CD2-CG 3.91Å; Y38-K47 HydrophobicContact CE1-CB 4.21Å; Y38-K47 HydrophobicContact CE1-CG 3.82Å; Y38-K47 HydrophobicContact CE2-CB 3.93Å; Y38-K47 HydrophobicContact CE2-CD 3.62Å; Y38-K47 HydrophobicContact CE2-CG 3.7Å; Y38-K47 HydrophobicContact CG-CD 3.96Å; Y38-K47 HydrophobicContact CG-CG 4.04Å; Y38-I52 CarbonylContact C-O 3.6Å; Y38-I52 WeakPolarHBondContact CA-O 3.43Å; Y38-I52 WeakPolarHBondContact CD2-O 3.32Å; Y38-Q53 HydrophobicContact CD2-CB 4.24Å; Y38-W66 HydrophobicContact CD2-CZ2 4.48Å; Y38-W66 AromaticContact CE2-CD1 3.98Å; Y38-W66 HydrophobicContact CE2-CD2 4.13Å; Y38-W66 AromaticContact CE2-CE2 3.76Å; Y38-W66 HydrophobicContact CE2-CG 4.28Å; Y38-W66 HydrophobicContact CE2-CZ2 4.23Å; Y38-W66 AromaticContact CE2-NE1 3.65Å
39	T	97.3	Very high	93.2	Very high	53 Å²	53	58.2 Å²	58.2	33%	0.325	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.1	176.6	-52.7	0	0	0	0	108.2	T29 G51 I52	T29-T39 WeakPolarHBondContact CA-OG1 2.96Å; T29-T39 WeakPolarHBondContact CB-OG1 3.45Å; T29-T39 PolarHBondContact OG1-OG1 3.24Å; T39-G51 CarbonylContact O-C 3.49Å; T39-G51 VanDerWaalsContact O-CA 3.26Å; T39-G51 WeakPolarHBondContact O-CA 3.36Å; T39-I52 PolarHBondContact N-O 3.17Å; T39-I52 PolarHBondContact O-N 2.84Å
40	G	95.7	Very high	93.5	Very high	5 Å²	5	62.7 Å²	62.7	5%	0.052	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.1	-163.4	-176.6	0	0	0	0	0	113.3	R27 W42 K50	R27-G40 PolarHBondContact N-O 3.01Å; G40-W42 VanDerWaalsContact O-CD1 3.29Å; G40-K50 WeakPolarHBondContact CA-O 3.3Å
41	E	96.2	Very high	93.8	Very high	75 Å²	75	61.2 Å²	61.2	35%	0.35	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149	-177.5	-70.5	170.3	-106.5	0	0	112	L26 Y38 H48 K50	L26-E41 HydrophobicContact CD1-CG 4.32Å; Y38-E41 WeakPolarHBondContact CE1-O 3.3Å; Y38-E41 PolarHBondContact OH-O 3.24Å; E41-H48 CarbonylContact C-O 3.15Å; E41-H48 WeakPolarHBondContact CA-O 3.39Å; E41-H48 WeakPolarHBondContact CB-O 3.46Å; E41-H48 PolarHBondContact O-N 3.03Å; E41-H48 VanDerWaalsContact O-N 3.17Å; E41-K50 PolarHBondContact N-O 2.95Å; E41-K50 PolarHBondContact OE1-N 3.19Å
42	W	95.9	Very high	94	Very high	25 Å²	25	57.5 Å²	57.5	10%	0.095	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.3	177.3	-66.8	76.5	0	0	0	110.3	K23 C24 G25 R27 V30 Y38 G40 N45 K46 K47	K23-W42 HydrophobicContact CB-CB 4.02Å; K23-W42 HydrophobicContact CB-CD2 4.17Å; K23-W42 HydrophobicContact CB-CE3 4.13Å; K23-W42 HydrophobicContact CB-CG 4.14Å; K23-W42 HydrophobicContact CD-CD2 4.29Å; K23-W42 HydrophobicContact CD-CE3 4.13Å; K23-W42 HydrophobicContact CD-CZ3 4.28Å; K23-W42 WeakPolarHBondContact O-CB 3.35Å; C24-W42 CarbonylContact C-O 3.4Å; C24-W42 VanDerWaalsContact CA-O 3.28Å; C24-W42 WeakPolarHBondContact CA-O 3.37Å; G25-W42 PolarHBondContact N-O 2.85Å; G25-W42 PolarHBondContact O-N 2.9Å; R27-W42 HydrophobicContact CG-CG 4.27Å; V30-W42 HydrophobicContact CB-CZ2 3.78Å; V30-W42 HydrophobicContact CG1-CH2 4.3Å; V30-W42 HydrophobicContact CG1-CZ2 3.99Å; V30-W42 HydrophobicContact CG2-CZ2 3.68Å; Y38-W42 AromaticContact CD1-CE2 3.46Å; Y38-W42 VanDerWaalsContact CD1-CE2 3.46Å; Y38-W42 HydrophobicContact CD1-CH2 4.38Å; Y38-W42 AromaticContact CD1-CZ2 3.36Å; Y38-W42 HydrophobicContact CD1-CZ2 3.36Å; Y38-W42 AromaticContact CD1-NE1 3.38Å; Y38-W42 AromaticContact CE1-CD1 3.93Å; Y38-W42 HydrophobicContact CE1-CD2 4.34Å; Y38-W42 AromaticContact CE1-CE2 3.62Å; Y38-W42 AromaticContact CE1-CZ2 3.96Å; Y38-W42 HydrophobicContact CE1-CZ2 3.96Å; Y38-W42 AromaticContact CE1-NE1 3.35Å; Y38-W42 VanDerWaalsContact CE1-NE1 3.35Å; Y38-W42 HydrophobicContact CG-CZ2 4.18Å; G40-W42 VanDerWaalsContact O-CD1 3.29Å; W42-N45 WeakPolarHBondContact CZ3-O 3.32Å; W42-K46 CarbonylContact C-O 3.54Å; W42-K46 VanDerWaalsContact CA-O 3.29Å; W42-K46 WeakPolarHBondContact CA-O 3.33Å; W42-K47 HydrophobicContact CH2-CG 4.23Å; W42-K47 HydrophobicContact CZ2-CG 4.45Å; W42-K47 HydrophobicContact CZ3-CG 4.35Å
43	L	93.2	Very high	94.4	Very high	58 Å²	58	55.3 Å²	55.3	30%	0.304	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125	170.7	-177.4	65	0	0	0	108.3	N45 K46 H48 Y68	L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.07Å; L43-K46 PolarHBondContact N-O 3.4Å; L43-K46 WeakPolarHBondContact O-CB 3.22Å; L43-K46 PolarHBondContact O-N 2.92Å; L43-H48 HydrophobicContact CB-CB 3.55Å; L43-Y68 HydrophobicContact CD2-CE1 4.18Å
44	E	91.8	Very high	95	Very high	107 Å²	107	49 Å²	49	50%	0.5	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	49.7	177.7	-60.2	177.9	170.7	0	0	112.7	K23 K46	K23-E44 PolarHBondContact O-N 2.8Å; E44-K46 PolarHBondContact O-N 2.93Å; E44-K46 VanDerWaalsContact O-N 3.08Å
45	N	90.2	Very high	95.6	Very high	79 Å²	79	49.1 Å²	49.1	42%	0.422	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	10.2	-177.1	-66.2	-47.2	0	0	0	115.6	Q22 K23 W42 L43	Q22-N45 WeakPolarHBondContact CA-OD1 3.4Å; K23-N45 PolarHBondContact N-OD1 3.48Å; K23-N45 PolarHBondContact O-N 2.81Å; K23-N45 VanDerWaalsContact O-N 3.12Å; W42-N45 WeakPolarHBondContact CZ3-O 3.32Å; L43-N45 VanDerWaalsContact C-N 3.34Å; L43-N45 PolarHBondContact O-N 3.07Å
46	K	93.8	Very high	95.6	Very high	103 Å²	103	53.3 Å²	53.3	45%	0.448	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.9	176.8	-65	176.7	-177.8	172.5	0	110.9	W42 L43 E44 H48 Y68	W42-K46 CarbonylContact C-O 3.54Å; W42-K46 VanDerWaalsContact CA-O 3.29Å; W42-K46 WeakPolarHBondContact CA-O 3.33Å; L43-K46 PolarHBondContact N-O 3.4Å; L43-K46 WeakPolarHBondContact O-CB 3.22Å; L43-K46 PolarHBondContact O-N 2.92Å; E44-K46 PolarHBondContact O-N 2.93Å; E44-K46 VanDerWaalsContact O-N 3.08Å; K46-H48 PolarHBondContact O-N 2.83Å; K46-Y68 HydrophobicContact CD-CD1 4.4Å
47	K	96.3	Very high	95.5	Very high	46 Å²	46	60.5 Å²	60.5	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.1	171.4	-57.7	169.5	-174.2	167.8	0	108.8	Y38 W42 W66 Y68 G69	Y38-K47 HydrophobicContact CD1-CD 4.45Å; Y38-K47 HydrophobicContact CD1-CG 4.03Å; Y38-K47 HydrophobicContact CD2-CD 3.53Å; Y38-K47 HydrophobicContact CD2-CG 3.91Å; Y38-K47 HydrophobicContact CE1-CB 4.21Å; Y38-K47 HydrophobicContact CE1-CG 3.82Å; Y38-K47 HydrophobicContact CE2-CB 3.93Å; Y38-K47 HydrophobicContact CE2-CD 3.62Å; Y38-K47 HydrophobicContact CE2-CG 3.7Å; Y38-K47 HydrophobicContact CG-CD 3.96Å; Y38-K47 HydrophobicContact CG-CG 4.04Å; W42-K47 HydrophobicContact CH2-CG 4.23Å; W42-K47 HydrophobicContact CZ2-CG 4.45Å; W42-K47 HydrophobicContact CZ3-CG 4.35Å; K47-W66 HydrophobicContact CB-CB 4.11Å; K47-W66 HydrophobicContact CB-CD2 3.96Å; K47-W66 HydrophobicContact CB-CE3 3.8Å; K47-W66 HydrophobicContact CB-CG 4.1Å; K47-W66 HydrophobicContact CD-CD2 4.19Å; K47-W66 HydrophobicContact CD-CE3 3.74Å; K47-W66 HydrophobicContact CD-CH2 4.06Å; K47-W66 HydrophobicContact CD-CZ2 4.46Å; K47-W66 HydrophobicContact CD-CZ3 3.67Å; K47-W66 HydrophobicContact CG-CE3 4.44Å; K47-Y68 PolarHBondContact O-N 2.91Å; K47-G69 PolarHBondContact O-N 2.79Å
48	H	97.3	Very high	95.2	Very high	48 Å²	48	62.1 Å²	62.1	22%	0.222	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.4	-177.3	-157.9	96.1	0	0	0	108.5	E41 L43 K46 W66	E41-H48 CarbonylContact C-O 3.15Å; E41-H48 WeakPolarHBondContact CA-O 3.39Å; E41-H48 WeakPolarHBondContact CB-O 3.46Å; E41-H48 PolarHBondContact O-N 3.03Å; E41-H48 VanDerWaalsContact O-N 3.17Å; L43-H48 HydrophobicContact CB-CB 3.55Å; K46-H48 PolarHBondContact O-N 2.83Å; H48-W66 CarbonylContact C-O 3.35Å; H48-W66 VanDerWaalsContact CA-O 3.3Å; H48-W66 WeakPolarHBondContact CA-O 3.43Å
49	G	96.8	Very high	95.1	Very high	18 Å²	18	62.3 Å²	62.3	19%	0.186	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.3	-147.4	178.5	0	0	0	0	0	112	E65 W66	G49-E65 CarbonylContact O-C 3.57Å; G49-E65 WeakPolarHBondContact O-CA 3.42Å; G49-W66 PolarHBondContact N-O 3.45Å; G49-W66 PolarHBondContact O-N 2.8Å
50	K	97.7	Very high	95.1	Very high	143 Å²	143	59.8 Å²	59.8	62%	0.622	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.6	-178.9	-66.1	178.9	-179.3	178.6	0	111.2	G40 E41 E65	G40-K50 WeakPolarHBondContact CA-O 3.3Å; E41-K50 PolarHBondContact N-O 2.95Å; E41-K50 PolarHBondContact OE1-N 3.19Å; K50-E65 HydrophobicContact CG-CG 4.32Å
51	G	97.3	Very high	95.2	Very high	5 Å²	5	60.9 Å²	60.9	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	161.8	177.2	0	0	0	0	0	115.1	T39 G64 W66	T39-G51 CarbonylContact O-C 3.49Å; T39-G51 VanDerWaalsContact O-CA 3.26Å; T39-G51 WeakPolarHBondContact O-CA 3.36Å; G51-G64 PolarHBondContact N-O 3.02Å; G51-G64 PolarHBondContact O-N 2.8Å; G51-G64 VanDerWaalsContact O-N 3.07Å; G51-G64 VanDerWaalsContact O-O 3.08Å; G51-W66 PolarHBondContact O-NE1 3.32Å
52	I	98	Very high	95.3	Very high	68 Å²	68	57.3 Å²	57.3	35%	0.349	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.3	176.3	-57.8	172.1	0	0	0	108.1	Y38 T39 V54 V61 Y62 H63	Y38-I52 CarbonylContact C-O 3.6Å; Y38-I52 WeakPolarHBondContact CA-O 3.43Å; Y38-I52 WeakPolarHBondContact CD2-O 3.32Å; T39-I52 PolarHBondContact N-O 3.17Å; T39-I52 PolarHBondContact O-N 2.84Å; I52-V54 HydrophobicContact CG2-CG2 4.32Å; I52-V61 HydrophobicContact CG2-CG1 3.99Å; I52-Y62 CarbonylContact C-O 3.56Å; I52-Y62 VanDerWaalsContact CA-O 3.28Å; I52-Y62 WeakPolarHBondContact CA-O 3.46Å; I52-H63 HydrophobicContact CG1-CB 4.21Å; I52-H63 VanDerWaalsContact CG1-CD2 3.42Å; I52-H63 WeakPolarHBondContact CG1-CD2 3.49Å
53	Q	97.7	Very high	95.5	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.4	172.5	174.9	62	60.1	0	0	109.5	E37 Y38 W55 V61 Y62 W66	E37-Q53 WeakPolarHBondContact O-CA 3.28Å; E37-Q53 VanDerWaalsContact O-CD 3.26Å; E37-Q53 PolarHBondContact O-NE2 2.89Å; Y38-Q53 HydrophobicContact CD2-CB 4.24Å; Q53-W55 HydrophobicContact CB-CH2 4Å; Q53-W55 HydrophobicContact CB-CZ2 4.24Å; Q53-W55 HydrophobicContact CB-CZ3 4.16Å; Q53-W55 HydrophobicContact CG-CD2 3.65Å; Q53-W55 HydrophobicContact CG-CE3 3.83Å; Q53-W55 HydrophobicContact CG-CG 4.43Å; Q53-W55 HydrophobicContact CG-CH2 3.52Å; Q53-W55 HydrophobicContact CG-CZ2 3.32Å; Q53-W55 HydrophobicContact CG-CZ3 3.78Å; Q53-V61 CarbonylContact O-C 3.54Å; Q53-V61 VanDerWaalsContact O-CA 3.28Å; Q53-V61 WeakPolarHBondContact O-CA 3.47Å; Q53-Y62 PolarHBondContact N-O 2.85Å; Q53-Y62 PolarHBondContact O-N 2.82Å; Q53-W66 HydrophobicContact CB-CH2 3.9Å; Q53-W66 HydrophobicContact CB-CZ2 3.45Å; Q53-W66 VanDerWaalsContact CB-CZ2 3.45Å; Q53-W66 HydrophobicContact CG-CH2 4.17Å; Q53-W66 HydrophobicContact CG-CZ2 4.23Å
54	V	97.4	Very high	95.7	Very high	30 Å²	30	59 Å²	59	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.5	172.8	-174	0	0	0	0	108.7	N36 E37 I52 K56 V61	N36-V54 WeakPolarHBondContact CA-O 3.23Å; N36-V54 WeakPolarHBondContact CB-O 3.38Å; E37-V54 HydrophobicContact CB-CB 4.18Å; E37-V54 PolarHBondContact N-O 3.01Å; E37-V54 PolarHBondContact O-N 3.39Å; I52-V54 HydrophobicContact CG2-CG2 4.32Å; V54-K56 HydrophobicContact CG1-CG 4.43Å; V54-V61 HydrophobicContact CB-CG2 4.4Å; V54-V61 HydrophobicContact CG1-CG2 4.09Å; V54-V61 HydrophobicContact CG2-CG2 4.12Å
55	W	96.3	Very high	96	Very high	64 Å²	64	57.7 Å²	57.7	24%	0.242	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	94.1	172.4	-65.2	-87.7	0	0	0	109.2	N36 Q53 K57 A58 G59 A60 Y62 W66 Y77	N36-W55 WeakPolarHBondContact OD1-CA 3.33Å; Q53-W55 HydrophobicContact CB-CH2 4Å; Q53-W55 HydrophobicContact CB-CZ2 4.24Å; Q53-W55 HydrophobicContact CB-CZ3 4.16Å; Q53-W55 HydrophobicContact CG-CD2 3.65Å; Q53-W55 HydrophobicContact CG-CE3 3.83Å; Q53-W55 HydrophobicContact CG-CG 4.43Å; Q53-W55 HydrophobicContact CG-CH2 3.52Å; Q53-W55 HydrophobicContact CG-CZ2 3.32Å; Q53-W55 HydrophobicContact CG-CZ3 3.78Å; W55-K57 PolarHBondContact O-N 2.89Å; W55-A58 HydrophobicContact CB-CB 3.95Å; W55-A58 PolarHBondContact O-N 3.44Å; W55-G59 PolarHBondContact O-N 3.02Å; W55-A60 HydrophobicContact CB-CB 4.36Å; W55-A60 HydrophobicContact CE3-CB 3.89Å; W55-A60 PolarHBondContact N-O 2.81Å; W55-A60 PolarHBondContact O-N 3.5Å; W55-Y62 VanDerWaalsContact CZ3-CB 3.49Å; W55-W66 HydrophobicContact CH2-CH2 4.46Å; W55-W66 HydrophobicContact CZ2-CH2 4.43Å; W55-Y77 HydrophobicContact CE3-CE2 4.46Å; W55-Y77 HydrophobicContact CZ3-CD2 4.27Å; W55-Y77 AromaticContact CZ3-CE2 3.96Å; W55-Y77 HydrophobicContact CZ3-CE2 3.96Å
56	K	91.4	Very high	96.4	Very high	113 Å²	113	54.6 Å²	54.6	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-47.8	-171.6	-72.9	-163.5	-177.4	-179.9	0	113.5	G35 N36 E37 V54 A58 G59	G35-K56 VanDerWaalsContact O-CD 3.22Å; G35-K56 WeakPolarHBondContact O-CD 3.28Å; G35-K56 WeakPolarHBondContact O-CE 3.34Å; G35-K56 WeakPolarHBondContact O-CG 3.29Å; N36-K56 PolarHBondContact OD1-N 3.15Å; E37-K56 VanDerWaalsContact CD-CE 3.5Å; E37-K56 WeakPolarHBondContact OE1-CE 3.28Å; E37-K56 IonicContact OE1-NZ 2.8Å; E37-K56 PolarHBondContact OE1-NZ 3.33Å; V54-K56 HydrophobicContact CG1-CG 4.43Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.32Å; K56-G59 PolarHBondContact O-N 3.28Å
57	K	91	Very high	96.6	Very high	182 Å²	182	54.7 Å²	54.7	79%	0.791	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-32.4	-178	-63.9	-169.7	180	-173	0	113	W55 G59	W55-K57 PolarHBondContact O-N 2.89Å; K57-G59 VanDerWaalsContact C-N 3.33Å
58	A	92.1	Very high	96.6	Very high	74 Å²	74	58.1 Å²	58.1	61%	0.612	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.8	178.6	0	0	0	0	0	112.6	W55 K56 A60	W55-A58 HydrophobicContact CB-CB 3.95Å; W55-A58 PolarHBondContact O-N 3.44Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-A58 PolarHBondContact O-N 3.32Å; A58-A60 VanDerWaalsContact C-N 3.3Å; A58-A60 HydrophobicContact CB-CB 4.45Å; A58-A60 PolarHBondContact O-N 3.07Å
59	G	94.7	Very high	96.5	Very high	8 Å²	8	57.5 Å²	57.5	8%	0.082	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	43.2	-173.7	0	0	0	0	0	111.9	W55 K56 K57 V79 Q80	W55-G59 PolarHBondContact O-N 3.02Å; K56-G59 PolarHBondContact O-N 3.28Å; K57-G59 VanDerWaalsContact C-N 3.33Å; G59-V79 CarbonylContact O-C 3.25Å; G59-V79 WeakPolarHBondContact O-CA 3.47Å; G59-Q80 VanDerWaalsContact O-CB 3.31Å; G59-Q80 WeakPolarHBondContact O-CB 3.47Å; G59-Q80 PolarHBondContact O-N 3.26Å
60	A	96.9	Very high	96.5	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.2	-176.5	0	0	0	0	0	111.6	W55 A58 Y77 S78	W55-A60 HydrophobicContact CB-CB 4.36Å; W55-A60 HydrophobicContact CE3-CB 3.89Å; W55-A60 PolarHBondContact N-O 2.81Å; W55-A60 PolarHBondContact O-N 3.5Å; A58-A60 VanDerWaalsContact C-N 3.3Å; A58-A60 HydrophobicContact CB-CB 4.45Å; A58-A60 PolarHBondContact O-N 3.07Å; A60-Y77 HydrophobicContact CB-CE2 3.87Å; A60-Y77 WeakPolarHBondContact CB-OH 3.37Å; A60-S78 CarbonylContact C-O 3.6Å; A60-S78 WeakPolarHBondContact CA-O 3.5Å
61	V	97.9	Very high	96.6	Very high	28 Å²	28	57.5 Å²	57.5	17%	0.17	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.6	175	177.1	0	0	0	0	109.4	I52 Q53 V54 Y77 S78 Y87	I52-V61 HydrophobicContact CG2-CG1 3.99Å; Q53-V61 CarbonylContact O-C 3.54Å; Q53-V61 VanDerWaalsContact O-CA 3.28Å; Q53-V61 WeakPolarHBondContact O-CA 3.47Å; V54-V61 HydrophobicContact CB-CG2 4.4Å; V54-V61 HydrophobicContact CG1-CG2 4.09Å; V54-V61 HydrophobicContact CG2-CG2 4.12Å; V61-Y77 WeakPolarHBondContact O-CA 3.32Å; V61-S78 PolarHBondContact N-O 2.94Å; V61-S78 PolarHBondContact O-N 2.83Å; V61-Y87 HydrophobicContact CB-CD1 4.38Å; V61-Y87 HydrophobicContact CB-CE1 4.26Å; V61-Y87 HydrophobicContact CG2-CD1 3.97Å; V61-Y87 HydrophobicContact CG2-CE1 3.45Å; V61-Y87 VanDerWaalsContact CG2-CE1 3.45Å
62	Y	98.4	Very high	96.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.2	166.9	173.8	-95.2	0	0	0	109.2	I52 Q53 W55 E65 W66 R71 T76 W95	I52-Y62 CarbonylContact C-O 3.56Å; I52-Y62 VanDerWaalsContact CA-O 3.28Å; I52-Y62 WeakPolarHBondContact CA-O 3.46Å; Q53-Y62 PolarHBondContact N-O 2.85Å; Q53-Y62 PolarHBondContact O-N 2.82Å; W55-Y62 VanDerWaalsContact CZ3-CB 3.49Å; Y62-E65 PolarHBondContact OH-N 3.45Å; Y62-E65 PolarHBondContact OH-O 3.44Å; Y62-W66 AromaticContact CD1-CE2 3.57Å; Y62-W66 HydrophobicContact CD1-CH2 4.32Å; Y62-W66 AromaticContact CD1-CZ2 3.35Å; Y62-W66 HydrophobicContact CD1-CZ2 3.35Å; Y62-W66 AromaticContact CD1-NE1 3.56Å; Y62-W66 HydrophobicContact CE1-CD2 4.37Å; Y62-W66 AromaticContact CE1-CE2 3.59Å; Y62-W66 AromaticContact CE1-CZ2 3.83Å; Y62-W66 HydrophobicContact CE1-CZ2 3.83Å; Y62-W66 AromaticContact CE1-NE1 3.4Å; Y62-W66 HydrophobicContact CG-CZ2 4.28Å; Y62-R71 HydrophobicContact CD1-CG 4.01Å; Y62-R71 VanDerWaalsContact CD2-CD 3.45Å; Y62-R71 HydrophobicContact CD2-CG 4.09Å; Y62-R71 HydrophobicContact CE1-CB 4.24Å; Y62-R71 HydrophobicContact CE1-CG 3.73Å; Y62-R71 HydrophobicContact CE2-CB 4.14Å; Y62-R71 HydrophobicContact CE2-CG 3.84Å; Y62-R71 HydrophobicContact CG-CG 4.14Å; Y62-T76 CarbonylContact C-O 3.54Å; Y62-T76 WeakPolarHBondContact CA-O 3.48Å; Y62-W95 HydrophobicContact CD2-CZ2 4.37Å; Y62-W95 AromaticContact CE2-CD1 3.93Å; Y62-W95 HydrophobicContact CE2-CD2 4.21Å; Y62-W95 AromaticContact CE2-CE2 3.73Å; Y62-W95 HydrophobicContact CE2-CG 4.31Å; Y62-W95 HydrophobicContact CE2-CZ2 4.18Å; Y62-W95 AromaticContact CE2-NE1 3.58Å
63	H	98.4	Very high	96.6	Very high	109 Å²	109	56.6 Å²	56.6	51%	0.505	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.1	171.4	176.8	-150.3	0	0	0	108.4	I52 G75 T76	I52-H63 HydrophobicContact CG1-CB 4.21Å; I52-H63 VanDerWaalsContact CG1-CD2 3.42Å; I52-H63 WeakPolarHBondContact CG1-CD2 3.49Å; H63-G75 CarbonylContact O-C 3.46Å; H63-G75 WeakPolarHBondContact O-CA 3.35Å; H63-T76 PolarHBondContact N-O 2.9Å; H63-T76 PolarHBondContact O-N 3.07Å
64	G	98.1	Very high	96.7	Very high	10 Å²	10	62.5 Å²	62.5	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-160.4	-178.9	0	0	0	0	0	113.3	G51 W66 Y74	G51-G64 PolarHBondContact N-O 3.02Å; G51-G64 PolarHBondContact O-N 2.8Å; G51-G64 VanDerWaalsContact O-N 3.07Å; G51-G64 VanDerWaalsContact O-O 3.08Å; G64-W66 VanDerWaalsContact O-CD1 3.29Å; G64-Y74 VanDerWaalsContact CA-O 3.31Å; G64-Y74 WeakPolarHBondContact CA-O 3.26Å
65	E	98.5	Very high	96.7	Very high	79 Å²	79	61.1 Å²	61.1	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	149.3	-178.3	-65.6	175	-106.3	0	0	112.2	G49 K50 Y62 D72 Y74	G49-E65 CarbonylContact O-C 3.57Å; G49-E65 WeakPolarHBondContact O-CA 3.42Å; K50-E65 HydrophobicContact CG-CG 4.32Å; Y62-E65 PolarHBondContact OH-N 3.45Å; Y62-E65 PolarHBondContact OH-O 3.44Å; E65-D72 CarbonylContact C-O 3.51Å; E65-D72 WeakPolarHBondContact CB-O 2.96Å; E65-D72 PolarHBondContact O-N 2.75Å; E65-Y74 PolarHBondContact N-O 2.87Å; E65-Y74 PolarHBondContact OE1-N 2.96Å
66	W	98.3	Very high	96.8	Very high	13 Å²	13	59.5 Å²	59.5	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.1	-177.9	-65.8	81.9	0	0	0	110.3	Y38 K47 H48 G49 G51 Q53 W55 Y62 G64 K70 R71	Y38-W66 HydrophobicContact CD2-CZ2 4.48Å; Y38-W66 AromaticContact CE2-CD1 3.98Å; Y38-W66 HydrophobicContact CE2-CD2 4.13Å; Y38-W66 AromaticContact CE2-CE2 3.76Å; Y38-W66 HydrophobicContact CE2-CG 4.28Å; Y38-W66 HydrophobicContact CE2-CZ2 4.23Å; Y38-W66 AromaticContact CE2-NE1 3.65Å; K47-W66 HydrophobicContact CB-CB 4.11Å; K47-W66 HydrophobicContact CB-CD2 3.96Å; K47-W66 HydrophobicContact CB-CE3 3.8Å; K47-W66 HydrophobicContact CB-CG 4.1Å; K47-W66 HydrophobicContact CD-CD2 4.19Å; K47-W66 HydrophobicContact CD-CE3 3.74Å; K47-W66 HydrophobicContact CD-CH2 4.06Å; K47-W66 HydrophobicContact CD-CZ2 4.46Å; K47-W66 HydrophobicContact CD-CZ3 3.67Å; K47-W66 HydrophobicContact CG-CE3 4.44Å; H48-W66 CarbonylContact C-O 3.35Å; H48-W66 VanDerWaalsContact CA-O 3.3Å; H48-W66 WeakPolarHBondContact CA-O 3.43Å; G49-W66 PolarHBondContact N-O 3.45Å; G49-W66 PolarHBondContact O-N 2.8Å; G51-W66 PolarHBondContact O-NE1 3.32Å; Q53-W66 HydrophobicContact CB-CH2 3.9Å; Q53-W66 HydrophobicContact CB-CZ2 3.45Å; Q53-W66 VanDerWaalsContact CB-CZ2 3.45Å; Q53-W66 HydrophobicContact CG-CH2 4.17Å; Q53-W66 HydrophobicContact CG-CZ2 4.23Å; W55-W66 HydrophobicContact CH2-CH2 4.46Å; W55-W66 HydrophobicContact CZ2-CH2 4.43Å; Y62-W66 AromaticContact CD1-CE2 3.57Å; Y62-W66 HydrophobicContact CD1-CH2 4.32Å; Y62-W66 AromaticContact CD1-CZ2 3.35Å; Y62-W66 HydrophobicContact CD1-CZ2 3.35Å; Y62-W66 AromaticContact CD1-NE1 3.56Å; Y62-W66 HydrophobicContact CE1-CD2 4.37Å; Y62-W66 AromaticContact CE1-CE2 3.59Å; Y62-W66 AromaticContact CE1-CZ2 3.83Å; Y62-W66 HydrophobicContact CE1-CZ2 3.83Å; Y62-W66 AromaticContact CE1-NE1 3.4Å; Y62-W66 HydrophobicContact CG-CZ2 4.28Å; G64-W66 VanDerWaalsContact O-CD1 3.29Å; W66-K70 CarbonylContact C-O 3.54Å; W66-K70 VanDerWaalsContact CA-O 3.28Å; W66-K70 WeakPolarHBondContact CA-O 3.45Å; W66-R71 HydrophobicContact CH2-CG 4.07Å; W66-R71 HydrophobicContact CZ2-CG 4.34Å; W66-R71 HydrophobicContact CZ3-CG 4.17Å
67	K	98	Very high	97.1	Very high	105 Å²	105	57 Å²	57	46%	0.457	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	118.2	172.6	-171.1	171.8	-178.3	175.5	0	109.7	G69 K70 D72	K67-G69 PolarHBondContact O-N 2.87Å; K67-G69 VanDerWaalsContact O-N 3.17Å; K67-K70 PolarHBondContact N-O 2.74Å; K67-K70 PolarHBondContact O-N 2.89Å; K67-D72 HydrophobicContact CB-CB 3.49Å; K67-D72 VanDerWaalsContact CB-CB 3.49Å
68	Y	96.1	Very high	97.5	Very high	119 Å²	119	49.4 Å²	49.4	47%	0.467	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	44.2	178.6	-59.7	-66	0	0	0	114.1	L43 K46 K47	L43-Y68 HydrophobicContact CD2-CE1 4.18Å; K46-Y68 HydrophobicContact CD-CD1 4.4Å; K47-Y68 PolarHBondContact O-N 2.91Å
69	G	95.4	Very high	97.7	Very high	34 Å²	34	47.6 Å²	47.6	35%	0.351	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-2.7	176.2	0	0	0	0	0	115	K47 K67	K47-G69 PolarHBondContact O-N 2.79Å; K67-G69 PolarHBondContact O-N 2.87Å; K67-G69 VanDerWaalsContact O-N 3.17Å
70	K	97.6	Very high	97.7	Very high	109 Å²	109	50.1 Å²	50.1	47%	0.474	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.1	179.1	-60.1	-175.8	-174.5	-177.8	0	110.8	W66 K67 D72 N97	W66-K70 CarbonylContact C-O 3.54Å; W66-K70 VanDerWaalsContact CA-O 3.28Å; W66-K70 WeakPolarHBondContact CA-O 3.45Å; K67-K70 PolarHBondContact N-O 2.74Å; K67-K70 PolarHBondContact O-N 2.89Å; K70-D72 PolarHBondContact O-N 3.18Å; K70-N97 HydrophobicContact CD-CB 4.38Å
71	R	98.2	Very high	97.5	Very high	53 Å²	53	52.6 Å²	52.6	20%	0.2	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	124.3	169.3	-59.3	176.2	-70.7	-165.6	0	108.6	Y62 W66 W95 N97 G98	Y62-R71 HydrophobicContact CD1-CG 4.01Å; Y62-R71 VanDerWaalsContact CD2-CD 3.45Å; Y62-R71 HydrophobicContact CD2-CG 4.09Å; Y62-R71 HydrophobicContact CE1-CB 4.24Å; Y62-R71 HydrophobicContact CE1-CG 3.73Å; Y62-R71 HydrophobicContact CE2-CB 4.14Å; Y62-R71 HydrophobicContact CE2-CG 3.84Å; Y62-R71 HydrophobicContact CG-CG 4.14Å; W66-R71 HydrophobicContact CH2-CG 4.07Å; W66-R71 HydrophobicContact CZ2-CG 4.34Å; W66-R71 HydrophobicContact CZ3-CG 4.17Å; R71-W95 HydrophobicContact CB-CB 4.12Å; R71-W95 HydrophobicContact CB-CD2 4.19Å; R71-W95 HydrophobicContact CB-CE3 4.17Å; R71-W95 HydrophobicContact CB-CG 4.2Å; R71-W95 VanDerWaalsContact NH1-CH2 3.27Å; R71-W95 VanDerWaalsContact NH2-CZ3 3.31Å; R71-N97 PolarHBondContact O-N 3.15Å; R71-G98 PolarHBondContact NH2-O 3.05Å; R71-G98 WeakPolarHBondContact O-CA 3.28Å; R71-G98 PolarHBondContact O-N 2.83Å
72	D	98.3	Very high	97.1	Very high	34 Å²	34	55.3 Å²	55.3	18%	0.182	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	128.5	-174.5	-157.8	-92.5	0	0	0	108.1	E65 K67 K70 W95 K96 N97	E65-D72 CarbonylContact C-O 3.51Å; E65-D72 WeakPolarHBondContact CB-O 2.96Å; E65-D72 PolarHBondContact O-N 2.75Å; K67-D72 HydrophobicContact CB-CB 3.49Å; K67-D72 VanDerWaalsContact CB-CB 3.49Å; K70-D72 PolarHBondContact O-N 3.18Å; D72-W95 WeakPolarHBondContact CA-O 3.44Å; D72-K96 WeakPolarHBondContact OD2-CA 3.34Å; D72-N97 PolarHBondContact OD2-N 2.85Å
73	G	98.1	Very high	96.6	Very high	20 Å²	20	62.6 Å²	62.6	21%	0.206	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.2	-157.1	-167.9	0	0	0	0	0	112.2	Q94 W95	G73-Q94 CarbonylContact O-C 3.59Å; G73-Q94 WeakPolarHBondContact O-CA 3.37Å; G73-W95 PolarHBondContact N-O 2.86Å; G73-W95 WeakPolarHBondContact O-CB 3.27Å; G73-W95 PolarHBondContact O-N 2.79Å
74	Y	98.5	Very high	96.3	Very high	127 Å²	127	61.1 Å²	61.1	50%	0.498	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	141.4	-178.8	-168.9	-93.2	0	0	0	111.7	G64 E65 Q94	G64-Y74 VanDerWaalsContact CA-O 3.31Å; G64-Y74 WeakPolarHBondContact CA-O 3.26Å; E65-Y74 PolarHBondContact N-O 2.87Å; E65-Y74 PolarHBondContact OE1-N 2.96Å; Y74-Q94 HydrophobicContact CD2-CG 4.49Å
75	G	98.4	Very high	95.9	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	155.3	178.6	0	0	0	0	0	115.1	H63 G93 W95	H63-G75 CarbonylContact O-C 3.46Å; H63-G75 WeakPolarHBondContact O-CA 3.35Å; G75-G93 PolarHBondContact N-O 2.83Å; G75-G93 PolarHBondContact O-N 2.94Å; G75-W95 PolarHBondContact O-NE1 2.9Å; G75-W95 VanDerWaalsContact O-NE1 3.1Å
76	T	98.6	Very high	95.6	Very high	31 Å²	31	69.3 Å²	69.3	19%	0.19	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.6	175.9	-58.8	0	0	0	0	109.6	Y62 H63 R89 Y91 C92	Y62-T76 CarbonylContact C-O 3.54Å; Y62-T76 WeakPolarHBondContact CA-O 3.48Å; H63-T76 PolarHBondContact N-O 2.9Å; H63-T76 PolarHBondContact O-N 3.07Å; T76-R89 HydrophobicContact CG2-CG 4.12Å; T76-Y91 CarbonylContact C-O 3.23Å; T76-Y91 WeakPolarHBondContact CA-O 3.27Å; T76-C92 WeakPolarHBondContact CG2-SG 3.41Å; T76-C92 PolarHBondContact OG1-SG 2.76Å
77	Y	98.3	Very high	95.4	Very high	61 Å²	61	73.6 Å²	73.6	24%	0.239	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.7	171.6	-178.9	-103.1	0	0	0	109.5	W55 A60 V61 V79 K90 Y91	W55-Y77 HydrophobicContact CE3-CE2 4.46Å; W55-Y77 HydrophobicContact CZ3-CD2 4.27Å; W55-Y77 AromaticContact CZ3-CE2 3.96Å; W55-Y77 HydrophobicContact CZ3-CE2 3.96Å; A60-Y77 HydrophobicContact CB-CE2 3.87Å; A60-Y77 WeakPolarHBondContact CB-OH 3.37Å; V61-Y77 WeakPolarHBondContact O-CA 3.32Å; Y77-V79 HydrophobicContact CD1-CG1 4.35Å; Y77-V79 HydrophobicContact CE1-CG1 3.53Å; Y77-K90 HydrophobicContact CD1-CB 4.01Å; Y77-K90 HydrophobicContact CE1-CB 4.48Å; Y77-K90 PolarHBondContact O-N 3.49Å; Y77-Y91 PolarHBondContact N-O 3.04Å; Y77-Y91 PolarHBondContact O-N 3.28Å
78	S	97.8	Very high	95.2	Very high	22 Å²	22	70.2 Å²	70.2	15%	0.154	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.9	-179.4	-57.4	0	0	0	0	110.3	A60 V61 A88	A60-S78 CarbonylContact C-O 3.6Å; A60-S78 WeakPolarHBondContact CA-O 3.5Å; V61-S78 PolarHBondContact N-O 2.94Å; V61-S78 PolarHBondContact O-N 2.83Å; S78-A88 CarbonylContact C-O 3.48Å; S78-A88 WeakPolarHBondContact CA-O 2.78Å; S78-A88 WeakPolarHBondContact CB-O 3.49Å
79	V	96.7	Very high	95.2	Very high	35 Å²	35	71.2 Å²	71.2	21%	0.212	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.8	175.9	-56.9	0	0	0	0	109.6	G59 Y77 Y87 A88 K90	G59-V79 CarbonylContact O-C 3.25Å; G59-V79 WeakPolarHBondContact O-CA 3.47Å; Y77-V79 HydrophobicContact CD1-CG1 4.35Å; Y77-V79 HydrophobicContact CE1-CG1 3.53Å; V79-Y87 CarbonylContact O-C 3.49Å; V79-Y87 WeakPolarHBondContact O-CA 3.28Å; V79-A88 PolarHBondContact N-O 3.4Å; V79-A88 PolarHBondContact O-N 3.17Å; V79-K90 HydrophobicContact CB-CG 4.22Å; V79-K90 HydrophobicContact CG1-CG 3.84Å; V79-K90 HydrophobicContact CG2-CD 4.11Å; V79-K90 HydrophobicContact CG2-CG 3.46Å; V79-K90 VanDerWaalsContact CG2-CG 3.46Å
80	Q	95.4	Very high	95.3	Very high	61 Å²	61	72.1 Å²	72.1	29%	0.285	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.1	178.3	-168.3	173.6	41.2	0	0	109.3	G59 P82 K85 E86 Y87	G59-Q80 VanDerWaalsContact O-CB 3.31Å; G59-Q80 WeakPolarHBondContact O-CB 3.47Å; G59-Q80 PolarHBondContact O-N 3.26Å; Q80-P82 WeakPolarHBondContact O-CD 3.42Å; Q80-K85 WeakPolarHBondContact CG-O 3.42Å; Q80-K85 PolarHBondContact NE2-O 3.19Å; Q80-E86 CarbonylContact C-O 3.57Å; Q80-E86 VanDerWaalsContact CA-O 3.3Å; Q80-E86 WeakPolarHBondContact CA-O 3.48Å; Q80-Y87 HydrophobicContact CB-CD1 4.09Å; Q80-Y87 HydrophobicContact CB-CE1 3.78Å; Q80-Y87 HydrophobicContact CG-CE1 4.49Å
81	I	92.6	Very high	95.4	Very high	54 Å²	54	67 Å²	67	28%	0.277	33%	0.325	S	S	.	.			trans	-76.8	120.1	171.9	-56.2	174.7	0	0	0	107.2	E83 K85 E86 A88	I81-E83 VanDerWaalsContact C-N 3.25Å; I81-E83 HydrophobicContact CG2-CB 4.47Å; I81-E83 WeakPolarHBondContact CG2-OE2 3.38Å; I81-E83 PolarHBondContact O-N 3.31Å; I81-K85 VanDerWaalsContact O-CA 3.29Å; I81-K85 WeakPolarHBondContact O-CA 3.35Å; I81-K85 PolarHBondContact O-N 3.43Å; I81-E86 PolarHBondContact N-O 3.4Å; I81-A88 HydrophobicContact CD1-CB 4.01Å; I81-A88 HydrophobicContact CG1-CB 3.92Å
82	P	88.6	Confident	95.4	Very high	85 Å²	85	64.9 Å²	64.9	55%	0.552	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-37	-175.7	-28	35.9	0	0	0	114.3	Q80 K85	Q80-P82 WeakPolarHBondContact O-CD 3.42Å; P82-K85 WeakPolarHBondContact O-CE 3.36Å; P82-K85 PolarHBondContact O-NZ 2.94Å
83	E	89.3	Confident	95.4	Very high	153 Å²	153	63.3 Å²	63.3	72%	0.715	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-50.1	-173.9	-61.3	69	-147.3	0	0	112.1	I81	I81-E83 VanDerWaalsContact C-N 3.25Å; I81-E83 HydrophobicContact CG2-CB 4.47Å; I81-E83 WeakPolarHBondContact CG2-OE2 3.38Å; I81-E83 PolarHBondContact O-N 3.31Å
84	T	91.3	Very high	95.4	Very high	77 Å²	77	66.8 Å²	66.8	47%	0.472	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-14.3	-174.5	64.8	0	0	0	0	113.3	E86	T84-E86 PolarHBondContact O-N 2.65Å; T84-E86 VanDerWaalsContact O-N 3.12Å; T84-E86 WeakPolarHBondContact OG1-CB 3.47Å; T84-E86 PolarHBondContact OG1-N 2.9Å
85	K	90	Very high	95.4	Very high	129 Å²	129	61.3 Å²	61.3	56%	0.561	30%	0.299	S	S	*	.			trans	60.9	7	-169.6	-55.5	-58.2	-177.2	-156.4	0	114.7	Q80 I81 P82	Q80-K85 WeakPolarHBondContact CG-O 3.42Å; Q80-K85 PolarHBondContact NE2-O 3.19Å; I81-K85 VanDerWaalsContact O-CA 3.29Å; I81-K85 WeakPolarHBondContact O-CA 3.35Å; I81-K85 PolarHBondContact O-N 3.43Å; P82-K85 WeakPolarHBondContact O-CE 3.36Å; P82-K85 PolarHBondContact O-NZ 2.94Å
86	E	92.4	Very high	95.4	Very high	133 Å²	133	66.3 Å²	66.3	62%	0.621	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-77.5	162.7	173.2	-61.7	-176.8	165	0	0	111.2	Q80 I81 T84	Q80-E86 CarbonylContact C-O 3.57Å; Q80-E86 VanDerWaalsContact CA-O 3.3Å; Q80-E86 WeakPolarHBondContact CA-O 3.48Å; I81-E86 PolarHBondContact N-O 3.4Å; T84-E86 PolarHBondContact O-N 2.65Å; T84-E86 VanDerWaalsContact O-N 3.12Å; T84-E86 WeakPolarHBondContact OG1-CB 3.47Å; T84-E86 PolarHBondContact OG1-N 2.9Å
87	Y	93.1	Very high	95.4	Very high	103 Å²	103	69.5 Å²	69.5	40%	0.404	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.2	177.7	-76	-90.5	0	0	0	111	V61 V79 Q80	V61-Y87 HydrophobicContact CB-CD1 4.38Å; V61-Y87 HydrophobicContact CB-CE1 4.26Å; V61-Y87 HydrophobicContact CG2-CD1 3.97Å; V61-Y87 HydrophobicContact CG2-CE1 3.45Å; V61-Y87 VanDerWaalsContact CG2-CE1 3.45Å; V79-Y87 CarbonylContact O-C 3.49Å; V79-Y87 WeakPolarHBondContact O-CA 3.28Å; Q80-Y87 HydrophobicContact CB-CD1 4.09Å; Q80-Y87 HydrophobicContact CB-CE1 3.78Å; Q80-Y87 HydrophobicContact CG-CE1 4.49Å
88	A	95.1	Very high	95.3	Very high	33 Å²	33	67.4 Å²	67.4	27%	0.273	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.4	169.4	0	0	0	0	0	110.5	S78 V79 I81 K90	S78-A88 CarbonylContact C-O 3.48Å; S78-A88 WeakPolarHBondContact CA-O 2.78Å; S78-A88 WeakPolarHBondContact CB-O 3.49Å; V79-A88 PolarHBondContact N-O 3.4Å; V79-A88 PolarHBondContact O-N 3.17Å; I81-A88 HydrophobicContact CD1-CB 4.01Å; I81-A88 HydrophobicContact CG1-CB 3.92Å; A88-K90 PolarHBondContact O-N 2.98Å
89	R	95.9	Very high	95.3	Very high	140 Å²	140	70.4 Å²	70.4	53%	0.528	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.9	169.6	179.9	-174.3	-71.2	174.2	6.6	109.3	T76 C92 F107	T76-R89 HydrophobicContact CG2-CG 4.12Å; R89-C92 WeakPolarHBondContact CD-SG 2.95Å; R89-C92 PolarHBondContact NE-SG 2.91Å; R89-F107 HydrophobicContact CB-CD2 4.5Å; R89-F107 HydrophobicContact CG-CD2 3.87Å; R89-F107 HydrophobicContact CG-CE2 3.78Å; R89-F107 WeakPolarHBondContact O-CB 3.3Å
90	K	97.4	Very high	95.4	Very high	53 Å²	53	70.1 Å²	70.1	23%	0.23	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-33.8	174.4	-77.8	-63.6	-170.7	-173.5	0	112.9	Y77 V79 A88 Y106 F107 F108	Y77-K90 HydrophobicContact CD1-CB 4.01Å; Y77-K90 HydrophobicContact CE1-CB 4.48Å; Y77-K90 PolarHBondContact O-N 3.49Å; V79-K90 HydrophobicContact CB-CG 4.22Å; V79-K90 HydrophobicContact CG1-CG 3.84Å; V79-K90 HydrophobicContact CG2-CD 4.11Å; V79-K90 HydrophobicContact CG2-CG 3.46Å; V79-K90 VanDerWaalsContact CG2-CG 3.46Å; A88-K90 PolarHBondContact O-N 2.98Å; K90-Y106 WeakPolarHBondContact O-CA 3.43Å; K90-Y106 WeakPolarHBondContact O-CD2 3.48Å; K90-F107 WeakPolarHBondContact CD-O 3.41Å; K90-F107 PolarHBondContact O-N 3.34Å; K90-F108 PolarHBondContact NZ-O 2.79Å
91	Y	98.4	Very high	95.6	Very high	1 Å²	1	70.2 Å²	70.2	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.4	176	179.2	-98.4	0	0	0	111.3	T76 Y77 Q94 W95 K100 H101 T105 Y106 W118	T76-Y91 CarbonylContact C-O 3.23Å; T76-Y91 WeakPolarHBondContact CA-O 3.27Å; Y77-Y91 PolarHBondContact N-O 3.04Å; Y77-Y91 PolarHBondContact O-N 3.28Å; Y91-Q94 PolarHBondContact OH-O 3.29Å; Y91-W95 AromaticContact CD1-CE2 3.49Å; Y91-W95 VanDerWaalsContact CD1-CE2 3.49Å; Y91-W95 HydrophobicContact CD1-CH2 4.1Å; Y91-W95 AromaticContact CD1-CZ2 3.27Å; Y91-W95 HydrophobicContact CD1-CZ2 3.27Å; Y91-W95 AromaticContact CD1-NE1 3.55Å; Y91-W95 HydrophobicContact CE1-CD2 4.23Å; Y91-W95 AromaticContact CE1-CE2 3.53Å; Y91-W95 AromaticContact CE1-CZ2 3.79Å; Y91-W95 HydrophobicContact CE1-CZ2 3.79Å; Y91-W95 AromaticContact CE1-NE1 3.4Å; Y91-W95 HydrophobicContact CG-CZ2 4.18Å; Y91-K100 HydrophobicContact CD1-CD 4.11Å; Y91-K100 HydrophobicContact CD1-CG 3.96Å; Y91-K100 HydrophobicContact CD2-CD 3.38Å; Y91-K100 HydrophobicContact CD2-CG 4Å; Y91-K100 HydrophobicContact CE1-CB 4.22Å; Y91-K100 HydrophobicContact CE1-CD 4.21Å; Y91-K100 HydrophobicContact CE1-CG 3.72Å; Y91-K100 HydrophobicContact CE2-CB 4.02Å; Y91-K100 HydrophobicContact CE2-CD 3.52Å; Y91-K100 HydrophobicContact CE2-CG 3.78Å; Y91-K100 HydrophobicContact CG-CD 3.65Å; Y91-K100 HydrophobicContact CG-CG 4.05Å; Y91-H101 PolarHBondContact OH-O 3.36Å; Y91-T105 CarbonylContact C-O 3.59Å; Y91-T105 VanDerWaalsContact CA-O 3.31Å; Y91-T105 WeakPolarHBondContact CA-O 3.41Å; Y91-T105 WeakPolarHBondContact CD2-O 3.31Å; Y91-Y106 HydrophobicContact CD2-CD2 4.14Å; Y91-W118 HydrophobicContact CD2-CZ2 4.38Å; Y91-W118 HydrophobicContact CE2-CD2 4.08Å; Y91-W118 AromaticContact CE2-CE2 3.74Å; Y91-W118 HydrophobicContact CE2-CG 4.31Å; Y91-W118 HydrophobicContact CE2-CZ2 4.18Å; Y91-W118 AromaticContact CE2-NE1 3.72Å
92	C	98.3	Very high	95.8	Very high	9 Å²	9	68.5 Å²	68.5	6%	0.061	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.4	165.4	-76.1	0	0	0	0	108.7	T76 R89 G104 T105	T76-C92 WeakPolarHBondContact CG2-SG 3.41Å; T76-C92 PolarHBondContact OG1-SG 2.76Å; R89-C92 WeakPolarHBondContact CD-SG 2.95Å; R89-C92 PolarHBondContact NE-SG 2.91Å; C92-G104 CarbonylContact O-C 3.46Å; C92-G104 VanDerWaalsContact O-CA 3.23Å; C92-G104 WeakPolarHBondContact O-CA 3.43Å; C92-T105 PolarHBondContact N-O 2.97Å; C92-T105 PolarHBondContact O-N 3.12Å
93	G	98.4	Very high	96.3	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-165.1	178.7	0	0	0	0	0	112.1	G75 W95 Y103	G75-G93 PolarHBondContact N-O 2.83Å; G75-G93 PolarHBondContact O-N 2.94Å; G93-W95 VanDerWaalsContact O-CD1 3.24Å; G93-Y103 WeakPolarHBondContact CA-O 3.31Å
94	Q	98.6	Very high	96.7	Very high	94 Å²	94	62 Å²	62	44%	0.439	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	151.3	177.4	-53.1	170.1	-82.5	0	0	110.8	G73 Y74 Y91 H101 Y103	G73-Q94 CarbonylContact O-C 3.59Å; G73-Q94 WeakPolarHBondContact O-CA 3.37Å; Y74-Q94 HydrophobicContact CD2-CG 4.49Å; Y91-Q94 PolarHBondContact OH-O 3.29Å; Q94-H101 CarbonylContact C-O 3.6Å; Q94-H101 VanDerWaalsContact C-O 3.23Å; Q94-H101 WeakPolarHBondContact CA-O 3.19Å; Q94-H101 WeakPolarHBondContact CB-O 3.47Å; Q94-H101 PolarHBondContact O-N 2.79Å; Q94-Y103 PolarHBondContact N-O 2.84Å; Q94-Y103 VanDerWaalsContact N-O 3.12Å
95	W	98.6	Very high	97.1	Very high	11 Å²	11	59.8 Å²	59.8	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.8	178.2	-64.5	81.7	0	0	0	108.5	Y62 R71 D72 G73 G75 Y91 G93 K99 K100	Y62-W95 HydrophobicContact CD2-CZ2 4.37Å; Y62-W95 AromaticContact CE2-CD1 3.93Å; Y62-W95 HydrophobicContact CE2-CD2 4.21Å; Y62-W95 AromaticContact CE2-CE2 3.73Å; Y62-W95 HydrophobicContact CE2-CG 4.31Å; Y62-W95 HydrophobicContact CE2-CZ2 4.18Å; Y62-W95 AromaticContact CE2-NE1 3.58Å; R71-W95 HydrophobicContact CB-CB 4.12Å; R71-W95 HydrophobicContact CB-CD2 4.19Å; R71-W95 HydrophobicContact CB-CE3 4.17Å; R71-W95 HydrophobicContact CB-CG 4.2Å; R71-W95 VanDerWaalsContact NH1-CH2 3.27Å; R71-W95 VanDerWaalsContact NH2-CZ3 3.31Å; D72-W95 WeakPolarHBondContact CA-O 3.44Å; G73-W95 PolarHBondContact N-O 2.86Å; G73-W95 WeakPolarHBondContact O-CB 3.27Å; G73-W95 PolarHBondContact O-N 2.79Å; G75-W95 PolarHBondContact O-NE1 2.9Å; G75-W95 VanDerWaalsContact O-NE1 3.1Å; Y91-W95 AromaticContact CD1-CE2 3.49Å; Y91-W95 VanDerWaalsContact CD1-CE2 3.49Å; Y91-W95 HydrophobicContact CD1-CH2 4.1Å; Y91-W95 AromaticContact CD1-CZ2 3.27Å; Y91-W95 HydrophobicContact CD1-CZ2 3.27Å; Y91-W95 AromaticContact CD1-NE1 3.55Å; Y91-W95 HydrophobicContact CE1-CD2 4.23Å; Y91-W95 AromaticContact CE1-CE2 3.53Å; Y91-W95 AromaticContact CE1-CZ2 3.79Å; Y91-W95 HydrophobicContact CE1-CZ2 3.79Å; Y91-W95 AromaticContact CE1-NE1 3.4Å; Y91-W95 HydrophobicContact CG-CZ2 4.18Å; G93-W95 VanDerWaalsContact O-CD1 3.24Å; W95-K99 CarbonylContact C-O 3.55Å; W95-K99 VanDerWaalsContact CA-O 3.28Å; W95-K99 WeakPolarHBondContact CA-O 3.44Å; W95-K100 HydrophobicContact CE3-CG 4.22Å; W95-K100 HydrophobicContact CH2-CG 3.83Å; W95-K100 HydrophobicContact CZ2-CG 4.32Å; W95-K100 HydrophobicContact CZ3-CG 3.76Å
96	K	98.6	Very high	97.5	Very high	106 Å²	106	56.3 Å²	56.3	46%	0.461	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	124.7	173.7	-171	173.7	-178.3	178.4	0	108.9	D72 G98 K99 H101	D72-K96 WeakPolarHBondContact OD2-CA 3.34Å; K96-G98 PolarHBondContact O-N 2.72Å; K96-G98 VanDerWaalsContact O-N 3.07Å; K96-K99 PolarHBondContact N-O 3.48Å; K96-K99 PolarHBondContact O-N 3.29Å; K96-H101 HydrophobicContact CB-CB 3.73Å
97	N	97.5	Very high	97.7	Very high	99 Å²	99	52.5 Å²	52.5	53%	0.529	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.5	179.3	-68.6	-49.4	0	0	0	114.9	K70 R71 D72	K70-N97 HydrophobicContact CD-CB 4.38Å; R71-N97 PolarHBondContact O-N 3.15Å; D72-N97 PolarHBondContact OD2-N 2.85Å
98	G	97.3	Very high	97.7	Very high	17 Å²	17	51.4 Å²	51.4	18%	0.175	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-5.1	178.6	0	0	0	0	0	115.6	R71 K96	R71-G98 PolarHBondContact NH2-O 3.05Å; R71-G98 WeakPolarHBondContact O-CA 3.28Å; R71-G98 PolarHBondContact O-N 2.83Å; K96-G98 PolarHBondContact O-N 2.72Å; K96-G98 VanDerWaalsContact O-N 3.07Å
99	K	98.3	Very high	97.4	Very high	85 Å²	85	52.2 Å²	52.2	37%	0.37	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	152.8	179.1	-56.6	-171.3	-174.3	174	0	111.7	W95 K96 D120 D121	W95-K99 CarbonylContact C-O 3.55Å; W95-K99 VanDerWaalsContact CA-O 3.28Å; W95-K99 WeakPolarHBondContact CA-O 3.44Å; K96-K99 PolarHBondContact N-O 3.48Å; K96-K99 PolarHBondContact O-N 3.29Å; K99-D120 HydrophobicContact CD-CB 4.13Å; K99-D120 WeakPolarHBondContact CD-OD1 3.25Å; K99-D120 IonicContact NZ-OD1 3.41Å; K99-D120 PolarHBondContact NZ-OD1 3.04Å; K99-D121 WeakPolarHBondContact CB-OD2 3.36Å; K99-D121 VanDerWaalsContact CG-OD2 3.3Å; K99-D121 WeakPolarHBondContact CG-OD2 3.44Å
100	K	98.5	Very high	96.7	Very high	29 Å²	29	51.7 Å²	51.7	13%	0.126	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	134.5	170.6	-62.5	176.2	-90.2	172.7	0	109.4	Y91 W95 Y106 W118 D120 D121	Y91-K100 HydrophobicContact CD1-CD 4.11Å; Y91-K100 HydrophobicContact CD1-CG 3.96Å; Y91-K100 HydrophobicContact CD2-CD 3.38Å; Y91-K100 HydrophobicContact CD2-CG 4Å; Y91-K100 HydrophobicContact CE1-CB 4.22Å; Y91-K100 HydrophobicContact CE1-CD 4.21Å; Y91-K100 HydrophobicContact CE1-CG 3.72Å; Y91-K100 HydrophobicContact CE2-CB 4.02Å; Y91-K100 HydrophobicContact CE2-CD 3.52Å; Y91-K100 HydrophobicContact CE2-CG 3.78Å; Y91-K100 HydrophobicContact CG-CD 3.65Å; Y91-K100 HydrophobicContact CG-CG 4.05Å; W95-K100 HydrophobicContact CE3-CG 4.22Å; W95-K100 HydrophobicContact CH2-CG 3.83Å; W95-K100 HydrophobicContact CZ2-CG 4.32Å; W95-K100 HydrophobicContact CZ3-CG 3.76Å; K100-Y106 HydrophobicContact CD-CD2 4.37Å; K100-W118 HydrophobicContact CB-CB 4.36Å; K100-W118 HydrophobicContact CB-CD2 4.08Å; K100-W118 HydrophobicContact CB-CE3 3.79Å; K100-W118 HydrophobicContact CB-CG 4.34Å; K100-W118 HydrophobicContact CB-CZ3 4.48Å; K100-W118 HydrophobicContact CD-CD2 4.44Å; K100-W118 HydrophobicContact CD-CE3 3.97Å; K100-W118 HydrophobicContact CD-CH2 4.2Å; K100-W118 HydrophobicContact CD-CZ3 3.83Å; K100-D120 PolarHBondContact O-N 2.92Å; K100-D121 WeakPolarHBondContact CB-OD1 3.49Å; K100-D121 WeakPolarHBondContact CE-OD1 3.31Å; K100-D121 WeakPolarHBondContact CG-OD1 3.4Å; K100-D121 PolarHBondContact N-OD1 3.46Å; K100-D121 PolarHBondContact O-N 2.84Å
101	H	98.4	Very high	96.3	Very high	63 Å²	63	52 Å²	52	29%	0.292	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	164.3	-175.4	-166.9	59.3	0	0	0	109.8	Y91 Q94 K96 W118	Y91-H101 PolarHBondContact OH-O 3.36Å; Q94-H101 CarbonylContact C-O 3.6Å; Q94-H101 VanDerWaalsContact C-O 3.23Å; Q94-H101 WeakPolarHBondContact CA-O 3.19Å; Q94-H101 WeakPolarHBondContact CB-O 3.47Å; Q94-H101 PolarHBondContact O-N 2.79Å; K96-H101 HydrophobicContact CB-CB 3.73Å; H101-W118 CarbonylContact C-O 3.53Å; H101-W118 VanDerWaalsContact CA-O 3.27Å; H101-W118 WeakPolarHBondContact CA-O 3.38Å; H101-W118 PolarHBondContact ND1-O 3.1Å
102	G	98.3	Very high	96.2	Very high	18 Å²	18	52.1 Å²	52.1	19%	0.186	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	60	-150.6	177.3	0	0	0	0	0	112.2	E117 W118	G102-E117 CarbonylContact O-C 3.46Å; G102-E117 WeakPolarHBondContact O-CA 3.36Å; G102-W118 PolarHBondContact N-O 3.01Å; G102-W118 WeakPolarHBondContact O-CB 3.22Å; G102-W118 PolarHBondContact O-N 2.82Å
103	Y	98.5	Very high	96.2	Very high	100 Å²	100	53 Å²	53	39%	0.392	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.3	178.8	-161.2	-94.5	0	0	0	111.5	G93 Q94 E115 G116	G93-Y103 WeakPolarHBondContact CA-O 3.31Å; Q94-Y103 PolarHBondContact N-O 2.84Å; Q94-Y103 VanDerWaalsContact N-O 3.12Å; Y103-E115 HydrophobicContact CE1-CG 3.85Å; Y103-E115 VanDerWaalsContact OH-CG 3.28Å; Y103-E115 WeakPolarHBondContact OH-CG 3.42Å; Y103-E115 PolarHBondContact OH-OE1 2.89Å; Y103-G116 WeakPolarHBondContact CA-O 3.21Å
104	G	98.4	Very high	96.2	Very high	1 Å²	1	53 Å²	53	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	156.2	177.3	0	0	0	0	0	114.3	C92 G116 W118	C92-G104 CarbonylContact O-C 3.46Å; C92-G104 VanDerWaalsContact O-CA 3.23Å; C92-G104 WeakPolarHBondContact O-CA 3.43Å; G104-G116 PolarHBondContact N-O 2.7Å; G104-G116 PolarHBondContact O-N 2.81Å; G104-G116 VanDerWaalsContact O-N 3.1Å; G104-W118 PolarHBondContact O-NE1 2.95Å
105	T	98.6	Very high	96.2	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.184	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127	175.3	-44.6	0	0	0	0	109.8	Y91 C92 F107 V113 Y114 E115	Y91-T105 CarbonylContact C-O 3.59Å; Y91-T105 VanDerWaalsContact CA-O 3.31Å; Y91-T105 WeakPolarHBondContact CA-O 3.41Å; Y91-T105 WeakPolarHBondContact CD2-O 3.31Å; C92-T105 PolarHBondContact N-O 2.97Å; C92-T105 PolarHBondContact O-N 3.12Å; T105-F107 HydrophobicContact CG2-CD2 4.44Å; T105-F107 HydrophobicContact CG2-CE1 4.13Å; T105-F107 HydrophobicContact CG2-CE2 3.72Å; T105-F107 HydrophobicContact CG2-CZ 3.54Å; T105-V113 HydrophobicContact CG2-CG1 3.5Å; T105-Y114 CarbonylContact C-O 3.44Å; T105-Y114 VanDerWaalsContact CA-O 3.22Å; T105-Y114 WeakPolarHBondContact CA-O 3.42Å; T105-E115 HydrophobicContact CG2-CB 4.45Å
106	Y	98.4	Very high	96.2	Very high	57 Å²	57	50.9 Å²	50.9	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.6	174.3	-173.1	-88.3	0	0	0	110.6	K90 Y91 K100 F108 V113 Y114 W118	K90-Y106 WeakPolarHBondContact O-CA 3.43Å; K90-Y106 WeakPolarHBondContact O-CD2 3.48Å; Y91-Y106 HydrophobicContact CD2-CD2 4.14Å; K100-Y106 HydrophobicContact CD-CD2 4.37Å; Y106-F108 AromaticContact CD1-CD1 3.99Å; Y106-F108 HydrophobicContact CD1-CD1 3.99Å; Y106-F108 AromaticContact CD1-CD2 3.75Å; Y106-F108 HydrophobicContact CD1-CD2 3.75Å; Y106-F108 AromaticContact CD1-CE1 3.85Å; Y106-F108 HydrophobicContact CD1-CE1 3.85Å; Y106-F108 AromaticContact CD1-CE2 3.62Å; Y106-F108 HydrophobicContact CD1-CE2 3.62Å; Y106-F108 AromaticContact CD1-CG 3.93Å; Y106-F108 HydrophobicContact CD1-CG 3.93Å; Y106-F108 AromaticContact CD1-CZ 3.66Å; Y106-F108 HydrophobicContact CD1-CZ 3.66Å; Y106-F108 AromaticContact CE1-CD1 3.56Å; Y106-F108 HydrophobicContact CE1-CD1 3.56Å; Y106-F108 HydrophobicContact CE1-CD2 4.15Å; Y106-F108 AromaticContact CE1-CE1 3.61Å; Y106-F108 HydrophobicContact CE1-CE1 3.61Å; Y106-F108 HydrophobicContact CE1-CE2 4.2Å; Y106-F108 AromaticContact CE1-CG 3.83Å; Y106-F108 HydrophobicContact CE1-CG 3.83Å; Y106-F108 AromaticContact CE1-CZ 3.94Å; Y106-F108 HydrophobicContact CE1-CZ 3.94Å; Y106-V113 WeakPolarHBondContact O-CA 3.44Å; Y106-Y114 PolarHBondContact N-O 3.49Å; Y106-Y114 PolarHBondContact O-N 2.93Å; Y106-W118 HydrophobicContact CD2-CH2 4.07Å; Y106-W118 HydrophobicContact CD2-CZ2 4.45Å; Y106-W118 AromaticContact CG-CH2 3.93Å; Y106-W118 HydrophobicContact CG-CH2 3.93Å; Y106-W118 HydrophobicContact CG-CZ2 4.1Å
107	F	97.3	Very high	96.2	Very high	52 Å²	52	50.1 Å²	50.1	23%	0.228	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	107.8	-177.4	-57.6	-94.3	0	0	0	108.1	R89 K90 T105 V113	R89-F107 HydrophobicContact CB-CD2 4.5Å; R89-F107 HydrophobicContact CG-CD2 3.87Å; R89-F107 HydrophobicContact CG-CE2 3.78Å; R89-F107 WeakPolarHBondContact O-CB 3.3Å; K90-F107 WeakPolarHBondContact CD-O 3.41Å; K90-F107 PolarHBondContact O-N 3.34Å; T105-F107 HydrophobicContact CG2-CD2 4.44Å; T105-F107 HydrophobicContact CG2-CE1 4.13Å; T105-F107 HydrophobicContact CG2-CE2 3.72Å; T105-F107 HydrophobicContact CG2-CZ 3.54Å; F107-V113 HydrophobicContact CD1-CG1 4.29Å; F107-V113 HydrophobicContact CD1-CG2 3.92Å; F107-V113 HydrophobicContact CE1-CG1 4.25Å; F107-V113 HydrophobicContact CE1-CG2 4.32Å
108	F	93.7	Very high	96.3	Very high	81 Å²	81	45.7 Å²	45.7	36%	0.355	24%	0.241	S	C	.	.	S	Bend	trans	-72.4	-49.7	178.2	-69	-89.7	0	0	0	109.7	K90 Y106 A112 H123 M129	K90-F108 PolarHBondContact NZ-O 2.79Å; Y106-F108 AromaticContact CD1-CD1 3.99Å; Y106-F108 HydrophobicContact CD1-CD1 3.99Å; Y106-F108 AromaticContact CD1-CD2 3.75Å; Y106-F108 HydrophobicContact CD1-CD2 3.75Å; Y106-F108 AromaticContact CD1-CE1 3.85Å; Y106-F108 HydrophobicContact CD1-CE1 3.85Å; Y106-F108 AromaticContact CD1-CE2 3.62Å; Y106-F108 HydrophobicContact CD1-CE2 3.62Å; Y106-F108 AromaticContact CD1-CG 3.93Å; Y106-F108 HydrophobicContact CD1-CG 3.93Å; Y106-F108 AromaticContact CD1-CZ 3.66Å; Y106-F108 HydrophobicContact CD1-CZ 3.66Å; Y106-F108 AromaticContact CE1-CD1 3.56Å; Y106-F108 HydrophobicContact CE1-CD1 3.56Å; Y106-F108 HydrophobicContact CE1-CD2 4.15Å; Y106-F108 AromaticContact CE1-CE1 3.61Å; Y106-F108 HydrophobicContact CE1-CE1 3.61Å; Y106-F108 HydrophobicContact CE1-CE2 4.2Å; Y106-F108 AromaticContact CE1-CG 3.83Å; Y106-F108 HydrophobicContact CE1-CG 3.83Å; Y106-F108 AromaticContact CE1-CZ 3.94Å; Y106-F108 HydrophobicContact CE1-CZ 3.94Å; F108-A112 HydrophobicContact CB-CB 4.07Å; F108-A112 HydrophobicContact CD2-CB 4.38Å; F108-A112 PolarHBondContact N-O 2.92Å; F108-H123 AromaticContact CZ-CE1 3.98Å; F108-M129 HydrophobicContact CD2-CE 3.86Å; F108-M129 HydrophobicContact CD2-SD 4.42Å; F108-M129 HydrophobicContact CE2-CE 3.7Å; F108-M129 HydrophobicContact CE2-SD 3.86Å; F108-M129 HydrophobicContact CZ-CE 4.43Å
109	D	87.1	Confident	96.3	Very high	49 Å²	49	46.2 Å²	46.2	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-150.1	-161.6	179.9	54.4	78.8	0	0	0	108.7	S111 A112	D109-S111 VanDerWaalsContact C-N 3.28Å; D109-S111 PolarHBondContact O-N 3.18Å; D109-S111 WeakPolarHBondContact OD1-CA 3.11Å; D109-S111 PolarHBondContact OD1-N 2.95Å; D109-S111 PolarHBondContact OD1-OG 3.21Å; D109-A112 PolarHBondContact OD1-N 3Å; D109-A112 WeakPolarHBondContact OD2-CB 3.5Å
110	S	81.2	Confident	96.3	Very high	129 Å²	129	46.9 Å²	46.9	90%	0.902	25%	0.251	S	S	*	.	S	Bend	trans	-72.4	-17.5	179.7	51.2	0	0	0	0	114.4
111	S	89.9	Confident	96.2	Very high	59 Å²	59	48.2 Å²	48.2	41%	0.413	26%	0.259	S	S	.	.	S	Bend	trans	-119.4	-32.7	-172.4	60.2	0	0	0	0	114.2	D109	D109-S111 VanDerWaalsContact C-N 3.28Å; D109-S111 PolarHBondContact O-N 3.18Å; D109-S111 WeakPolarHBondContact OD1-CA 3.11Å; D109-S111 PolarHBondContact OD1-N 2.95Å; D109-S111 PolarHBondContact OD1-OG 3.21Å
112	A	97.1	Very high	96.2	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	26%	0.26	C	S	.	.			trans	-95.1	126.9	175.5	0	0	0	0	0	113.5	F108 D109 M129 Y130 E132	F108-A112 HydrophobicContact CB-CB 4.07Å; F108-A112 HydrophobicContact CD2-CB 4.38Å; F108-A112 PolarHBondContact N-O 2.92Å; D109-A112 PolarHBondContact OD1-N 3Å; D109-A112 WeakPolarHBondContact OD2-CB 3.5Å; A112-M129 HydrophobicContact CB-CE 4.08Å; A112-Y130 CarbonylContact C-O 3.59Å; A112-Y130 WeakPolarHBondContact CA-O 3.44Å; A112-Y130 WeakPolarHBondContact CB-O 3.21Å; A112-E132 HydrophobicContact CB-CG 3.71Å
113	V	98.1	Very high	96.2	Very high	28 Å²	28	48 Å²	48	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.4	-175.3	-177.6	0	0	0	0	109.4	T105 Y106 F107 Y130	T105-V113 HydrophobicContact CG2-CG1 3.5Å; Y106-V113 WeakPolarHBondContact O-CA 3.44Å; F107-V113 HydrophobicContact CD1-CG1 4.29Å; F107-V113 HydrophobicContact CD1-CG2 3.92Å; F107-V113 HydrophobicContact CE1-CG1 4.25Å; F107-V113 HydrophobicContact CE1-CG2 4.32Å; V113-Y130 HydrophobicContact CB-CD2 4.08Å; V113-Y130 PolarHBondContact N-O 3.23Å; V113-Y130 WeakPolarHBondContact O-CD2 3.43Å; V113-Y130 PolarHBondContact O-N 2.77Å
114	Y	98.5	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.2	166.1	174.6	-93	0	0	0	109.6	T105 Y106 E117 W118 H123 R128 M129 W141	T105-Y114 CarbonylContact C-O 3.44Å; T105-Y114 VanDerWaalsContact CA-O 3.22Å; T105-Y114 WeakPolarHBondContact CA-O 3.42Å; Y106-Y114 PolarHBondContact N-O 3.49Å; Y106-Y114 PolarHBondContact O-N 2.93Å; Y114-E117 PolarHBondContact OH-O 3.4Å; Y114-W118 AromaticContact CD1-CE2 3.67Å; Y114-W118 HydrophobicContact CD1-CH2 4.44Å; Y114-W118 AromaticContact CD1-CZ2 3.43Å; Y114-W118 HydrophobicContact CD1-CZ2 3.43Å; Y114-W118 VanDerWaalsContact CD1-CZ2 3.43Å; Y114-W118 AromaticContact CD1-NE1 3.62Å; Y114-W118 HydrophobicContact CE1-CD2 4.44Å; Y114-W118 AromaticContact CE1-CE2 3.62Å; Y114-W118 AromaticContact CE1-CZ2 3.83Å; Y114-W118 HydrophobicContact CE1-CZ2 3.83Å; Y114-W118 AromaticContact CE1-NE1 3.38Å; Y114-W118 HydrophobicContact CG-CZ2 4.41Å; Y114-H123 AromaticContact CD1-CD2 3.82Å; Y114-H123 AromaticContact CD1-NE2 3.85Å; Y114-H123 AromaticContact CD2-CE1 3.7Å; Y114-H123 AromaticContact CD2-ND1 3.58Å; Y114-H123 HydrophobicContact CE1-CB 4.21Å; Y114-H123 AromaticContact CE1-CD2 3.72Å; Y114-H123 AromaticContact CE1-CG 3.85Å; Y114-H123 HydrophobicContact CE2-CB 3.96Å; Y114-H123 AromaticContact CE2-CG 3.72Å; Y114-H123 AromaticContact CE2-ND1 3.61Å; Y114-H123 AromaticContact CG-CE1 3.65Å; Y114-H123 AromaticContact CG-ND1 3.94Å; Y114-H123 AromaticContact CG-NE2 3.83Å; Y114-H123 AromaticContact CZ-CD2 3.98Å; Y114-H123 AromaticContact CZ-CG 3.6Å; Y114-H123 AromaticContact CZ-ND1 3.99Å; Y114-R128 CarbonylContact C-O 3.46Å; Y114-R128 WeakPolarHBondContact CA-O 2.95Å; Y114-M129 HydrophobicContact CD2-CB 4.35Å; Y114-M129 HydrophobicContact CD2-SD 4.41Å; Y114-W141 HydrophobicContact CD2-CZ2 4.26Å; Y114-W141 AromaticContact CE2-CD2 3.97Å; Y114-W141 HydrophobicContact CE2-CD2 3.97Å; Y114-W141 AromaticContact CE2-CE2 3.68Å; Y114-W141 HydrophobicContact CE2-CG 4.2Å; Y114-W141 HydrophobicContact CE2-CZ2 4.1Å; Y114-W141 AromaticContact CE2-NE1 3.71Å
115	E	98.5	Very high	96.2	Very high	61 Å²	61	45.9 Å²	45.9	29%	0.285	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.3	174	-168.7	-166.7	167.5	0	0	108.8	Y103 T105 G127 R128	Y103-E115 HydrophobicContact CE1-CG 3.85Å; Y103-E115 VanDerWaalsContact OH-CG 3.28Å; Y103-E115 WeakPolarHBondContact OH-CG 3.42Å; Y103-E115 PolarHBondContact OH-OE1 2.89Å; T105-E115 HydrophobicContact CG2-CB 4.45Å; E115-G127 CarbonylContact O-C 3.51Å; E115-G127 WeakPolarHBondContact O-CA 3.48Å; E115-R128 PolarHBondContact N-O 2.93Å; E115-R128 PolarHBondContact O-N 2.91Å
116	G	98.5	Very high	96.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-162.1	-179.1	0	0	0	0	0	113.6	Y103 G104 W126	Y103-G116 WeakPolarHBondContact CA-O 3.21Å; G104-G116 PolarHBondContact N-O 2.7Å; G104-G116 PolarHBondContact O-N 2.81Å; G104-G116 VanDerWaalsContact O-N 3.1Å; G116-W126 WeakPolarHBondContact CA-O 3.29Å
117	E	98.7	Very high	96.2	Very high	91 Å²	91	47.1 Å²	47.1	43%	0.425	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.9	-180	-65.4	-178.2	-100.2	0	0	112.4	G102 Y114 N124 W126	G102-E117 CarbonylContact O-C 3.46Å; G102-E117 WeakPolarHBondContact O-CA 3.36Å; Y114-E117 PolarHBondContact OH-O 3.4Å; E117-N124 CarbonylContact C-O 3.14Å; E117-N124 VanDerWaalsContact C-O 3.25Å; E117-N124 WeakPolarHBondContact CB-O 3.23Å; E117-N124 PolarHBondContact O-N 3.03Å; E117-N124 VanDerWaalsContact O-N 3.15Å; E117-W126 PolarHBondContact N-O 2.84Å; E117-W126 PolarHBondContact OE1-N 2.79Å
118	W	98.6	Very high	96.2	Very high	6 Å²	6	48.2 Å²	48.2	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.2	-179.4	-66.8	78.5	0	0	0	110.6	Y91 K100 H101 G102 G104 Y106 Y114 D121 Q122 H123	Y91-W118 HydrophobicContact CD2-CZ2 4.38Å; Y91-W118 HydrophobicContact CE2-CD2 4.08Å; Y91-W118 AromaticContact CE2-CE2 3.74Å; Y91-W118 HydrophobicContact CE2-CG 4.31Å; Y91-W118 HydrophobicContact CE2-CZ2 4.18Å; Y91-W118 AromaticContact CE2-NE1 3.72Å; K100-W118 HydrophobicContact CB-CB 4.36Å; K100-W118 HydrophobicContact CB-CD2 4.08Å; K100-W118 HydrophobicContact CB-CE3 3.79Å; K100-W118 HydrophobicContact CB-CG 4.34Å; K100-W118 HydrophobicContact CB-CZ3 4.48Å; K100-W118 HydrophobicContact CD-CD2 4.44Å; K100-W118 HydrophobicContact CD-CE3 3.97Å; K100-W118 HydrophobicContact CD-CH2 4.2Å; K100-W118 HydrophobicContact CD-CZ3 3.83Å; H101-W118 CarbonylContact C-O 3.53Å; H101-W118 VanDerWaalsContact CA-O 3.27Å; H101-W118 WeakPolarHBondContact CA-O 3.38Å; H101-W118 PolarHBondContact ND1-O 3.1Å; G102-W118 PolarHBondContact N-O 3.01Å; G102-W118 WeakPolarHBondContact O-CB 3.22Å; G102-W118 PolarHBondContact O-N 2.82Å; G104-W118 PolarHBondContact O-NE1 2.95Å; Y106-W118 HydrophobicContact CD2-CH2 4.07Å; Y106-W118 HydrophobicContact CD2-CZ2 4.45Å; Y106-W118 AromaticContact CG-CH2 3.93Å; Y106-W118 HydrophobicContact CG-CH2 3.93Å; Y106-W118 HydrophobicContact CG-CZ2 4.1Å; Y114-W118 AromaticContact CD1-CE2 3.67Å; Y114-W118 HydrophobicContact CD1-CH2 4.44Å; Y114-W118 AromaticContact CD1-CZ2 3.43Å; Y114-W118 HydrophobicContact CD1-CZ2 3.43Å; Y114-W118 VanDerWaalsContact CD1-CZ2 3.43Å; Y114-W118 AromaticContact CD1-NE1 3.62Å; Y114-W118 HydrophobicContact CE1-CD2 4.44Å; Y114-W118 AromaticContact CE1-CE2 3.62Å; Y114-W118 AromaticContact CE1-CZ2 3.83Å; Y114-W118 HydrophobicContact CE1-CZ2 3.83Å; Y114-W118 AromaticContact CE1-NE1 3.38Å; Y114-W118 HydrophobicContact CG-CZ2 4.41Å; W118-D121 WeakPolarHBondContact CZ3-O 3.46Å; W118-Q122 CarbonylContact C-O 3.49Å; W118-Q122 VanDerWaalsContact CA-O 3.27Å; W118-Q122 WeakPolarHBondContact CA-O 3.43Å; W118-H123 AromaticContact CE2-CD2 3.98Å; W118-H123 AromaticContact CE3-CD2 3.9Å; W118-H123 AromaticContact CH2-CD2 3.21Å; W118-H123 WeakPolarHBondContact CH2-CD2 3.48Å; W118-H123 AromaticContact CH2-NE2 3.11Å; W118-H123 WeakPolarHBondContact CH2-NE2 3.47Å; W118-H123 AromaticContact CZ2-CD2 3.5Å; W118-H123 VanDerWaalsContact CZ2-CD2 3.5Å; W118-H123 WeakPolarHBondContact CZ2-CD2 3.23Å; W118-H123 AromaticContact CZ2-NE2 3.54Å; W118-H123 AromaticContact CZ3-CD2 3.42Å; W118-H123 VanDerWaalsContact CZ3-CD2 3.42Å; W118-H123 WeakPolarHBondContact CZ3-CD2 3.38Å; W118-H123 AromaticContact CZ3-NE2 3.74Å
119	A	98.3	Very high	96.5	Very high	28 Å²	28	45.1 Å²	45.1	23%	0.231	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.1	166.8	0	0	0	0	0	109.8	D121 Q122 N124	A119-D121 PolarHBondContact O-N 3.47Å; A119-Q122 PolarHBondContact N-O 2.91Å; A119-Q122 WeakPolarHBondContact O-CA 3.15Å; A119-Q122 WeakPolarHBondContact O-CB 3.35Å; A119-Q122 PolarHBondContact O-N 2.84Å; A119-N124 HydrophobicContact CB-CB 3.82Å; A119-N124 PolarHBondContact O-ND2 3.46Å
120	D	97.1	Very high	97	Very high	98 Å²	98	46.1 Å²	46.1	52%	0.524	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	47.6	176.2	-76.4	-68.3	0	0	0	114.5	K99 K100 Q122	K99-D120 HydrophobicContact CD-CB 4.13Å; K99-D120 WeakPolarHBondContact CD-OD1 3.25Å; K99-D120 IonicContact NZ-OD1 3.41Å; K99-D120 PolarHBondContact NZ-OD1 3.04Å; K100-D120 PolarHBondContact O-N 2.92Å; D120-Q122 PolarHBondContact O-N 2.82Å
121	D	98	Very high	97.7	Very high	57 Å²	57	43.8 Å²	43.8	31%	0.305	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	5.5	-174.6	-73.4	-47.3	0	0	0	115.8	K99 K100 W118 A119 H144	K99-D121 WeakPolarHBondContact CB-OD2 3.36Å; K99-D121 VanDerWaalsContact CG-OD2 3.3Å; K99-D121 WeakPolarHBondContact CG-OD2 3.44Å; K100-D121 WeakPolarHBondContact CB-OD1 3.49Å; K100-D121 WeakPolarHBondContact CE-OD1 3.31Å; K100-D121 WeakPolarHBondContact CG-OD1 3.4Å; K100-D121 PolarHBondContact N-OD1 3.46Å; K100-D121 PolarHBondContact O-N 2.84Å; W118-D121 WeakPolarHBondContact CZ3-O 3.46Å; A119-D121 PolarHBondContact O-N 3.47Å; D121-H144 PolarHBondContact O-CE1 2.98Å; D121-H144 VanDerWaalsContact O-CE1 3.29Å; D121-H144 PolarHBondContact O-NE2 3.09Å
122	Q	98.1	Very high	98.1	Very high	68 Å²	68	47.4 Å²	47.4	32%	0.318	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.1	-177.3	-53.9	-178.8	-0.7	0	0	113.4	W118 A119 D120 N124 N143 H144	W118-Q122 CarbonylContact C-O 3.49Å; W118-Q122 VanDerWaalsContact CA-O 3.27Å; W118-Q122 WeakPolarHBondContact CA-O 3.43Å; A119-Q122 PolarHBondContact N-O 2.91Å; A119-Q122 WeakPolarHBondContact O-CA 3.15Å; A119-Q122 WeakPolarHBondContact O-CB 3.35Å; A119-Q122 PolarHBondContact O-N 2.84Å; D120-Q122 PolarHBondContact O-N 2.82Å; Q122-N124 VanDerWaalsContact CB-ND2 3.35Å; Q122-N124 WeakPolarHBondContact CB-ND2 3.3Å; Q122-N124 PolarHBondContact O-N 3.1Å; Q122-N143 PolarHBondContact OE1-OD1 2.99Å; Q122-H144 VanDerWaalsContact CA-CE1 3.42Å; Q122-H144 WeakPolarHBondContact CA-CE1 3.35Å; Q122-H144 WeakPolarHBondContact CA-NE2 3.28Å; Q122-H144 WeakPolarHBondContact CG-NE2 3.42Å
123	H	97.8	Very high	98	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121.7	169.6	-49.4	168.9	0	0	0	107.9	F108 Y114 W118 W141 N143 H144	F108-H123 AromaticContact CZ-CE1 3.98Å; Y114-H123 AromaticContact CD1-CD2 3.82Å; Y114-H123 AromaticContact CD1-NE2 3.85Å; Y114-H123 AromaticContact CD2-CE1 3.7Å; Y114-H123 AromaticContact CD2-ND1 3.58Å; Y114-H123 HydrophobicContact CE1-CB 4.21Å; Y114-H123 AromaticContact CE1-CD2 3.72Å; Y114-H123 AromaticContact CE1-CG 3.85Å; Y114-H123 HydrophobicContact CE2-CB 3.96Å; Y114-H123 AromaticContact CE2-CG 3.72Å; Y114-H123 AromaticContact CE2-ND1 3.61Å; Y114-H123 AromaticContact CG-CE1 3.65Å; Y114-H123 AromaticContact CG-ND1 3.94Å; Y114-H123 AromaticContact CG-NE2 3.83Å; Y114-H123 AromaticContact CZ-CD2 3.98Å; Y114-H123 AromaticContact CZ-CG 3.6Å; Y114-H123 AromaticContact CZ-ND1 3.99Å; W118-H123 AromaticContact CE2-CD2 3.98Å; W118-H123 AromaticContact CE3-CD2 3.9Å; W118-H123 AromaticContact CH2-CD2 3.21Å; W118-H123 WeakPolarHBondContact CH2-CD2 3.48Å; W118-H123 AromaticContact CH2-NE2 3.11Å; W118-H123 WeakPolarHBondContact CH2-NE2 3.47Å; W118-H123 AromaticContact CZ2-CD2 3.5Å; W118-H123 VanDerWaalsContact CZ2-CD2 3.5Å; W118-H123 WeakPolarHBondContact CZ2-CD2 3.23Å; W118-H123 AromaticContact CZ2-NE2 3.54Å; W118-H123 AromaticContact CZ3-CD2 3.42Å; W118-H123 VanDerWaalsContact CZ3-CD2 3.42Å; W118-H123 WeakPolarHBondContact CZ3-CD2 3.38Å; W118-H123 AromaticContact CZ3-NE2 3.74Å; H123-W141 HydrophobicContact CB-CB 4.09Å; H123-W141 HydrophobicContact CB-CD2 4.23Å; H123-W141 HydrophobicContact CB-CE3 4.05Å; H123-W141 HydrophobicContact CB-CG 4.26Å; H123-W141 AromaticContact ND1-CE3 3.85Å; H123-W141 AromaticContact ND1-CZ3 3.87Å; H123-N143 PolarHBondContact O-N 3.33Å; H123-H144 AromaticContact CD2-CE1 3.96Å; H123-H144 AromaticContact CD2-ND1 3.46Å; H123-H144 PolarHBondContact CD2-ND1 2.8Å; H123-H144 AromaticContact CE1-ND1 3.96Å; H123-H144 AromaticContact CG-ND1 3.54Å; H123-H144 PolarHBondContact N-ND1 2.73Å; H123-H144 AromaticContact ND1-ND1 3.87Å; H123-H144 AromaticContact NE2-ND1 3.69Å; H123-H144 PolarHBondContact O-N 2.87Å
124	N	98.1	Very high	97.9	Very high	27 Å²	27	52.3 Å²	52.3	14%	0.144	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	126.9	-175.5	-85.3	-62.4	0	0	0	109.2	E117 A119 Q122 W141 L142 N143	E117-N124 CarbonylContact C-O 3.14Å; E117-N124 VanDerWaalsContact C-O 3.25Å; E117-N124 WeakPolarHBondContact CB-O 3.23Å; E117-N124 PolarHBondContact O-N 3.03Å; E117-N124 VanDerWaalsContact O-N 3.15Å; A119-N124 HydrophobicContact CB-CB 3.82Å; A119-N124 PolarHBondContact O-ND2 3.46Å; Q122-N124 VanDerWaalsContact CB-ND2 3.35Å; Q122-N124 WeakPolarHBondContact CB-ND2 3.3Å; Q122-N124 PolarHBondContact O-N 3.1Å; N124-W141 WeakPolarHBondContact CA-O 3.42Å; N124-L142 WeakPolarHBondContact OD1-CA 3.43Å; N124-N143 PolarHBondContact OD1-N 3.17Å; N124-N143 PolarHBondContact OD1-OD1 3.03Å
125	G	98.3	Very high	97.9	Very high	29 Å²	29	53.3 Å²	53.3	30%	0.299	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.8	-153.3	-173.3	0	0	0	0	0	111.5	E140 W141	G125-E140 CarbonylContact O-C 3.59Å; G125-E140 WeakPolarHBondContact O-CA 3.19Å; G125-W141 PolarHBondContact N-O 2.92Å; G125-W141 WeakPolarHBondContact O-CB 3.22Å; G125-W141 PolarHBondContact O-N 3.33Å
126	W	98.6	Very high	97.9	Very high	113 Å²	113	52.7 Å²	52.7	43%	0.428	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141.5	-179.4	-168.5	92.2	0	0	0	111.7	G116 E117	G116-W126 WeakPolarHBondContact CA-O 3.29Å; E117-W126 PolarHBondContact N-O 2.84Å; E117-W126 PolarHBondContact OE1-N 2.79Å
127	G	98.6	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	159.9	176.7	0	0	0	0	0	114.6	E115 G139 W141	E115-G127 CarbonylContact O-C 3.51Å; E115-G127 WeakPolarHBondContact O-CA 3.48Å; G127-G139 PolarHBondContact N-O 3.3Å; G127-G139 PolarHBondContact O-N 2.88Å; G127-G139 VanDerWaalsContact O-O 3.14Å; G127-W141 PolarHBondContact O-NE1 3.03Å; G127-W141 VanDerWaalsContact O-NE1 3.09Å
128	R	98.6	Very high	97.8	Very high	76 Å²	76	50 Å²	50	29%	0.287	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.9	176.2	-177.8	178	-66.2	-179.1	-4.5	110.4	Y114 E115 Y130 I136 Y137 E138	Y114-R128 CarbonylContact C-O 3.46Å; Y114-R128 WeakPolarHBondContact CA-O 2.95Å; E115-R128 PolarHBondContact N-O 2.93Å; E115-R128 PolarHBondContact O-N 2.91Å; R128-Y130 WeakPolarHBondContact CD-OH 3.44Å; R128-Y130 HydrophobicContact CG-CD2 4.4Å; R128-Y130 HydrophobicContact CG-CE2 3.88Å; R128-Y130 PolarHBondContact NH1-OH 3.48Å; R128-I136 HydrophobicContact CG-CG2 4.1Å; R128-Y137 CarbonylContact C-O 3.59Å; R128-Y137 WeakPolarHBondContact CA-O 3.39Å; R128-E138 HydrophobicContact CB-CG 4.06Å; R128-E138 HydrophobicContact CG-CG 3.63Å; R128-E138 VanDerWaalsContact CZ-CD 3.42Å; R128-E138 IonicContact CZ-OE1 3.27Å; R128-E138 IonicContact CZ-OE2 3.34Å; R128-E138 VanDerWaalsContact NE-CG 3.3Å; R128-E138 IonicContact NE-OE1 3.91Å; R128-E138 PolarHBondContact NE-OE1 2.91Å; R128-E138 IonicContact NE-OE2 2.76Å; R128-E138 PolarHBondContact NE-OE2 2.9Å; R128-E138 IonicContact NH2-OE1 3.49Å; R128-E138 PolarHBondContact NH2-OE1 3.31Å; R128-E138 IonicContact NH2-OE2 3.95Å; R128-E138 PolarHBondContact NH2-OE2 2.84Å
129	M	98.3	Very high	97.8	Very high	15 Å²	15	49.8 Å²	49.8	7%	0.074	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.4	174.8	-179.7	67.1	-175.4	0	0	109.5	F108 A112 Y114 Y131 I136 Y137 W141	F108-M129 HydrophobicContact CD2-CE 3.86Å; F108-M129 HydrophobicContact CD2-SD 4.42Å; F108-M129 HydrophobicContact CE2-CE 3.7Å; F108-M129 HydrophobicContact CE2-SD 3.86Å; F108-M129 HydrophobicContact CZ-CE 4.43Å; A112-M129 HydrophobicContact CB-CE 4.08Å; Y114-M129 HydrophobicContact CD2-CB 4.35Å; Y114-M129 HydrophobicContact CD2-SD 4.41Å; M129-Y131 HydrophobicContact CB-CE2 4.04Å; M129-Y131 HydrophobicContact CE-CD1 3.96Å; M129-Y131 HydrophobicContact CE-CE1 4.08Å; M129-Y131 HydrophobicContact CG-CD1 4.02Å; M129-Y131 HydrophobicContact CG-CD2 4Å; M129-Y131 HydrophobicContact CG-CE1 3.67Å; M129-Y131 HydrophobicContact CG-CE2 3.65Å; M129-Y131 HydrophobicContact CG-CG 4.18Å; M129-Y131 VanDerWaalsContact CG-CZ 3.48Å; M129-I136 CarbonylContact O-C 3.52Å; M129-I136 WeakPolarHBondContact O-CA 3.34Å; M129-Y137 PolarHBondContact N-O 2.77Å; M129-Y137 PolarHBondContact O-N 2.7Å; M129-W141 HydrophobicContact CB-CH2 3.95Å; M129-W141 HydrophobicContact CB-CZ2 3.59Å; M129-W141 HydrophobicContact CG-CH2 4.32Å; M129-W141 HydrophobicContact CG-CZ2 4.44Å
130	Y	98	Very high	97.9	Very high	71 Å²	71	52.6 Å²	52.6	28%	0.278	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120	166.5	-54.8	-91.4	0	0	0	107.3	A112 V113 R128 I136	A112-Y130 CarbonylContact C-O 3.59Å; A112-Y130 WeakPolarHBondContact CA-O 3.44Å; A112-Y130 WeakPolarHBondContact CB-O 3.21Å; V113-Y130 HydrophobicContact CB-CD2 4.08Å; V113-Y130 PolarHBondContact N-O 3.23Å; V113-Y130 WeakPolarHBondContact O-CD2 3.43Å; V113-Y130 PolarHBondContact O-N 2.77Å; R128-Y130 WeakPolarHBondContact CD-OH 3.44Å; R128-Y130 HydrophobicContact CG-CD2 4.4Å; R128-Y130 HydrophobicContact CG-CE2 3.88Å; R128-Y130 PolarHBondContact NH1-OH 3.48Å; Y130-I136 HydrophobicContact CD1-CD1 4.01Å; Y130-I136 HydrophobicContact CD1-CG1 3.96Å; Y130-I136 HydrophobicContact CD1-CG2 4.23Å; Y130-I136 HydrophobicContact CE1-CD1 4.16Å; Y130-I136 HydrophobicContact CE1-CG1 4.49Å; Y130-I136 HydrophobicContact CE1-CG2 4.27Å
131	Y	97.1	Very high	97.9	Very high	79 Å²	79	48.7 Å²	48.7	31%	0.31	24%	0.241	S	C	.	.			trans	-94.8	154.8	179.6	-66.7	-84.1	0	0	0	111.1	M129 N133 G134 D135	M129-Y131 HydrophobicContact CB-CE2 4.04Å; M129-Y131 HydrophobicContact CE-CD1 3.96Å; M129-Y131 HydrophobicContact CE-CE1 4.08Å; M129-Y131 HydrophobicContact CG-CD1 4.02Å; M129-Y131 HydrophobicContact CG-CD2 4Å; M129-Y131 HydrophobicContact CG-CE1 3.67Å; M129-Y131 HydrophobicContact CG-CE2 3.65Å; M129-Y131 HydrophobicContact CG-CG 4.18Å; M129-Y131 VanDerWaalsContact CG-CZ 3.48Å; Y131-N133 WeakPolarHBondContact CB-OD1 3.49Å; Y131-N133 PolarHBondContact O-N 3.46Å; Y131-G134 PolarHBondContact O-N 2.88Å; Y131-D135 HydrophobicContact CD2-CB 3.93Å; Y131-D135 WeakPolarHBondContact CD2-O 3.34Å; Y131-D135 HydrophobicContact CG-CB 4.43Å; Y131-D135 PolarHBondContact N-O 2.93Å
132	E	96.5	Very high	98	Very high	136 Å²	136	49.7 Å²	49.7	64%	0.636	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.1	179.2	-57.8	-177.3	170.6	0	0	112.7	A112 G134	A112-E132 HydrophobicContact CB-CG 3.71Å; E132-G134 PolarHBondContact O-N 3.37Å
133	N	95.6	Very high	97.9	Very high	92 Å²	92	50.6 Å²	50.6	49%	0.492	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.8	178.7	70.3	-12.6	0	0	0	113.8	Y131 D135 S155	Y131-N133 WeakPolarHBondContact CB-OD1 3.49Å; Y131-N133 PolarHBondContact O-N 3.46Å; N133-D135 VanDerWaalsContact C-N 3.34Å; N133-D135 PolarHBondContact ND2-OD2 2.99Å; N133-D135 VanDerWaalsContact OD1-CB 3.24Å; N133-D135 WeakPolarHBondContact OD1-CB 3.26Å; N133-D135 VanDerWaalsContact OD1-CG 3.26Å; N133-D135 PolarHBondContact OD1-N 3.23Å; N133-S155 WeakPolarHBondContact O-CB 3.43Å; N133-S155 PolarHBondContact O-OG 3.14Å
134	G	96.2	Very high	97.9	Very high	42 Å²	42	54.3 Å²	54.3	43%	0.433	27%	0.27	S	S	.	.	S	Bend	trans	85.1	-0	-177.1	0	0	0	0	0	114.6	Y131 E132	Y131-G134 PolarHBondContact O-N 2.88Å; E132-G134 PolarHBondContact O-N 3.37Å
135	D	97.9	Very high	97.9	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.112	28%	0.284	C	S	.	.			trans	-69.8	148.5	173.1	-63.2	-12	0	0	0	110.1	Y131 N133 R153 F154 S155	Y131-D135 HydrophobicContact CD2-CB 3.93Å; Y131-D135 WeakPolarHBondContact CD2-O 3.34Å; Y131-D135 HydrophobicContact CG-CB 4.43Å; Y131-D135 PolarHBondContact N-O 2.93Å; N133-D135 VanDerWaalsContact C-N 3.34Å; N133-D135 PolarHBondContact ND2-OD2 2.99Å; N133-D135 VanDerWaalsContact OD1-CB 3.24Å; N133-D135 WeakPolarHBondContact OD1-CB 3.26Å; N133-D135 VanDerWaalsContact OD1-CG 3.26Å; N133-D135 PolarHBondContact OD1-N 3.23Å; D135-R153 CarbonylContact C-O 3.5Å; D135-R153 VanDerWaalsContact CA-O 3.3Å; D135-R153 WeakPolarHBondContact CA-O 3.35Å; D135-F154 VanDerWaalsContact OD1-CA 3.23Å; D135-F154 WeakPolarHBondContact OD1-CA 3.46Å; D135-S155 PolarHBondContact OD1-N 2.86Å
136	I	98.3	Very high	97.9	Very high	48 Å²	48	56.7 Å²	56.7	25%	0.246	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117	178.9	-55.7	175.6	0	0	0	108.3	R128 M129 Y130 E138 I152 R153	R128-I136 HydrophobicContact CG-CG2 4.1Å; M129-I136 CarbonylContact O-C 3.52Å; M129-I136 WeakPolarHBondContact O-CA 3.34Å; Y130-I136 HydrophobicContact CD1-CD1 4.01Å; Y130-I136 HydrophobicContact CD1-CG1 3.96Å; Y130-I136 HydrophobicContact CD1-CG2 4.23Å; Y130-I136 HydrophobicContact CE1-CD1 4.16Å; Y130-I136 HydrophobicContact CE1-CG1 4.49Å; Y130-I136 HydrophobicContact CE1-CG2 4.27Å; I136-E138 HydrophobicContact CG2-CG 4.36Å; I136-I152 CarbonylContact O-C 3.57Å; I136-I152 WeakPolarHBondContact O-CA 3.06Å; I136-R153 PolarHBondContact N-O 3.28Å; I136-R153 PolarHBondContact O-N 3.33Å
137	Y	98.6	Very high	97.9	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.5	170	175.5	-90	0	0	0	110.6	R128 M129 E140 W141 T146 I151 I152 W164	R128-Y137 CarbonylContact C-O 3.59Å; R128-Y137 WeakPolarHBondContact CA-O 3.39Å; M129-Y137 PolarHBondContact N-O 2.77Å; M129-Y137 PolarHBondContact O-N 2.7Å; Y137-E140 PolarHBondContact OH-O 2.85Å; Y137-W141 AromaticContact CD1-CE2 3.64Å; Y137-W141 HydrophobicContact CD1-CH2 4.4Å; Y137-W141 AromaticContact CD1-CZ2 3.4Å; Y137-W141 HydrophobicContact CD1-CZ2 3.4Å; Y137-W141 AromaticContact CD1-NE1 3.61Å; Y137-W141 HydrophobicContact CE1-CD2 4.44Å; Y137-W141 AromaticContact CE1-CE2 3.59Å; Y137-W141 AromaticContact CE1-CZ2 3.82Å; Y137-W141 HydrophobicContact CE1-CZ2 3.82Å; Y137-W141 AromaticContact CE1-NE1 3.37Å; Y137-W141 HydrophobicContact CG-CZ2 4.32Å; Y137-T146 HydrophobicContact CD1-CG2 3.7Å; Y137-T146 HydrophobicContact CD2-CG2 3.85Å; Y137-T146 HydrophobicContact CE1-CG2 3.43Å; Y137-T146 VanDerWaalsContact CE1-CG2 3.43Å; Y137-T146 HydrophobicContact CE2-CG2 3.6Å; Y137-T146 HydrophobicContact CG-CG2 3.89Å; Y137-T146 VanDerWaalsContact CZ-CB 3.48Å; Y137-T146 WeakPolarHBondContact OH-CB 3.39Å; Y137-I151 CarbonylContact C-O 3.49Å; Y137-I151 WeakPolarHBondContact CA-O 3.15Å; Y137-I152 HydrophobicContact CD2-CB 4.17Å; Y137-W164 HydrophobicContact CD2-CH2 4.38Å; Y137-W164 HydrophobicContact CD2-CZ2 4.04Å; Y137-W164 AromaticContact CE2-CD2 3.99Å; Y137-W164 HydrophobicContact CE2-CD2 3.99Å; Y137-W164 AromaticContact CE2-CE2 3.63Å; Y137-W164 HydrophobicContact CE2-CG 4.34Å; Y137-W164 HydrophobicContact CE2-CH2 4.39Å; Y137-W164 AromaticContact CE2-CZ2 3.84Å; Y137-W164 HydrophobicContact CE2-CZ2 3.84Å; Y137-W164 AromaticContact CE2-NE1 3.81Å
138	E	98.6	Very high	97.8	Very high	33 Å²	33	55.3 Å²	55.3	15%	0.154	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	119.9	173.7	-68.9	-179.5	-133.7	0	0	108.9	R128 I136 G150 I151 R153	R128-E138 HydrophobicContact CB-CG 4.06Å; R128-E138 HydrophobicContact CG-CG 3.63Å; R128-E138 VanDerWaalsContact CZ-CD 3.42Å; R128-E138 IonicContact CZ-OE1 3.27Å; R128-E138 IonicContact CZ-OE2 3.34Å; R128-E138 VanDerWaalsContact NE-CG 3.3Å; R128-E138 IonicContact NE-OE1 3.91Å; R128-E138 PolarHBondContact NE-OE1 2.91Å; R128-E138 IonicContact NE-OE2 2.76Å; R128-E138 PolarHBondContact NE-OE2 2.9Å; R128-E138 IonicContact NH2-OE1 3.49Å; R128-E138 PolarHBondContact NH2-OE1 3.31Å; R128-E138 IonicContact NH2-OE2 3.95Å; R128-E138 PolarHBondContact NH2-OE2 2.84Å; I136-E138 HydrophobicContact CG2-CG 4.36Å; E138-G150 CarbonylContact O-C 3.54Å; E138-G150 VanDerWaalsContact O-CA 3.26Å; E138-G150 WeakPolarHBondContact O-CA 3.45Å; E138-I151 PolarHBondContact N-O 2.61Å; E138-I151 PolarHBondContact O-N 3.3Å; E138-R153 IonicContact OE1-CZ 3.4Å; E138-R153 IonicContact OE1-NH1 3.25Å; E138-R153 PolarHBondContact OE1-NH1 3.12Å
139	G	98.5	Very high	97.8	Very high	3 Å²	3	58.6 Å²	58.6	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.4	-162.5	179.6	0	0	0	0	0	113.4	G127 W141 R149	G127-G139 PolarHBondContact N-O 3.3Å; G127-G139 PolarHBondContact O-N 2.88Å; G127-G139 VanDerWaalsContact O-O 3.14Å; G139-W141 VanDerWaalsContact O-CD1 3.22Å; G139-R149 WeakPolarHBondContact CA-O 3.34Å
140	E	98.6	Very high	97.8	Very high	86 Å²	86	58.2 Å²	58.2	40%	0.402	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	148.1	179.1	-62	171.2	-100.7	0	0	111.6	G125 Y137 H147 R149	G125-E140 CarbonylContact O-C 3.59Å; G125-E140 WeakPolarHBondContact O-CA 3.19Å; Y137-E140 PolarHBondContact OH-O 2.85Å; E140-H147 CarbonylContact C-O 3.49Å; E140-H147 VanDerWaalsContact CB-O 3.25Å; E140-H147 WeakPolarHBondContact CB-O 3.37Å; E140-H147 PolarHBondContact O-N 3.05Å; E140-R149 PolarHBondContact N-O 2.9Å; E140-R149 PolarHBondContact OE1-N 2.78Å
141	W	98.6	Very high	97.9	Very high	16 Å²	16	57.1 Å²	57.1	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.1	179.5	-66.9	80.8	0	0	0	109.9	Y114 H123 N124 G125 G127 M129 Y137 G139 H144 K145 T146	Y114-W141 HydrophobicContact CD2-CZ2 4.26Å; Y114-W141 AromaticContact CE2-CD2 3.97Å; Y114-W141 HydrophobicContact CE2-CD2 3.97Å; Y114-W141 AromaticContact CE2-CE2 3.68Å; Y114-W141 HydrophobicContact CE2-CG 4.2Å; Y114-W141 HydrophobicContact CE2-CZ2 4.1Å; Y114-W141 AromaticContact CE2-NE1 3.71Å; H123-W141 HydrophobicContact CB-CB 4.09Å; H123-W141 HydrophobicContact CB-CD2 4.23Å; H123-W141 HydrophobicContact CB-CE3 4.05Å; H123-W141 HydrophobicContact CB-CG 4.26Å; H123-W141 AromaticContact ND1-CE3 3.85Å; H123-W141 AromaticContact ND1-CZ3 3.87Å; N124-W141 WeakPolarHBondContact CA-O 3.42Å; G125-W141 PolarHBondContact N-O 2.92Å; G125-W141 WeakPolarHBondContact O-CB 3.22Å; G125-W141 PolarHBondContact O-N 3.33Å; G127-W141 PolarHBondContact O-NE1 3.03Å; G127-W141 VanDerWaalsContact O-NE1 3.09Å; M129-W141 HydrophobicContact CB-CH2 3.95Å; M129-W141 HydrophobicContact CB-CZ2 3.59Å; M129-W141 HydrophobicContact CG-CH2 4.32Å; M129-W141 HydrophobicContact CG-CZ2 4.44Å; Y137-W141 AromaticContact CD1-CE2 3.64Å; Y137-W141 HydrophobicContact CD1-CH2 4.4Å; Y137-W141 AromaticContact CD1-CZ2 3.4Å; Y137-W141 HydrophobicContact CD1-CZ2 3.4Å; Y137-W141 AromaticContact CD1-NE1 3.61Å; Y137-W141 HydrophobicContact CE1-CD2 4.44Å; Y137-W141 AromaticContact CE1-CE2 3.59Å; Y137-W141 AromaticContact CE1-CZ2 3.82Å; Y137-W141 HydrophobicContact CE1-CZ2 3.82Å; Y137-W141 AromaticContact CE1-NE1 3.37Å; Y137-W141 HydrophobicContact CG-CZ2 4.32Å; G139-W141 VanDerWaalsContact O-CD1 3.22Å; W141-H144 WeakPolarHBondContact CZ3-O 3.21Å; W141-K145 CarbonylContact C-O 3.32Å; W141-K145 VanDerWaalsContact CA-O 3.3Å; W141-K145 WeakPolarHBondContact CA-O 3.22Å; W141-T146 HydrophobicContact CD2-CG2 4.39Å; W141-T146 HydrophobicContact CE3-CG2 4.25Å; W141-T146 HydrophobicContact CH2-CG2 3.77Å; W141-T146 HydrophobicContact CZ2-CG2 3.9Å; W141-T146 HydrophobicContact CZ3-CG2 3.95Å
142	L	98.4	Very high	97.9	Very high	78 Å²	78	54 Å²	54	41%	0.408	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	119.9	172.4	-177.6	65.5	0	0	0	108.7	N124 H144 K145 H147	N124-L142 WeakPolarHBondContact OD1-CA 3.43Å; L142-H144 PolarHBondContact O-N 3.44Å; L142-K145 PolarHBondContact N-O 2.91Å; L142-K145 PolarHBondContact O-N 2.81Å; L142-H147 HydrophobicContact CB-CB 3.77Å
143	N	97.1	Very high	98	Very high	88 Å²	88	52.8 Å²	52.8	47%	0.471	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	52.7	177.8	-55.2	-32.6	0	0	0	113.4	Q122 H123 N124 K145	Q122-N143 PolarHBondContact OE1-OD1 2.99Å; H123-N143 PolarHBondContact O-N 3.33Å; N124-N143 PolarHBondContact OD1-N 3.17Å; N124-N143 PolarHBondContact OD1-OD1 3.03Å; N143-K145 PolarHBondContact O-N 2.75Å
144	H	97.2	Very high	98.1	Very high	86 Å²	86	50.8 Å²	50.8	40%	0.398	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	3.8	-176.2	-59.6	-75.2	0	0	0	117.1	D121 Q122 H123 W141 L142	D121-H144 PolarHBondContact O-CE1 2.98Å; D121-H144 VanDerWaalsContact O-CE1 3.29Å; D121-H144 PolarHBondContact O-NE2 3.09Å; Q122-H144 VanDerWaalsContact CA-CE1 3.42Å; Q122-H144 WeakPolarHBondContact CA-CE1 3.35Å; Q122-H144 WeakPolarHBondContact CA-NE2 3.28Å; Q122-H144 WeakPolarHBondContact CG-NE2 3.42Å; H123-H144 AromaticContact CD2-CE1 3.96Å; H123-H144 AromaticContact CD2-ND1 3.46Å; H123-H144 PolarHBondContact CD2-ND1 2.8Å; H123-H144 AromaticContact CE1-ND1 3.96Å; H123-H144 AromaticContact CG-ND1 3.54Å; H123-H144 PolarHBondContact N-ND1 2.73Å; H123-H144 AromaticContact ND1-ND1 3.87Å; H123-H144 AromaticContact NE2-ND1 3.69Å; H123-H144 PolarHBondContact O-N 2.87Å; W141-H144 WeakPolarHBondContact CZ3-O 3.21Å; L142-H144 PolarHBondContact O-N 3.44Å
145	K	98	Very high	98.2	Very high	99 Å²	99	52.7 Å²	52.7	43%	0.43	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.2	177.2	-60.7	-176.6	-171.6	175.1	0	110.8	W141 L142 N143 H147 D166	W141-K145 CarbonylContact C-O 3.32Å; W141-K145 VanDerWaalsContact CA-O 3.3Å; W141-K145 WeakPolarHBondContact CA-O 3.22Å; L142-K145 PolarHBondContact N-O 2.91Å; L142-K145 PolarHBondContact O-N 2.81Å; N143-K145 PolarHBondContact O-N 2.75Å; K145-H147 PolarHBondContact O-N 2.82Å; K145-D166 HydrophobicContact CD-CB 4.11Å; K145-D166 WeakPolarHBondContact CD-OD1 3.46Å; K145-D166 IonicContact NZ-OD1 2.73Å; K145-D166 PolarHBondContact NZ-OD1 2.73Å
146	T	98	Very high	98	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.5	168.8	61.4	0	0	0	0	109.6	Y137 W141 G167	Y137-T146 HydrophobicContact CD1-CG2 3.7Å; Y137-T146 HydrophobicContact CD2-CG2 3.85Å; Y137-T146 HydrophobicContact CE1-CG2 3.43Å; Y137-T146 VanDerWaalsContact CE1-CG2 3.43Å; Y137-T146 HydrophobicContact CE2-CG2 3.6Å; Y137-T146 HydrophobicContact CG-CG2 3.89Å; Y137-T146 VanDerWaalsContact CZ-CB 3.48Å; Y137-T146 WeakPolarHBondContact OH-CB 3.39Å; W141-T146 HydrophobicContact CD2-CG2 4.39Å; W141-T146 HydrophobicContact CE3-CG2 4.25Å; W141-T146 HydrophobicContact CH2-CG2 3.77Å; W141-T146 HydrophobicContact CZ2-CG2 3.9Å; W141-T146 HydrophobicContact CZ3-CG2 3.95Å; T146-G167 PolarHBondContact O-N 3.34Å; T146-G167 VanDerWaalsContact OG1-CA 3.23Å; T146-G167 WeakPolarHBondContact OG1-CA 3.32Å
147	H	98.4	Very high	97.8	Very high	63 Å²	63	56.2 Å²	56.2	29%	0.292	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	171	-174.6	-157.5	81.9	0	0	0	109.4	E140 L142 K145 R149 W164	E140-H147 CarbonylContact C-O 3.49Å; E140-H147 VanDerWaalsContact CB-O 3.25Å; E140-H147 WeakPolarHBondContact CB-O 3.37Å; E140-H147 PolarHBondContact O-N 3.05Å; L142-H147 HydrophobicContact CB-CB 3.77Å; K145-H147 PolarHBondContact O-N 2.82Å; H147-R149 PolarHBondContact O-N 2.75Å; H147-W164 CarbonylContact C-O 3.54Å; H147-W164 WeakPolarHBondContact CA-O 3.07Å
148	G	98.2	Very high	97.8	Very high	20 Å²	20	56.9 Å²	56.9	21%	0.206	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62.9	-134.4	172.3	0	0	0	0	0	112.5	S163 W164	G148-S163 CarbonylContact O-C 3.53Å; G148-S163 WeakPolarHBondContact O-CA 3.46Å; G148-W164 PolarHBondContact N-O 2.83Å; G148-W164 PolarHBondContact O-N 3Å
149	R	98.4	Very high	97.7	Very high	146 Å²	146	59.5 Å²	59.5	55%	0.551	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	141	175	-66	-69.3	-171.9	171.1	-2.3	110.9	G139 E140 H147 G162 S163	G139-R149 WeakPolarHBondContact CA-O 3.34Å; E140-R149 PolarHBondContact N-O 2.9Å; E140-R149 PolarHBondContact OE1-N 2.78Å; H147-R149 PolarHBondContact O-N 2.75Å; R149-G162 WeakPolarHBondContact CA-O 3.43Å; R149-S163 PolarHBondContact NH1-OG 3.05Å; R149-S163 VanDerWaalsContact NH1-OG 3.17Å
150	G	98.4	Very high	97.7	Very high	7 Å²	7	59.4 Å²	59.4	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	160.2	177	0	0	0	0	0	114	E138 G162 W164	E138-G150 CarbonylContact O-C 3.54Å; E138-G150 VanDerWaalsContact O-CA 3.26Å; E138-G150 WeakPolarHBondContact O-CA 3.45Å; G150-G162 PolarHBondContact N-O 3.46Å; G150-G162 PolarHBondContact O-N 3.03Å; G150-W164 PolarHBondContact O-NE1 2.79Å
151	I	98.6	Very high	97.7	Very high	47 Å²	47	59.6 Å²	59.6	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.6	178.4	-57.4	173.7	0	0	0	107.8	Y137 E138 R153 Y160 E161	Y137-I151 CarbonylContact C-O 3.49Å; Y137-I151 WeakPolarHBondContact CA-O 3.15Å; E138-I151 PolarHBondContact N-O 2.61Å; E138-I151 PolarHBondContact O-N 3.3Å; I151-R153 HydrophobicContact CG2-CG 4.45Å; I151-Y160 CarbonylContact C-O 3.54Å; I151-Y160 VanDerWaalsContact CA-O 3.22Å; I151-Y160 WeakPolarHBondContact CA-O 3.38Å; I151-E161 HydrophobicContact CD1-CG 4.32Å; I151-E161 HydrophobicContact CG1-CB 3.98Å; I151-E161 HydrophobicContact CG1-CG 3.85Å
152	I	98.5	Very high	97.7	Very high	15 Å²	15	59 Å²	59	8%	0.077	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	167	-168.9	166.6	0	0	0	109.3	I136 Y137 F154 W159 Y160 W164	I136-I152 CarbonylContact O-C 3.57Å; I136-I152 WeakPolarHBondContact O-CA 3.06Å; Y137-I152 HydrophobicContact CD2-CB 4.17Å; I152-F154 HydrophobicContact CD1-CD1 4.47Å; I152-F154 HydrophobicContact CD1-CE1 3.86Å; I152-F154 HydrophobicContact CD1-CZ 4.24Å; I152-F154 HydrophobicContact CG1-CE1 4.18Å; I152-F154 HydrophobicContact CG1-CZ 4.34Å; I152-F154 HydrophobicContact CG2-CE1 4.21Å; I152-F154 HydrophobicContact CG2-CE2 3.75Å; I152-F154 HydrophobicContact CG2-CZ 3.53Å; I152-W159 CarbonylContact O-C 3.54Å; I152-W159 WeakPolarHBondContact O-CA 3.22Å; I152-W159 VanDerWaalsContact O-CB 3.28Å; I152-W159 WeakPolarHBondContact O-CB 3.34Å; I152-Y160 HydrophobicContact CG2-CD1 4.35Å; I152-Y160 PolarHBondContact N-O 2.87Å; I152-Y160 PolarHBondContact O-N 2.83Å; I152-W164 HydrophobicContact CB-CH2 4.18Å; I152-W164 HydrophobicContact CB-CZ2 4Å; I152-W164 HydrophobicContact CD1-CH2 4.41Å; I152-W164 HydrophobicContact CG2-CH2 3.79Å; I152-W164 HydrophobicContact CG2-CZ2 3.65Å
153	R	98.3	Very high	97.7	Very high	110 Å²	110	56.2 Å²	56.2	42%	0.415	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.9	169.3	-61.1	-173.8	-174.3	89.9	0.7	107.6	D135 I136 E138 I151 W159	D135-R153 CarbonylContact C-O 3.5Å; D135-R153 VanDerWaalsContact CA-O 3.3Å; D135-R153 WeakPolarHBondContact CA-O 3.35Å; I136-R153 PolarHBondContact N-O 3.28Å; I136-R153 PolarHBondContact O-N 3.33Å; E138-R153 IonicContact OE1-CZ 3.4Å; E138-R153 IonicContact OE1-NH1 3.25Å; E138-R153 PolarHBondContact OE1-NH1 3.12Å; I151-R153 HydrophobicContact CG2-CG 4.45Å; R153-W159 HydrophobicContact CB-CB 4.41Å; R153-W159 HydrophobicContact CG-CB 4Å
154	F	97.9	Very high	97.7	Very high	50 Å²	50	53.1 Å²	53.1	22%	0.219	27%	0.265	C	S	.	.			trans	-87.6	150.4	178.7	-61.6	-75.6	0	0	0	109.9	D135 I152 N156 G157 N158 F175	D135-F154 VanDerWaalsContact OD1-CA 3.23Å; D135-F154 WeakPolarHBondContact OD1-CA 3.46Å; I152-F154 HydrophobicContact CD1-CD1 4.47Å; I152-F154 HydrophobicContact CD1-CE1 3.86Å; I152-F154 HydrophobicContact CD1-CZ 4.24Å; I152-F154 HydrophobicContact CG1-CE1 4.18Å; I152-F154 HydrophobicContact CG1-CZ 4.34Å; I152-F154 HydrophobicContact CG2-CE1 4.21Å; I152-F154 HydrophobicContact CG2-CE2 3.75Å; I152-F154 HydrophobicContact CG2-CZ 3.53Å; F154-N156 WeakPolarHBondContact CB-OD1 3.18Å; F154-N156 PolarHBondContact O-N 3.18Å; F154-N156 VanDerWaalsContact O-N 3.12Å; F154-G157 PolarHBondContact O-N 3.4Å; F154-N158 WeakPolarHBondContact CB-O 3.09Å; F154-N158 HydrophobicContact CD2-CB 4.12Å; F154-N158 WeakPolarHBondContact CD2-O 3.44Å; F154-N158 PolarHBondContact N-O 3.27Å; F154-F175 HydrophobicContact CD2-CE2 4.38Å; F154-F175 HydrophobicContact CD2-CZ 4.33Å; F154-F175 AromaticContact CE2-CE2 3.63Å; F154-F175 HydrophobicContact CE2-CE2 3.63Å; F154-F175 HydrophobicContact CE2-CZ 4.02Å; F154-F175 HydrophobicContact CZ-CE2 4.37Å
155	S	96.7	Very high	97.8	Very high	81 Å²	81	55.6 Å²	55.6	57%	0.566	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.6	178.3	58.4	0	0	0	0	113.9	N133 D135 G157	N133-S155 WeakPolarHBondContact O-CB 3.43Å; N133-S155 PolarHBondContact O-OG 3.14Å; D135-S155 PolarHBondContact OD1-N 2.86Å; S155-G157 PolarHBondContact O-N 3.24Å
156	N	95	Very high	97.8	Very high	104 Å²	104	55.2 Å²	55.2	56%	0.556	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	1	172.5	67.4	11.2	0	0	0	114.3	F154 N158	F154-N156 WeakPolarHBondContact CB-OD1 3.18Å; F154-N156 PolarHBondContact O-N 3.18Å; F154-N156 VanDerWaalsContact O-N 3.12Å; N156-N158 VanDerWaalsContact OD1-CB 3.27Å; N156-N158 WeakPolarHBondContact OD1-CB 3.39Å; N156-N158 PolarHBondContact OD1-N 3.4Å
157	G	94.6	Very high	97.7	Very high	39 Å²	39	56.6 Å²	56.6	40%	0.402	29%	0.29	S	S	.	.	S	Bend	trans	92.4	-16.1	179.4	0	0	0	0	0	114.7	F154 S155 S178	F154-G157 PolarHBondContact O-N 3.4Å; S155-G157 PolarHBondContact O-N 3.24Å; G157-S178 PolarHBondContact O-OG 2.81Å
158	N	96.7	Very high	97.7	Very high	15 Å²	15	58.5 Å²	58.5	8%	0.08	30%	0.297	C	S	.	.			trans	-68.4	156.4	174.6	-64.5	-26	0	0	0	110.3	F154 N156 F175 Y176 Y177 S178	F154-N158 WeakPolarHBondContact CB-O 3.09Å; F154-N158 HydrophobicContact CD2-CB 4.12Å; F154-N158 WeakPolarHBondContact CD2-O 3.44Å; F154-N158 PolarHBondContact N-O 3.27Å; N156-N158 VanDerWaalsContact OD1-CB 3.27Å; N156-N158 WeakPolarHBondContact OD1-CB 3.39Å; N156-N158 PolarHBondContact OD1-N 3.4Å; N158-F175 HydrophobicContact CB-CE1 3.95Å; N158-F175 HydrophobicContact CB-CZ 3.97Å; N158-Y176 WeakPolarHBondContact CA-O 3.3Å; N158-Y176 WeakPolarHBondContact CB-O 3.23Å; N158-Y177 VanDerWaalsContact OD1-CA 3.3Å; N158-Y177 WeakPolarHBondContact OD1-CA 3.42Å; N158-S178 PolarHBondContact N-OG 2.85Å; N158-S178 PolarHBondContact OD1-N 2.71Å; N158-S178 PolarHBondContact OD1-OG 2.74Å
159	W	97.8	Very high	97.7	Very high	89 Å²	89	60.5 Å²	60.5	34%	0.337	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.3	171.8	70.9	99	0	0	0	112.4	I152 R153 F175 Y176	I152-W159 CarbonylContact O-C 3.54Å; I152-W159 WeakPolarHBondContact O-CA 3.22Å; I152-W159 VanDerWaalsContact O-CB 3.28Å; I152-W159 WeakPolarHBondContact O-CB 3.34Å; R153-W159 HydrophobicContact CB-CB 4.41Å; R153-W159 HydrophobicContact CG-CB 4Å; W159-F175 WeakPolarHBondContact O-CA 2.96Å; W159-Y176 AromaticContact CD1-CD2 3.46Å; W159-Y176 VanDerWaalsContact CD1-CD2 3.46Å; W159-Y176 AromaticContact CD1-CE2 3.94Å; W159-Y176 VanDerWaalsContact CD2-CB 3.47Å; W159-Y176 AromaticContact CD2-CD2 3.99Å; W159-Y176 HydrophobicContact CD2-CD2 3.99Å; W159-Y176 AromaticContact CD2-CG 3.85Å; W159-Y176 HydrophobicContact CD2-CG 3.85Å; W159-Y176 AromaticContact CE2-CD1 3.71Å; W159-Y176 AromaticContact CE2-CD2 3.33Å; W159-Y176 AromaticContact CE2-CE2 3.95Å; W159-Y176 AromaticContact CE2-CG 3.17Å; W159-Y176 HydrophobicContact CE3-CG 4.42Å; W159-Y176 HydrophobicContact CG-CD2 4.06Å; W159-Y176 HydrophobicContact CG-CG 4.39Å; W159-Y176 AromaticContact CH2-CD1 3.86Å; W159-Y176 HydrophobicContact CH2-CD1 3.86Å; W159-Y176 AromaticContact CH2-CG 3.87Å; W159-Y176 HydrophobicContact CH2-CG 3.87Å; W159-Y176 AromaticContact CZ2-CD1 3.22Å; W159-Y176 HydrophobicContact CZ2-CD1 3.22Å; W159-Y176 AromaticContact CZ2-CD2 3.82Å; W159-Y176 HydrophobicContact CZ2-CD2 3.82Å; W159-Y176 AromaticContact CZ2-CE1 3.83Å; W159-Y176 HydrophobicContact CZ2-CE1 3.83Å; W159-Y176 HydrophobicContact CZ2-CE2 4.35Å; W159-Y176 AromaticContact CZ2-CG 3.2Å; W159-Y176 HydrophobicContact CZ2-CG 3.2Å; W159-Y176 HydrophobicContact CZ3-CG 4.43Å; W159-Y176 PolarHBondContact N-O 2.93Å; W159-Y176 AromaticContact NE1-CD2 2.97Å; W159-Y176 AromaticContact NE1-CE2 3.28Å; W159-Y176 VanDerWaalsContact NE1-CE2 3.28Å; W159-Y176 AromaticContact NE1-CG 3.4Å; W159-Y176 AromaticContact NE1-CZ 3.94Å; W159-Y176 PolarHBondContact O-N 2.83Å
160	Y	98.4	Very high	97.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.4	174.3	169.7	-92.1	0	0	0	109.7	I151 I152 S163 W164 R169 K174 F175 W188	I151-Y160 CarbonylContact C-O 3.54Å; I151-Y160 VanDerWaalsContact CA-O 3.22Å; I151-Y160 WeakPolarHBondContact CA-O 3.38Å; I152-Y160 HydrophobicContact CG2-CD1 4.35Å; I152-Y160 PolarHBondContact N-O 2.87Å; I152-Y160 PolarHBondContact O-N 2.83Å; Y160-S163 PolarHBondContact OH-O 3.1Å; Y160-W164 AromaticContact CD1-CE2 3.89Å; Y160-W164 HydrophobicContact CD1-CH2 4.4Å; Y160-W164 AromaticContact CD1-CZ2 3.55Å; Y160-W164 HydrophobicContact CD1-CZ2 3.55Å; Y160-W164 AromaticContact CE1-CE2 3.73Å; Y160-W164 AromaticContact CE1-CZ2 3.86Å; Y160-W164 HydrophobicContact CE1-CZ2 3.86Å; Y160-W164 AromaticContact CE1-NE1 3.65Å; Y160-R169 HydrophobicContact CD1-CG 3.78Å; Y160-R169 HydrophobicContact CE1-CB 3.97Å; Y160-R169 HydrophobicContact CE1-CG 3.47Å; Y160-R169 VanDerWaalsContact CE1-CG 3.47Å; Y160-R169 HydrophobicContact CE2-CB 4.43Å; Y160-R169 HydrophobicContact CE2-CG 4.28Å; Y160-R169 HydrophobicContact CG-CG 4.29Å; Y160-K174 CarbonylContact C-O 3.57Å; Y160-K174 VanDerWaalsContact CA-O 3.28Å; Y160-K174 WeakPolarHBondContact CA-O 3.48Å; Y160-K174 WeakPolarHBondContact CD2-O 3.36Å; Y160-F175 HydrophobicContact CD2-CB 4.22Å; Y160-F175 HydrophobicContact CD2-CD2 4.1Å; Y160-F175 HydrophobicContact CG-CD2 4.39Å; Y160-W188 HydrophobicContact CD2-CZ2 4.17Å; Y160-W188 AromaticContact CE2-CD2 3.94Å; Y160-W188 HydrophobicContact CE2-CD2 3.94Å; Y160-W188 AromaticContact CE2-CE2 3.75Å; Y160-W188 HydrophobicContact CE2-CE3 4.11Å; Y160-W188 AromaticContact CE2-CH2 3.99Å; Y160-W188 HydrophobicContact CE2-CH2 3.99Å; Y160-W188 AromaticContact CE2-CZ2 3.77Å; Y160-W188 HydrophobicContact CE2-CZ2 3.77Å; Y160-W188 HydrophobicContact CE2-CZ3 4.15Å
161	E	98.3	Very high	97.6	Very high	90 Å²	90	54.7 Å²	54.7	42%	0.421	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.8	171.6	172.8	176.9	-176.9	0	0	108.3	I151 G173 K174	I151-E161 HydrophobicContact CD1-CG 4.32Å; I151-E161 HydrophobicContact CG1-CB 3.98Å; I151-E161 HydrophobicContact CG1-CG 3.85Å; E161-G173 CarbonylContact O-C 3.37Å; E161-G173 VanDerWaalsContact O-CA 3.23Å; E161-G173 WeakPolarHBondContact O-CA 3.24Å; E161-K174 PolarHBondContact N-O 3.47Å; E161-K174 PolarHBondContact O-N 2.87Å
162	G	98.3	Very high	97.6	Very high	3 Å²	3	56.8 Å²	56.8	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-158.7	178.8	0	0	0	0	0	114.3	R149 G150 W164 D172	R149-G162 WeakPolarHBondContact CA-O 3.43Å; G150-G162 PolarHBondContact N-O 3.46Å; G150-G162 PolarHBondContact O-N 3.03Å; G162-W164 VanDerWaalsContact O-CD1 3.25Å; G162-D172 WeakPolarHBondContact CA-O 3.12Å
163	S	98.4	Very high	97.6	Very high	20 Å²	20	56.5 Å²	56.5	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.9	-178.5	-55.2	0	0	0	0	111.5	G148 R149 Y160 N170 D172	G148-S163 CarbonylContact O-C 3.53Å; G148-S163 WeakPolarHBondContact O-CA 3.46Å; R149-S163 PolarHBondContact NH1-OG 3.05Å; R149-S163 VanDerWaalsContact NH1-OG 3.17Å; Y160-S163 PolarHBondContact OH-O 3.1Å; S163-N170 CarbonylContact C-O 3.45Å; S163-N170 WeakPolarHBondContact CB-O 3.43Å; S163-N170 PolarHBondContact O-N 3.25Å; S163-N170 VanDerWaalsContact O-O 3.13Å; S163-D172 PolarHBondContact N-O 3.12Å; S163-D172 PolarHBondContact OG-O 2.74Å
164	W	98.5	Very high	97.6	Very high	23 Å²	23	54.7 Å²	54.7	9%	0.087	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.4	-175.7	-65.3	83.3	0	0	0	111	Y137 H147 G148 G150 I152 Y160 G162 K168 R169	Y137-W164 HydrophobicContact CD2-CH2 4.38Å; Y137-W164 HydrophobicContact CD2-CZ2 4.04Å; Y137-W164 AromaticContact CE2-CD2 3.99Å; Y137-W164 HydrophobicContact CE2-CD2 3.99Å; Y137-W164 AromaticContact CE2-CE2 3.63Å; Y137-W164 HydrophobicContact CE2-CG 4.34Å; Y137-W164 HydrophobicContact CE2-CH2 4.39Å; Y137-W164 AromaticContact CE2-CZ2 3.84Å; Y137-W164 HydrophobicContact CE2-CZ2 3.84Å; Y137-W164 AromaticContact CE2-NE1 3.81Å; H147-W164 CarbonylContact C-O 3.54Å; H147-W164 WeakPolarHBondContact CA-O 3.07Å; G148-W164 PolarHBondContact N-O 2.83Å; G148-W164 PolarHBondContact O-N 3Å; G150-W164 PolarHBondContact O-NE1 2.79Å; I152-W164 HydrophobicContact CB-CH2 4.18Å; I152-W164 HydrophobicContact CB-CZ2 4Å; I152-W164 HydrophobicContact CD1-CH2 4.41Å; I152-W164 HydrophobicContact CG2-CH2 3.79Å; I152-W164 HydrophobicContact CG2-CZ2 3.65Å; Y160-W164 AromaticContact CD1-CE2 3.89Å; Y160-W164 HydrophobicContact CD1-CH2 4.4Å; Y160-W164 AromaticContact CD1-CZ2 3.55Å; Y160-W164 HydrophobicContact CD1-CZ2 3.55Å; Y160-W164 AromaticContact CE1-CE2 3.73Å; Y160-W164 AromaticContact CE1-CZ2 3.86Å; Y160-W164 HydrophobicContact CE1-CZ2 3.86Å; Y160-W164 AromaticContact CE1-NE1 3.65Å; G162-W164 VanDerWaalsContact O-CD1 3.25Å; W164-K168 CarbonylContact C-O 3.55Å; W164-K168 WeakPolarHBondContact CA-O 3.24Å; W164-R169 HydrophobicContact CD2-CG 4.5Å; W164-R169 HydrophobicContact CE3-CG 4.23Å; W164-R169 HydrophobicContact CH2-CG 3.85Å; W164-R169 HydrophobicContact CZ2-CG 4.12Å; W164-R169 HydrophobicContact CZ3-CG 3.9Å
165	R	98.4	Very high	97.6	Very high	139 Å²	139	53.2 Å²	53.2	53%	0.525	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.8	173.9	-171.6	-178.6	-60.1	-161.9	1.8	109.3	G167 K168 N170	R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 2.8Å; R165-K168 PolarHBondContact N-O 2.77Å; R165-K168 PolarHBondContact O-N 2.88Å; R165-N170 HydrophobicContact CB-CB 3.64Å
166	D	97	Very high	97.6	Very high	90 Å²	90	51.3 Å²	51.3	48%	0.481	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.6	175.4	-75.3	-68.6	0	0	0	114.4	K145 K168	K145-D166 HydrophobicContact CD-CB 4.11Å; K145-D166 WeakPolarHBondContact CD-OD1 3.46Å; K145-D166 IonicContact NZ-OD1 2.73Å; K145-D166 PolarHBondContact NZ-OD1 2.73Å; D166-K168 VanDerWaalsContact C-N 3.29Å; D166-K168 PolarHBondContact O-N 2.82Å
167	G	96.8	Very high	97.6	Very high	38 Å²	38	49.5 Å²	49.5	39%	0.392	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	1.4	179.4	0	0	0	0	0	114.3	T146 R165	T146-G167 PolarHBondContact O-N 3.34Å; T146-G167 VanDerWaalsContact OG1-CA 3.23Å; T146-G167 WeakPolarHBondContact OG1-CA 3.32Å; R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 2.8Å
168	K	97.9	Very high	97.5	Very high	103 Å²	103	49.6 Å²	49.6	45%	0.448	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.4	-175.3	-58.7	-178.8	-175.9	177.9	0	111.3	W164 R165 D166 N170 D190	W164-K168 CarbonylContact C-O 3.55Å; W164-K168 WeakPolarHBondContact CA-O 3.24Å; R165-K168 PolarHBondContact N-O 2.77Å; R165-K168 PolarHBondContact O-N 2.88Å; D166-K168 VanDerWaalsContact C-N 3.29Å; D166-K168 PolarHBondContact O-N 2.82Å; K168-N170 PolarHBondContact O-N 3.27Å; K168-D190 HydrophobicContact CD-CB 3.94Å
169	R	97.9	Very high	97.4	Very high	62 Å²	62	51.5 Å²	51.5	23%	0.234	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	123.7	168.8	-56.8	175.4	-69.6	-169.7	0.1	109	Y160 W164 W188 G191	Y160-R169 HydrophobicContact CD1-CG 3.78Å; Y160-R169 HydrophobicContact CE1-CB 3.97Å; Y160-R169 HydrophobicContact CE1-CG 3.47Å; Y160-R169 VanDerWaalsContact CE1-CG 3.47Å; Y160-R169 HydrophobicContact CE2-CB 4.43Å; Y160-R169 HydrophobicContact CE2-CG 4.28Å; Y160-R169 HydrophobicContact CG-CG 4.29Å; W164-R169 HydrophobicContact CD2-CG 4.5Å; W164-R169 HydrophobicContact CE3-CG 4.23Å; W164-R169 HydrophobicContact CH2-CG 3.85Å; W164-R169 HydrophobicContact CZ2-CG 4.12Å; W164-R169 HydrophobicContact CZ3-CG 3.9Å; R169-W188 HydrophobicContact CB-CB 4.13Å; R169-W188 HydrophobicContact CB-CG 4.1Å; R169-G191 PolarHBondContact NH2-O 2.8Å; R169-G191 PolarHBondContact O-N 2.76Å
170	N	98.3	Very high	97.1	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	118.7	-173.4	-163.5	-59	0	0	0	110.2	S163 R165 K168 W188 D190	S163-N170 CarbonylContact C-O 3.45Å; S163-N170 WeakPolarHBondContact CB-O 3.43Å; S163-N170 PolarHBondContact O-N 3.25Å; S163-N170 VanDerWaalsContact O-O 3.13Å; R165-N170 HydrophobicContact CB-CB 3.64Å; K168-N170 PolarHBondContact O-N 3.27Å; N170-W188 CarbonylContact C-O 3.51Å; N170-W188 WeakPolarHBondContact CA-O 3.28Å; N170-D190 PolarHBondContact ND2-N 2.81Å; N170-D190 PolarHBondContact ND2-OD1 2.84Å
171	G	98	Very high	96.9	Very high	9 Å²	9	51.5 Å²	51.5	9%	0.093	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.2	-162.1	-170.4	0	0	0	0	0	112.7	W188	G171-W188 PolarHBondContact N-O 2.81Å; G171-W188 PolarHBondContact O-N 3.2Å
172	D	98.3	Very high	96.6	Very high	92 Å²	92	47.9 Å²	47.9	49%	0.492	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.3	179.6	-51.3	-76.6	0	0	0	112.2	G162 S163 G186	G162-D172 WeakPolarHBondContact CA-O 3.12Å; S163-D172 PolarHBondContact N-O 3.12Å; S163-D172 PolarHBondContact OG-O 2.74Å; D172-G186 WeakPolarHBondContact CA-O 3.5Å
173	G	98.1	Very high	96.5	Very high	8 Å²	8	48.5 Å²	48.5	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	179	177.3	0	0	0	0	0	115.1	E161 G186 W188	E161-G173 CarbonylContact O-C 3.37Å; E161-G173 VanDerWaalsContact O-CA 3.23Å; E161-G173 WeakPolarHBondContact O-CA 3.24Å; G173-G186 PolarHBondContact N-O 3Å; G173-G186 VanDerWaalsContact N-O 3.12Å; G173-G186 PolarHBondContact O-N 3.42Å; G173-G186 VanDerWaalsContact O-N 3.1Å; G173-W188 VanDerWaalsContact C-CH2 3.48Å; G173-W188 VanDerWaalsContact CA-CZ3 3.44Å; G173-W188 VanDerWaalsContact O-CH2 3.3Å; G173-W188 WeakPolarHBondContact O-CH2 3.28Å; G173-W188 WeakPolarHBondContact O-CZ3 3.18Å
174	K	98.3	Very high	96.4	Very high	72 Å²	72	48.6 Å²	48.6	31%	0.313	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.5	-178.2	-69.5	-177.8	-179.5	-175.6	0	108.3	Y160 E161 Y176 L183 Y184 E185	Y160-K174 CarbonylContact C-O 3.57Å; Y160-K174 VanDerWaalsContact CA-O 3.28Å; Y160-K174 WeakPolarHBondContact CA-O 3.48Å; Y160-K174 WeakPolarHBondContact CD2-O 3.36Å; E161-K174 PolarHBondContact N-O 3.47Å; E161-K174 PolarHBondContact O-N 2.87Å; K174-Y176 HydrophobicContact CB-CD2 4.38Å; K174-Y176 HydrophobicContact CB-CE2 3.63Å; K174-L183 HydrophobicContact CB-CD1 3.78Å; K174-L183 HydrophobicContact CG-CD1 4.17Å; K174-Y184 CarbonylContact C-O 3.51Å; K174-Y184 WeakPolarHBondContact CA-O 3.3Å; K174-E185 VanDerWaalsContact CE-CD 3.4Å; K174-E185 WeakPolarHBondContact CE-OE1 3.34Å; K174-E185 HydrophobicContact CG-CB 4.34Å; K174-E185 HydrophobicContact CG-CG 4.16Å; K174-E185 IonicContact NZ-OE1 2.98Å; K174-E185 PolarHBondContact NZ-OE1 2.84Å
175	F	97.8	Very high	96.3	Very high	19 Å²	19	51.4 Å²	51.4	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.6	174.8	-166.7	-74.7	0	0	0	109.2	F154 N158 W159 Y160 Y177 Y184 W188	F154-F175 HydrophobicContact CD2-CE2 4.38Å; F154-F175 HydrophobicContact CD2-CZ 4.33Å; F154-F175 AromaticContact CE2-CE2 3.63Å; F154-F175 HydrophobicContact CE2-CE2 3.63Å; F154-F175 HydrophobicContact CE2-CZ 4.02Å; F154-F175 HydrophobicContact CZ-CE2 4.37Å; N158-F175 HydrophobicContact CB-CE1 3.95Å; N158-F175 HydrophobicContact CB-CZ 3.97Å; W159-F175 WeakPolarHBondContact O-CA 2.96Å; Y160-F175 HydrophobicContact CD2-CB 4.22Å; Y160-F175 HydrophobicContact CD2-CD2 4.1Å; Y160-F175 HydrophobicContact CG-CD2 4.39Å; F175-Y177 HydrophobicContact CD1-CD1 4.01Å; F175-Y177 AromaticContact CD1-CD2 3.73Å; F175-Y177 HydrophobicContact CD1-CD2 3.73Å; F175-Y177 AromaticContact CD1-CE1 3.7Å; F175-Y177 HydrophobicContact CD1-CE1 3.7Å; F175-Y177 AromaticContact CD1-CE2 3.4Å; F175-Y177 HydrophobicContact CD1-CE2 3.4Å; F175-Y177 VanDerWaalsContact CD1-CE2 3.4Å; F175-Y177 HydrophobicContact CD1-CG 4.02Å; F175-Y177 AromaticContact CD1-CZ 3.38Å; F175-Y177 AromaticContact CE1-CD1 3.62Å; F175-Y177 HydrophobicContact CE1-CD1 3.62Å; F175-Y177 HydrophobicContact CE1-CD2 4.21Å; F175-Y177 AromaticContact CE1-CE1 3.39Å; F175-Y177 HydrophobicContact CE1-CE1 3.39Å; F175-Y177 HydrophobicContact CE1-CE2 4.01Å; F175-Y177 HydrophobicContact CE1-CG 4.03Å; F175-Y177 AromaticContact CE1-CZ 3.6Å; F175-Y177 HydrophobicContact CG-CE2 4.28Å; F175-Y177 HydrophobicContact CZ-CE1 4.34Å; F175-Y184 PolarHBondContact N-O 3.3Å; F175-Y184 PolarHBondContact O-N 3.27Å; F175-W188 HydrophobicContact CB-CZ2 4.13Å
176	Y	96.9	Very high	96.3	Very high	41 Å²	41	45.4 Å²	45.4	16%	0.161	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.8	-177.6	-61.5	-102	0	0	0	109.2	N158 W159 K174 L183	N158-Y176 WeakPolarHBondContact CA-O 3.3Å; N158-Y176 WeakPolarHBondContact CB-O 3.23Å; W159-Y176 AromaticContact CD1-CD2 3.46Å; W159-Y176 VanDerWaalsContact CD1-CD2 3.46Å; W159-Y176 AromaticContact CD1-CE2 3.94Å; W159-Y176 VanDerWaalsContact CD2-CB 3.47Å; W159-Y176 AromaticContact CD2-CD2 3.99Å; W159-Y176 HydrophobicContact CD2-CD2 3.99Å; W159-Y176 AromaticContact CD2-CG 3.85Å; W159-Y176 HydrophobicContact CD2-CG 3.85Å; W159-Y176 AromaticContact CE2-CD1 3.71Å; W159-Y176 AromaticContact CE2-CD2 3.33Å; W159-Y176 AromaticContact CE2-CE2 3.95Å; W159-Y176 AromaticContact CE2-CG 3.17Å; W159-Y176 HydrophobicContact CE3-CG 4.42Å; W159-Y176 HydrophobicContact CG-CD2 4.06Å; W159-Y176 HydrophobicContact CG-CG 4.39Å; W159-Y176 AromaticContact CH2-CD1 3.86Å; W159-Y176 HydrophobicContact CH2-CD1 3.86Å; W159-Y176 AromaticContact CH2-CG 3.87Å; W159-Y176 HydrophobicContact CH2-CG 3.87Å; W159-Y176 AromaticContact CZ2-CD1 3.22Å; W159-Y176 HydrophobicContact CZ2-CD1 3.22Å; W159-Y176 AromaticContact CZ2-CD2 3.82Å; W159-Y176 HydrophobicContact CZ2-CD2 3.82Å; W159-Y176 AromaticContact CZ2-CE1 3.83Å; W159-Y176 HydrophobicContact CZ2-CE1 3.83Å; W159-Y176 HydrophobicContact CZ2-CE2 4.35Å; W159-Y176 AromaticContact CZ2-CG 3.2Å; W159-Y176 HydrophobicContact CZ2-CG 3.2Å; W159-Y176 HydrophobicContact CZ3-CG 4.43Å; W159-Y176 PolarHBondContact N-O 2.93Å; W159-Y176 AromaticContact NE1-CD2 2.97Å; W159-Y176 AromaticContact NE1-CE2 3.28Å; W159-Y176 VanDerWaalsContact NE1-CE2 3.28Å; W159-Y176 AromaticContact NE1-CG 3.4Å; W159-Y176 AromaticContact NE1-CZ 3.94Å; W159-Y176 PolarHBondContact O-N 2.83Å; K174-Y176 HydrophobicContact CB-CD2 4.38Å; K174-Y176 HydrophobicContact CB-CE2 3.63Å; Y176-L183 HydrophobicContact CD1-CB 4.41Å; Y176-L183 HydrophobicContact CD1-CD1 3.94Å; Y176-L183 HydrophobicContact CD2-CD1 4.21Å; Y176-L183 HydrophobicContact CE1-CD1 3.75Å; Y176-L183 HydrophobicContact CE1-CD2 4.32Å; Y176-L183 HydrophobicContact CE1-CG 4.42Å; Y176-L183 HydrophobicContact CE2-CD1 4.04Å; Y176-L183 HydrophobicContact CG-CD1 4.19Å
177	Y	95.4	Very high	96.3	Very high	66 Å²	66	44.8 Å²	44.8	26%	0.259	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	92.5	174.5	-62.8	-87.4	0	0	0	108.3	N158 F175 D179 K180 G181 L182 F198	N158-Y177 VanDerWaalsContact OD1-CA 3.3Å; N158-Y177 WeakPolarHBondContact OD1-CA 3.42Å; F175-Y177 HydrophobicContact CD1-CD1 4.01Å; F175-Y177 AromaticContact CD1-CD2 3.73Å; F175-Y177 HydrophobicContact CD1-CD2 3.73Å; F175-Y177 AromaticContact CD1-CE1 3.7Å; F175-Y177 HydrophobicContact CD1-CE1 3.7Å; F175-Y177 AromaticContact CD1-CE2 3.4Å; F175-Y177 HydrophobicContact CD1-CE2 3.4Å; F175-Y177 VanDerWaalsContact CD1-CE2 3.4Å; F175-Y177 HydrophobicContact CD1-CG 4.02Å; F175-Y177 AromaticContact CD1-CZ 3.38Å; F175-Y177 AromaticContact CE1-CD1 3.62Å; F175-Y177 HydrophobicContact CE1-CD1 3.62Å; F175-Y177 HydrophobicContact CE1-CD2 4.21Å; F175-Y177 AromaticContact CE1-CE1 3.39Å; F175-Y177 HydrophobicContact CE1-CE1 3.39Å; F175-Y177 HydrophobicContact CE1-CE2 4.01Å; F175-Y177 HydrophobicContact CE1-CG 4.03Å; F175-Y177 AromaticContact CE1-CZ 3.6Å; F175-Y177 HydrophobicContact CG-CE2 4.28Å; F175-Y177 HydrophobicContact CZ-CE1 4.34Å; Y177-D179 VanDerWaalsContact C-N 3.27Å; Y177-D179 PolarHBondContact O-N 3.29Å; Y177-K180 PolarHBondContact O-N 2.97Å; Y177-G181 PolarHBondContact O-N 3.38Å; Y177-L182 HydrophobicContact CD2-CB 4.27Å; Y177-L182 PolarHBondContact N-O 2.97Å; Y177-L182 PolarHBondContact O-N 2.77Å; Y177-F198 HydrophobicContact CD2-CE1 4.33Å; Y177-F198 AromaticContact CE2-CE1 3.83Å; Y177-F198 HydrophobicContact CE2-CE1 3.83Å
178	S	93	Very high	96.4	Very high	41 Å²	41	43.3 Å²	43.3	29%	0.287	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.7	-174.9	56	0	0	0	0	112.4	G157 N158 K180	G157-S178 PolarHBondContact O-OG 2.81Å; N158-S178 PolarHBondContact N-OG 2.85Å; N158-S178 PolarHBondContact OD1-N 2.71Å; N158-S178 PolarHBondContact OD1-OG 2.74Å; S178-K180 VanDerWaalsContact C-N 3.27Å; S178-K180 PolarHBondContact O-N 3.44Å
179	D	92.9	Very high	96.4	Very high	55 Å²	55	40.8 Å²	40.8	29%	0.294	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.5	177.2	64.4	-30.9	0	0	0	113	Y177 P207 S208	Y177-D179 VanDerWaalsContact C-N 3.27Å; Y177-D179 PolarHBondContact O-N 3.29Å; D179-P207 WeakPolarHBondContact O-CD 3.33Å; D179-S208 CarbonylContact O-C 3.47Å; D179-S208 WeakPolarHBondContact O-CA 3.39Å; D179-S208 PolarHBondContact O-N 2.87Å; D179-S208 PolarHBondContact O-OG 2.88Å
180	K	92.3	Very high	96.3	Very high	84 Å²	84	42 Å²	42	37%	0.365	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-11.8	-175.6	-66.1	171.6	-171.9	-179.1	0	113.7	Y177 S178 L182 A206	Y177-K180 PolarHBondContact O-N 2.97Å; S178-K180 VanDerWaalsContact C-N 3.27Å; S178-K180 PolarHBondContact O-N 3.44Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 HydrophobicContact CB-CB 4.32Å; K180-L182 HydrophobicContact CB-CD1 3.82Å; K180-L182 HydrophobicContact CB-CG 3.77Å; K180-L182 HydrophobicContact CD-CD1 4.16Å; K180-A206 VanDerWaalsContact C-CB 3.48Å
181	G	93.2	Very high	96.2	Very high	6 Å²	6	42 Å²	42	6%	0.062	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	44.1	-170	0	0	0	0	0	111.2	Y177 V201	Y177-G181 PolarHBondContact O-N 3.38Å; G181-V201 CarbonylContact C-O 3.03Å; G181-V201 WeakPolarHBondContact CA-O 3.23Å; G181-V201 CarbonylContact O-C 3.2Å; G181-V201 PolarHBondContact O-N 3.06Å
182	L	93.8	Very high	96.1	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.7	-179.5	-62.9	177.3	0	0	0	111.4	Y177 K180 F198 P210 F214	Y177-L182 HydrophobicContact CD2-CB 4.27Å; Y177-L182 PolarHBondContact N-O 2.97Å; Y177-L182 PolarHBondContact O-N 2.77Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 HydrophobicContact CB-CB 4.32Å; K180-L182 HydrophobicContact CB-CD1 3.82Å; K180-L182 HydrophobicContact CB-CG 3.77Å; K180-L182 HydrophobicContact CD-CD1 4.16Å; L182-F198 HydrophobicContact CD1-CD1 4.47Å; L182-P210 HydrophobicContact CD1-CG 3.7Å; L182-P210 HydrophobicContact CD2-CG 4.09Å; L182-P210 HydrophobicContact CG-CG 4.15Å; L182-F214 HydrophobicContact CD1-CE2 3.98Å; L182-F214 HydrophobicContact CD2-CD2 3.73Å; L182-F214 HydrophobicContact CD2-CE2 3.51Å; L182-F214 HydrophobicContact CG-CE2 4.39Å
183	L	95.2	Very high	96	Very high	17 Å²	17	44.3 Å²	44.3	9%	0.089	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.2	166.2	167.4	60.5	0	0	0	108.8	K174 Y176 F198 V199 V201	K174-L183 HydrophobicContact CB-CD1 3.78Å; K174-L183 HydrophobicContact CG-CD1 4.17Å; Y176-L183 HydrophobicContact CD1-CB 4.41Å; Y176-L183 HydrophobicContact CD1-CD1 3.94Å; Y176-L183 HydrophobicContact CD2-CD1 4.21Å; Y176-L183 HydrophobicContact CE1-CD1 3.75Å; Y176-L183 HydrophobicContact CE1-CD2 4.32Å; Y176-L183 HydrophobicContact CE1-CG 4.42Å; Y176-L183 HydrophobicContact CE2-CD1 4.04Å; Y176-L183 HydrophobicContact CG-CD1 4.19Å; L183-F198 CarbonylContact O-C 3.36Å; L183-F198 WeakPolarHBondContact O-CA 3.34Å; L183-V199 PolarHBondContact N-O 3.19Å; L183-V199 PolarHBondContact O-N 3.37Å; L183-V201 HydrophobicContact CB-CB 4.19Å; L183-V201 HydrophobicContact CB-CG2 3.6Å; L183-V201 HydrophobicContact CD2-CG2 4.14Å
184	Y	95.8	Very high	96	Very high	22 Å²	22	50 Å²	50	9%	0.086	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118	163.1	176.7	-91.6	0	0	0	109.5	K174 F175 W188 A193 C195 G196 T197 F198	K174-Y184 CarbonylContact C-O 3.51Å; K174-Y184 WeakPolarHBondContact CA-O 3.3Å; F175-Y184 PolarHBondContact N-O 3.3Å; F175-Y184 PolarHBondContact O-N 3.27Å; Y184-W188 AromaticContact CD1-CH2 3.35Å; Y184-W188 HydrophobicContact CD1-CH2 3.35Å; Y184-W188 AromaticContact CD1-CZ2 3.32Å; Y184-W188 HydrophobicContact CD1-CZ2 3.32Å; Y184-W188 HydrophobicContact CD1-CZ3 4.45Å; Y184-W188 AromaticContact CE1-CH2 3.37Å; Y184-W188 HydrophobicContact CE1-CH2 3.37Å; Y184-W188 AromaticContact CE1-CZ2 3.35Å; Y184-W188 HydrophobicContact CE1-CZ2 3.35Å; Y184-W188 HydrophobicContact CE1-CZ3 4.12Å; Y184-A193 HydrophobicContact CE1-CB 3.84Å; Y184-C195 PolarHBondContact OH-O 2.96Å; Y184-G196 WeakPolarHBondContact OH-CA 3.31Å; Y184-G196 PolarHBondContact OH-N 3.48Å; Y184-T197 WeakPolarHBondContact CA-O 3.27Å; Y184-F198 HydrophobicContact CD2-CD1 4.19Å; Y184-F198 AromaticContact CD2-CD2 3.84Å; Y184-F198 HydrophobicContact CD2-CD2 3.84Å; Y184-F198 AromaticContact CD2-CE1 3.88Å; Y184-F198 HydrophobicContact CD2-CE1 3.88Å; Y184-F198 AromaticContact CD2-CE2 3.49Å; Y184-F198 HydrophobicContact CD2-CE2 3.49Å; Y184-F198 VanDerWaalsContact CD2-CE2 3.49Å; Y184-F198 HydrophobicContact CD2-CG 4.19Å; Y184-F198 AromaticContact CD2-CZ 3.51Å; Y184-F198 HydrophobicContact CD2-CZ 3.51Å; Y184-F198 HydrophobicContact CE2-CD2 4.43Å; Y184-F198 AromaticContact CE2-CE2 3.98Å; Y184-F198 HydrophobicContact CE2-CE2 3.98Å; Y184-F198 HydrophobicContact CE2-CZ 4.3Å; Y184-F198 HydrophobicContact CG-CE1 4.23Å; Y184-F198 HydrophobicContact CG-CZ 4.18Å
185	E	97.3	Very high	95.7	Very high	82 Å²	82	50.3 Å²	50.3	38%	0.383	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130	175.1	179.4	165.1	-155.4	0	0	109.4	K174 G196 T197	K174-E185 VanDerWaalsContact CE-CD 3.4Å; K174-E185 WeakPolarHBondContact CE-OE1 3.34Å; K174-E185 HydrophobicContact CG-CB 4.34Å; K174-E185 HydrophobicContact CG-CG 4.16Å; K174-E185 IonicContact NZ-OE1 2.98Å; K174-E185 PolarHBondContact NZ-OE1 2.84Å; E185-G196 CarbonylContact O-C 3.56Å; E185-G196 WeakPolarHBondContact O-CA 3.28Å; E185-T197 PolarHBondContact N-O 2.81Å; E185-T197 PolarHBondContact O-N 3.12Å
186	G	97.3	Very high	95.5	Very high	13 Å²	13	51.4 Å²	51.4	13%	0.134	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	-153.5	-173.9	0	0	0	0	0	116.1	D172 G173 W188 C195	D172-G186 WeakPolarHBondContact CA-O 3.5Å; G173-G186 PolarHBondContact N-O 3Å; G173-G186 VanDerWaalsContact N-O 3.12Å; G173-G186 PolarHBondContact O-N 3.42Å; G173-G186 VanDerWaalsContact O-N 3.1Å; G186-W188 WeakPolarHBondContact O-CZ3 2.95Å; G186-C195 CarbonylContact C-O 3.51Å; G186-C195 WeakPolarHBondContact CA-O 3.46Å
187	F	97.8	Very high	95.3	Very high	77 Å²	77	53.1 Å²	53.1	34%	0.338	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.6	-179.2	-163.2	-92.2	0	0	0	111.5	V189 K194 C195	F187-V189 HydrophobicContact CD1-CG2 4.08Å; F187-V189 HydrophobicContact CE1-CG2 3.75Å; F187-K194 PolarHBondContact O-N 3.49Å; F187-C195 PolarHBondContact N-O 2.88Å
188	W	98.3	Very high	95.2	Very high	6 Å²	6	54.2 Å²	54.2	2%	0.023	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.6	-179.1	-74.1	-106.6	0	0	0	111.7	Y160 R169 N170 G171 G173 F175 Y184 G186 I192	Y160-W188 HydrophobicContact CD2-CZ2 4.17Å; Y160-W188 AromaticContact CE2-CD2 3.94Å; Y160-W188 HydrophobicContact CE2-CD2 3.94Å; Y160-W188 AromaticContact CE2-CE2 3.75Å; Y160-W188 HydrophobicContact CE2-CE3 4.11Å; Y160-W188 AromaticContact CE2-CH2 3.99Å; Y160-W188 HydrophobicContact CE2-CH2 3.99Å; Y160-W188 AromaticContact CE2-CZ2 3.77Å; Y160-W188 HydrophobicContact CE2-CZ2 3.77Å; Y160-W188 HydrophobicContact CE2-CZ3 4.15Å; R169-W188 HydrophobicContact CB-CB 4.13Å; R169-W188 HydrophobicContact CB-CG 4.1Å; N170-W188 CarbonylContact C-O 3.51Å; N170-W188 WeakPolarHBondContact CA-O 3.28Å; G171-W188 PolarHBondContact N-O 2.81Å; G171-W188 PolarHBondContact O-N 3.2Å; G173-W188 VanDerWaalsContact C-CH2 3.48Å; G173-W188 VanDerWaalsContact CA-CZ3 3.44Å; G173-W188 VanDerWaalsContact O-CH2 3.3Å; G173-W188 WeakPolarHBondContact O-CH2 3.28Å; G173-W188 WeakPolarHBondContact O-CZ3 3.18Å; F175-W188 HydrophobicContact CB-CZ2 4.13Å; Y184-W188 AromaticContact CD1-CH2 3.35Å; Y184-W188 HydrophobicContact CD1-CH2 3.35Å; Y184-W188 AromaticContact CD1-CZ2 3.32Å; Y184-W188 HydrophobicContact CD1-CZ2 3.32Å; Y184-W188 HydrophobicContact CD1-CZ3 4.45Å; Y184-W188 AromaticContact CE1-CH2 3.37Å; Y184-W188 HydrophobicContact CE1-CH2 3.37Å; Y184-W188 AromaticContact CE1-CZ2 3.35Å; Y184-W188 HydrophobicContact CE1-CZ2 3.35Å; Y184-W188 HydrophobicContact CE1-CZ3 4.12Å; G186-W188 WeakPolarHBondContact O-CZ3 2.95Å; W188-I192 WeakPolarHBondContact CA-O 3.45Å
189	V	98.1	Very high	95	Very high	50 Å²	50	55.4 Å²	55.4	30%	0.303	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121	168.6	-179.8	0	0	0	0	108.1	F187 G191 I192 K194	F187-V189 HydrophobicContact CD1-CG2 4.08Å; F187-V189 HydrophobicContact CE1-CG2 3.75Å; V189-G191 VanDerWaalsContact C-N 3.25Å; V189-G191 PolarHBondContact O-N 2.78Å; V189-I192 PolarHBondContact N-O 2.98Å; V189-I192 PolarHBondContact O-N 2.87Å; V189-K194 HydrophobicContact CB-CG 4.07Å; V189-K194 HydrophobicContact CG2-CG 3.8Å
190	D	96.5	Very high	94.9	Very high	88 Å²	88	54.7 Å²	54.7	47%	0.471	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	42.1	178.9	-61.6	-34.2	0	0	0	114.3	K168 N170 I192	K168-D190 HydrophobicContact CD-CB 3.94Å; N170-D190 PolarHBondContact ND2-N 2.81Å; N170-D190 PolarHBondContact ND2-OD1 2.84Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 2.84Å
191	G	95.1	Very high	94.7	Very high	20 Å²	20	53.9 Å²	53.9	21%	0.206	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-6.1	178.6	0	0	0	0	0	114.5	R169 V189	R169-G191 PolarHBondContact NH2-O 2.8Å; R169-G191 PolarHBondContact O-N 2.76Å; V189-G191 VanDerWaalsContact C-N 3.25Å; V189-G191 PolarHBondContact O-N 2.78Å
192	I	96.6	Very high	94.2	Very high	104 Å²	104	55.6 Å²	55.6	53%	0.533	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.5	-177.9	-56.1	172.9	0	0	0	109.7	W188 V189 D190	W188-I192 WeakPolarHBondContact CA-O 3.45Å; V189-I192 PolarHBondContact N-O 2.98Å; V189-I192 PolarHBondContact O-N 2.87Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 2.84Å
193	A	96.4	Very high	93.7	Very high	46 Å²	46	57.9 Å²	57.9	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.1	172.8	0	0	0	0	0	110.4	Y184	Y184-A193 HydrophobicContact CE1-CB 3.84Å
194	K	97	Very high	93.3	Very high	127 Å²	127	66.8 Å²	66.8	55%	0.552	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	-45.9	-177	-64.1	-58.1	-177	179.7	0	113	F187 V189	F187-K194 PolarHBondContact O-N 3.49Å; V189-K194 HydrophobicContact CB-CG 4.07Å; V189-K194 HydrophobicContact CG2-CG 3.8Å
195	C	92.4	Very high	92.9	Very high	80 Å²	80	70.6 Å²	70.6	54%	0.541	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.5	176	56.6	0	0	0	0	109.3	Y184 G186 F187	Y184-C195 PolarHBondContact OH-O 2.96Å; G186-C195 CarbonylContact C-O 3.51Å; G186-C195 WeakPolarHBondContact CA-O 3.46Å; F187-C195 PolarHBondContact N-O 2.88Å
196	G	94	Very high	92.5	Very high	41 Å²	41	67.5 Å²	67.5	42%	0.423	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	177.1	-178.4	0	0	0	0	0	112.7	Y184 E185	Y184-G196 WeakPolarHBondContact OH-CA 3.31Å; Y184-G196 PolarHBondContact OH-N 3.48Å; E185-G196 CarbonylContact O-C 3.56Å; E185-G196 WeakPolarHBondContact O-CA 3.28Å
197	T	93.5	Very high	92.2	Very high	78 Å²	78	72.1 Å²	72.1	48%	0.479	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.3	179.8	51.4	0	0	0	0	110	Y184 E185	Y184-T197 WeakPolarHBondContact CA-O 3.27Å; E185-T197 PolarHBondContact N-O 2.81Å; E185-T197 PolarHBondContact O-N 3.12Å
198	F	91.8	Very high	91.9	Very high	89 Å²	89	71.5 Å²	71.5	39%	0.39	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.8	168.4	-79.7	-83.5	0	0	0	109.5	Y177 L182 L183 Y184 F214	Y177-F198 HydrophobicContact CD2-CE1 4.33Å; Y177-F198 AromaticContact CE2-CE1 3.83Å; Y177-F198 HydrophobicContact CE2-CE1 3.83Å; L182-F198 HydrophobicContact CD1-CD1 4.47Å; L183-F198 CarbonylContact O-C 3.36Å; L183-F198 WeakPolarHBondContact O-CA 3.34Å; Y184-F198 HydrophobicContact CD2-CD1 4.19Å; Y184-F198 AromaticContact CD2-CD2 3.84Å; Y184-F198 HydrophobicContact CD2-CD2 3.84Å; Y184-F198 AromaticContact CD2-CE1 3.88Å; Y184-F198 HydrophobicContact CD2-CE1 3.88Å; Y184-F198 AromaticContact CD2-CE2 3.49Å; Y184-F198 HydrophobicContact CD2-CE2 3.49Å; Y184-F198 VanDerWaalsContact CD2-CE2 3.49Å; Y184-F198 HydrophobicContact CD2-CG 4.19Å; Y184-F198 AromaticContact CD2-CZ 3.51Å; Y184-F198 HydrophobicContact CD2-CZ 3.51Å; Y184-F198 HydrophobicContact CE2-CD2 4.43Å; Y184-F198 AromaticContact CE2-CE2 3.98Å; Y184-F198 HydrophobicContact CE2-CE2 3.98Å; Y184-F198 HydrophobicContact CE2-CZ 4.3Å; Y184-F198 HydrophobicContact CG-CE1 4.23Å; Y184-F198 HydrophobicContact CG-CZ 4.18Å; F198-F214 HydrophobicContact CB-CD1 4.25Å; F198-F214 HydrophobicContact CB-CD2 4.46Å; F198-F214 HydrophobicContact CB-CE1 3.97Å; F198-F214 HydrophobicContact CB-CE2 4.19Å; F198-F214 HydrophobicContact CB-CG 4.49Å; F198-F214 HydrophobicContact CB-CZ 3.93Å; F198-F214 HydrophobicContact CG-CZ 4.34Å
199	V	90.6	Very high	91.5	Very high	65 Å²	65	73.8 Å²	73.8	39%	0.394	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.9	177.2	-174.5	0	0	0	0	108.2	L183 V201	L183-V199 PolarHBondContact N-O 3.19Å; L183-V199 PolarHBondContact O-N 3.37Å; V199-V201 HydrophobicContact CB-CG2 4.42Å; V199-V201 HydrophobicContact CG1-CG2 4.17Å; V199-V201 PolarHBondContact O-N 3.41Å
200	D	89.8	Confident	91	Very high	40 Å²	40	73.2 Å²	73.2	21%	0.214	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121	168.5	-75.4	-78.6	0	0	0	109.4	R203 P213 F214	D200-R203 HydrophobicContact CB-CB 4.4Å; D200-R203 IonicContact OD1-CZ 3.98Å; D200-R203 IonicContact OD1-NH1 2.93Å; D200-R203 PolarHBondContact OD1-NH1 3Å; D200-R203 IonicContact OD2-NH1 2.65Å; D200-P213 WeakPolarHBondContact OD2-CA 3.14Å; D200-F214 WeakPolarHBondContact OD2-CB 3.33Å; D200-F214 PolarHBondContact OD2-N 3.5Å
201	V	88	Confident	90.6	Very high	67 Å²	67	76.8 Å²	76.8	41%	0.406	45%	0.453	S	S	.	.			trans	-134.3	108	177.8	176.6	0	0	0	0	108.3	G181 L183 V199	G181-V201 CarbonylContact C-O 3.03Å; G181-V201 WeakPolarHBondContact CA-O 3.23Å; G181-V201 CarbonylContact O-C 3.2Å; G181-V201 PolarHBondContact O-N 3.06Å; L183-V201 HydrophobicContact CB-CB 4.19Å; L183-V201 HydrophobicContact CB-CG2 3.6Å; L183-V201 HydrophobicContact CD2-CG2 4.14Å; V199-V201 HydrophobicContact CB-CG2 4.42Å; V199-V201 HydrophobicContact CG1-CG2 4.17Å; V199-V201 PolarHBondContact O-N 3.41Å
202	G	82	Confident	90.2	Very high	43 Å²	43	82.6 Å²	82.6	44%	0.443	47%	0.473	S	S	.	.	S	Bend	trans	75.6	27.7	179.6	0	0	0	0	0	114.2	E204 S205 A206	G202-E204 VanDerWaalsContact C-N 3.25Å; G202-E204 PolarHBondContact O-N 3.39Å; G202-S205 PolarHBondContact O-N 2.93Å; G202-S205 VanDerWaalsContact O-N 3.11Å; G202-S205 PolarHBondContact O-OG 3.12Å; G202-A206 PolarHBondContact O-N 2.99Å
203	R	84.9	Confident	89.7	Confident	61 Å²	61	81.6 Å²	81.6	23%	0.23	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-51.6	-39.7	178.4	-174.8	-173.4	177.6	95.3	0	113.5	D200 S205 A206 P209 P210 Q211 F212	D200-R203 HydrophobicContact CB-CB 4.4Å; D200-R203 IonicContact OD1-CZ 3.98Å; D200-R203 IonicContact OD1-NH1 2.93Å; D200-R203 PolarHBondContact OD1-NH1 3Å; D200-R203 IonicContact OD2-NH1 2.65Å; R203-S205 PolarHBondContact O-N 3.02Å; R203-A206 WeakPolarHBondContact O-CB 3.2Å; R203-A206 PolarHBondContact O-N 2.86Å; R203-P209 HydrophobicContact CG-CB 3.79Å; R203-P210 VanDerWaalsContact CZ-O 3.28Å; R203-P210 PolarHBondContact NH1-O 2.8Å; R203-P210 PolarHBondContact NH2-O 3.19Å; R203-Q211 PolarHBondContact NH2-O 3.4Å; R203-F212 VanDerWaalsContact NH1-C 3.35Å; R203-F212 PolarHBondContact NH1-O 3.27Å
204	E	86.1	Confident	89.1	Confident	204 Å²	204	83.4 Å²	83.4	95%	0.953	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-63.7	-30.2	-178.6	-60.1	-177.1	179.9	0	0	113.1	G202	G202-E204 VanDerWaalsContact C-N 3.25Å; G202-E204 PolarHBondContact O-N 3.39Å
205	S	87	Confident	88.3	Confident	102 Å²	102	82.4 Å²	82.4	71%	0.713	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-97.8	-1	178.9	50.5	0	0	0	0	113.7	G202 R203	G202-S205 PolarHBondContact O-N 2.93Å; G202-S205 VanDerWaalsContact O-N 3.11Å; G202-S205 PolarHBondContact O-OG 3.12Å; R203-S205 PolarHBondContact O-N 3.02Å
206	A	89.3	Confident	87.5	Confident	16 Å²	16	86.1 Å²	86.1	13%	0.132	49%	0.489	C	S	.	.			trans	-75.1	137.1	-174	0	0	0	0	0	111.4	K180 G202 R203 S208 P209	K180-A206 VanDerWaalsContact C-CB 3.48Å; G202-A206 PolarHBondContact O-N 2.99Å; R203-A206 WeakPolarHBondContact O-CB 3.2Å; R203-A206 PolarHBondContact O-N 2.86Å; A206-S208 VanDerWaalsContact C-N 3.31Å; A206-S208 PolarHBondContact O-N 2.79Å; A206-P209 HydrophobicContact CB-CB 4.09Å; A206-P209 HydrophobicContact CB-CG 4.41Å; A206-P209 WeakPolarHBondContact O-CD 3.45Å
207	P	90.8	Very high	86.7	Confident	110 Å²	110	91.8 Å²	91.8	71%	0.714	51%	0.508	S	S	*	.	S	Bend	trans	-61.6	-36.2	175	-25.5	33.6	0	0	0	114.1	D179	D179-P207 WeakPolarHBondContact O-CD 3.33Å
208	S	91.7	Very high	86	Confident	64 Å²	64	94.2 Å²	94.2	45%	0.448	51%	0.514	S	S	.	.	S	Bend	trans	-145.3	65.3	-173.4	52.1	0	0	0	0	111.7	D179 A206	D179-S208 CarbonylContact O-C 3.47Å; D179-S208 WeakPolarHBondContact O-CA 3.39Å; D179-S208 PolarHBondContact O-N 2.87Å; D179-S208 PolarHBondContact O-OG 2.88Å; A206-S208 VanDerWaalsContact C-N 3.31Å; A206-S208 PolarHBondContact O-N 2.79Å
209	P	89.8	Confident	85.4	Confident	54 Å²	54	95.4 Å²	95.4	35%	0.351	52%	0.523	S	S	.	.			trans	-66.2	152	179.7	28	-33.4	0	0	0	111.4	R203 A206	R203-P209 HydrophobicContact CG-CB 3.79Å; A206-P209 HydrophobicContact CB-CB 4.09Å; A206-P209 HydrophobicContact CB-CG 4.41Å; A206-P209 WeakPolarHBondContact O-CD 3.45Å
210	P	87.4	Confident	84.9	Confident	38 Å²	38	99.9 Å²	99.9	25%	0.247	55%	0.551	C	S	.	*			trans	-56.6	150	172	-22	32.6	0	0	0	111.8	L182 R203 F212 F214	L182-P210 HydrophobicContact CD1-CG 3.7Å; L182-P210 HydrophobicContact CD2-CG 4.09Å; L182-P210 HydrophobicContact CG-CG 4.15Å; R203-P210 VanDerWaalsContact CZ-O 3.28Å; R203-P210 PolarHBondContact NH1-O 2.8Å; R203-P210 PolarHBondContact NH2-O 3.19Å; P210-F212 VanDerWaalsContact C-N 3.25Å; P210-F212 PolarHBondContact O-N 3.23Å; P210-F214 HydrophobicContact CG-CE2 4.32Å
211	Q	88.1	Confident	84.8	Confident	163 Å²	163	101.6 Å²	101.6	76%	0.762	56%	0.56	S	S	*	*	S	Bend	trans	-54.9	-40.7	-177	-175.3	179.2	10.2	0	0	113.1	R203	R203-Q211 PolarHBondContact NH2-O 3.4Å
212	F	87.1	Confident	84.8	Confident	142 Å²	142	104.8 Å²	104.8	62%	0.623	57%	0.572	S	S	*	*	S	Bend	trans	-114	144	-179.5	-59.4	-74.3	0	0	0	110.8	R203 P210	R203-F212 VanDerWaalsContact NH1-C 3.35Å; R203-F212 PolarHBondContact NH1-O 3.27Å; P210-F212 VanDerWaalsContact C-N 3.25Å; P210-F212 PolarHBondContact O-N 3.23Å
213	P	85.9	Confident	85.1	Confident	84 Å²	84	110.2 Å²	110.2	55%	0.545	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-67	142.9	169.6	28.8	-32.3	0	0	0	110.3	D200	D200-P213 WeakPolarHBondContact OD2-CA 3.14Å
214	F	84.6	Confident	85.4	Confident	83 Å²	83	110 Å²	110	36%	0.364	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-64.3	132.2	165.8	-72.9	-81	0	0	0	108.3	L182 F198 D200 P210 E216	L182-F214 HydrophobicContact CD1-CE2 3.98Å; L182-F214 HydrophobicContact CD2-CD2 3.73Å; L182-F214 HydrophobicContact CD2-CE2 3.51Å; L182-F214 HydrophobicContact CG-CE2 4.39Å; F198-F214 HydrophobicContact CB-CD1 4.25Å; F198-F214 HydrophobicContact CB-CD2 4.46Å; F198-F214 HydrophobicContact CB-CE1 3.97Å; F198-F214 HydrophobicContact CB-CE2 4.19Å; F198-F214 HydrophobicContact CB-CG 4.49Å; F198-F214 HydrophobicContact CB-CZ 3.93Å; F198-F214 HydrophobicContact CG-CZ 4.34Å; D200-F214 WeakPolarHBondContact OD2-CB 3.33Å; D200-F214 PolarHBondContact OD2-N 3.5Å; P210-F214 HydrophobicContact CG-CE2 4.32Å; F214-E216 PolarHBondContact O-N 2.92Å
215	P	80.1	Confident	85.4	Confident	107 Å²	107	103.5 Å²	103.5	70%	0.695	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-63.9	135.5	-176.5	26.4	-33.6	0	0	0	109.8	I217	P215-I217 PolarHBondContact O-N 2.96Å
216	E	75.1	Confident	85.4	Confident	158 Å²	158	102.6 Å²	102.6	74%	0.738	55%	0.55	S	S	*	.			trans	-70.1	113	171.7	-156.6	-179.8	166.3	0	0	108.4	F214 Q218	F214-E216 PolarHBondContact O-N 2.92Å; E216-Q218 HydrophobicContact CG-CG 4.09Å; E216-Q218 PolarHBondContact O-N 3.19Å; E216-Q218 VanDerWaalsContact O-N 3.1Å; E216-Q218 PolarHBondContact OE1-NE2 3.18Å
217	I	77	Confident	85.5	Confident	160 Å²	160	110 Å²	110	82%	0.821	57%	0.574	S	S	*	*			trans	-78.2	99.6	178.8	-58.8	173.1	0	0	0	107.3	P215	P215-I217 PolarHBondContact O-N 2.96Å
218	Q	79	Confident	85.4	Confident	129 Å²	129	110.3 Å²	110.3	60%	0.603	57%	0.566	S	S	*	*			trans	-116.3	147.6	172.8	-63.4	-171.4	-12.6	0	0	110.2	E216 V220	E216-Q218 HydrophobicContact CG-CG 4.09Å; E216-Q218 PolarHBondContact O-N 3.19Å; E216-Q218 VanDerWaalsContact O-N 3.1Å; E216-Q218 PolarHBondContact OE1-NE2 3.18Å; Q218-V220 PolarHBondContact O-N 2.9Å
219	L	78.5	Confident	85.2	Confident	114 Å²	114	109.9 Å²	109.9	60%	0.597	57%	0.567	S	S	*	*			trans	-66.3	122.7	170.4	-67.8	176.8	0	0	0	108.4	D221 M222 V225	L219-D221 PolarHBondContact O-N 3.34Å; L219-M222 HydrophobicContact CD1-CG 4.38Å; L219-V225 HydrophobicContact CD2-CG2 4.33Å
220	V	81.5	Confident	85.1	Confident	159 Å²	159	114.9 Å²	114.9	96%	0.964	58%	0.578	S	S	*	*	S	Bend	trans	-60.5	-36.9	179.1	178.9	0	0	0	0	111.2	Q218	Q218-V220 PolarHBondContact O-N 2.9Å
221	D	87.2	Confident	85	Confident	75 Å²	75	115.3 Å²	115.3	40%	0.401	59%	0.585	S	S	.	*			trans	-145.2	101.5	173.8	-174	-19.7	0	0	0	109.7	L219 E223 L224 V225	L219-D221 PolarHBondContact O-N 3.34Å; D221-E223 VanDerWaalsContact C-N 3.31Å; D221-E223 PolarHBondContact O-N 3.18Å; D221-E223 PolarHBondContact OD1-N 2.83Å; D221-L224 HydrophobicContact CB-CB 3.83Å; D221-L224 VanDerWaalsContact CG-CB 3.43Å; D221-L224 PolarHBondContact OD1-N 2.93Å; D221-L224 WeakPolarHBondContact OD2-CB 3.38Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å; D221-V225 PolarHBondContact O-N 3.1Å
222	M	87.5	Confident	84.7	Confident	135 Å²	135	110.4 Å²	110.4	67%	0.665	57%	0.572	S	S	*	*	H	α-helix	trans	-65.6	-35.2	178.9	-173.5	-178.8	71.4	0	0	111.9	L219 L226	L219-M222 HydrophobicContact CD1-CG 4.38Å; M222-L226 VanDerWaalsContact O-CB 3.28Å; M222-L226 WeakPolarHBondContact O-CB 3.39Å; M222-L226 PolarHBondContact O-N 3.35Å
223	E	89.3	Confident	84.1	Confident	156 Å²	156	108.2 Å²	108.2	73%	0.729	57%	0.574	S	S	*	*	H	α-helix	trans	-70.2	-39.5	-178.5	-68.6	-168.5	168	0	0	111.2	D221 L226 R227	D221-E223 VanDerWaalsContact C-N 3.31Å; D221-E223 PolarHBondContact O-N 3.18Å; D221-E223 PolarHBondContact OD1-N 2.83Å; E223-L226 PolarHBondContact O-N 2.82Å; E223-R227 VanDerWaalsContact O-CB 3.31Å; E223-R227 WeakPolarHBondContact O-CB 3.3Å; E223-R227 PolarHBondContact O-N 2.88Å
224	L	89.6	Confident	83.4	Confident	57 Å²	57	111.5 Å²	111.5	30%	0.298	58%	0.582	S	S	.	*	H	α-helix	trans	-61.6	-50.1	175.2	178.8	61.6	0	0	0	111.5	D221 L226 R227 E228	D221-L224 HydrophobicContact CB-CB 3.83Å; D221-L224 VanDerWaalsContact CG-CB 3.43Å; D221-L224 PolarHBondContact OD1-N 2.93Å; D221-L224 WeakPolarHBondContact OD2-CB 3.38Å; L224-L226 VanDerWaalsContact C-N 3.28Å; L224-L226 PolarHBondContact O-N 3.39Å; L224-R227 WeakPolarHBondContact O-CB 3.33Å; L224-R227 PolarHBondContact O-N 3.29Å; L224-R227 VanDerWaalsContact O-N 3.12Å; L224-E228 HydrophobicContact CD1-CG 4.23Å; L224-E228 WeakPolarHBondContact O-CG 3.43Å; L224-E228 PolarHBondContact O-N 2.84Å
225	V	87.1	Confident	82.2	Confident	67 Å²	67	112.7 Å²	112.7	41%	0.406	60%	0.599	S	S	.	*	H	α-helix	trans	-60.1	-41.6	178.9	173.9	0	0	0	0	110.8	L219 D221 E228 A229	L219-V225 HydrophobicContact CD2-CG2 4.33Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å; D221-V225 PolarHBondContact O-N 3.1Å; V225-E228 PolarHBondContact O-N 3.41Å; V225-A229 WeakPolarHBondContact O-CB 3.14Å; V225-A229 PolarHBondContact O-N 3.41Å
226	L	87.4	Confident	81	Confident	84 Å²	84	115.6 Å²	115.6	44%	0.44	60%	0.603	S	S	.	*	H	α-helix	trans	-64.6	-40.6	176.7	-164.1	97.3	0	0	0	111.9	M222 E223 L224 R230	M222-L226 VanDerWaalsContact O-CB 3.28Å; M222-L226 WeakPolarHBondContact O-CB 3.39Å; M222-L226 PolarHBondContact O-N 3.35Å; E223-L226 PolarHBondContact O-N 2.82Å; L224-L226 VanDerWaalsContact C-N 3.28Å; L224-L226 PolarHBondContact O-N 3.39Å; L226-R230 WeakPolarHBondContact O-CB 3.45Å; L226-R230 VanDerWaalsContact O-CG 3.24Å; L226-R230 WeakPolarHBondContact O-CG 3.4Å; L226-R230 PolarHBondContact O-N 3.22Å
227	R	90.3	Very high	79.8	Confident	171 Å²	171	119.8 Å²	119.8	65%	0.645	62%	0.622	S	S	*	*	H	α-helix	trans	-64.8	-46.7	177.1	-174.8	179.9	70.2	-176.4	2	111.3	E223 L224 R230 A231	E223-R227 VanDerWaalsContact O-CB 3.31Å; E223-R227 WeakPolarHBondContact O-CB 3.3Å; E223-R227 PolarHBondContact O-N 2.88Å; L224-R227 WeakPolarHBondContact O-CB 3.33Å; L224-R227 PolarHBondContact O-N 3.29Å; L224-R227 VanDerWaalsContact O-N 3.12Å; R227-R230 PolarHBondContact O-N 3.41Å; R227-A231 WeakPolarHBondContact O-CB 3.45Å; R227-A231 PolarHBondContact O-N 3.02Å
228	E	89.8	Confident	79.9	Confident	116 Å²	116	117.8 Å²	117.8	54%	0.542	61%	0.612	S	S	.	*	H	α-helix	trans	-63.6	-43.9	178.3	-72.2	-178.8	169.2	0	0	111.9	L224 V225 R230 A231 A232	L224-E228 HydrophobicContact CD1-CG 4.23Å; L224-E228 WeakPolarHBondContact O-CG 3.43Å; L224-E228 PolarHBondContact O-N 2.84Å; V225-E228 PolarHBondContact O-N 3.41Å; E228-R230 VanDerWaalsContact C-N 3.35Å; E228-R230 PolarHBondContact O-N 2.7Å; E228-A231 PolarHBondContact O-N 2.98Å; E228-A232 WeakPolarHBondContact O-CB 3.41Å; E228-A232 PolarHBondContact O-N 3.25Å
229	A	85.9	Confident	80	Confident	56 Å²	56	117.2 Å²	117.2	46%	0.463	61%	0.613	S	S	.	*	H	α-helix	trans	-61.4	-41.9	176.2	0	0	0	0	0	112.2	V225 A232 C233	V225-A229 WeakPolarHBondContact O-CB 3.14Å; V225-A229 PolarHBondContact O-N 3.41Å; A229-A232 PolarHBondContact O-N 3.19Å; A229-C233 PolarHBondContact O-N 3.32Å
230	R	87.9	Confident	80.1	Confident	159 Å²	159	117.4 Å²	117.4	60%	0.6	61%	0.614	S	S	*	*	H	α-helix	trans	-64.9	-42.4	176.1	-75.6	170.9	175.5	179	-1.3	112.1	L226 R227 E228 C233 Q234	L226-R230 WeakPolarHBondContact O-CB 3.45Å; L226-R230 VanDerWaalsContact O-CG 3.24Å; L226-R230 WeakPolarHBondContact O-CG 3.4Å; L226-R230 PolarHBondContact O-N 3.22Å; R227-R230 PolarHBondContact O-N 3.41Å; E228-R230 VanDerWaalsContact C-N 3.35Å; E228-R230 PolarHBondContact O-N 2.7Å; R230-C233 PolarHBondContact O-N 3.23Å; R230-Q234 WeakPolarHBondContact O-CG 3.42Å; R230-Q234 PolarHBondContact O-N 3.11Å
231	A	85.3	Confident	80	Confident	47 Å²	47	114.9 Å²	114.9	39%	0.388	59%	0.593	S	S	.	*	H	α-helix	trans	-64.3	-42.2	177.4	0	0	0	0	0	111.7	R227 E228 C233 Q234 C235	R227-A231 WeakPolarHBondContact O-CB 3.45Å; R227-A231 PolarHBondContact O-N 3.02Å; E228-A231 PolarHBondContact O-N 2.98Å; A231-C233 VanDerWaalsContact C-N 3.32Å; A231-C233 PolarHBondContact O-N 2.84Å; A231-Q234 PolarHBondContact O-N 3.18Å; A231-Q234 VanDerWaalsContact O-N 3.14Å; A231-C235 PolarHBondContact O-N 3.28Å; A231-C235 PolarHBondContact O-SG 2.7Å
232	A	82.8	Confident	79.5	Confident	59 Å²	59	117.4 Å²	117.4	49%	0.488	61%	0.605	S	S	.	*	H	α-helix	trans	-62.1	-36.7	177	0	0	0	0	0	113	E228 A229 Q234	E228-A232 WeakPolarHBondContact O-CB 3.41Å; E228-A232 PolarHBondContact O-N 3.25Å; A229-A232 PolarHBondContact O-N 3.19Å; A232-Q234 VanDerWaalsContact C-N 3.34Å
233	C	74.8	Confident	79	Confident	97 Å²	97	116.3 Å²	116.3	66%	0.655	60%	0.601	S	S	*	*	H	α-helix	trans	-69.5	-28.1	174.7	-77.9	0	0	0	0	113.6	A229 R230 A231	A229-C233 PolarHBondContact O-N 3.32Å; R230-C233 PolarHBondContact O-N 3.23Å; A231-C233 VanDerWaalsContact C-N 3.32Å; A231-C233 PolarHBondContact O-N 2.84Å
234	Q	71.1	Confident	78.3	Confident	152 Å²	152	113.4 Å²	113.4	71%	0.71	59%	0.592	S	S	*	*	H	α-helix	trans	-80.8	-23.5	-179.5	-72	175.4	-1.9	0	0	113.1	R230 A231 A232 H236	R230-Q234 WeakPolarHBondContact O-CG 3.42Å; R230-Q234 PolarHBondContact O-N 3.11Å; A231-Q234 PolarHBondContact O-N 3.18Å; A231-Q234 VanDerWaalsContact O-N 3.14Å; A232-Q234 VanDerWaalsContact C-N 3.34Å; Q234-H236 PolarHBondContact O-N 3.33Å
235	C	58.3	Low	77.4	Confident	109 Å²	109	117.8 Å²	117.8	74%	0.736	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-1.4	177.2	-66.5	0	0	0	0	114.5	A231	A231-C235 PolarHBondContact O-N 3.28Å; A231-C235 PolarHBondContact O-SG 2.7Å
236	H	56.4	Low	76.6	Confident	168 Å²	168	122 Å²	122	78%	0.778	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	20.5	-179.8	-81.7	-50.7	0	0	0	114.1	Q234	Q234-H236 PolarHBondContact O-N 3.33Å
237	H	49	Very low	75.6	Confident	246 Å²	246	125.5 Å²	125.5	100%	1.139	65%	0.65	S	S	*	*			trans	-118.1	0	168.7	-83.3	-17.2	0	0	0	112

Retrieved 237 of 237 residues in 222.4 ms (Link to these results)

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