G4VTE6_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession G4VTE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 aa.

						>G4VTE6_SCHMA|G4VTE6
MARFSYCTKVTLILSSAHSHAIRVWKISKRPLKFSTNPTIVFVHVCYYTSNCYINDAQTNVQYKCQYTKGCYFDVTLQHIRTIVVISNSTSYFFHLMKYCFRVAVT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	35.9	Very low	186 Å²	186	107.5 Å²	107.5	92%	0.916	55%	0.545	S	S	*	.				0	121.5	0	-81.8	169.7	175.7	0	0	109.7	T106	M1-T106 HydrophobicContact CE-CG2 4.14Å
2	A	33.1	Very low	35.8	Very low	56 Å²	56	102.2 Å²	102.2	46%	0.463	52%	0.519	S	S	.	.			trans	-77.9	127.2	177.3	0	0	0	0	0	109.8	F4	A2-F4 HydrophobicContact CB-CD2 4.35Å; A2-F4 HydrophobicContact CB-CE2 3.59Å; A2-F4 HydrophobicContact CB-CZ 4.05Å
3	R	35.1	Very low	35.3	Very low	190 Å²	190	103.9 Å²	103.9	72%	0.717	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.8	177	-68.3	173.1	169.3	172.5	0.9	107.6
4	F	34.8	Very low	35.3	Very low	128 Å²	128	99 Å²	99	56%	0.561	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.7	174.6	-65.8	-81.1	0	0	0	110.1	A2 V103 V105	A2-F4 HydrophobicContact CB-CD2 4.35Å; A2-F4 HydrophobicContact CB-CE2 3.59Å; A2-F4 HydrophobicContact CB-CZ 4.05Å; F4-V103 PolarHBondContact N-O 3.34Å; F4-V103 PolarHBondContact O-N 3.29Å; F4-V105 HydrophobicContact CD2-CG2 4.4Å
5	S	38.3	Very low	34.9	Very low	92 Å²	92	98 Å²	98	64%	0.643	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.7	168.9	-62.7	0	0	0	0	107.6	F101	S5-F101 CarbonylContact C-O 3.59Å; S5-F101 WeakPolarHBondContact CA-O 3.4Å
6	Y	39.2	Very low	34.8	Very low	149 Å²	149	95.3 Å²	95.3	58%	0.584	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.6	174.1	-178	-107.4	0	0	0	109.4	T8 C100 F101	Y6-T8 WeakPolarHBondContact CE1-OG1 3.44Å; Y6-C100 CarbonylContact O-C 3.46Å; Y6-C100 WeakPolarHBondContact O-CA 3.09Å; Y6-F101 HydrophobicContact CD1-CD2 4.25Å; Y6-F101 PolarHBondContact N-O 2.97Å; Y6-F101 PolarHBondContact O-N 2.6Å
7	C	35.7	Very low	34.9	Very low	52 Å²	52	93.1 Å²	93.1	35%	0.351	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.6	177.4	-63.6	0	0	0	0	110.7	K98 Y99 C100	C7-K98 HydrophobicContact CB-CD 4.43Å; C7-K98 VanDerWaalsContact CB-CE 3.48Å; C7-K98 HydrophobicContact CB-CG 4.19Å; C7-Y99 CarbonylContact C-O 3.56Å; C7-Y99 WeakPolarHBondContact CA-O 3.18Å; C7-C100 HydrophobicContact CB-CB 4.2Å; C7-C100 WeakPolarHBondContact CB-SG 3.2Å; C7-C100 WeakPolarHBondContact SG-CB 3.34Å; C7-C100 CovalentContact SG-SG 2.05Å; C7-C100 PolarHBondContact SG-SG 2.81Å
8	T	36.3	Very low	34.8	Very low	47 Å²	47	95.4 Å²	95.4	29%	0.288	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	169.3	-54.6	0	0	0	0	109.7	Y6 V10 K98 Y99	Y6-T8 WeakPolarHBondContact CE1-OG1 3.44Å; T8-V10 HydrophobicContact CG2-CG2 4.2Å; T8-K98 CarbonylContact O-C 3.53Å; T8-K98 WeakPolarHBondContact O-CA 3.21Å; T8-Y99 PolarHBondContact N-O 3.35Å; T8-Y99 PolarHBondContact O-N 3.06Å
9	K	36.5	Very low	34.9	Very low	145 Å²	145	94.4 Å²	94.4	63%	0.63	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	127	167.8	-68.8	-179.6	-179.6	179.5	0	108.7	L96 M97 K98	K9-L96 HydrophobicContact CD-CD2 4.41Å; K9-M97 CarbonylContact C-O 3.54Å; K9-M97 WeakPolarHBondContact CA-O 3.39Å; K9-K98 HydrophobicContact CG-CG 4.23Å
10	V	36.3	Very low	34.9	Very low	55 Å²	55	92.4 Å²	92.4	33%	0.333	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.5	170.6	-178.3	0	0	0	0	106.7	T8 L12 M97 Y99	T8-V10 HydrophobicContact CG2-CG2 4.2Å; V10-L12 HydrophobicContact CG1-CD1 4.16Å; V10-L12 HydrophobicContact CG1-CG 4.27Å; V10-M97 HydrophobicContact CB-CB 4.18Å; V10-M97 PolarHBondContact N-O 3.2Å; V10-M97 WeakPolarHBondContact O-CA 3.34Å; V10-M97 WeakPolarHBondContact O-CB 3.5Å; V10-M97 PolarHBondContact O-N 3.42Å; V10-Y99 HydrophobicContact CB-CE2 4.36Å; V10-Y99 HydrophobicContact CG2-CD2 3.98Å; V10-Y99 HydrophobicContact CG2-CE2 4.14Å
11	T	28.8	Very low	34.9	Very low	82 Å²	82	91.1 Å²	91.1	50%	0.503	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.6	170.9	-52.9	0	0	0	0	108	F94 H95	T11-F94 HydrophobicContact CG2-CD1 4.49Å; T11-H95 CarbonylContact C-O 3.53Å; T11-H95 WeakPolarHBondContact CA-O 3.36Å
12	L	34.1	Very low	34.8	Very low	44 Å²	44	83 Å²	83	23%	0.23	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.8	173.6	-88.6	145.4	0	0	0	108.4	V10 I22 H95 M97	V10-L12 HydrophobicContact CG1-CD1 4.16Å; V10-L12 HydrophobicContact CG1-CG 4.27Å; L12-I22 HydrophobicContact CD1-CG2 4.09Å; L12-I22 HydrophobicContact CD2-CG2 4.32Å; L12-H95 HydrophobicContact CB-CB 4.01Å; L12-H95 PolarHBondContact N-O 2.84Å; L12-H95 WeakPolarHBondContact O-CA 3.29Å; L12-H95 WeakPolarHBondContact O-CB 3.36Å; L12-H95 PolarHBondContact O-N 3.39Å; L12-M97 HydrophobicContact CD1-SD 3.67Å
13	I	30	Very low	34.7	Very low	125 Å²	125	87.2 Å²	87.2	64%	0.641	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.3	171.1	-57	174.2	0	0	0	105.5	F94	I13-F94 HydrophobicContact CD1-CE1 3.95Å; I13-F94 HydrophobicContact CG1-CD1 4.12Å; I13-F94 HydrophobicContact CG1-CE1 4.04Å
14	L	34.4	Very low	34.7	Very low	35 Å²	35	79.3 Å²	79.3	18%	0.183	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128	175.1	-63.5	179.4	0	0	0	109.5	H20 I22	L14-H20 HydrophobicContact CD1-CB 4.26Å; L14-I22 HydrophobicContact CD1-CD1 3.55Å; L14-I22 HydrophobicContact CD1-CG1 3.8Å; L14-I22 HydrophobicContact CD2-CG1 4.36Å
15	S	29.3	Very low	34.4	Very low	84 Å²	84	81.7 Å²	81.7	59%	0.587	44%	0.44	S	S	*	.			trans	-101.2	128.4	170.8	58.7	0	0	0	0	109.5	H20	S15-H20 PolarHBondContact O-CE1 3Å; S15-H20 VanDerWaalsContact O-CE1 3.3Å; S15-H20 PolarHBondContact O-NE2 2.95Å
16	S	33.2	Very low	34	Very low	54 Å²	54	84 Å²	84	38%	0.378	44%	0.438	S	S	.	.	S	Bend	trans	107.8	147.3	166.6	96.3	0	0	0	0	117.3	H18 H20	S16-H18 PolarHBondContact O-N 3.09Å; S16-H20 PolarHBondContact O-NE2 3.18Å; S16-H20 PolarHBondContact OG-CE1 3.43Å; S16-H20 PolarHBondContact OG-NE2 3.24Å; S16-H20 VanDerWaalsContact OG-NE2 3.1Å
17	A	36.2	Very low	33.9	Very low	58 Å²	58	78.9 Å²	78.9	48%	0.479	42%	0.42	S	S	.	.	S	Bend	trans	-76.9	26.5	-175.5	0	0	0	0	0	115	T90	A17-T90 HydrophobicContact CB-CG2 4.45Å
18	H	34.1	Very low	33.5	Very low	136 Å²	136	79.5 Å²	79.5	63%	0.63	43%	0.426	S	S	*	.	S	Bend	trans	-111.8	152.1	-175.3	-65.8	53.2	0	0	0	109.8	S16 H20	S16-H18 PolarHBondContact O-N 3.09Å; H18-H20 PolarHBondContact O-CD2 2.97Å; H18-H20 PolarHBondContact O-N 3.09Å; H18-H20 PolarHBondContact O-NE2 2.98Å
19	S	36	Very low	33	Very low	76 Å²	76	85.5 Å²	85.5	53%	0.531	45%	0.448	S	S	.	.			trans	-58.5	98.4	171.6	-60.5	0	0	0	0	109.2	A21 N88	S19-A21 PolarHBondContact O-N 2.88Å; S19-N88 PolarHBondContact OG-OD1 3.06Å
20	H	35	Very low	32.5	Very low	53 Å²	53	88.4 Å²	88.4	25%	0.245	46%	0.455	C	S	.	.			trans	-80.7	119.5	176.1	-67.5	-71.4	0	0	0	108.6	L14 S15 S16 H18 I22 I86	L14-H20 HydrophobicContact CD1-CB 4.26Å; S15-H20 PolarHBondContact O-CE1 3Å; S15-H20 VanDerWaalsContact O-CE1 3.3Å; S15-H20 PolarHBondContact O-NE2 2.95Å; S16-H20 PolarHBondContact O-NE2 3.18Å; S16-H20 PolarHBondContact OG-CE1 3.43Å; S16-H20 PolarHBondContact OG-NE2 3.24Å; S16-H20 VanDerWaalsContact OG-NE2 3.1Å; H18-H20 PolarHBondContact O-CD2 2.97Å; H18-H20 PolarHBondContact O-N 3.09Å; H18-H20 PolarHBondContact O-NE2 2.98Å; H20-I22 HydrophobicContact CB-CG1 4.49Å; H20-I22 PolarHBondContact O-N 3.27Å; H20-I22 VanDerWaalsContact O-N 3.14Å; H20-I86 WeakPolarHBondContact O-CA 3.18Å
21	A	35.7	Very low	32.1	Very low	67 Å²	67	90.8 Å²	90.8	55%	0.554	47%	0.471	S	S	*	.			trans	-75.2	93.3	161.2	0	0	0	0	0	107.8	S19 R23 V84	S19-A21 PolarHBondContact O-N 2.88Å; A21-R23 PolarHBondContact O-N 2.92Å; A21-V84 VanDerWaalsContact CA-CG1 3.43Å; A21-V84 HydrophobicContact CB-CG1 3.49Å; A21-V84 VanDerWaalsContact CB-CG1 3.49Å
22	I	37.9	Very low	32.2	Very low	14 Å²	14	90.1 Å²	90.1	7%	0.072	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	98.9	176.7	-56.6	173.4	0	0	0	108.4	L12 L14 H20 V24 Y47 V84 V85	L12-I22 HydrophobicContact CD1-CG2 4.09Å; L12-I22 HydrophobicContact CD2-CG2 4.32Å; L14-I22 HydrophobicContact CD1-CD1 3.55Å; L14-I22 HydrophobicContact CD1-CG1 3.8Å; L14-I22 HydrophobicContact CD2-CG1 4.36Å; H20-I22 HydrophobicContact CB-CG1 4.49Å; H20-I22 PolarHBondContact O-N 3.27Å; H20-I22 VanDerWaalsContact O-N 3.14Å; I22-V24 HydrophobicContact CG2-CG2 4.06Å; I22-V24 PolarHBondContact O-N 2.8Å; I22-Y47 VanDerWaalsContact CD1-OH 3.27Å; I22-Y47 WeakPolarHBondContact CD1-OH 3.48Å; I22-V84 VanDerWaalsContact O-CA 3.28Å; I22-V84 WeakPolarHBondContact O-CA 3.46Å; I22-V85 HydrophobicContact CD1-CB 4.16Å; I22-V85 WeakPolarHBondContact CG1-O 3.3Å; I22-V85 PolarHBondContact N-O 3.24Å
23	R	31.8	Very low	31.9	Very low	145 Å²	145	97.2 Å²	97.2	55%	0.547	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	100.2	175.3	-157.7	164.8	-167.1	177.6	14.1	109.3	A21 W25 T82	A21-R23 PolarHBondContact O-N 2.92Å; R23-W25 VanDerWaalsContact CD-CE2 3.45Å; R23-W25 HydrophobicContact CG-CD2 4.28Å; R23-W25 HydrophobicContact CG-CZ2 4.11Å; R23-W25 PolarHBondContact O-N 3.48Å; R23-T82 HydrophobicContact CG-CG2 3.48Å; R23-T82 VanDerWaalsContact CG-CG2 3.48Å
24	V	35.8	Very low	32	Very low	25 Å²	25	95.7 Å²	95.7	15%	0.152	48%	0.482	C	S	.	.			trans	-74.3	93.4	175.6	-177	0	0	0	0	108.9	I22 K26 I83 Y99	I22-V24 HydrophobicContact CG2-CG2 4.06Å; I22-V24 PolarHBondContact O-N 2.8Å; V24-K26 PolarHBondContact O-N 3.06Å; V24-I83 WeakPolarHBondContact CG2-O 3.34Å; V24-I83 PolarHBondContact N-O 3.44Å; V24-Y99 WeakPolarHBondContact CG2-OH 3.34Å
25	W	28.5	Very low	31.9	Very low	178 Å²	178	97.9 Å²	97.9	67%	0.674	50%	0.501	S	S	*	.			trans	-82.8	108.4	172.2	-60.9	94.6	0	0	0	108.8	R23	R23-W25 VanDerWaalsContact CD-CE2 3.45Å; R23-W25 HydrophobicContact CG-CD2 4.28Å; R23-W25 HydrophobicContact CG-CZ2 4.11Å; R23-W25 PolarHBondContact O-N 3.48Å
26	K	29.8	Very low	32.3	Very low	140 Å²	140	100.4 Å²	100.4	61%	0.609	51%	0.513	S	S	*	.			trans	88.8	89.5	177.6	-57.1	160.4	174.9	155.3	0	114.8	V24 S28 K29	V24-K26 PolarHBondContact O-N 3.06Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 2.91Å; K26-K29 HydrophobicContact CD-CG 3.87Å; K26-K29 VanDerWaalsContact CE-CE 3.47Å; K26-K29 HydrophobicContact CG-CG 4.33Å
27	I	37.2	Very low	32.3	Very low	41 Å²	41	101.9 Å²	101.9	21%	0.21	52%	0.516	C	S	.	.	S	Bend	trans	-73.8	92.5	143	-64.7	167.3	0	0	0	105.8	L77 I83 F101	I27-L77 HydrophobicContact CD1-CD1 3.83Å; I27-I83 HydrophobicContact CD1-CD1 4.33Å; I27-F101 HydrophobicContact CG2-CE1 3.52Å; I27-F101 HydrophobicContact CG2-CE2 4.49Å; I27-F101 HydrophobicContact CG2-CZ 3.37Å
28	S	26.6	Very low	32.3	Very low	66 Å²	66	102.6 Å²	102.6	46%	0.462	52%	0.516	S	S	.	.			trans	53.4	118.2	178	154.3	0	0	0	0	115	K26 R30	K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 2.91Å; S28-R30 CarbonylContact O-C 3.48Å; S28-R30 PolarHBondContact O-N 3.33Å; S28-R30 VanDerWaalsContact O-O 3.04Å; S28-R30 PolarHBondContact OG-N 2.62Å; S28-R30 PolarHBondContact OG-O 3.09Å
29	K	25.8	Very low	32.4	Very low	172 Å²	172	97.2 Å²	97.2	75%	0.748	49%	0.492	S	S	*	.	S	Bend	trans	-56.4	-19	172.3	-80	-170.6	179.3	179.9	0	113.9	K26 P31	K26-K29 HydrophobicContact CD-CG 3.87Å; K26-K29 VanDerWaalsContact CE-CE 3.47Å; K26-K29 HydrophobicContact CG-CG 4.33Å; K29-P31 WeakPolarHBondContact O-CD 3.48Å
30	R	26.2	Very low	32.4	Very low	206 Å²	206	97.3 Å²	97.3	78%	0.777	49%	0.486	S	S	*	.	S	Bend	trans	-75.1	114.1	170.1	-63.9	-173.7	-180	-158.6	-0.6	106.4	S28 L32	S28-R30 CarbonylContact O-C 3.48Å; S28-R30 PolarHBondContact O-N 3.33Å; S28-R30 VanDerWaalsContact O-O 3.04Å; S28-R30 PolarHBondContact OG-N 2.62Å; S28-R30 PolarHBondContact OG-O 3.09Å; R30-L32 PolarHBondContact O-N 3.28Å
31	P	27	Very low	32.5	Very low	105 Å²	105	94.8 Å²	94.8	68%	0.682	48%	0.475	S	S	*	.			trans	-51	115.3	162.9	23	-31	0	0	0	105.1	K29 K33	K29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-K33 PolarHBondContact O-N 3.49Å
32	L	32	Very low	32.5	Very low	68 Å²	68	95.1 Å²	95.1	36%	0.356	46%	0.464	S	S	.	.			trans	-59.4	102.9	162.8	-72.6	167.9	0	0	0	102.8	R30 F34 F101	R30-L32 PolarHBondContact O-N 3.28Å; L32-F34 HydrophobicContact CB-CD1 4.28Å; L32-F34 HydrophobicContact CB-CD2 4.5Å; L32-F34 HydrophobicContact CB-CE1 3.73Å; L32-F34 HydrophobicContact CB-CE2 3.97Å; L32-F34 HydrophobicContact CB-CZ 3.57Å; L32-F34 HydrophobicContact CD1-CE1 4.2Å; L32-F34 HydrophobicContact CD1-CZ 4.02Å; L32-F34 HydrophobicContact CG-CZ 4.45Å; L32-F34 WeakPolarHBondContact O-CD2 3.29Å; L32-F34 WeakPolarHBondContact O-CE2 2.94Å; L32-F34 PolarHBondContact O-N 3.45Å; L32-F101 HydrophobicContact CD1-CD1 4.19Å; L32-F101 HydrophobicContact CD1-CE1 4.36Å
33	K	27.1	Very low	32.7	Very low	194 Å²	194	94.6 Å²	94.6	84%	0.843	46%	0.461	S	S	*	.			trans	-67.2	93.2	175.1	-81	-170.1	174.3	-175.2	0	104.8	P31 S35	P31-K33 PolarHBondContact O-N 3.49Å; K33-S35 PolarHBondContact O-N 3.18Å
34	F	33.6	Very low	32.9	Very low	93 Å²	93	89.8 Å²	89.8	41%	0.408	45%	0.445	S	S	.	.			trans	-70.7	113.9	178.8	-62.5	-68.7	0	0	0	108	L32 T36 T39	L32-F34 HydrophobicContact CB-CD1 4.28Å; L32-F34 HydrophobicContact CB-CD2 4.5Å; L32-F34 HydrophobicContact CB-CE1 3.73Å; L32-F34 HydrophobicContact CB-CE2 3.97Å; L32-F34 HydrophobicContact CB-CZ 3.57Å; L32-F34 HydrophobicContact CD1-CE1 4.2Å; L32-F34 HydrophobicContact CD1-CZ 4.02Å; L32-F34 HydrophobicContact CG-CZ 4.45Å; L32-F34 WeakPolarHBondContact O-CD2 3.29Å; L32-F34 WeakPolarHBondContact O-CE2 2.94Å; L32-F34 PolarHBondContact O-N 3.45Å; F34-T36 PolarHBondContact O-N 3.46Å; F34-T39 WeakPolarHBondContact CD1-OG1 3.3Å; F34-T39 HydrophobicContact CE1-CG2 4Å; F34-T39 WeakPolarHBondContact CE1-OG1 3.45Å
35	S	32.2	Very low	33.2	Very low	81 Å²	81	88.6 Å²	88.6	57%	0.566	44%	0.437	S	S	*	.			trans	-75.8	73.4	169.9	59.7	0	0	0	0	109	K33 N37	K33-S35 PolarHBondContact O-N 3.18Å; S35-N37 PolarHBondContact O-N 3.2Å
36	T	36.9	Very low	33.6	Very low	137 Å²	137	82.3 Å²	82.3	84%	0.84	42%	0.42	S	S	*	.	S	Bend	trans	50.7	-4.3	170	45.5	0	0	0	0	119.1	F34	F34-T36 PolarHBondContact O-N 3.46Å
37	N	32.1	Very low	34.3	Very low	85 Å²	85	75.9 Å²	75.9	46%	0.455	39%	0.392	S	S	.	.	S	Bend	trans	-98.9	136.5	-177.4	-80.7	-28.2	0	0	0	109.3	S35 T39	S35-N37 PolarHBondContact O-N 3.2Å; N37-T39 PolarHBondContact O-N 3.19Å
38	P	36.2	Very low	34.5	Very low	72 Å²	72	83.2 Å²	83.2	47%	0.468	42%	0.419	S	S	.	.			trans	-58.6	111.1	175.7	22.5	-30.1	0	0	0	109.3	I40 T76 Q78	P38-I40 PolarHBondContact O-N 3.38Å; P38-T76 HydrophobicContact CB-CG2 3.88Å; P38-Q78 HydrophobicContact CB-CG 3.99Å
39	T	36.7	Very low	35.2	Very low	23 Å²	23	81.2 Å²	81.2	14%	0.141	40%	0.404	C	S	.	.			trans	-83	113.8	171.6	-60	0	0	0	0	107.7	F34 N37 V41 L77	F34-T39 WeakPolarHBondContact CD1-OG1 3.3Å; F34-T39 HydrophobicContact CE1-CG2 4Å; F34-T39 WeakPolarHBondContact CE1-OG1 3.45Å; N37-T39 PolarHBondContact O-N 3.19Å; T39-V41 HydrophobicContact CG2-CG2 4.05Å; T39-V41 PolarHBondContact O-N 2.96Å; T39-L77 PolarHBondContact O-N 2.88Å
40	I	35.5	Very low	36.1	Very low	79 Å²	79	76.2 Å²	76.2	41%	0.405	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.8	174.8	-56.7	172.7	0	0	0	107.4	P38 F42 T76	P38-I40 PolarHBondContact O-N 3.38Å; I40-F42 HydrophobicContact CB-CE2 4.46Å; I40-F42 HydrophobicContact CG2-CD2 4.47Å; I40-F42 HydrophobicContact CG2-CE1 4.42Å; I40-F42 HydrophobicContact CG2-CE2 3.77Å; I40-F42 HydrophobicContact CG2-CZ 3.74Å; I40-T76 HydrophobicContact CG1-CG2 4.25Å
41	V	37.6	Very low	37.2	Very low	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	176.9	-179.2	0	0	0	0	109	T39 V43 V75 L77 F101	T39-V41 HydrophobicContact CG2-CG2 4.05Å; T39-V41 PolarHBondContact O-N 2.96Å; V41-V43 HydrophobicContact CG1-CG2 4.06Å; V41-V75 PolarHBondContact N-O 2.83Å; V41-V75 CarbonylContact O-C 3.53Å; V41-V75 PolarHBondContact O-N 2.81Å; V41-L77 HydrophobicContact CB-CD1 3.64Å; V41-L77 HydrophobicContact CB-CG 3.76Å; V41-L77 HydrophobicContact CG1-CD1 3.92Å; V41-L77 HydrophobicContact CG1-CG 4.47Å; V41-L77 HydrophobicContact CG2-CB 4.15Å; V41-L77 HydrophobicContact CG2-CD1 3.45Å; V41-L77 VanDerWaalsContact CG2-CD1 3.45Å; V41-L77 HydrophobicContact CG2-CG 3.75Å; V41-F101 HydrophobicContact CB-CD1 4.1Å; V41-F101 HydrophobicContact CB-CE1 4.25Å; V41-F101 HydrophobicContact CG1-CD1 3.46Å; V41-F101 VanDerWaalsContact CG1-CD1 3.46Å; V41-F101 HydrophobicContact CG1-CE1 3.39Å; V41-F101 HydrophobicContact CG1-CG 4.15Å; V41-F101 HydrophobicContact CG1-CZ 4.04Å; V41-F101 HydrophobicContact CG2-CD1 3.46Å; V41-F101 VanDerWaalsContact CG2-CD1 3.46Å; V41-F101 HydrophobicContact CG2-CE1 3.83Å; V41-F101 HydrophobicContact CG2-CG 4.5Å
42	F	36.3	Very low	38.1	Very low	74 Å²	74	66.6 Å²	66.6	33%	0.325	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.9	177.3	-63.1	-90.8	0	0	0	107.2	I40 D74 C100 R102	I40-F42 HydrophobicContact CB-CE2 4.46Å; I40-F42 HydrophobicContact CG2-CD2 4.47Å; I40-F42 HydrophobicContact CG2-CE1 4.42Å; I40-F42 HydrophobicContact CG2-CE2 3.77Å; I40-F42 HydrophobicContact CG2-CZ 3.74Å; F42-D74 WeakPolarHBondContact CD1-OD1 3.27Å; F42-D74 WeakPolarHBondContact CE1-OD1 3.35Å; F42-C100 WeakPolarHBondContact CA-O 2.92Å; F42-C100 HydrophobicContact CB-CB 4.27Å; F42-C100 WeakPolarHBondContact CB-O 3.04Å; F42-C100 PolarHBondContact N-O 3.36Å; F42-C100 PolarHBondContact O-N 3.18Å; F42-C100 VanDerWaalsContact O-O 3.12Å; F42-R102 HydrophobicContact CD2-CB 4.28Å; F42-R102 HydrophobicContact CE2-CB 4.05Å
43	V	41.1	Very low	39.1	Very low	2 Å²	2	66 Å²	66	1%	0.012	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	98.4	178.5	178.5	0	0	0	0	107.4	V41 V45 I54 F73 I83 Y99	V41-V43 HydrophobicContact CG1-CG2 4.06Å; V43-V45 HydrophobicContact CG1-CG2 3.64Å; V43-I54 HydrophobicContact CB-CD1 4.37Å; V43-I54 HydrophobicContact CG1-CD1 3.98Å; V43-F73 PolarHBondContact N-O 2.89Å; V43-F73 PolarHBondContact O-N 2.78Å; V43-F73 VanDerWaalsContact O-N 3.16Å; V43-F73 VanDerWaalsContact O-O 3.13Å; V43-I83 HydrophobicContact CB-CD1 4.5Å; V43-I83 HydrophobicContact CG1-CD1 4.22Å; V43-I83 HydrophobicContact CG2-CD1 3.74Å; V43-Y99 HydrophobicContact CB-CD1 4.12Å; V43-Y99 HydrophobicContact CB-CE1 4.11Å; V43-Y99 HydrophobicContact CG1-CD1 3.66Å; V43-Y99 HydrophobicContact CG1-CE1 3.23Å; V43-Y99 HydrophobicContact CG2-CD1 3.79Å; V43-Y99 HydrophobicContact CG2-CE1 3.93Å
44	H	36.8	Very low	40.2	Very low	44 Å²	44	56.8 Å²	56.8	20%	0.204	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.2	176.8	-169.2	-155.1	0	0	0	109.1	C46 Y72 K98	H44-C46 PolarHBondContact CE1-SG 3.47Å; H44-C46 PolarHBondContact NE2-SG 3Å; H44-Y72 AromaticContact CD2-CD1 3.23Å; H44-Y72 WeakPolarHBondContact CD2-CD1 3.03Å; H44-Y72 AromaticContact CD2-CE1 3.31Å; H44-Y72 WeakPolarHBondContact CD2-CE1 3.32Å; H44-Y72 AromaticContact CD2-CG 3.86Å; H44-Y72 AromaticContact CD2-CZ 3.96Å; H44-Y72 AromaticContact CE1-CE1 3.52Å; H44-Y72 AromaticContact CE1-CZ 3.94Å; H44-Y72 AromaticContact NE2-CD1 3.36Å; H44-Y72 WeakPolarHBondContact NE2-CD1 3.28Å; H44-Y72 AromaticContact NE2-CE1 2.86Å; H44-Y72 WeakPolarHBondContact NE2-CE1 3.39Å; H44-Y72 AromaticContact NE2-CE2 3.92Å; H44-Y72 AromaticContact NE2-CZ 3.18Å; H44-Y72 PolarHBondContact NE2-OH 2.87Å; H44-K98 WeakPolarHBondContact CA-O 3.22Å; H44-K98 HydrophobicContact CB-CB 4.3Å; H44-K98 WeakPolarHBondContact CB-O 3.36Å; H44-K98 PolarHBondContact N-O 2.88Å; H44-K98 PolarHBondContact O-N 3.29Å
45	V	43.1	Very low	40.8	Very low	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	91.2	178.2	-163.7	0	0	0	0	109.2	V43 Y47 I54 C71 F73 V85 M97	V43-V45 HydrophobicContact CG1-CG2 3.64Å; V45-Y47 HydrophobicContact CB-CD2 4.18Å; V45-Y47 HydrophobicContact CB-CE2 3.92Å; V45-Y47 HydrophobicContact CG1-CD2 3.58Å; V45-Y47 HydrophobicContact CG1-CE2 3.07Å; V45-Y47 PolarHBondContact O-N 3.19Å; V45-I54 HydrophobicContact CG2-CD1 4.46Å; V45-C71 CarbonylContact C-O 3.15Å; V45-C71 WeakPolarHBondContact CA-O 3.28Å; V45-C71 PolarHBondContact N-O 2.91Å; V45-C71 CarbonylContact O-C 3.37Å; V45-C71 VanDerWaalsContact O-CA 3.28Å; V45-C71 WeakPolarHBondContact O-CA 3.39Å; V45-C71 VanDerWaalsContact O-CB 3.24Å; V45-C71 WeakPolarHBondContact O-CB 3.42Å; V45-C71 PolarHBondContact O-N 3.12Å; V45-F73 HydrophobicContact CB-CD2 4.36Å; V45-F73 HydrophobicContact CB-CE2 4.27Å; V45-F73 HydrophobicContact CG2-CD2 4.01Å; V45-F73 HydrophobicContact CG2-CE2 4.27Å; V45-V85 HydrophobicContact CG1-CG1 4.31Å; V45-M97 HydrophobicContact CB-CE 4.06Å; V45-M97 HydrophobicContact CB-CG 4.17Å; V45-M97 HydrophobicContact CG1-CE 3.5Å; V45-M97 VanDerWaalsContact CG1-CE 3.5Å; V45-M97 HydrophobicContact CG1-CG 3.66Å; V45-M97 HydrophobicContact CG1-SD 4.31Å; V45-M97 HydrophobicContact CG2-CE 3.37Å; V45-M97 HydrophobicContact CG2-CG 4.08Å
46	C	36.2	Very low	41.5	Very low	47 Å²	47	50.2 Å²	50.2	32%	0.318	27%	0.265	S	S	.	.			trans	-66.2	107.1	174.2	-71.1	0	0	0	0	110.2	H44	H44-C46 PolarHBondContact CE1-SG 3.47Å; H44-C46 PolarHBondContact NE2-SG 3Å
47	Y	44.7	Very low	41.9	Very low	4 Å²	4	46.5 Å²	46.5	2%	0.016	25%	0.248	C	C	.	.			trans	-109.5	144.7	160.4	-70.8	-85.9	0	0	0	109.4	I22 V45 T49 C52 G70 C71 V85 H95	I22-Y47 VanDerWaalsContact CD1-OH 3.27Å; I22-Y47 WeakPolarHBondContact CD1-OH 3.48Å; V45-Y47 HydrophobicContact CB-CD2 4.18Å; V45-Y47 HydrophobicContact CB-CE2 3.92Å; V45-Y47 HydrophobicContact CG1-CD2 3.58Å; V45-Y47 HydrophobicContact CG1-CE2 3.07Å; V45-Y47 PolarHBondContact O-N 3.19Å; Y47-T49 PolarHBondContact O-N 3.47Å; Y47-C52 WeakPolarHBondContact CB-SG 3.38Å; Y47-C52 HydrophobicContact CD2-CB 3.48Å; Y47-C52 VanDerWaalsContact CD2-CB 3.48Å; Y47-C52 WeakPolarHBondContact CD2-SG 3Å; Y47-C52 HydrophobicContact CE2-CB 3.67Å; Y47-C52 HydrophobicContact CG-CB 4.09Å; Y47-G70 WeakPolarHBondContact O-CA 3.43Å; Y47-G70 PolarHBondContact O-N 2.78Å; Y47-C71 HydrophobicContact CD2-CB 4.06Å; Y47-V85 HydrophobicContact CE2-CB 4.39Å; Y47-V85 HydrophobicContact CE2-CG1 3.34Å; Y47-V85 WeakPolarHBondContact OH-CB 3.15Å; Y47-V85 WeakPolarHBondContact OH-CG1 3.37Å; Y47-H95 AromaticContact CD1-CE1 3.39Å; Y47-H95 WeakPolarHBondContact CD1-CE1 3.02Å; Y47-H95 AromaticContact CD1-ND1 3.42Å; Y47-H95 WeakPolarHBondContact CD1-ND1 3.23Å; Y47-H95 AromaticContact CE1-CE1 3.31Å; Y47-H95 WeakPolarHBondContact CE1-CE1 3.41Å; Y47-H95 AromaticContact CE1-ND1 3.35Å; Y47-H95 WeakPolarHBondContact CE1-ND1 3.49Å
48	Y	40	Very low	42.3	Very low	195 Å²	195	48.3 Å²	48.3	77%	0.765	25%	0.254	S	S	*	.	S	Bend	trans	-78.8	5.9	166.9	-89.4	-83.3	0	0	0	113.2
49	T	42	Very low	43	Very low	24 Å²	24	48.6 Å²	48.6	15%	0.147	26%	0.255	C	S	.	.	S	Bend	trans	-124.4	140.8	-176.2	59.3	0	0	0	0	113.6	Y47 N51 C52 S87 S89 F93	Y47-T49 PolarHBondContact O-N 3.47Å; T49-N51 PolarHBondContact O-N 3.19Å; T49-C52 PolarHBondContact O-SG 3.24Å; T49-S87 PolarHBondContact OG1-OG 3.48Å; T49-S89 WeakPolarHBondContact CG2-OG 3.28Å; T49-F93 HydrophobicContact CG2-CE2 4.34Å
50	S	45.7	Very low	43.5	Very low	68 Å²	68	53.4 Å²	53.4	48%	0.476	28%	0.28	S	S	.	.	S	Bend	trans	-67.6	-12.2	-169.5	17	0	0	0	0	115.1
51	N	48.2	Very low	44.1	Very low	106 Å²	106	52.6 Å²	52.6	57%	0.567	28%	0.278	S	S	*	.			trans	-120.5	54.6	-166.8	-66.1	-20.3	0	0	0	112.1	T49	T49-N51 PolarHBondContact O-N 3.19Å
52	C	47.2	Very low	44.7	Very low	2 Å²	2	58 Å²	58	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.5	175.7	-50.2	0	0	0	0	109.8	Y47 T49 C65 C71 F73 I86	Y47-C52 WeakPolarHBondContact CB-SG 3.38Å; Y47-C52 HydrophobicContact CD2-CB 3.48Å; Y47-C52 VanDerWaalsContact CD2-CB 3.48Å; Y47-C52 WeakPolarHBondContact CD2-SG 3Å; Y47-C52 HydrophobicContact CE2-CB 3.67Å; Y47-C52 HydrophobicContact CG-CB 4.09Å; T49-C52 PolarHBondContact O-SG 3.24Å; C52-C65 HydrophobicContact CB-CB 4.25Å; C52-C65 WeakPolarHBondContact O-CB 3.11Å; C52-C65 PolarHBondContact O-N 3.16Å; C52-C71 HydrophobicContact CB-CB 4.12Å; C52-C71 VanDerWaalsContact CB-SG 3.51Å; C52-F73 HydrophobicContact CB-CZ 4.32Å; C52-F73 WeakPolarHBondContact O-CZ 3.49Å; C52-I86 WeakPolarHBondContact CA-O 3.24Å
53	Y	51.7	Low	45.3	Very low	57 Å²	57	58.1 Å²	58.1	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.7	175	53.8	-81.6	0	0	0	109.9	Y63 V85 I86	Y53-Y63 CarbonylContact C-O 3.46Å; Y53-Y63 WeakPolarHBondContact CA-O 3.46Å; Y53-Y63 VanDerWaalsContact CB-O 3.28Å; Y53-Y63 WeakPolarHBondContact CB-O 3.44Å; Y53-V85 WeakPolarHBondContact O-CA 2.94Å; Y53-I86 HydrophobicContact CD1-CB 4.48Å; Y53-I86 HydrophobicContact CD2-CB 4.48Å; Y53-I86 HydrophobicContact CD2-CD1 4.46Å; Y53-I86 HydrophobicContact CE1-CB 3.84Å; Y53-I86 HydrophobicContact CE1-CG2 3.88Å; Y53-I86 HydrophobicContact CE2-CB 3.87Å; Y53-I86 HydrophobicContact CE2-CD1 3.48Å; Y53-I86 VanDerWaalsContact CE2-CD1 3.48Å; Y53-I86 HydrophobicContact CE2-CG1 4.15Å; Y53-I86 HydrophobicContact CE2-CG2 4.45Å; Y53-I86 VanDerWaalsContact CZ-CB 3.5Å; Y53-I86 PolarHBondContact N-O 2.97Å; Y53-I86 PolarHBondContact O-N 3.01Å; Y53-I86 WeakPolarHBondContact OH-CD1 2.87Å; Y53-I86 VanDerWaalsContact OH-CG2 3.26Å; Y53-I86 WeakPolarHBondContact OH-CG2 3.2Å
54	I	51.6	Low	45.6	Very low	0 Å²	0	66 Å²	66	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.6	167.9	-69.8	-176.3	0	0	0	106.8	V43 V45 Q62 Y63 F73 V75 I83 V84 V85	V43-I54 HydrophobicContact CB-CD1 4.37Å; V43-I54 HydrophobicContact CG1-CD1 3.98Å; V45-I54 HydrophobicContact CG2-CD1 4.46Å; I54-Q62 CarbonylContact O-C 3.58Å; I54-Q62 WeakPolarHBondContact O-CA 3.44Å; I54-Y63 HydrophobicContact CB-CD2 4.5Å; I54-Y63 HydrophobicContact CG2-CD2 4.25Å; I54-Y63 PolarHBondContact N-O 2.93Å; I54-Y63 PolarHBondContact O-N 3Å; I54-F73 HydrophobicContact CB-CD1 4.2Å; I54-F73 HydrophobicContact CB-CE1 4.3Å; I54-F73 HydrophobicContact CB-CG 4.44Å; I54-F73 HydrophobicContact CD1-CB 3.41Å; I54-F73 VanDerWaalsContact CD1-CB 3.41Å; I54-F73 HydrophobicContact CD1-CD1 3.89Å; I54-F73 HydrophobicContact CD1-CD2 3.35Å; I54-F73 HydrophobicContact CD1-CE1 4.46Å; I54-F73 HydrophobicContact CD1-CE2 3.98Å; I54-F73 HydrophobicContact CD1-CG 3.27Å; I54-F73 HydrophobicContact CD1-CZ 4.49Å; I54-F73 HydrophobicContact CG1-CB 4.34Å; I54-F73 HydrophobicContact CG1-CD1 3.87Å; I54-F73 HydrophobicContact CG1-CD2 3.68Å; I54-F73 HydrophobicContact CG1-CE1 3.98Å; I54-F73 HydrophobicContact CG1-CE2 3.78Å; I54-F73 HydrophobicContact CG1-CG 3.71Å; I54-F73 HydrophobicContact CG1-CZ 3.92Å; I54-V75 HydrophobicContact CD1-CG2 4.21Å; I54-I83 HydrophobicContact CB-CG2 4.45Å; I54-I83 HydrophobicContact CD1-CG2 3.85Å; I54-I83 HydrophobicContact CG1-CG2 3.98Å; I54-I83 HydrophobicContact CG2-CG2 3.8Å; I54-V84 WeakPolarHBondContact CA-O 3.44Å; I54-V85 HydrophobicContact CG1-CG1 4.33Å; I54-V85 HydrophobicContact CG1-CG2 4.16Å
55	N	45.3	Very low	46	Very low	29 Å²	29	64.7 Å²	64.7	16%	0.155	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.3	165.7	-160.4	9.1	0	0	0	109.5	A57 N60 V61 Q62 V84	N55-A57 PolarHBondContact O-N 3.44Å; N55-N60 PolarHBondContact ND2-OD1 2.99Å; N55-V61 PolarHBondContact OD1-O 2.85Å; N55-Q62 HydrophobicContact CB-CG 4.44Å; N55-V84 PolarHBondContact N-O 2.82Å; N55-V84 PolarHBondContact O-N 2.02Å
56	D	46.6	Very low	45.9	Very low	6 Å²	6	72.4 Å²	72.4	3%	0.032	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	108.5	165.2	179.3	-7.3	0	0	0	108.4	Q58 T59 N60 V61 Y63 I80	D56-Q58 PolarHBondContact O-N 3.21Å; D56-Q58 PolarHBondContact OD1-N 3.14Å; D56-T59 VanDerWaalsContact CB-OG1 3.29Å; D56-T59 WeakPolarHBondContact CB-OG1 3.1Å; D56-T59 PolarHBondContact OD1-N 2.85Å; D56-T59 WeakPolarHBondContact OD2-CB 3.37Å; D56-T59 WeakPolarHBondContact OD2-CG2 3.33Å; D56-T59 PolarHBondContact OD2-OG1 2.77Å; D56-N60 WeakPolarHBondContact O-CA 3.1Å; D56-N60 PolarHBondContact O-N 2.96Å; D56-V61 PolarHBondContact N-O 2.05Å; D56-Y63 HydrophobicContact CB-CE2 4.27Å; D56-I80 HydrophobicContact CB-CD1 3.87Å; D56-I80 HydrophobicContact CB-CG1 4.33Å; D56-I80 WeakPolarHBondContact OD2-CD1 3.35Å; D56-I80 WeakPolarHBondContact OD2-CG1 2.99Å
57	A	45.1	Very low	46.1	Very low	60 Å²	60	76.3 Å²	76.3	50%	0.496	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17	-177.9	0	0	0	0	0	114.3	N55	N55-A57 PolarHBondContact O-N 3.44Å
58	Q	41.2	Very low	45.8	Very low	123 Å²	123	81 Å²	81	58%	0.575	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-44.9	-179	-173.2	172.5	-15	0	0	112.8	D56 H79	D56-Q58 PolarHBondContact O-N 3.21Å; D56-Q58 PolarHBondContact OD1-N 3.14Å; Q58-H79 PolarHBondContact OE1-O 3.03Å; Q58-H79 VanDerWaalsContact OE1-O 3.09Å
59	T	49.7	Very low	45.9	Very low	78 Å²	78	81 Å²	81	48%	0.479	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-10.1	178.7	63.6	0	0	0	0	113.2	D56 V61	D56-T59 VanDerWaalsContact CB-OG1 3.29Å; D56-T59 WeakPolarHBondContact CB-OG1 3.1Å; D56-T59 PolarHBondContact OD1-N 2.85Å; D56-T59 WeakPolarHBondContact OD2-CB 3.37Å; D56-T59 WeakPolarHBondContact OD2-CG2 3.33Å; D56-T59 PolarHBondContact OD2-OG1 2.77Å; T59-V61 PolarHBondContact O-N 3.27Å; T59-V61 WeakPolarHBondContact OG1-CB 3.49Å; T59-V61 VanDerWaalsContact OG1-CG2 3.3Å; T59-V61 WeakPolarHBondContact OG1-CG2 3.19Å; T59-V61 PolarHBondContact OG1-N 2.85Å
60	N	48	Very low	46	Very low	124 Å²	124	80 Å²	80	66%	0.663	40%	0.404	S	S	*	.			trans	57.5	20.5	-172.2	-117.5	-16.2	0	0	0	113.4	N55 D56	N55-N60 PolarHBondContact ND2-OD1 2.99Å; D56-N60 WeakPolarHBondContact O-CA 3.1Å; D56-N60 PolarHBondContact O-N 2.96Å
61	V	47.6	Very low	45.8	Very low	61 Å²	61	76.7 Å²	76.7	37%	0.37	38%	0.381	S	S	.	.			trans	-79.7	125.5	176.8	176.9	0	0	0	0	109.1	N55 D56 T59 Y63	N55-V61 PolarHBondContact OD1-O 2.85Å; D56-V61 PolarHBondContact N-O 2.05Å; T59-V61 PolarHBondContact O-N 3.27Å; T59-V61 WeakPolarHBondContact OG1-CB 3.49Å; T59-V61 VanDerWaalsContact OG1-CG2 3.3Å; T59-V61 WeakPolarHBondContact OG1-CG2 3.19Å; T59-V61 PolarHBondContact OG1-N 2.85Å; V61-Y63 HydrophobicContact CB-CE2 4.12Å; V61-Y63 HydrophobicContact CG1-CD1 4.45Å; V61-Y63 HydrophobicContact CG1-CD2 4.3Å; V61-Y63 HydrophobicContact CG1-CE1 3.93Å; V61-Y63 HydrophobicContact CG1-CE2 3.75Å
62	Q	50.1	Low	45.5	Very low	113 Å²	113	76.9 Å²	76.9	53%	0.528	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115	174.3	-65.2	-177.5	-5	0	0	110.2	I54 N55	I54-Q62 CarbonylContact O-C 3.58Å; I54-Q62 WeakPolarHBondContact O-CA 3.44Å; N55-Q62 HydrophobicContact CB-CG 4.44Å
63	Y	49.5	Very low	45.5	Very low	78 Å²	78	77 Å²	77	31%	0.306	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.2	169.3	-56.3	-85.6	0	0	0	107.9	Y53 I54 D56 V61 F73 V75	Y53-Y63 CarbonylContact C-O 3.46Å; Y53-Y63 WeakPolarHBondContact CA-O 3.46Å; Y53-Y63 VanDerWaalsContact CB-O 3.28Å; Y53-Y63 WeakPolarHBondContact CB-O 3.44Å; I54-Y63 HydrophobicContact CB-CD2 4.5Å; I54-Y63 HydrophobicContact CG2-CD2 4.25Å; I54-Y63 PolarHBondContact N-O 2.93Å; I54-Y63 PolarHBondContact O-N 3Å; D56-Y63 HydrophobicContact CB-CE2 4.27Å; V61-Y63 HydrophobicContact CB-CE2 4.12Å; V61-Y63 HydrophobicContact CG1-CD1 4.45Å; V61-Y63 HydrophobicContact CG1-CD2 4.3Å; V61-Y63 HydrophobicContact CG1-CE1 3.93Å; V61-Y63 HydrophobicContact CG1-CE2 3.75Å; Y63-F73 WeakPolarHBondContact O-CE1 3.44Å; Y63-V75 HydrophobicContact CE2-CG1 4.11Å
64	K	47.7	Very low	45	Very low	166 Å²	166	79.8 Å²	79.8	72%	0.722	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.9	173.9	-67.7	-177.1	-178	178.6	0	110.1
65	C	44.5	Very low	44.7	Very low	18 Å²	18	79.9 Å²	79.9	12%	0.122	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-62	132.1	172.4	171.6	0	0	0	0	110.6	C52 Y67 C71 F73	C52-C65 HydrophobicContact CB-CB 4.25Å; C52-C65 WeakPolarHBondContact O-CB 3.11Å; C52-C65 PolarHBondContact O-N 3.16Å; C65-Y67 PolarHBondContact SG-O 3.3Å; C65-C71 HydrophobicContact CB-CB 3.55Å; C65-C71 WeakPolarHBondContact CB-SG 3.49Å; C65-C71 WeakPolarHBondContact SG-CA 3.26Å; C65-C71 WeakPolarHBondContact SG-CB 3.1Å; C65-C71 CovalentContact SG-SG 2.02Å; C65-C71 PolarHBondContact SG-SG 2.82Å; C65-F73 HydrophobicContact CB-CE1 4.07Å; C65-F73 HydrophobicContact CB-CE2 4.45Å; C65-F73 HydrophobicContact CB-CZ 3.7Å; C65-F73 VanDerWaalsContact N-CE1 3.32Å
66	Q	41	Very low	44.5	Very low	161 Å²	161	81.7 Å²	81.7	75%	0.752	41%	0.406	S	S	*	.			trans	-91	-9	178.9	-68.9	-172.6	-13.7	0	0	113.9
67	Y	41.5	Very low	44.3	Very low	130 Å²	130	81.8 Å²	81.8	51%	0.51	41%	0.407	S	S	.	.			trans	-128.1	133.4	-168.6	-62.7	-78.2	0	0	0	113	C65 G70 Y72	C65-Y67 PolarHBondContact SG-O 3.3Å; Y67-G70 WeakPolarHBondContact CB-O 3.39Å; Y67-G70 VanDerWaalsContact O-O 3.1Å; Y67-Y72 AromaticContact CD2-CD2 3.47Å; Y67-Y72 HydrophobicContact CD2-CD2 3.47Å; Y67-Y72 VanDerWaalsContact CD2-CD2 3.47Å; Y67-Y72 HydrophobicContact CD2-CE2 4.29Å; Y67-Y72 HydrophobicContact CD2-CG 4.1Å; Y67-Y72 HydrophobicContact CE2-CD2 4.2Å; Y67-Y72 HydrophobicContact CE2-CG 4.49Å; Y67-Y72 AromaticContact CG-CD2 3.95Å; Y67-Y72 HydrophobicContact CG-CD2 3.95Å; Y67-Y72 HydrophobicContact CG-CE2 4.38Å
68	T	38.8	Very low	44.1	Very low	101 Å²	101	83.8 Å²	83.8	62%	0.62	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.9	-177.7	53.2	0	0	0	0	113.9
69	K	41.5	Very low	43.9	Very low	196 Å²	196	83.8 Å²	83.8	85%	0.852	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	28.5	-177.2	-64.3	-174.6	178.1	179.4	0	113.5
70	G	43.7	Very low	43.4	Very low	2 Å²	2	80.6 Å²	80.6	2%	0.021	39%	0.385	C	S	.	.	S	Bend	trans	132.8	138.9	-172	0	0	0	0	0	110.1	Y47 Y67 Y72	Y47-G70 WeakPolarHBondContact O-CA 3.43Å; Y47-G70 PolarHBondContact O-N 2.78Å; Y67-G70 WeakPolarHBondContact CB-O 3.39Å; Y67-G70 VanDerWaalsContact O-O 3.1Å; G70-Y72 VanDerWaalsContact O-CD2 3.29Å; G70-Y72 WeakPolarHBondContact O-CD2 3.17Å; G70-Y72 WeakPolarHBondContact O-CE2 3.36Å
71	C	41.3	Very low	43	Very low	0 Å²	0	84.8 Å²	84.8	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.1	-177.9	-69.5	0	0	0	0	112.5	V45 Y47 C52 C65 F73	V45-C71 CarbonylContact C-O 3.15Å; V45-C71 WeakPolarHBondContact CA-O 3.28Å; V45-C71 PolarHBondContact N-O 2.91Å; V45-C71 CarbonylContact O-C 3.37Å; V45-C71 VanDerWaalsContact O-CA 3.28Å; V45-C71 WeakPolarHBondContact O-CA 3.39Å; V45-C71 VanDerWaalsContact O-CB 3.24Å; V45-C71 WeakPolarHBondContact O-CB 3.42Å; V45-C71 PolarHBondContact O-N 3.12Å; Y47-C71 HydrophobicContact CD2-CB 4.06Å; C52-C71 HydrophobicContact CB-CB 4.12Å; C52-C71 VanDerWaalsContact CB-SG 3.51Å; C65-C71 HydrophobicContact CB-CB 3.55Å; C65-C71 WeakPolarHBondContact CB-SG 3.49Å; C65-C71 WeakPolarHBondContact SG-CA 3.26Å; C65-C71 WeakPolarHBondContact SG-CB 3.1Å; C65-C71 CovalentContact SG-SG 2.02Å; C65-C71 PolarHBondContact SG-SG 2.82Å; C71-F73 HydrophobicContact CB-CD2 4.38Å; C71-F73 HydrophobicContact CB-CE2 3.6Å; C71-F73 HydrophobicContact CB-CZ 4.07Å
72	Y	42.9	Very low	42.6	Very low	109 Å²	109	82.9 Å²	82.9	43%	0.427	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.4	178.5	-58.8	-100.4	0	0	0	107.2	H44 Y67 G70	H44-Y72 AromaticContact CD2-CD1 3.23Å; H44-Y72 WeakPolarHBondContact CD2-CD1 3.03Å; H44-Y72 AromaticContact CD2-CE1 3.31Å; H44-Y72 WeakPolarHBondContact CD2-CE1 3.32Å; H44-Y72 AromaticContact CD2-CG 3.86Å; H44-Y72 AromaticContact CD2-CZ 3.96Å; H44-Y72 AromaticContact CE1-CE1 3.52Å; H44-Y72 AromaticContact CE1-CZ 3.94Å; H44-Y72 AromaticContact NE2-CD1 3.36Å; H44-Y72 WeakPolarHBondContact NE2-CD1 3.28Å; H44-Y72 AromaticContact NE2-CE1 2.86Å; H44-Y72 WeakPolarHBondContact NE2-CE1 3.39Å; H44-Y72 AromaticContact NE2-CE2 3.92Å; H44-Y72 AromaticContact NE2-CZ 3.18Å; H44-Y72 PolarHBondContact NE2-OH 2.87Å; Y67-Y72 AromaticContact CD2-CD2 3.47Å; Y67-Y72 HydrophobicContact CD2-CD2 3.47Å; Y67-Y72 VanDerWaalsContact CD2-CD2 3.47Å; Y67-Y72 HydrophobicContact CD2-CE2 4.29Å; Y67-Y72 HydrophobicContact CD2-CG 4.1Å; Y67-Y72 HydrophobicContact CE2-CD2 4.2Å; Y67-Y72 HydrophobicContact CE2-CG 4.49Å; Y67-Y72 AromaticContact CG-CD2 3.95Å; Y67-Y72 HydrophobicContact CG-CD2 3.95Å; Y67-Y72 HydrophobicContact CG-CE2 4.38Å; G70-Y72 VanDerWaalsContact O-CD2 3.29Å; G70-Y72 WeakPolarHBondContact O-CD2 3.17Å; G70-Y72 WeakPolarHBondContact O-CE2 3.36Å
73	F	46	Very low	42.3	Very low	6 Å²	6	77.5 Å²	77.5	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.4	174.4	-58.8	-87.2	0	0	0	109.2	V43 V45 C52 I54 Y63 C65 C71 V75	V43-F73 PolarHBondContact N-O 2.89Å; V43-F73 PolarHBondContact O-N 2.78Å; V43-F73 VanDerWaalsContact O-N 3.16Å; V43-F73 VanDerWaalsContact O-O 3.13Å; V45-F73 HydrophobicContact CB-CD2 4.36Å; V45-F73 HydrophobicContact CB-CE2 4.27Å; V45-F73 HydrophobicContact CG2-CD2 4.01Å; V45-F73 HydrophobicContact CG2-CE2 4.27Å; C52-F73 HydrophobicContact CB-CZ 4.32Å; C52-F73 WeakPolarHBondContact O-CZ 3.49Å; I54-F73 HydrophobicContact CB-CD1 4.2Å; I54-F73 HydrophobicContact CB-CE1 4.3Å; I54-F73 HydrophobicContact CB-CG 4.44Å; I54-F73 HydrophobicContact CD1-CB 3.41Å; I54-F73 VanDerWaalsContact CD1-CB 3.41Å; I54-F73 HydrophobicContact CD1-CD1 3.89Å; I54-F73 HydrophobicContact CD1-CD2 3.35Å; I54-F73 HydrophobicContact CD1-CE1 4.46Å; I54-F73 HydrophobicContact CD1-CE2 3.98Å; I54-F73 HydrophobicContact CD1-CG 3.27Å; I54-F73 HydrophobicContact CD1-CZ 4.49Å; I54-F73 HydrophobicContact CG1-CB 4.34Å; I54-F73 HydrophobicContact CG1-CD1 3.87Å; I54-F73 HydrophobicContact CG1-CD2 3.68Å; I54-F73 HydrophobicContact CG1-CE1 3.98Å; I54-F73 HydrophobicContact CG1-CE2 3.78Å; I54-F73 HydrophobicContact CG1-CG 3.71Å; I54-F73 HydrophobicContact CG1-CZ 3.92Å; Y63-F73 WeakPolarHBondContact O-CE1 3.44Å; C65-F73 HydrophobicContact CB-CE1 4.07Å; C65-F73 HydrophobicContact CB-CE2 4.45Å; C65-F73 HydrophobicContact CB-CZ 3.7Å; C65-F73 VanDerWaalsContact N-CE1 3.32Å; C71-F73 HydrophobicContact CB-CD2 4.38Å; C71-F73 HydrophobicContact CB-CE2 3.6Å; C71-F73 HydrophobicContact CB-CZ 4.07Å; F73-V75 HydrophobicContact CB-CG2 3.76Å; F73-V75 PolarHBondContact O-N 2.99Å
74	D	40.9	Very low	41.9	Very low	115 Å²	115	74.9 Å²	74.9	62%	0.615	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	102	169.6	-63.6	-32.5	0	0	0	107.2	F42	F42-D74 WeakPolarHBondContact CD1-OD1 3.27Å; F42-D74 WeakPolarHBondContact CE1-OD1 3.35Å
75	V	46.4	Very low	41.8	Very low	1 Å²	1	67 Å²	67	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.4	-175.2	-164.2	0	0	0	0	109.8	V41 I54 Y63 F73 L77 I80	V41-V75 PolarHBondContact N-O 2.83Å; V41-V75 CarbonylContact O-C 3.53Å; V41-V75 PolarHBondContact O-N 2.81Å; I54-V75 HydrophobicContact CD1-CG2 4.21Å; Y63-V75 HydrophobicContact CE2-CG1 4.11Å; F73-V75 HydrophobicContact CB-CG2 3.76Å; F73-V75 PolarHBondContact O-N 2.99Å; V75-L77 HydrophobicContact CG1-CD2 4.37Å; V75-L77 PolarHBondContact O-N 2.92Å; V75-L77 VanDerWaalsContact O-N 3.09Å; V75-I80 HydrophobicContact CG1-CD1 3.26Å
76	T	40.6	Very low	41.9	Very low	67 Å²	67	67.3 Å²	67.3	41%	0.411	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	103.1	173.6	-52.4	0	0	0	0	108.8	P38 I40 Q78	P38-T76 HydrophobicContact CB-CG2 3.88Å; I40-T76 HydrophobicContact CG1-CG2 4.25Å; T76-Q78 VanDerWaalsContact C-N 3.32Å; T76-Q78 PolarHBondContact O-N 3.36Å
77	L	41.9	Very low	42	Very low	8 Å²	8	60.4 Å²	60.4	4%	0.042	28%	0.283	C	S	.	.			trans	-79.3	80.1	176.6	-54.8	178.8	0	0	0	109.2	I27 T39 V41 V75 I80 I83 F101	I27-L77 HydrophobicContact CD1-CD1 3.83Å; T39-L77 PolarHBondContact O-N 2.88Å; V41-L77 HydrophobicContact CB-CD1 3.64Å; V41-L77 HydrophobicContact CB-CG 3.76Å; V41-L77 HydrophobicContact CG1-CD1 3.92Å; V41-L77 HydrophobicContact CG1-CG 4.47Å; V41-L77 HydrophobicContact CG2-CB 4.15Å; V41-L77 HydrophobicContact CG2-CD1 3.45Å; V41-L77 VanDerWaalsContact CG2-CD1 3.45Å; V41-L77 HydrophobicContact CG2-CG 3.75Å; V75-L77 HydrophobicContact CG1-CD2 4.37Å; V75-L77 PolarHBondContact O-N 2.92Å; V75-L77 VanDerWaalsContact O-N 3.09Å; L77-I80 HydrophobicContact CD2-CB 3.59Å; L77-I80 HydrophobicContact CD2-CD1 4Å; L77-I80 HydrophobicContact CD2-CG1 3.97Å; L77-I80 HydrophobicContact CD2-CG2 4.37Å; L77-I83 HydrophobicContact CD2-CD1 4.37Å; L77-F101 HydrophobicContact CD1-CE1 4.27Å
78	Q	41.5	Very low	42.1	Very low	102 Å²	102	58.8 Å²	58.8	48%	0.477	28%	0.283	S	S	.	.	S	Bend	trans	-78.1	-32	157.9	-87.5	-175.4	-33.1	0	0	110.9	P38 T76	P38-Q78 HydrophobicContact CB-CG 3.99Å; T76-Q78 VanDerWaalsContact C-N 3.32Å; T76-Q78 PolarHBondContact O-N 3.36Å
79	H	37.5	Very low	42.1	Very low	123 Å²	123	55.3 Å²	55.3	57%	0.569	26%	0.263	S	S	*	.	S	Bend	trans	-144.4	1.4	-173.2	-60.7	-62.6	0	0	0	116.9	Q58 R81	Q58-H79 PolarHBondContact OE1-O 3.03Å; Q58-H79 VanDerWaalsContact OE1-O 3.09Å; H79-R81 PolarHBondContact O-N 3.46Å; H79-R81 VanDerWaalsContact O-N 3.09Å
80	I	39.6	Very low	41.9	Very low	11 Å²	11	51.2 Å²	51.2	6%	0.056	26%	0.255	C	S	.	.			trans	-78.1	107.6	-172.6	-43	-173.7	0	0	0	111	D56 V75 L77 T82 I83	D56-I80 HydrophobicContact CB-CD1 3.87Å; D56-I80 HydrophobicContact CB-CG1 4.33Å; D56-I80 WeakPolarHBondContact OD2-CD1 3.35Å; D56-I80 WeakPolarHBondContact OD2-CG1 2.99Å; V75-I80 HydrophobicContact CG1-CD1 3.26Å; L77-I80 HydrophobicContact CD2-CB 3.59Å; L77-I80 HydrophobicContact CD2-CD1 4Å; L77-I80 HydrophobicContact CD2-CG1 3.97Å; L77-I80 HydrophobicContact CD2-CG2 4.37Å; I80-T82 WeakPolarHBondContact CG2-O 3.31Å; I80-I83 HydrophobicContact CG2-CG1 3.93Å
81	R	39.4	Very low	41.4	Very low	213 Å²	213	54.4 Å²	54.4	80%	0.804	28%	0.276	S	S	*	.	S	Bend	trans	-85.6	-19.5	175.1	-63.5	-177.3	179.6	-178.2	0.3	113.3	H79	H79-R81 PolarHBondContact O-N 3.46Å; H79-R81 VanDerWaalsContact O-N 3.09Å
82	T	38	Very low	40.9	Very low	20 Å²	20	63.2 Å²	63.2	12%	0.123	31%	0.311	C	S	.	.			trans	-145.4	114.3	-171.7	-57.7	0	0	0	0	108.7	R23 I80 V84	R23-T82 HydrophobicContact CG-CG2 3.48Å; R23-T82 VanDerWaalsContact CG-CG2 3.48Å; I80-T82 WeakPolarHBondContact CG2-O 3.31Å; T82-V84 HydrophobicContact CG2-CG2 3.97Å
83	I	44.7	Very low	40.6	Very low	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.6	170.4	-69.8	172.8	0	0	0	105.5	V24 I27 V43 I54 L77 I80 V85 Y99	V24-I83 WeakPolarHBondContact CG2-O 3.34Å; V24-I83 PolarHBondContact N-O 3.44Å; I27-I83 HydrophobicContact CD1-CD1 4.33Å; V43-I83 HydrophobicContact CB-CD1 4.5Å; V43-I83 HydrophobicContact CG1-CD1 4.22Å; V43-I83 HydrophobicContact CG2-CD1 3.74Å; I54-I83 HydrophobicContact CB-CG2 4.45Å; I54-I83 HydrophobicContact CD1-CG2 3.85Å; I54-I83 HydrophobicContact CG1-CG2 3.98Å; I54-I83 HydrophobicContact CG2-CG2 3.8Å; L77-I83 HydrophobicContact CD2-CD1 4.37Å; I80-I83 HydrophobicContact CG2-CG1 3.93Å; I83-V85 HydrophobicContact CG2-CG2 3.56Å; I83-Y99 HydrophobicContact CD1-CE1 4.15Å
84	V	40.7	Very low	39.9	Very low	24 Å²	24	68.4 Å²	68.4	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.8	170.5	-176	0	0	0	0	107.8	A21 I22 I54 N55 T82 I86	A21-V84 VanDerWaalsContact CA-CG1 3.43Å; A21-V84 HydrophobicContact CB-CG1 3.49Å; A21-V84 VanDerWaalsContact CB-CG1 3.49Å; I22-V84 VanDerWaalsContact O-CA 3.28Å; I22-V84 WeakPolarHBondContact O-CA 3.46Å; I54-V84 WeakPolarHBondContact CA-O 3.44Å; N55-V84 PolarHBondContact N-O 2.82Å; N55-V84 PolarHBondContact O-N 2.02Å; T82-V84 HydrophobicContact CG2-CG2 3.97Å; V84-I86 HydrophobicContact CG1-CD1 4.19Å; V84-I86 HydrophobicContact CG1-CG1 4.02Å
85	V	45	Very low	39.9	Very low	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.8	175.6	-154.2	0	0	0	0	109.2	I22 V45 Y47 Y53 I54 I83 M97	I22-V85 HydrophobicContact CD1-CB 4.16Å; I22-V85 WeakPolarHBondContact CG1-O 3.3Å; I22-V85 PolarHBondContact N-O 3.24Å; V45-V85 HydrophobicContact CG1-CG1 4.31Å; Y47-V85 HydrophobicContact CE2-CB 4.39Å; Y47-V85 HydrophobicContact CE2-CG1 3.34Å; Y47-V85 WeakPolarHBondContact OH-CB 3.15Å; Y47-V85 WeakPolarHBondContact OH-CG1 3.37Å; Y53-V85 WeakPolarHBondContact O-CA 2.94Å; I54-V85 HydrophobicContact CG1-CG1 4.33Å; I54-V85 HydrophobicContact CG1-CG2 4.16Å; I83-V85 HydrophobicContact CG2-CG2 3.56Å; V85-M97 HydrophobicContact CB-CE 4.4Å; V85-M97 HydrophobicContact CG2-CE 3.41Å; V85-M97 VanDerWaalsContact CG2-CE 3.41Å
86	I	46.3	Very low	39.4	Very low	25 Å²	25	67.7 Å²	67.7	13%	0.128	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.2	-178.6	-62.1	163.7	0	0	0	108.1	H20 C52 Y53 V84	H20-I86 WeakPolarHBondContact O-CA 3.18Å; C52-I86 WeakPolarHBondContact CA-O 3.24Å; Y53-I86 HydrophobicContact CD1-CB 4.48Å; Y53-I86 HydrophobicContact CD2-CB 4.48Å; Y53-I86 HydrophobicContact CD2-CD1 4.46Å; Y53-I86 HydrophobicContact CE1-CB 3.84Å; Y53-I86 HydrophobicContact CE1-CG2 3.88Å; Y53-I86 HydrophobicContact CE2-CB 3.87Å; Y53-I86 HydrophobicContact CE2-CD1 3.48Å; Y53-I86 VanDerWaalsContact CE2-CD1 3.48Å; Y53-I86 HydrophobicContact CE2-CG1 4.15Å; Y53-I86 HydrophobicContact CE2-CG2 4.45Å; Y53-I86 VanDerWaalsContact CZ-CB 3.5Å; Y53-I86 PolarHBondContact N-O 2.97Å; Y53-I86 PolarHBondContact O-N 3.01Å; Y53-I86 WeakPolarHBondContact OH-CD1 2.87Å; Y53-I86 VanDerWaalsContact OH-CG2 3.26Å; Y53-I86 WeakPolarHBondContact OH-CG2 3.2Å; V84-I86 HydrophobicContact CG1-CD1 4.19Å; V84-I86 HydrophobicContact CG1-CG1 4.02Å
87	S	44.8	Very low	39.3	Very low	16 Å²	16	64.6 Å²	64.6	11%	0.112	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.5	173.7	-170.8	0	0	0	0	109.4	T49	T49-S87 PolarHBondContact OG1-OG 3.48Å
88	N	42.4	Very low	39.3	Very low	96 Å²	96	68 Å²	68	51%	0.513	33%	0.327	S	S	.	.			trans	-100.6	34.5	175.9	-74.7	-10.3	0	0	0	112.1	S19	S19-N88 PolarHBondContact OG-OD1 3.06Å
89	S	40	Very low	39.5	Very low	28 Å²	28	63.7 Å²	63.7	20%	0.196	31%	0.306	C	S	.	.			trans	-100.2	140.9	175.5	-163.1	0	0	0	0	112.5	T49 F93	T49-S89 WeakPolarHBondContact CG2-OG 3.28Å; S89-F93 WeakPolarHBondContact OG-CE2 2.86Å
90	T	36.8	Very low	39.5	Very low	110 Å²	110	59.1 Å²	59.1	68%	0.675	29%	0.288	S	S	*	.			trans	-84.2	-3.2	-177.5	44.3	0	0	0	0	114.4	A17	A17-T90 HydrophobicContact CB-CG2 4.45Å
91	S	32.9	Very low	39.5	Very low	68 Å²	68	59.6 Å²	59.6	48%	0.476	29%	0.29	S	S	.	.	S	Bend	trans	-104.6	143.6	-173.6	-67.3	0	0	0	0	112.2	F93	S91-F93 WeakPolarHBondContact O-CD2 3.2Å; S91-F93 WeakPolarHBondContact O-CE2 3.31Å; S91-F93 PolarHBondContact O-N 2.89Å
92	Y	31.5	Very low	39.4	Very low	185 Å²	185	55 Å²	55	73%	0.725	27%	0.272	S	S	*	.			trans	-61.7	122.6	172.2	-68.3	-92.5	0	0	0	109.2
93	F	35.8	Very low	39.2	Very low	63 Å²	63	56.3 Å²	56.3	28%	0.276	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.9	179.1	-67.3	-66.9	0	0	0	112.2	T49 S89 S91 H95	T49-F93 HydrophobicContact CG2-CE2 4.34Å; S89-F93 WeakPolarHBondContact OG-CE2 2.86Å; S91-F93 WeakPolarHBondContact O-CD2 3.2Å; S91-F93 WeakPolarHBondContact O-CE2 3.31Å; S91-F93 PolarHBondContact O-N 2.89Å; F93-H95 PolarHBondContact O-CD2 3.27Å; F93-H95 PolarHBondContact O-N 3.1Å; F93-H95 PolarHBondContact O-NE2 2.9Å
94	F	31.4	Very low	38.6	Very low	162 Å²	162	60.1 Å²	60.1	71%	0.711	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	110.3	163.5	-80	-91.9	0	0	0	108	T11 I13	T11-F94 HydrophobicContact CG2-CD1 4.49Å; I13-F94 HydrophobicContact CD1-CE1 3.95Å; I13-F94 HydrophobicContact CG1-CD1 4.12Å; I13-F94 HydrophobicContact CG1-CE1 4.04Å
95	H	39.8	Very low	38.2	Very low	12 Å²	12	62.8 Å²	62.8	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.8	175.6	-59.5	-74.5	0	0	0	108.7	T11 L12 Y47 F93	T11-H95 CarbonylContact C-O 3.53Å; T11-H95 WeakPolarHBondContact CA-O 3.36Å; L12-H95 HydrophobicContact CB-CB 4.01Å; L12-H95 PolarHBondContact N-O 2.84Å; L12-H95 WeakPolarHBondContact O-CA 3.29Å; L12-H95 WeakPolarHBondContact O-CB 3.36Å; L12-H95 PolarHBondContact O-N 3.39Å; Y47-H95 AromaticContact CD1-CE1 3.39Å; Y47-H95 WeakPolarHBondContact CD1-CE1 3.02Å; Y47-H95 AromaticContact CD1-ND1 3.42Å; Y47-H95 WeakPolarHBondContact CD1-ND1 3.23Å; Y47-H95 AromaticContact CE1-CE1 3.31Å; Y47-H95 WeakPolarHBondContact CE1-CE1 3.41Å; Y47-H95 AromaticContact CE1-ND1 3.35Å; Y47-H95 WeakPolarHBondContact CE1-ND1 3.49Å; F93-H95 PolarHBondContact O-CD2 3.27Å; F93-H95 PolarHBondContact O-N 3.1Å; F93-H95 PolarHBondContact O-NE2 2.9Å
96	L	36.2	Very low	38	Very low	89 Å²	89	69 Å²	69	47%	0.466	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	96.5	167.5	-143.5	112.8	0	0	0	107.9	K9	K9-L96 HydrophobicContact CD-CD2 4.41Å
97	M	39.5	Very low	37.6	Very low	1 Å²	1	71.3 Å²	71.3	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.4	169.2	-99.7	174.4	160.9	0	0	109.5	K9 V10 L12 V45 V85 Y99	K9-M97 CarbonylContact C-O 3.54Å; K9-M97 WeakPolarHBondContact CA-O 3.39Å; V10-M97 HydrophobicContact CB-CB 4.18Å; V10-M97 PolarHBondContact N-O 3.2Å; V10-M97 WeakPolarHBondContact O-CA 3.34Å; V10-M97 WeakPolarHBondContact O-CB 3.5Å; V10-M97 PolarHBondContact O-N 3.42Å; L12-M97 HydrophobicContact CD1-SD 3.67Å; V45-M97 HydrophobicContact CB-CE 4.06Å; V45-M97 HydrophobicContact CB-CG 4.17Å; V45-M97 HydrophobicContact CG1-CE 3.5Å; V45-M97 VanDerWaalsContact CG1-CE 3.5Å; V45-M97 HydrophobicContact CG1-CG 3.66Å; V45-M97 HydrophobicContact CG1-SD 4.31Å; V45-M97 HydrophobicContact CG2-CE 3.37Å; V45-M97 HydrophobicContact CG2-CG 4.08Å; V85-M97 HydrophobicContact CB-CE 4.4Å; V85-M97 HydrophobicContact CG2-CE 3.41Å; V85-M97 VanDerWaalsContact CG2-CE 3.41Å; M97-Y99 HydrophobicContact CB-CD2 4.23Å; M97-Y99 HydrophobicContact CB-CE2 3.77Å; M97-Y99 HydrophobicContact CE-CE2 4.38Å; M97-Y99 WeakPolarHBondContact CE-OH 3.43Å; M97-Y99 HydrophobicContact CG-CE2 4Å; M97-Y99 HydrophobicContact SD-CE2 3.46Å; M97-Y99 WeakPolarHBondContact SD-CE2 3.42Å; M97-Y99 PolarHBondContact SD-OH 3Å
98	K	41.4	Very low	37.3	Very low	80 Å²	80	74.2 Å²	74.2	35%	0.348	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.6	168.2	-163.5	-179.1	177.4	-172.7	0	108	C7 T8 K9 H44	C7-K98 HydrophobicContact CB-CD 4.43Å; C7-K98 VanDerWaalsContact CB-CE 3.48Å; C7-K98 HydrophobicContact CB-CG 4.19Å; T8-K98 CarbonylContact O-C 3.53Å; T8-K98 WeakPolarHBondContact O-CA 3.21Å; K9-K98 HydrophobicContact CG-CG 4.23Å; H44-K98 WeakPolarHBondContact CA-O 3.22Å; H44-K98 HydrophobicContact CB-CB 4.3Å; H44-K98 WeakPolarHBondContact CB-O 3.36Å; H44-K98 PolarHBondContact N-O 2.88Å; H44-K98 PolarHBondContact O-N 3.29Å
99	Y	45.7	Very low	37	Very low	11 Å²	11	72.9 Å²	72.9	4%	0.043	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	111.8	174.6	-69.7	-88.4	0	0	0	108.5	C7 T8 V10 V24 V43 I83 M97	C7-Y99 CarbonylContact C-O 3.56Å; C7-Y99 WeakPolarHBondContact CA-O 3.18Å; T8-Y99 PolarHBondContact N-O 3.35Å; T8-Y99 PolarHBondContact O-N 3.06Å; V10-Y99 HydrophobicContact CB-CE2 4.36Å; V10-Y99 HydrophobicContact CG2-CD2 3.98Å; V10-Y99 HydrophobicContact CG2-CE2 4.14Å; V24-Y99 WeakPolarHBondContact CG2-OH 3.34Å; V43-Y99 HydrophobicContact CB-CD1 4.12Å; V43-Y99 HydrophobicContact CB-CE1 4.11Å; V43-Y99 HydrophobicContact CG1-CD1 3.66Å; V43-Y99 HydrophobicContact CG1-CE1 3.23Å; V43-Y99 HydrophobicContact CG2-CD1 3.79Å; V43-Y99 HydrophobicContact CG2-CE1 3.93Å; I83-Y99 HydrophobicContact CD1-CE1 4.15Å; M97-Y99 HydrophobicContact CB-CD2 4.23Å; M97-Y99 HydrophobicContact CB-CE2 3.77Å; M97-Y99 HydrophobicContact CE-CE2 4.38Å; M97-Y99 WeakPolarHBondContact CE-OH 3.43Å; M97-Y99 HydrophobicContact CG-CE2 4Å; M97-Y99 HydrophobicContact SD-CE2 3.46Å; M97-Y99 WeakPolarHBondContact SD-CE2 3.42Å; M97-Y99 PolarHBondContact SD-OH 3Å
100	C	38.2	Very low	36.8	Very low	28 Å²	28	75.6 Å²	75.6	19%	0.189	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.7	175.6	-68.7	0	0	0	0	109.9	Y6 C7 F42	Y6-C100 CarbonylContact O-C 3.46Å; Y6-C100 WeakPolarHBondContact O-CA 3.09Å; C7-C100 HydrophobicContact CB-CB 4.2Å; C7-C100 WeakPolarHBondContact CB-SG 3.2Å; C7-C100 WeakPolarHBondContact SG-CB 3.34Å; C7-C100 CovalentContact SG-SG 2.05Å; C7-C100 PolarHBondContact SG-SG 2.81Å; F42-C100 WeakPolarHBondContact CA-O 2.92Å; F42-C100 HydrophobicContact CB-CB 4.27Å; F42-C100 WeakPolarHBondContact CB-O 3.04Å; F42-C100 PolarHBondContact N-O 3.36Å; F42-C100 PolarHBondContact O-N 3.18Å; F42-C100 VanDerWaalsContact O-O 3.12Å
101	F	39.9	Very low	36.8	Very low	21 Å²	21	73.4 Å²	73.4	9%	0.092	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.7	170.7	-57.9	-89.6	0	0	0	107.9	S5 Y6 I27 L32 V41 L77 V103	S5-F101 CarbonylContact C-O 3.59Å; S5-F101 WeakPolarHBondContact CA-O 3.4Å; Y6-F101 HydrophobicContact CD1-CD2 4.25Å; Y6-F101 PolarHBondContact N-O 2.97Å; Y6-F101 PolarHBondContact O-N 2.6Å; I27-F101 HydrophobicContact CG2-CE1 3.52Å; I27-F101 HydrophobicContact CG2-CE2 4.49Å; I27-F101 HydrophobicContact CG2-CZ 3.37Å; L32-F101 HydrophobicContact CD1-CD1 4.19Å; L32-F101 HydrophobicContact CD1-CE1 4.36Å; V41-F101 HydrophobicContact CB-CD1 4.1Å; V41-F101 HydrophobicContact CB-CE1 4.25Å; V41-F101 HydrophobicContact CG1-CD1 3.46Å; V41-F101 VanDerWaalsContact CG1-CD1 3.46Å; V41-F101 HydrophobicContact CG1-CE1 3.39Å; V41-F101 HydrophobicContact CG1-CG 4.15Å; V41-F101 HydrophobicContact CG1-CZ 4.04Å; V41-F101 HydrophobicContact CG2-CD1 3.46Å; V41-F101 VanDerWaalsContact CG2-CD1 3.46Å; V41-F101 HydrophobicContact CG2-CE1 3.83Å; V41-F101 HydrophobicContact CG2-CG 4.5Å; L77-F101 HydrophobicContact CD1-CE1 4.27Å; F101-V103 HydrophobicContact CB-CG2 4.44Å
102	R	36.3	Very low	37	Very low	117 Å²	117	73.8 Å²	73.8	44%	0.442	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	104.9	165	-171.5	175.5	-177.8	176.7	-1	107.5	F42	F42-R102 HydrophobicContact CD2-CB 4.28Å; F42-R102 HydrophobicContact CE2-CB 4.05Å
103	V	34	Very low	37.4	Very low	46 Å²	46	65.9 Å²	65.9	28%	0.279	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.6	176.2	-173	0	0	0	0	107.7	F4 F101 V105	F4-V103 PolarHBondContact N-O 3.34Å; F4-V103 PolarHBondContact O-N 3.29Å; F101-V103 HydrophobicContact CB-CG2 4.44Å; V103-V105 HydrophobicContact CG1-CG2 3.75Å
104	A	32.3	Very low	37.6	Very low	80 Å²	80	66.1 Å²	66.1	66%	0.661	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	104.7	162.2	0	0	0	0	0	107
105	V	33.1	Very low	38.1	Very low	80 Å²	80	58.1 Å²	58.1	49%	0.485	32%	0.323	S	S	.	.			trans	-88.6	114.2	168.5	-164.6	0	0	0	0	105.5	F4 V103	F4-V105 HydrophobicContact CD2-CG2 4.4Å; V103-V105 HydrophobicContact CG1-CG2 3.75Å
106	T	40.7	Very low	37.9	Very low	132 Å²	132	62.3 Å²	62.3	81%	0.81	35%	0.347	S	S	*	.			trans	-69.5	0	166.3	48.9	0	0	0	0	109.3	M1	M1-T106 HydrophobicContact CE-CG2 4.14Å

Retrieved 106 of 106 residues in 29.8 ms (Link to these results)

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