A0A077YZY0_TRITR Loading...

Stackhouse genomic scaffold, scaffold 388

AlphaFold DB , UniProt , Accession A0A077YZY0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 93 aa.

						>A0A077YZY0_TRITR|A0A077YZY0
MLIQSPLFRYEASNCSALGADSVRPSRLSTVIKACQSSRYRIEHPIVRSPGFTVDAHYFGSTSAGYWAEKVIVFDRHPRKDGDTVALSSGKNG
					

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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	26	Very low	29	Very low	232 Å²	232	151.7 Å²	151.7	100%	1.143	74%	0.741	S	S	*	*				0	97.4	0	-162.2	177.9	-169.3	0	0	107.5
2	L	23.8	Very low	29.4	Very low	173 Å²	173	141.6 Å²	141.6	91%	0.906	70%	0.7	S	S	*	*			trans	-94.1	108.3	177.1	-88.7	150.2	0	0	0	107.4	Q4	L2-Q4 PolarHBondContact O-N 3.12Å
3	I	25.4	Very low	29.4	Very low	112 Å²	112	135.3 Å²	135.3	57%	0.574	68%	0.678	S	S	*	*			trans	-81.5	96.1	170.2	-59.4	174.1	0	0	0	106.3	S5	I3-S5 PolarHBondContact O-N 2.86Å
4	Q	24.6	Very low	29.7	Very low	180 Å²	180	132.5 Å²	132.5	84%	0.841	67%	0.667	S	S	*	*			trans	-62.7	112.8	165.1	-73.8	-169.5	-44.6	0	0	107.5	L2 P6	L2-Q4 PolarHBondContact O-N 3.12Å; Q4-P6 VanDerWaalsContact O-CD 3.3Å; Q4-P6 WeakPolarHBondContact O-CD 3.32Å
5	S	24.7	Very low	30.5	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	63%	0.632	S	S	*	*			trans	-80.7	119.1	179	-68.3	0	0	0	0	109.9	I3 L7	I3-S5 PolarHBondContact O-N 2.86Å; S5-L7 PolarHBondContact O-N 3.27Å
6	P	33.5	Very low	30.9	Very low	98 Å²	98	122.9 Å²	122.9	64%	0.636	63%	0.632	S	S	*	*			trans	-79	99.1	174.9	31	-31.7	0	0	0	109.6	Q4 F8	Q4-P6 VanDerWaalsContact O-CD 3.3Å; Q4-P6 WeakPolarHBondContact O-CD 3.32Å; P6-F8 VanDerWaalsContact CA-CE2 3.46Å; P6-F8 HydrophobicContact CB-CD2 3.43Å; P6-F8 VanDerWaalsContact CB-CD2 3.43Å; P6-F8 HydrophobicContact CB-CE2 3.18Å; P6-F8 HydrophobicContact CB-CZ 4.35Å
7	L	32.2	Very low	31	Very low	145 Å²	145	121.6 Å²	121.6	76%	0.759	64%	0.644	S	S	*	*			trans	-88.6	103	172.9	-162.2	138.3	0	0	0	107.4	S5	S5-L7 PolarHBondContact O-N 3.27Å
8	F	34.7	Very low	31.3	Very low	167 Å²	167	119.8 Å²	119.8	73%	0.732	63%	0.634	S	S	*	*			trans	-132.5	110.8	-172.5	-67.2	-62.3	0	0	0	116.2	P6	P6-F8 VanDerWaalsContact CA-CE2 3.46Å; P6-F8 HydrophobicContact CB-CD2 3.43Å; P6-F8 VanDerWaalsContact CB-CD2 3.43Å; P6-F8 HydrophobicContact CB-CE2 3.18Å; P6-F8 HydrophobicContact CB-CZ 4.35Å
9	R	31.2	Very low	31.3	Very low	219 Å²	219	116.3 Å²	116.3	83%	0.826	63%	0.629	S	S	*	*			trans	22.5	135.9	153.8	-78.9	176.2	166.6	162.5	-4.6	123.1
10	Y	33.5	Very low	31.4	Very low	94 Å²	94	114.7 Å²	114.7	37%	0.369	63%	0.633	S	S	.	*			trans	-105.3	148.9	174.7	-55.3	-92.4	0	0	0	110.4	V71 I72 V73	Y10-V71 HydrophobicContact CD1-CB 4.36Å; Y10-V71 HydrophobicContact CD1-CG1 3.3Å; Y10-V71 HydrophobicContact CE1-CG1 3.74Å; Y10-V71 HydrophobicContact CG-CG1 4.24Å; Y10-I72 WeakPolarHBondContact CE1-O 3.17Å; Y10-V73 HydrophobicContact CD1-CG2 4.45Å; Y10-V73 VanDerWaalsContact CE1-CA 3.48Å; Y10-V73 HydrophobicContact CE1-CB 3.88Å; Y10-V73 HydrophobicContact CE1-CG1 4.49Å; Y10-V73 HydrophobicContact CE1-CG2 3.38Å; Y10-V73 WeakPolarHBondContact OH-CA 3.49Å; Y10-V73 VanDerWaalsContact OH-CB 3.29Å; Y10-V73 WeakPolarHBondContact OH-CB 3.36Å; Y10-V73 WeakPolarHBondContact OH-CG1 2.93Å; Y10-V73 WeakPolarHBondContact OH-CG2 3.34Å
11	E	29.3	Very low	31.5	Very low	162 Å²	162	115.9 Å²	115.9	76%	0.757	64%	0.638	S	S	*	*			trans	-127.2	117.4	156.5	-157	168.4	-161.2	0	0	107.6
12	A	34.3	Very low	31.8	Very low	30 Å²	30	109.4 Å²	109.4	25%	0.248	62%	0.616	C	S	.	*			trans	-126.8	74.6	-176.9	0	0	0	0	0	107.3	N14 C15 V71	A12-N14 PolarHBondContact O-N 3.14Å; A12-C15 HydrophobicContact CB-CB 4.25Å; A12-C15 PolarHBondContact O-N 3.28Å; A12-V71 HydrophobicContact CB-CG2 3.28Å
13	S	28.7	Very low	32.4	Very low	60 Å²	60	103.9 Å²	103.9	42%	0.42	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	1.1	-170.8	-35.2	0	0	0	0	113.9	E69	S13-E69 WeakPolarHBondContact CA-OE1 3.23Å; S13-E69 WeakPolarHBondContact CA-OE2 3.11Å; S13-E69 VanDerWaalsContact CB-CD 3.47Å; S13-E69 WeakPolarHBondContact CB-OE1 3.3Å; S13-E69 WeakPolarHBondContact CB-OE2 2.99Å; S13-E69 PolarHBondContact N-OE1 2.75Å; S13-E69 PolarHBondContact N-OE2 3.18Å; S13-E69 VanDerWaalsContact N-OE2 3.1Å; S13-E69 PolarHBondContact OG-OE1 3.18Å
14	N	33.6	Very low	33.1	Very low	96 Å²	96	107.2 Å²	107.2	51%	0.513	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.1	4.7	171.9	-70	-68.4	0	0	0	116.8	A12 S16 Y40 E69	A12-N14 PolarHBondContact O-N 3.14Å; N14-S16 WeakPolarHBondContact CA-OG 3.43Å; N14-S16 PolarHBondContact O-N 3.14Å; N14-Y40 VanDerWaalsContact C-OH 3.25Å; N14-Y40 WeakPolarHBondContact CB-OH 3.21Å; N14-Y40 PolarHBondContact O-OH 3.35Å; N14-Y40 VanDerWaalsContact O-OH 3.05Å; N14-E69 PolarHBondContact N-OE2 2.89Å; N14-E69 VanDerWaalsContact N-OE2 3.15Å; N14-E69 PolarHBondContact ND2-OE2 3.4Å
15	C	42.4	Very low	33.9	Very low	21 Å²	21	102.9 Å²	102.9	14%	0.142	58%	0.582	C	S	.	*	S	Bend	trans	-88.4	39.5	150	-72.1	0	0	0	0	108.4	A12 A17 L18 C35	A12-C15 HydrophobicContact CB-CB 4.25Å; A12-C15 PolarHBondContact O-N 3.28Å; C15-A17 PolarHBondContact O-N 3.34Å; C15-L18 PolarHBondContact O-N 3.34Å; C15-C35 WeakPolarHBondContact CB-SG 3.47Å; C15-C35 WeakPolarHBondContact SG-CB 3.18Å; C15-C35 CovalentContact SG-SG 2.1Å; C15-C35 PolarHBondContact SG-SG 2.95Å
16	S	36.5	Very low	34.9	Very low	91 Å²	91	103.2 Å²	103.2	64%	0.636	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	5.1	-153.9	23.1	0	0	0	0	117.2	N14	N14-S16 WeakPolarHBondContact CA-OG 3.43Å; N14-S16 PolarHBondContact O-N 3.14Å
17	A	32.4	Very low	35.6	Very low	101 Å²	101	106 Å²	106	84%	0.835	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-8.1	169.8	0	0	0	0	0	113.3	C15 G19	C15-A17 PolarHBondContact O-N 3.34Å; A17-G19 VanDerWaalsContact C-N 3.27Å; A17-G19 PolarHBondContact O-N 2.98Å
18	L	36.4	Very low	36.4	Very low	88 Å²	88	100 Å²	100	46%	0.461	55%	0.55	S	S	.	*	S	Bend	trans	-91.6	73.1	168.2	-66.5	169.3	0	0	0	107.4	C15 V31	C15-L18 PolarHBondContact O-N 3.34Å; L18-V31 HydrophobicContact CD1-CB 4.48Å; L18-V31 HydrophobicContact CD1-CG1 4.13Å; L18-V31 HydrophobicContact CD1-CG2 4.04Å
19	G	32.4	Very low	37.3	Very low	53 Å²	53	95.3 Å²	95.3	55%	0.546	54%	0.539	S	S	.	.			trans	-46.8	152.9	169.7	0	0	0	0	0	110.6	A17 D21	A17-G19 VanDerWaalsContact C-N 3.27Å; A17-G19 PolarHBondContact O-N 2.98Å; G19-D21 PolarHBondContact O-N 3.21Å
20	A	32.7	Very low	38.4	Very low	85 Å²	85	88.8 Å²	88.8	70%	0.702	52%	0.523	S	S	*	.	S	Bend	trans	-60.8	31.5	-169.4	0	0	0	0	0	116.8
21	D	33.5	Very low	39.2	Very low	139 Å²	139	85.1 Å²	85.1	74%	0.743	51%	0.511	S	S	*	.	S	Bend	trans	-100.4	103.4	178.4	-76.3	-41	0	0	0	110.6	G19 V23	G19-D21 PolarHBondContact O-N 3.21Å; D21-V23 PolarHBondContact O-N 3.26Å; D21-V23 VanDerWaalsContact O-N 3.11Å
22	S	31.4	Very low	40.3	Very low	97 Å²	97	78.7 Å²	78.7	68%	0.678	48%	0.481	S	S	*	.			trans	16.5	83.2	156	54.2	0	0	0	0	116.6	R24	S22-R24 PolarHBondContact O-N 3.05Å
23	V	37.6	Very low	41.2	Very low	56 Å²	56	84.3 Å²	84.3	34%	0.339	50%	0.5	S	S	.	.			trans	-68.2	105.9	163.9	-179.2	0	0	0	0	107.2	D21 R27 V31	D21-V23 PolarHBondContact O-N 3.26Å; D21-V23 VanDerWaalsContact O-N 3.11Å; V23-R27 HydrophobicContact CG1-CB 3.84Å; V23-V31 HydrophobicContact CB-CG2 4.32Å; V23-V31 HydrophobicContact CG1-CG2 3.52Å; V23-V31 HydrophobicContact CG2-CG2 3.83Å
24	R	39.6	Very low	42.3	Very low	182 Å²	182	83.4 Å²	83.4	69%	0.687	50%	0.497	S	S	*	.			trans	-59.3	146.8	168.5	-67.2	-175.4	178.7	-166.7	-0.5	109.1	S22 S26 R27	S22-R24 PolarHBondContact O-N 3.05Å; R24-S26 PolarHBondContact O-N 3.39Å; R24-R27 PolarHBondContact O-N 2.88Å
25	P	41.9	Very low	43	Very low	89 Å²	89	79 Å²	79	58%	0.578	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-48.6	-33.3	176.3	-28.9	34.6	0	0	0	113.6	R27 L28	P25-R27 PolarHBondContact O-N 3.05Å; P25-R27 VanDerWaalsContact O-N 3.14Å; P25-L28 WeakPolarHBondContact O-CB 3.48Å; P25-L28 PolarHBondContact O-N 3.12Å; P25-L28 VanDerWaalsContact O-N 3.09Å
26	S	44.9	Very low	43.4	Very low	95 Å²	95	83.7 Å²	83.7	66%	0.664	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-62.2	-18.3	175.5	59.9	0	0	0	0	115.5	R24	R24-S26 PolarHBondContact O-N 3.39Å
27	R	48.3	Very low	44.1	Very low	157 Å²	157	84.5 Å²	84.5	59%	0.592	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-103.5	-0	178.1	-58.1	-171.5	82.6	-176.5	5.2	112.6	V23 R24 P25 S29 T30 V31	V23-R27 HydrophobicContact CG1-CB 3.84Å; R24-R27 PolarHBondContact O-N 2.88Å; P25-R27 PolarHBondContact O-N 3.05Å; P25-R27 VanDerWaalsContact O-N 3.14Å; R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 3.02Å; R27-T30 WeakPolarHBondContact O-CB 3.2Å; R27-T30 PolarHBondContact O-N 2.86Å; R27-T30 VanDerWaalsContact O-N 3.07Å; R27-V31 PolarHBondContact O-N 3.09Å
28	L	50.3	Low	44.7	Very low	17 Å²	17	82.1 Å²	82.1	9%	0.089	48%	0.476	C	S	.	.	H	α-helix	trans	-59.2	-41.1	-179.2	-178	56.4	0	0	0	112.2	P25 T30 V31 I32 V73 D75	P25-L28 WeakPolarHBondContact O-CB 3.48Å; P25-L28 PolarHBondContact O-N 3.12Å; P25-L28 VanDerWaalsContact O-N 3.09Å; L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 3.13Å; L28-V31 PolarHBondContact O-N 3.07Å; L28-V31 VanDerWaalsContact O-N 3.13Å; L28-I32 HydrophobicContact CD1-CD1 4.26Å; L28-I32 HydrophobicContact CD1-CG1 4.36Å; L28-I32 HydrophobicContact CG-CD1 3.93Å; L28-I32 HydrophobicContact CG-CG1 4.5Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.33Å; L28-I32 PolarHBondContact O-N 3.34Å; L28-V73 HydrophobicContact CD1-CB 3.95Å; L28-V73 HydrophobicContact CD1-CG1 3.3Å; L28-V73 HydrophobicContact CD1-CG2 3.86Å; L28-V73 HydrophobicContact CD2-CG1 3.97Å; L28-V73 HydrophobicContact CG-CG1 4.26Å; L28-D75 HydrophobicContact CD2-CB 4.39Å
29	S	53.2	Low	45.1	Very low	70 Å²	70	87.7 Å²	87.7	49%	0.49	49%	0.491	S	S	.	.	H	α-helix	trans	-61.5	-34.8	175.7	62.4	0	0	0	0	112.8	R27 K33	R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 3.02Å; S29-K33 WeakPolarHBondContact O-CB 3.34Å; S29-K33 VanDerWaalsContact O-CG 3.32Å; S29-K33 WeakPolarHBondContact O-CG 3.24Å; S29-K33 PolarHBondContact O-N 3.38Å
30	T	52.8	Low	45.6	Very low	82 Å²	82	86.8 Å²	86.8	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-70.1	-40.2	174.2	-52.4	0	0	0	0	111.4	R27 L28 K33 A34	R27-T30 WeakPolarHBondContact O-CB 3.2Å; R27-T30 PolarHBondContact O-N 2.86Å; R27-T30 VanDerWaalsContact O-N 3.07Å; L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 3.13Å; T30-K33 PolarHBondContact O-N 2.97Å; T30-A34 WeakPolarHBondContact O-CB 3.19Å; T30-A34 PolarHBondContact O-N 3.33Å
31	V	50.4	Low	46.1	Very low	16 Å²	16	87.5 Å²	87.5	10%	0.097	46%	0.455	C	S	.	.	H	α-helix	trans	-65	-44.2	176.1	174.9	0	0	0	0	111.2	L18 V23 R27 L28 K33 A34 C35 F59	L18-V31 HydrophobicContact CD1-CB 4.48Å; L18-V31 HydrophobicContact CD1-CG1 4.13Å; L18-V31 HydrophobicContact CD1-CG2 4.04Å; V23-V31 HydrophobicContact CB-CG2 4.32Å; V23-V31 HydrophobicContact CG1-CG2 3.52Å; V23-V31 HydrophobicContact CG2-CG2 3.83Å; R27-V31 PolarHBondContact O-N 3.09Å; L28-V31 PolarHBondContact O-N 3.07Å; L28-V31 VanDerWaalsContact O-N 3.13Å; V31-K33 PolarHBondContact O-N 2.96Å; V31-A34 PolarHBondContact O-N 2.88Å; V31-C35 PolarHBondContact O-N 3.33Å; V31-F59 HydrophobicContact CG1-CZ 4.35Å
32	I	53	Low	46.8	Very low	28 Å²	28	82.6 Å²	82.6	14%	0.144	43%	0.429	C	S	.	.	H	α-helix	trans	-58.2	-49.5	174.5	-69.8	165.4	0	0	0	110.1	L28 A34 C35 Q36 I42 H57 F59	L28-I32 HydrophobicContact CD1-CD1 4.26Å; L28-I32 HydrophobicContact CD1-CG1 4.36Å; L28-I32 HydrophobicContact CG-CD1 3.93Å; L28-I32 HydrophobicContact CG-CG1 4.5Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.33Å; L28-I32 PolarHBondContact O-N 3.34Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 3.14Å; I32-C35 PolarHBondContact O-N 2.8Å; I32-Q36 HydrophobicContact CG2-CG 4.25Å; I32-Q36 VanDerWaalsContact O-CB 3.31Å; I32-Q36 WeakPolarHBondContact O-CB 3.25Å; I32-Q36 WeakPolarHBondContact O-CG 3.31Å; I32-Q36 PolarHBondContact O-N 2.87Å; I32-I42 HydrophobicContact CG2-CD1 3.81Å; I32-H57 VanDerWaalsContact CD1-CE1 3.43Å; I32-H57 WeakPolarHBondContact CD1-CE1 3.19Å; I32-H57 WeakPolarHBondContact CD1-ND1 3.45Å; I32-F59 HydrophobicContact CG1-CE1 4.5Å; I32-F59 HydrophobicContact CG1-CZ 3.9Å
33	K	54	Low	47.4	Very low	147 Å²	147	82.2 Å²	82.2	64%	0.639	42%	0.417	S	S	*	.	H	α-helix	trans	-61	-39.8	177	-77.8	178.5	178.7	-177	0	112.9	S29 T30 V31 Q36 S37	S29-K33 WeakPolarHBondContact O-CB 3.34Å; S29-K33 VanDerWaalsContact O-CG 3.32Å; S29-K33 WeakPolarHBondContact O-CG 3.24Å; S29-K33 PolarHBondContact O-N 3.38Å; T30-K33 PolarHBondContact O-N 2.97Å; V31-K33 PolarHBondContact O-N 2.96Å; K33-Q36 PolarHBondContact O-N 3.47Å; K33-S37 PolarHBondContact O-N 3.46Å
34	A	50.5	Low	48	Very low	42 Å²	42	84.1 Å²	84.1	35%	0.347	42%	0.421	S	S	.	.	H	α-helix	trans	-64.7	-47.8	179.3	0	0	0	0	0	111.2	T30 V31 I32 S37	T30-A34 WeakPolarHBondContact O-CB 3.19Å; T30-A34 PolarHBondContact O-N 3.33Å; V31-A34 PolarHBondContact O-N 2.88Å; I32-A34 VanDerWaalsContact C-N 3.33Å; I32-A34 PolarHBondContact O-N 3.14Å; A34-S37 PolarHBondContact O-N 3.35Å; A34-S37 PolarHBondContact O-OG 3.14Å
35	C	49.9	Very low	48.2	Very low	3 Å²	3	77.2 Å²	77.2	2%	0.02	40%	0.4	C	S	.	.	H	α-helix	trans	-79.5	-15.8	179.3	-58.6	0	0	0	0	112.3	C15 V31 I32 S37 S38 Y40 F59	C15-C35 WeakPolarHBondContact CB-SG 3.47Å; C15-C35 WeakPolarHBondContact SG-CB 3.18Å; C15-C35 CovalentContact SG-SG 2.1Å; C15-C35 PolarHBondContact SG-SG 2.95Å; V31-C35 PolarHBondContact O-N 3.33Å; I32-C35 PolarHBondContact O-N 2.8Å; C35-S37 VanDerWaalsContact C-N 3.32Å; C35-S38 VanDerWaalsContact O-O 3.11Å; C35-Y40 HydrophobicContact CB-CD2 4.38Å; C35-Y40 WeakPolarHBondContact O-CB 3.33Å; C35-Y40 WeakPolarHBondContact O-CD2 3.3Å; C35-F59 HydrophobicContact CB-CD1 3.32Å; C35-F59 HydrophobicContact CB-CE1 3.5Å; C35-F59 HydrophobicContact CB-CG 4.3Å
36	Q	50.4	Low	48.5	Very low	120 Å²	120	75.7 Å²	75.7	56%	0.561	39%	0.387	S	S	*	.	H	α-helix	trans	-68.9	-26	167.5	-83	176.8	-13.5	0	0	113.5	I32 K33 S38 I42	I32-Q36 HydrophobicContact CG2-CG 4.25Å; I32-Q36 VanDerWaalsContact O-CB 3.31Å; I32-Q36 WeakPolarHBondContact O-CB 3.25Å; I32-Q36 WeakPolarHBondContact O-CG 3.31Å; I32-Q36 PolarHBondContact O-N 2.87Å; K33-Q36 PolarHBondContact O-N 3.47Å; Q36-S38 PolarHBondContact O-N 2.87Å; Q36-I42 HydrophobicContact CG-CD1 3.6Å
37	S	50.1	Low	48.5	Very low	108 Å²	108	74.4 Å²	74.4	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.6	179.6	74	0	0	0	0	113.3	K33 A34 C35	K33-S37 PolarHBondContact O-N 3.46Å; A34-S37 PolarHBondContact O-N 3.35Å; A34-S37 PolarHBondContact O-OG 3.14Å; C35-S37 VanDerWaalsContact C-N 3.32Å
38	S	45.5	Very low	48.2	Very low	51 Å²	51	77.1 Å²	77.1	36%	0.357	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	164.9	175.9	24.1	0	0	0	0	109.1	C35 Q36 Y40	C35-S38 VanDerWaalsContact O-O 3.11Å; Q36-S38 PolarHBondContact O-N 2.87Å; S38-Y40 VanDerWaalsContact CB-CE2 3.42Å; S38-Y40 PolarHBondContact O-N 3.33Å; S38-Y40 WeakPolarHBondContact OG-CD2 3.07Å; S38-Y40 VanDerWaalsContact OG-CE2 3.28Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.2Å
39	R	44.4	Very low	47.8	Very low	204 Å²	204	79.2 Å²	79.2	77%	0.77	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	36.7	-166.9	-60.6	178.5	177.3	176.1	-1.5	114.7
40	Y	43.1	Very low	47.5	Very low	35 Å²	35	82.2 Å²	82.2	14%	0.137	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131	-175.9	-63.8	-88.8	0	0	0	111.1	N14 C35 S38 F59 G60 S61	N14-Y40 VanDerWaalsContact C-OH 3.25Å; N14-Y40 WeakPolarHBondContact CB-OH 3.21Å; N14-Y40 PolarHBondContact O-OH 3.35Å; N14-Y40 VanDerWaalsContact O-OH 3.05Å; C35-Y40 HydrophobicContact CB-CD2 4.38Å; C35-Y40 WeakPolarHBondContact O-CB 3.33Å; C35-Y40 WeakPolarHBondContact O-CD2 3.3Å; S38-Y40 VanDerWaalsContact CB-CE2 3.42Å; S38-Y40 PolarHBondContact O-N 3.33Å; S38-Y40 WeakPolarHBondContact OG-CD2 3.07Å; S38-Y40 VanDerWaalsContact OG-CE2 3.28Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.2Å; Y40-F59 HydrophobicContact CD1-CB 4.38Å; Y40-G60 VanDerWaalsContact CA-O 3.22Å; Y40-G60 WeakPolarHBondContact CA-O 3.31Å; Y40-G60 VanDerWaalsContact CD1-C 3.5Å; Y40-S61 VanDerWaalsContact CE1-CB 3.5Å
41	R	43.9	Very low	47.4	Very low	99 Å²	99	80.9 Å²	80.9	37%	0.374	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.4	163.9	-83	-168.9	169.3	-144.6	0.9	109.2	F59 G60 N92	R41-F59 WeakPolarHBondContact O-CA 3.34Å; R41-G60 PolarHBondContact N-O 3.44Å; R41-G60 VanDerWaalsContact N-O 3.1Å; R41-G60 PolarHBondContact O-N 3.43Å; R41-N92 PolarHBondContact NE-OD1 2.8Å; R41-N92 PolarHBondContact NH1-OD1 2.88Å; R41-N92 PolarHBondContact NH2-OD1 3.17Å
42	I	47.4	Very low	47.1	Very low	37 Å²	37	83.5 Å²	83.5	19%	0.19	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.9	173.5	-51.4	-179.1	0	0	0	109.5	I32 Q36 H44 H57 Y58 F59	I32-I42 HydrophobicContact CG2-CD1 3.81Å; Q36-I42 HydrophobicContact CG-CD1 3.6Å; I42-H44 WeakPolarHBondContact CG2-NE2 3.22Å; I42-H57 HydrophobicContact CG2-CB 4.44Å; I42-Y58 WeakPolarHBondContact CA-O 3.48Å; I42-F59 HydrophobicContact CD1-CD1 3.94Å; I42-F59 HydrophobicContact CD1-CE1 3.45Å; I42-F59 VanDerWaalsContact CD1-CE1 3.45Å; I42-F59 HydrophobicContact CD1-CZ 4.3Å; I42-F59 HydrophobicContact CG1-CD1 3.77Å; I42-F59 HydrophobicContact CG1-CE1 3.78Å
43	E	45.5	Very low	47	Very low	89 Å²	89	83.1 Å²	83.1	42%	0.416	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.1	172.6	-71.1	178.9	169.3	0	0	109.6	P45 H57 Y58	E43-P45 WeakPolarHBondContact O-CD 3.03Å; E43-H57 CarbonylContact O-C 3.46Å; E43-H57 WeakPolarHBondContact O-CA 3.29Å; E43-Y58 HydrophobicContact CB-CD2 3.52Å; E43-Y58 HydrophobicContact CB-CE2 4.47Å; E43-Y58 HydrophobicContact CB-CG 4.17Å; E43-Y58 PolarHBondContact N-O 2.82Å; E43-Y58 WeakPolarHBondContact O-CD2 3.3Å; E43-Y58 PolarHBondContact O-N 3.41Å
44	H	49.7	Very low	46.9	Very low	95 Å²	95	77 Å²	77	44%	0.44	41%	0.405	S	S	.	.			trans	-113.8	76.2	-174.6	-63.3	124.6	0	0	0	112.2	I42 I46 A56 H57	I42-H44 WeakPolarHBondContact CG2-NE2 3.22Å; H44-I46 PolarHBondContact O-N 3.41Å; H44-A56 CarbonylContact C-O 3.5Å; H44-A56 WeakPolarHBondContact CA-O 3.34Å; H44-H57 AromaticContact CD2-CE1 3.33Å; H44-H57 PolarHBondContact CD2-CE1 2.84Å; H44-H57 AromaticContact CD2-CG 3.69Å; H44-H57 AromaticContact CD2-ND1 2.95Å; H44-H57 PolarHBondContact CD2-ND1 2.94Å; H44-H57 AromaticContact NE2-CE1 3.33Å; H44-H57 PolarHBondContact NE2-CE1 3.24Å; H44-H57 VanDerWaalsContact NE2-CE1 3.33Å; H44-H57 AromaticContact NE2-CG 3.97Å; H44-H57 AromaticContact NE2-ND1 2.88Å; H44-H57 PolarHBondContact NE2-ND1 2.96Å
45	P	43.1	Very low	47	Very low	37 Å²	37	77.2 Å²	77.2	24%	0.24	40%	0.4	C	S	.	.			trans	-75.3	128.6	171.6	35.4	-42.1	0	0	0	109.8	E43 A56 Y58	E43-P45 WeakPolarHBondContact O-CD 3.03Å; P45-A56 WeakPolarHBondContact CD-O 3.28Å; P45-A56 HydrophobicContact CG-CB 3.48Å; P45-A56 VanDerWaalsContact CG-CB 3.48Å; P45-A56 WeakPolarHBondContact O-CA 3.15Å; P45-A56 WeakPolarHBondContact O-CB 3.45Å; P45-A56 PolarHBondContact O-N 2.88Å; P45-Y58 HydrophobicContact CB-CE2 4.1Å; P45-Y58 HydrophobicContact CG-CD2 3.81Å; P45-Y58 HydrophobicContact CG-CE2 3.1Å
46	I	47.9	Very low	47.1	Very low	57 Å²	57	77.1 Å²	77.1	29%	0.292	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.7	167.2	-61.2	179.8	0	0	0	107.8	H44 T53 V54 V85	H44-I46 PolarHBondContact O-N 3.41Å; I46-T53 HydrophobicContact CG2-CG2 3.59Å; I46-V54 CarbonylContact C-O 3.49Å; I46-V54 VanDerWaalsContact CA-O 3.25Å; I46-V54 WeakPolarHBondContact CA-O 3.33Å; I46-V85 HydrophobicContact CD1-CB 4.46Å; I46-V85 HydrophobicContact CD1-CG1 3.89Å; I46-V85 HydrophobicContact CD1-CG2 4.12Å
47	V	45.5	Very low	47	Very low	69 Å²	69	72.2 Å²	72.2	42%	0.418	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.1	174.3	-178.1	0	0	0	0	108.8	V54	V47-V54 HydrophobicContact CB-CB 4.14Å; V47-V54 PolarHBondContact N-O 3.18Å; V47-V54 VanDerWaalsContact O-CB 3.31Å; V47-V54 WeakPolarHBondContact O-CB 3.47Å; V47-V54 PolarHBondContact O-N 3.49Å; V47-V54 VanDerWaalsContact O-N 3.14Å
48	R	41.4	Very low	47	Very low	214 Å²	214	70 Å²	70	81%	0.808	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.3	-176.3	-61.6	178.7	179.7	178.9	-0.1	110.2
49	S	43	Very low	47.2	Very low	61 Å²	61	67.7 Å²	67.7	43%	0.427	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.1	161.5	-75.6	0	0	0	0	109.5	G51 F52	S49-G51 PolarHBondContact O-N 3.03Å; S49-F52 PolarHBondContact N-O 3.4Å; S49-F52 PolarHBondContact O-N 3.03Å
50	P	46.4	Very low	47.3	Very low	133 Å²	133	58.7 Å²	58.7	86%	0.864	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	117.6	174	-21.9	31.8	0	0	0	110.4
51	G	50.4	Low	47.3	Very low	53 Å²	53	57.8 Å²	57.8	55%	0.546	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-5	179.8	0	0	0	0	0	116.7	S49	S49-G51 PolarHBondContact O-N 3.03Å
52	F	44.7	Very low	47.5	Very low	72 Å²	72	57.4 Å²	57.4	32%	0.316	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.3	-176.1	-56	-90.7	0	0	0	112	S49 R76	S49-F52 PolarHBondContact N-O 3.4Å; S49-F52 PolarHBondContact O-N 3.03Å; F52-R76 HydrophobicContact CB-CG 3.88Å; F52-R76 HydrophobicContact CD1-CG 3.86Å; F52-R76 HydrophobicContact CG-CG 4.12Å
53	T	50.8	Low	47.3	Very low	20 Å²	20	58.9 Å²	58.9	12%	0.123	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.7	165.8	-55.7	0	0	0	0	107.3	I46 R76 H77	I46-T53 HydrophobicContact CG2-CG2 3.59Å; T53-R76 WeakPolarHBondContact O-CA 3.37Å; T53-H77 PolarHBondContact N-O 2.66Å; T53-H77 PolarHBondContact O-N 3.11Å; T53-H77 VanDerWaalsContact O-N 3.12Å
54	V	51.9	Low	47	Very low	17 Å²	17	58.8 Å²	58.8	10%	0.103	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.5	171.8	-176.2	0	0	0	0	108.3	I46 V47 A56 F74 D75 R76	I46-V54 CarbonylContact C-O 3.49Å; I46-V54 VanDerWaalsContact CA-O 3.25Å; I46-V54 WeakPolarHBondContact CA-O 3.33Å; V47-V54 HydrophobicContact CB-CB 4.14Å; V47-V54 PolarHBondContact N-O 3.18Å; V47-V54 VanDerWaalsContact O-CB 3.31Å; V47-V54 WeakPolarHBondContact O-CB 3.47Å; V47-V54 PolarHBondContact O-N 3.49Å; V47-V54 VanDerWaalsContact O-N 3.14Å; V54-A56 PolarHBondContact O-N 3.17Å; V54-F74 HydrophobicContact CG1-CB 3.78Å; V54-F74 HydrophobicContact CG1-CD1 3.43Å; V54-F74 VanDerWaalsContact CG1-CD1 3.43Å; V54-F74 HydrophobicContact CG1-CE1 4.43Å; V54-F74 HydrophobicContact CG1-CG 4.05Å; V54-D75 CarbonylContact C-O 3.49Å; V54-D75 WeakPolarHBondContact CA-O 3.09Å; V54-R76 HydrophobicContact CG2-CB 4.49Å; V54-R76 HydrophobicContact CG2-CG 4.39Å
55	D	51.8	Low	46.5	Very low	47 Å²	47	58 Å²	58	25%	0.251	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	114.9	169.3	-68.2	-34.7	0	0	0	107.5	V73 F74 D75 H77	D55-V73 CarbonylContact C-O 3.55Å; D55-V73 CarbonylContact O-C 3.48Å; D55-F74 CarbonylContact O-C 3.6Å; D55-F74 WeakPolarHBondContact O-CA 3.35Å; D55-D75 HydrophobicContact CB-CB 4.23Å; D55-D75 PolarHBondContact N-O 3.24Å; D55-D75 PolarHBondContact O-N 3.24Å; D55-H77 IonicContact OD2-CE1 3.39Å; D55-H77 PolarHBondContact OD2-CE1 3.15Å; D55-H77 IonicContact OD2-ND1 3.96Å
56	A	51.6	Low	46.1	Very low	1 Å²	1	64.9 Å²	64.9	1%	0.008	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	168	0	0	0	0	0	109.4	H44 P45 V54 I72 V73 F74	H44-A56 CarbonylContact C-O 3.5Å; H44-A56 WeakPolarHBondContact CA-O 3.34Å; P45-A56 WeakPolarHBondContact CD-O 3.28Å; P45-A56 HydrophobicContact CG-CB 3.48Å; P45-A56 VanDerWaalsContact CG-CB 3.48Å; P45-A56 WeakPolarHBondContact O-CA 3.15Å; P45-A56 WeakPolarHBondContact O-CB 3.45Å; P45-A56 PolarHBondContact O-N 2.88Å; V54-A56 PolarHBondContact O-N 3.17Å; A56-I72 HydrophobicContact CB-CG2 3.89Å; A56-V73 CarbonylContact C-O 3.38Å; A56-V73 WeakPolarHBondContact CA-O 3.35Å; A56-F74 HydrophobicContact CB-CD1 3.98Å; A56-F74 HydrophobicContact CB-CE1 4.02Å
57	H	50	Low	45.9	Very low	17 Å²	17	70.5 Å²	70.5	8%	0.079	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.4	170.4	-58.7	-104.7	0	0	0	108.7	I32 I42 E43 H44 F59 V71 I72 V73	I32-H57 VanDerWaalsContact CD1-CE1 3.43Å; I32-H57 WeakPolarHBondContact CD1-CE1 3.19Å; I32-H57 WeakPolarHBondContact CD1-ND1 3.45Å; I42-H57 HydrophobicContact CG2-CB 4.44Å; E43-H57 CarbonylContact O-C 3.46Å; E43-H57 WeakPolarHBondContact O-CA 3.29Å; H44-H57 AromaticContact CD2-CE1 3.33Å; H44-H57 PolarHBondContact CD2-CE1 2.84Å; H44-H57 AromaticContact CD2-CG 3.69Å; H44-H57 AromaticContact CD2-ND1 2.95Å; H44-H57 PolarHBondContact CD2-ND1 2.94Å; H44-H57 AromaticContact NE2-CE1 3.33Å; H44-H57 PolarHBondContact NE2-CE1 3.24Å; H44-H57 VanDerWaalsContact NE2-CE1 3.33Å; H44-H57 AromaticContact NE2-CG 3.97Å; H44-H57 AromaticContact NE2-ND1 2.88Å; H44-H57 PolarHBondContact NE2-ND1 2.96Å; H57-F59 HydrophobicContact CB-CE2 3.8Å; H57-F59 HydrophobicContact CB-CZ 4.33Å; H57-V71 CarbonylContact C-O 3.5Å; H57-V71 CarbonylContact O-C 3.51Å; H57-I72 CarbonylContact O-C 3.53Å; H57-I72 VanDerWaalsContact O-CA 3.23Å; H57-I72 WeakPolarHBondContact O-CA 3.43Å; H57-V73 HydrophobicContact CB-CB 3.93Å; H57-V73 HydrophobicContact CB-CG2 4.1Å; H57-V73 PolarHBondContact N-O 2.94Å; H57-V73 PolarHBondContact O-N 3.02Å
58	Y	49.5	Very low	45.6	Very low	63 Å²	63	69 Å²	69	25%	0.247	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	139.7	167.6	-62.8	-74	0	0	0	109.8	I42 E43 P45 K70 V71 I72	I42-Y58 WeakPolarHBondContact CA-O 3.48Å; E43-Y58 HydrophobicContact CB-CD2 3.52Å; E43-Y58 HydrophobicContact CB-CE2 4.47Å; E43-Y58 HydrophobicContact CB-CG 4.17Å; E43-Y58 PolarHBondContact N-O 2.82Å; E43-Y58 WeakPolarHBondContact O-CD2 3.3Å; E43-Y58 PolarHBondContact O-N 3.41Å; P45-Y58 HydrophobicContact CB-CE2 4.1Å; P45-Y58 HydrophobicContact CG-CD2 3.81Å; P45-Y58 HydrophobicContact CG-CE2 3.1Å; Y58-K70 HydrophobicContact CD1-CB 4.32Å; Y58-K70 HydrophobicContact CD1-CD 4.29Å; Y58-V71 CarbonylContact C-O 3.54Å; Y58-V71 WeakPolarHBondContact CA-O 3.34Å; Y58-I72 HydrophobicContact CD1-CD1 4.36Å; Y58-I72 HydrophobicContact CD1-CG1 3.79Å; Y58-I72 HydrophobicContact CE1-CD1 3.71Å; Y58-I72 HydrophobicContact CE1-CG1 3.61Å; Y58-I72 HydrophobicContact CE1-CG2 4.32Å
59	F	50	Low	45.7	Very low	2 Å²	2	61.4 Å²	61.4	1%	0.009	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130	164.2	-59.6	-99.3	0	0	0	106.7	V31 I32 C35 Y40 R41 I42 H57 E69 K70 V71 V73	V31-F59 HydrophobicContact CG1-CZ 4.35Å; I32-F59 HydrophobicContact CG1-CE1 4.5Å; I32-F59 HydrophobicContact CG1-CZ 3.9Å; C35-F59 HydrophobicContact CB-CD1 3.32Å; C35-F59 HydrophobicContact CB-CE1 3.5Å; C35-F59 HydrophobicContact CB-CG 4.3Å; Y40-F59 HydrophobicContact CD1-CB 4.38Å; R41-F59 WeakPolarHBondContact O-CA 3.34Å; I42-F59 HydrophobicContact CD1-CD1 3.94Å; I42-F59 HydrophobicContact CD1-CE1 3.45Å; I42-F59 VanDerWaalsContact CD1-CE1 3.45Å; I42-F59 HydrophobicContact CD1-CZ 4.3Å; I42-F59 HydrophobicContact CG1-CD1 3.77Å; I42-F59 HydrophobicContact CG1-CE1 3.78Å; H57-F59 HydrophobicContact CB-CE2 3.8Å; H57-F59 HydrophobicContact CB-CZ 4.33Å; F59-E69 CarbonylContact O-C 3.6Å; F59-K70 WeakPolarHBondContact O-CA 3.49Å; F59-V71 HydrophobicContact CB-CB 4.04Å; F59-V71 HydrophobicContact CB-CG2 4.3Å; F59-V71 HydrophobicContact CD2-CB 3.63Å; F59-V71 HydrophobicContact CD2-CG1 3.68Å; F59-V71 HydrophobicContact CE2-CG1 4.13Å; F59-V71 HydrophobicContact CG-CB 4.22Å; F59-V71 PolarHBondContact N-O 2.1Å; F59-V71 PolarHBondContact O-N 2.69Å; F59-V73 HydrophobicContact CE2-CG2 3.94Å
60	G	46.4	Very low	45.8	Very low	14 Å²	14	65 Å²	65	14%	0.144	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.8	176.4	0	0	0	0	0	112	Y40 R41 E69	Y40-G60 VanDerWaalsContact CA-O 3.22Å; Y40-G60 WeakPolarHBondContact CA-O 3.31Å; Y40-G60 VanDerWaalsContact CD1-C 3.5Å; R41-G60 PolarHBondContact N-O 3.44Å; R41-G60 VanDerWaalsContact N-O 3.1Å; R41-G60 PolarHBondContact O-N 3.43Å; G60-E69 WeakPolarHBondContact CA-O 3.26Å
61	S	43	Very low	45.9	Very low	16 Å²	16	59.2 Å²	59.2	11%	0.112	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.3	178.1	-175.2	0	0	0	0	111.1	Y40 S63 A68	Y40-S61 VanDerWaalsContact CE1-CB 3.5Å; S61-S63 VanDerWaalsContact C-N 3.34Å; S61-A68 PolarHBondContact N-O 2.68Å
62	T	47.8	Very low	45.8	Very low	91 Å²	91	59.6 Å²	59.6	56%	0.558	33%	0.327	S	S	*	.			trans	-95.1	30.8	174.9	58.9	0	0	0	0	113.2
63	S	42.3	Very low	46	Very low	68 Å²	68	56.7 Å²	56.7	48%	0.476	32%	0.316	S	S	.	.	S	Bend	trans	-82	120.6	175.8	-69.5	0	0	0	0	110.4	S61	S61-S63 VanDerWaalsContact C-N 3.34Å
64	A	40.1	Very low	46.1	Very low	88 Å²	88	61.5 Å²	61.5	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	25	170.3	0	0	0	0	0	118.6	Y66	A64-Y66 HydrophobicContact CB-CD2 4.44Å; A64-Y66 WeakPolarHBondContact O-CD2 3.11Å; A64-Y66 PolarHBondContact O-N 3.18Å; A64-Y66 VanDerWaalsContact O-N 3.17Å
65	G	38.8	Very low	46.2	Very low	78 Å²	78	63 Å²	63	80%	0.804	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	6.4	174	0	0	0	0	0	114.6
66	Y	34.7	Very low	46.1	Very low	182 Å²	182	66 Å²	66	71%	0.714	35%	0.35	S	S	*	.	S	Bend	trans	-106.3	131.6	171.1	-65.1	-82.3	0	0	0	108.8	A64 A68	A64-Y66 HydrophobicContact CB-CD2 4.44Å; A64-Y66 WeakPolarHBondContact O-CD2 3.11Å; A64-Y66 PolarHBondContact O-N 3.18Å; A64-Y66 VanDerWaalsContact O-N 3.17Å; Y66-A68 PolarHBondContact O-N 3.1Å
67	W	43.4	Very low	46.3	Very low	175 Å²	175	68 Å²	68	66%	0.663	36%	0.359	S	S	*	.			trans	-72.5	78.5	168.9	-71.5	81	0	0	0	108.3
68	A	39.3	Very low	46.5	Very low	38 Å²	38	71.4 Å²	71.4	31%	0.314	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.6	-177.6	0	0	0	0	0	109.7	S61 Y66	S61-A68 PolarHBondContact N-O 2.68Å; Y66-A68 PolarHBondContact O-N 3.1Å
69	E	44.5	Very low	46.4	Very low	53 Å²	53	77.5 Å²	77.5	25%	0.248	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.4	111.7	162.9	-45.7	-165.4	94.4	0	0	115.6	S13 N14 F59 G60	S13-E69 WeakPolarHBondContact CA-OE1 3.23Å; S13-E69 WeakPolarHBondContact CA-OE2 3.11Å; S13-E69 VanDerWaalsContact CB-CD 3.47Å; S13-E69 WeakPolarHBondContact CB-OE1 3.3Å; S13-E69 WeakPolarHBondContact CB-OE2 2.99Å; S13-E69 PolarHBondContact N-OE1 2.75Å; S13-E69 PolarHBondContact N-OE2 3.18Å; S13-E69 VanDerWaalsContact N-OE2 3.1Å; S13-E69 PolarHBondContact OG-OE1 3.18Å; N14-E69 PolarHBondContact N-OE2 2.89Å; N14-E69 VanDerWaalsContact N-OE2 3.15Å; N14-E69 PolarHBondContact ND2-OE2 3.4Å; F59-E69 CarbonylContact O-C 3.6Å; G60-E69 WeakPolarHBondContact CA-O 3.26Å
70	K	45.4	Very low	46.6	Very low	136 Å²	136	84.5 Å²	84.5	59%	0.591	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	105.6	172.1	-69.3	-176.5	-178.8	-175.4	0	109.1	Y58 F59	Y58-K70 HydrophobicContact CD1-CB 4.32Å; Y58-K70 HydrophobicContact CD1-CD 4.29Å; F59-K70 WeakPolarHBondContact O-CA 3.49Å
71	V	47	Very low	46.7	Very low	13 Å²	13	91.9 Å²	91.9	8%	0.079	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.8	166.6	175	0	0	0	0	106.7	Y10 A12 H57 Y58 F59 V73	Y10-V71 HydrophobicContact CD1-CB 4.36Å; Y10-V71 HydrophobicContact CD1-CG1 3.3Å; Y10-V71 HydrophobicContact CE1-CG1 3.74Å; Y10-V71 HydrophobicContact CG-CG1 4.24Å; A12-V71 HydrophobicContact CB-CG2 3.28Å; H57-V71 CarbonylContact C-O 3.5Å; H57-V71 CarbonylContact O-C 3.51Å; Y58-V71 CarbonylContact C-O 3.54Å; Y58-V71 WeakPolarHBondContact CA-O 3.34Å; F59-V71 HydrophobicContact CB-CB 4.04Å; F59-V71 HydrophobicContact CB-CG2 4.3Å; F59-V71 HydrophobicContact CD2-CB 3.63Å; F59-V71 HydrophobicContact CD2-CG1 3.68Å; F59-V71 HydrophobicContact CE2-CG1 4.13Å; F59-V71 HydrophobicContact CG-CB 4.22Å; F59-V71 PolarHBondContact N-O 2.1Å; F59-V71 PolarHBondContact O-N 2.69Å; V71-V73 HydrophobicContact CG1-CG2 4.2Å
72	I	49.9	Very low	46.7	Very low	60 Å²	60	94.2 Å²	94.2	31%	0.308	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	103.5	179.3	-50.7	180	0	0	0	109.4	Y10 A56 H57 Y58 F74	Y10-I72 WeakPolarHBondContact CE1-O 3.17Å; A56-I72 HydrophobicContact CB-CG2 3.89Å; H57-I72 CarbonylContact O-C 3.53Å; H57-I72 VanDerWaalsContact O-CA 3.23Å; H57-I72 WeakPolarHBondContact O-CA 3.43Å; Y58-I72 HydrophobicContact CD1-CD1 4.36Å; Y58-I72 HydrophobicContact CD1-CG1 3.79Å; Y58-I72 HydrophobicContact CE1-CD1 3.71Å; Y58-I72 HydrophobicContact CE1-CG1 3.61Å; Y58-I72 HydrophobicContact CE1-CG2 4.32Å; I72-F74 HydrophobicContact CB-CE2 4.26Å; I72-F74 HydrophobicContact CB-CZ 4.32Å; I72-F74 HydrophobicContact CG2-CD1 4.25Å; I72-F74 HydrophobicContact CG2-CD2 4.28Å; I72-F74 HydrophobicContact CG2-CE1 3.68Å; I72-F74 HydrophobicContact CG2-CE2 3.68Å; I72-F74 HydrophobicContact CG2-CZ 3.38Å
73	V	49.2	Very low	46.4	Very low	12 Å²	12	93.3 Å²	93.3	7%	0.073	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.8	179.2	-177.6	0	0	0	0	111.2	Y10 L28 D55 A56 H57 F59 V71	Y10-V73 HydrophobicContact CD1-CG2 4.45Å; Y10-V73 VanDerWaalsContact CE1-CA 3.48Å; Y10-V73 HydrophobicContact CE1-CB 3.88Å; Y10-V73 HydrophobicContact CE1-CG1 4.49Å; Y10-V73 HydrophobicContact CE1-CG2 3.38Å; Y10-V73 WeakPolarHBondContact OH-CA 3.49Å; Y10-V73 VanDerWaalsContact OH-CB 3.29Å; Y10-V73 WeakPolarHBondContact OH-CB 3.36Å; Y10-V73 WeakPolarHBondContact OH-CG1 2.93Å; Y10-V73 WeakPolarHBondContact OH-CG2 3.34Å; L28-V73 HydrophobicContact CD1-CB 3.95Å; L28-V73 HydrophobicContact CD1-CG1 3.3Å; L28-V73 HydrophobicContact CD1-CG2 3.86Å; L28-V73 HydrophobicContact CD2-CG1 3.97Å; L28-V73 HydrophobicContact CG-CG1 4.26Å; D55-V73 CarbonylContact C-O 3.55Å; D55-V73 CarbonylContact O-C 3.48Å; A56-V73 CarbonylContact C-O 3.38Å; A56-V73 WeakPolarHBondContact CA-O 3.35Å; H57-V73 HydrophobicContact CB-CB 3.93Å; H57-V73 HydrophobicContact CB-CG2 4.1Å; H57-V73 PolarHBondContact N-O 2.94Å; H57-V73 PolarHBondContact O-N 3.02Å; F59-V73 HydrophobicContact CE2-CG2 3.94Å; V71-V73 HydrophobicContact CG1-CG2 4.2Å
74	F	52.3	Low	46	Very low	120 Å²	120	96.7 Å²	96.7	53%	0.526	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	112.9	172.3	-57	-73.6	0	0	0	111.2	V54 D55 A56 I72	V54-F74 HydrophobicContact CG1-CB 3.78Å; V54-F74 HydrophobicContact CG1-CD1 3.43Å; V54-F74 VanDerWaalsContact CG1-CD1 3.43Å; V54-F74 HydrophobicContact CG1-CE1 4.43Å; V54-F74 HydrophobicContact CG1-CG 4.05Å; D55-F74 CarbonylContact O-C 3.6Å; D55-F74 WeakPolarHBondContact O-CA 3.35Å; A56-F74 HydrophobicContact CB-CD1 3.98Å; A56-F74 HydrophobicContact CB-CE1 4.02Å; I72-F74 HydrophobicContact CB-CE2 4.26Å; I72-F74 HydrophobicContact CB-CZ 4.32Å; I72-F74 HydrophobicContact CG2-CD1 4.25Å; I72-F74 HydrophobicContact CG2-CD2 4.28Å; I72-F74 HydrophobicContact CG2-CE1 3.68Å; I72-F74 HydrophobicContact CG2-CE2 3.68Å; I72-F74 HydrophobicContact CG2-CZ 3.38Å
75	D	53.1	Low	45.6	Very low	49 Å²	49	96 Å²	96	26%	0.262	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.2	161.5	-163.6	0	0	0	0	109.1	L28 V54 D55	L28-D75 HydrophobicContact CD2-CB 4.39Å; V54-D75 CarbonylContact C-O 3.49Å; V54-D75 WeakPolarHBondContact CA-O 3.09Å; D55-D75 HydrophobicContact CB-CB 4.23Å; D55-D75 PolarHBondContact N-O 3.24Å; D55-D75 PolarHBondContact O-N 3.24Å
76	R	49.9	Very low	45.2	Very low	110 Å²	110	96.8 Å²	96.8	42%	0.415	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	105.5	-179.8	-177.1	-176.1	174.3	176.7	-0.7	109	F52 T53 V54	F52-R76 HydrophobicContact CB-CG 3.88Å; F52-R76 HydrophobicContact CD1-CG 3.86Å; F52-R76 HydrophobicContact CG-CG 4.12Å; T53-R76 WeakPolarHBondContact O-CA 3.37Å; V54-R76 HydrophobicContact CG2-CB 4.49Å; V54-R76 HydrophobicContact CG2-CG 4.39Å
77	H	56.3	Low	44.9	Very low	43 Å²	43	95.1 Å²	95.1	20%	0.199	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	152.2	172.9	58.5	-77.9	0	0	0	112.5	T53 D55 R79 D83	T53-H77 PolarHBondContact N-O 2.66Å; T53-H77 PolarHBondContact O-N 3.11Å; T53-H77 VanDerWaalsContact O-N 3.12Å; D55-H77 IonicContact OD2-CE1 3.39Å; D55-H77 PolarHBondContact OD2-CE1 3.15Å; D55-H77 IonicContact OD2-ND1 3.96Å; H77-R79 PolarHBondContact O-N 2.99Å; H77-D83 IonicContact CD2-OD2 3.63Å; H77-D83 IonicContact NE2-OD2 3.28Å; H77-D83 PolarHBondContact NE2-OD2 3.05Å
78	P	54.7	Low	44.3	Very low	89 Å²	89	92.1 Å²	92.1	58%	0.578	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	131.1	166.4	-16.3	28.8	0	0	0	108.4	K80	P78-K80 PolarHBondContact O-N 2.91Å; P78-K80 VanDerWaalsContact O-N 3.14Å
79	R	47.1	Very low	43.7	Very low	191 Å²	191	95.3 Å²	95.3	72%	0.721	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-56.2	120.8	175	-179.1	176.8	176.8	160.3	-1.3	108.9	H77	H77-R79 PolarHBondContact O-N 2.99Å
80	K	53.3	Low	43.1	Very low	148 Å²	148	95.2 Å²	95.2	64%	0.643	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-94	140.4	170.2	-67.7	-179.6	-178	174.9	0	108.9	P78 G82 D83	P78-K80 PolarHBondContact O-N 2.91Å; P78-K80 VanDerWaalsContact O-N 3.14Å; K80-G82 PolarHBondContact O-N 3.47Å; K80-G82 VanDerWaalsContact O-N 3.14Å; K80-D83 PolarHBondContact N-OD2 3.39Å; K80-D83 PolarHBondContact O-N 3.37Å
81	D	47.7	Very low	42.2	Very low	169 Å²	169	97.9 Å²	97.9	90%	0.904	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	116.7	170	-73	-37	0	0	0	108.5
82	G	43.6	Very low	41.6	Very low	65 Å²	65	101.8 Å²	101.8	67%	0.67	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.4	-1.9	-177.8	0	0	0	0	0	116.2	K80 T84	K80-G82 PolarHBondContact O-N 3.47Å; K80-G82 VanDerWaalsContact O-N 3.14Å; G82-T84 PolarHBondContact O-N 3.35Å; G82-T84 PolarHBondContact O-OG1 2.86Å; G82-T84 VanDerWaalsContact O-OG1 3.12Å
83	D	42	Very low	40.6	Very low	73 Å²	73	105.9 Å²	105.9	39%	0.39	62%	0.624	S	S	.	*			trans	-60.8	100.6	171.3	-76.2	-16.7	0	0	0	109.8	H77 K80	H77-D83 IonicContact CD2-OD2 3.63Å; H77-D83 IonicContact NE2-OD2 3.28Å; H77-D83 PolarHBondContact NE2-OD2 3.05Å; K80-D83 PolarHBondContact N-OD2 3.39Å; K80-D83 PolarHBondContact O-N 3.37Å
84	T	33.6	Very low	40.2	Very low	138 Å²	138	110.6 Å²	110.6	85%	0.847	65%	0.652	S	S	*	*			trans	-87.8	116.9	-177.8	-49.2	0	0	0	0	108.7	G82 A86	G82-T84 PolarHBondContact O-N 3.35Å; G82-T84 PolarHBondContact O-OG1 2.86Å; G82-T84 VanDerWaalsContact O-OG1 3.12Å; T84-A86 PolarHBondContact O-N 3.26Å
85	V	32.6	Very low	39.6	Very low	75 Å²	75	110.1 Å²	110.1	46%	0.455	66%	0.659	S	S	.	*			trans	-81.4	111.4	-174	176	0	0	0	0	110.2	I46 L87	I46-V85 HydrophobicContact CD1-CB 4.46Å; I46-V85 HydrophobicContact CD1-CG1 3.89Å; I46-V85 HydrophobicContact CD1-CG2 4.12Å; V85-L87 HydrophobicContact CG1-CG 4.11Å
86	A	29.9	Very low	38.8	Very low	93 Å²	93	113.4 Å²	113.4	77%	0.769	68%	0.681	S	S	*	*			trans	-91.6	97.8	168.2	0	0	0	0	0	110	T84 S88	T84-A86 PolarHBondContact O-N 3.26Å; A86-S88 PolarHBondContact O-N 2.86Å
87	L	27.2	Very low	38.2	Very low	148 Å²	148	113.6 Å²	113.6	78%	0.775	70%	0.696	S	S	*	*			trans	-76.9	101.8	166.8	-75.2	163.7	0	0	0	108.5	V85 S89	V85-L87 HydrophobicContact CG1-CG 4.11Å; L87-S89 PolarHBondContact O-N 3.2Å
88	S	31.8	Very low	37	Very low	112 Å²	112	118.1 Å²	118.1	78%	0.783	73%	0.727	S	S	*	*			trans	-79.9	96.9	166.5	-174.5	0	0	0	0	108.6	A86 G90	A86-S88 PolarHBondContact O-N 2.86Å; S88-G90 VanDerWaalsContact C-N 3.29Å; S88-G90 PolarHBondContact O-N 3.1Å
89	S	27.4	Very low	35.9	Very low	105 Å²	105	120 Å²	120	73%	0.734	74%	0.737	S	S	*	*			trans	-74.2	87.6	166.6	67.4	0	0	0	0	108.5	L87 K91	L87-S89 PolarHBondContact O-N 3.2Å; S89-K91 PolarHBondContact O-N 3.15Å
90	G	29.9	Very low	35	Very low	51 Å²	51	114.9 Å²	114.9	53%	0.526	74%	0.738	S	S	.	*			trans	-68.2	92.9	169.6	0	0	0	0	0	110	S88 N92	S88-G90 VanDerWaalsContact C-N 3.29Å; S88-G90 PolarHBondContact O-N 3.1Å; G90-N92 PolarHBondContact O-N 2.49Å; G90-N92 VanDerWaalsContact O-N 3.15Å
91	K	27.5	Very low	33.6	Very low	192 Å²	192	112.4 Å²	112.4	84%	0.835	75%	0.746	S	S	*	*			trans	-53.3	119.9	164	-76.2	-178.2	177.1	177.8	0	108.1	S89	S89-K91 PolarHBondContact O-N 3.15Å
92	N	34.9	Very low	32.5	Very low	94 Å²	94	107.7 Å²	107.7	50%	0.503	73%	0.733	S	S	.	*			trans	-81.4	116.4	161.1	-104.7	-21.6	0	0	0	106.7	R41 G90	R41-N92 PolarHBondContact NE-OD1 2.8Å; R41-N92 PolarHBondContact NH1-OD1 2.88Å; R41-N92 PolarHBondContact NH2-OD1 3.17Å; G90-N92 PolarHBondContact O-N 2.49Å; G90-N92 VanDerWaalsContact O-N 3.15Å
93	G	29.2	Very low	31.5	Very low	146 Å²	146	111.5 Å²	111.5	100%	1.505	74%	0.738	S	S	*	*			trans	-93.2	0	151.4	0	0	0	0	0	108

Retrieved 93 of 93 residues in 90.8 ms (Link to these results)

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