A0A077ZL67_TRITR Loading...

Homeobox protein TGIF2LX

AlphaFold DB , UniProt , Accession A0A077ZL67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 aa.

						>A0A077ZL67_TRITR|A0A077ZL67
MGELTRKIISKAYAAAQKVKKKVVQPDGATTNQEVIECQTRTEEPNGEEIKDAAEIRVACSTGEEAVAVQEPPGENVTVEMEVETISGTDSSVLPKEMD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	39.7	Very low	244 Å²	244	133.7 Å²	133.7	100%	1.202	68%	0.684	S	S	*	*				0	96.5	0	-71.4	171.5	-172.1	0	0	105.9	E3	M1-E3 PolarHBondContact O-N 3.31Å
2	G	32.2	Very low	40.6	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	63%	0.628	S	S	*	*			trans	-75.3	112.4	178.9	0	0	0	0	0	108	L4	G2-L4 PolarHBondContact O-N 2.96Å
3	E	34.1	Very low	41.4	Very low	180 Å²	180	119.5 Å²	119.5	84%	0.841	60%	0.604	S	S	*	*			trans	-55.6	107.7	170.9	-77.4	172.5	73.9	0	0	107.9	M1 T5	M1-E3 PolarHBondContact O-N 3.31Å; E3-T5 PolarHBondContact O-N 3.36Å; E3-T5 PolarHBondContact O-OG1 2.85Å
4	L	35.1	Very low	42.3	Very low	142 Å²	142	111.1 Å²	111.1	74%	0.743	56%	0.563	S	S	*	*			trans	-67.7	82.4	165.8	-82.5	128	0	0	0	106.7	G2 R6	G2-L4 PolarHBondContact O-N 2.96Å; L4-R6 HydrophobicContact CD2-CG 4.47Å; L4-R6 PolarHBondContact O-N 2.81Å
5	T	34.8	Very low	43.1	Very low	135 Å²	135	105.6 Å²	105.6	83%	0.828	54%	0.541	S	S	*	.			trans	-71.1	33.1	169.8	-29	0	0	0	0	111.2	E3 K7	E3-T5 PolarHBondContact O-N 3.36Å; E3-T5 PolarHBondContact O-OG1 2.85Å; T5-K7 PolarHBondContact O-N 2.97Å
6	R	34.8	Very low	44	Very low	199 Å²	199	99 Å²	99	75%	0.751	51%	0.507	S	S	*	.			trans	-86.4	97.6	168	-71.5	-172.9	179.8	-165.9	-0.7	107.3	L4	L4-R6 HydrophobicContact CD2-CG 4.47Å; L4-R6 PolarHBondContact O-N 2.81Å
7	K	37.3	Very low	45	Very low	188 Å²	188	95.8 Å²	95.8	82%	0.817	49%	0.489	S	S	*	.			trans	167.5	79.5	147.1	-95.3	166.9	-177.2	-172.6	0	109.9	T5	T5-K7 PolarHBondContact O-N 2.97Å
8	I	45.4	Very low	45.8	Very low	108 Å²	108	92 Å²	92	55%	0.554	47%	0.469	S	S	*	.			trans	-130.2	95.6	146.3	-51	177.3	0	0	0	105.4	S10 E44	I8-S10 VanDerWaalsContact CG2-OG 3.3Å; I8-S10 WeakPolarHBondContact CG2-OG 3.3Å; I8-S10 PolarHBondContact O-N 2.98Å; I8-E44 HydrophobicContact CG2-CG 4.45Å; I8-E44 WeakPolarHBondContact CG2-OE1 3.3Å
9	I	48.3	Very low	46.8	Very low	90 Å²	90	87.5 Å²	87.5	46%	0.462	45%	0.446	S	S	.	.			trans	-75.6	74	167.6	-56.2	165.2	0	0	0	104.4	K11 P45	I9-K11 PolarHBondContact O-N 3.47Å; I9-K11 VanDerWaalsContact O-N 3.13Å; I9-P45 WeakPolarHBondContact O-CD 2.87Å
10	S	49.5	Very low	47.6	Very low	32 Å²	32	87 Å²	87	22%	0.224	44%	0.441	C	S	.	.			trans	-63.3	115.3	175.7	-51.5	0	0	0	0	107.2	I8 A12	I8-S10 VanDerWaalsContact CG2-OG 3.3Å; I8-S10 WeakPolarHBondContact CG2-OG 3.3Å; I8-S10 PolarHBondContact O-N 2.98Å; S10-A12 PolarHBondContact O-N 3.15Å
11	K	51.2	Low	48.5	Very low	80 Å²	80	85.3 Å²	85.3	35%	0.348	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.3	171	-70.5	-173	179.6	-178.6	0	107	I9 Y13 E43	I9-K11 PolarHBondContact O-N 3.47Å; I9-K11 VanDerWaalsContact O-N 3.13Å; K11-Y13 HydrophobicContact CB-CD2 4.36Å; K11-Y13 HydrophobicContact CB-CE2 3.73Å; K11-Y13 HydrophobicContact CD-CE2 4.31Å; K11-Y13 WeakPolarHBondContact CD-OH 3.19Å; K11-E43 PolarHBondContact N-O 2.9Å; K11-E43 PolarHBondContact O-N 2.97Å
12	A	50.2	Low	50.2	Low	2 Å²	2	77.2 Å²	77.2	2%	0.017	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.4	174.1	0	0	0	0	0	108.3	S10 I56 V58 S91	S10-A12 PolarHBondContact O-N 3.15Å; A12-I56 HydrophobicContact CB-CB 4.39Å; A12-I56 HydrophobicContact CB-CD1 3.9Å; A12-I56 HydrophobicContact CB-CG2 3.77Å; A12-V58 HydrophobicContact CB-CG2 3.93Å; A12-S91 PolarHBondContact O-N 2.86Å
13	Y	51.6	Low	52	Low	80 Å²	80	74 Å²	74	31%	0.314	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.6	171.7	-71.3	-80.7	0	0	0	108.3	K11 T40 R41 D90	K11-Y13 HydrophobicContact CB-CD2 4.36Å; K11-Y13 HydrophobicContact CB-CE2 3.73Å; K11-Y13 HydrophobicContact CD-CE2 4.31Å; K11-Y13 WeakPolarHBondContact CD-OH 3.19Å; Y13-T40 CarbonylContact O-C 3.48Å; Y13-T40 WeakPolarHBondContact O-CA 3.29Å; Y13-R41 PolarHBondContact N-O 2.89Å; Y13-R41 PolarHBondContact O-N 3.33Å; Y13-D90 HydrophobicContact CD1-CB 4.43Å; Y13-D90 HydrophobicContact CE1-CB 4.02Å; Y13-D90 WeakPolarHBondContact CE1-OD2 3.34Å; Y13-D90 PolarHBondContact OH-OD2 2.98Å
14	A	53.1	Low	53.6	Low	3 Å²	3	67.4 Å²	67.4	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113	166.3	0	0	0	0	0	108.8	T40 V58 G88 T89	A14-T40 HydrophobicContact CB-CG2 4.01Å; A14-V58 HydrophobicContact CB-CB 3.47Å; A14-V58 VanDerWaalsContact CB-CB 3.47Å; A14-V58 HydrophobicContact CB-CG1 3.2Å; A14-V58 HydrophobicContact CB-CG2 4.13Å; A14-G88 WeakPolarHBondContact O-CA 3.44Å; A14-T89 PolarHBondContact N-O 2.72Å; A14-T89 PolarHBondContact O-N 2.86Å
15	A	54.8	Low	55.3	Low	28 Å²	28	63.3 Å²	63.3	23%	0.231	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.7	173.9	0	0	0	0	0	108.7	Q39 T85 S87	A15-Q39 PolarHBondContact N-O 2.89Å; A15-Q39 PolarHBondContact O-N 3.07Å; A15-T85 HydrophobicContact CB-CG2 4.37Å; A15-S87 CarbonylContact C-O 3.5Å; A15-S87 VanDerWaalsContact CA-O 3.31Å; A15-S87 WeakPolarHBondContact CA-O 3.42Å
16	A	57.7	Low	57	Low	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.6	164.3	0	0	0	0	0	109.2	I36 C60 T62 I86 S87	A16-I36 HydrophobicContact CB-CG2 4.41Å; A16-C60 WeakPolarHBondContact CB-SG 3.46Å; A16-T62 HydrophobicContact CB-CG2 3.3Å; A16-I86 HydrophobicContact CB-CD1 4.2Å; A16-I86 HydrophobicContact CB-CG1 3.83Å; A16-I86 WeakPolarHBondContact O-CG1 3.34Å; A16-I86 PolarHBondContact O-N 3.04Å; A16-S87 WeakPolarHBondContact CB-OG 2.93Å; A16-S87 PolarHBondContact N-O 2.81Å; A16-S87 PolarHBondContact O-N 2.78Å
17	Q	60.3	Low	59	Low	44 Å²	44	57.7 Å²	57.7	21%	0.206	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.8	175.7	-66	-178.1	79.3	0	0	108.5	I36 E37 V83 E84 T85	Q17-I36 CarbonylContact O-C 3.56Å; Q17-I36 WeakPolarHBondContact O-CA 3.41Å; Q17-E37 PolarHBondContact N-O 2.98Å; Q17-E37 PolarHBondContact O-N 2.87Å; Q17-V83 HydrophobicContact CB-CG1 3.9Å; Q17-V83 HydrophobicContact CG-CG1 4.33Å; Q17-E84 CarbonylContact C-O 3.52Å; Q17-E84 WeakPolarHBondContact CA-O 3.43Å; Q17-T85 HydrophobicContact CG-CG2 4.47Å
18	K	60.7	Low	60.5	Low	28 Å²	28	51.2 Å²	51.2	12%	0.122	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.2	170.1	-174.8	166.9	-176.7	167.5	0	108.5	E34 I36 E64 E84 I86	K18-E34 WeakPolarHBondContact CE-OE1 3.46Å; K18-E34 IonicContact NZ-OE1 3.08Å; K18-E34 PolarHBondContact NZ-OE1 2.88Å; K18-E34 VanDerWaalsContact NZ-OE1 3.08Å; K18-I36 HydrophobicContact CB-CG1 4.4Å; K18-I36 HydrophobicContact CG-CG1 4.26Å; K18-E64 IonicContact NZ-OE1 2.78Å; K18-E64 PolarHBondContact NZ-OE1 3.2Å; K18-E84 PolarHBondContact N-O 2.99Å; K18-E84 PolarHBondContact O-N 2.86Å; K18-I86 HydrophobicContact CB-CD1 4.21Å; K18-I86 HydrophobicContact CB-CG1 4.37Å; K18-I86 HydrophobicContact CB-CG2 3.47Å; K18-I86 VanDerWaalsContact CB-CG2 3.47Å; K18-I86 HydrophobicContact CD-CG2 4.19Å; K18-I86 HydrophobicContact CG-CG2 4.48Å
19	V	63.1	Low	61.8	Low	6 Å²	6	47.8 Å²	47.8	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	106.2	177.8	-173.7	0	0	0	0	108.7	K21 V35 E37 E82 V83	V19-K21 HydrophobicContact CG1-CD 4.38Å; V19-K21 HydrophobicContact CG1-CG 3.83Å; V19-V35 WeakPolarHBondContact CA-O 3.37Å; V19-V35 PolarHBondContact N-O 3.43Å; V19-V35 PolarHBondContact O-N 3.1Å; V19-E37 HydrophobicContact CG2-CB 4.39Å; V19-E37 HydrophobicContact CG2-CG 4.12Å; V19-E37 WeakPolarHBondContact CG2-OE2 3.37Å; V19-E82 CarbonylContact C-O 3.53Å; V19-E82 WeakPolarHBondContact CA-O 3.06Å; V19-V83 HydrophobicContact CG1-CG2 4.08Å; V19-V83 HydrophobicContact CG2-CG1 4.12Å; V19-V83 HydrophobicContact CG2-CG2 4.06Å
20	K	63.6	Low	62.8	Low	78 Å²	78	46.7 Å²	46.7	34%	0.339	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.7	170.7	-55.2	-173.7	-179.8	164.4	0	108.4	Q33 E34 M81 E82	K20-Q33 CarbonylContact C-O 3.43Å; K20-Q33 VanDerWaalsContact CA-O 3.29Å; K20-Q33 WeakPolarHBondContact CA-O 3.43Å; K20-E34 VanDerWaalsContact CE-OE1 3.3Å; K20-E34 WeakPolarHBondContact CE-OE1 3.45Å; K20-E34 HydrophobicContact CG-CG 4.08Å; K20-M81 CarbonylContact O-C 3.6Å; K20-M81 WeakPolarHBondContact O-CA 3.34Å; K20-E82 HydrophobicContact CB-CB 4.37Å; K20-E82 PolarHBondContact N-O 2.79Å; K20-E82 PolarHBondContact O-N 2.72Å
21	K	67.2	Low	63.8	Low	51 Å²	51	47.4 Å²	47.4	22%	0.222	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.5	175.2	-52.3	-176.2	177.5	170.8	0	108.9	V19 N32 Q33 V79 E80 M81	V19-K21 HydrophobicContact CG1-CD 4.38Å; V19-K21 HydrophobicContact CG1-CG 3.83Å; K21-N32 CarbonylContact O-C 3.58Å; K21-Q33 HydrophobicContact CB-CB 4.2Å; K21-Q33 PolarHBondContact N-O 3.18Å; K21-Q33 WeakPolarHBondContact O-CA 2.86Å; K21-Q33 WeakPolarHBondContact O-CB 3.31Å; K21-Q33 PolarHBondContact O-N 2.75Å; K21-V79 HydrophobicContact CB-CG1 4.21Å; K21-E80 CarbonylContact C-O 3.51Å; K21-E80 WeakPolarHBondContact CA-O 3.18Å; K21-M81 HydrophobicContact CB-CG 4.48Å; K21-M81 HydrophobicContact CD-CE 4.05Å; K21-M81 HydrophobicContact CD-CG 4.41Å; K21-M81 HydrophobicContact CD-SD 4.19Å; K21-M81 HydrophobicContact CG-CG 3.98Å; K21-M81 HydrophobicContact CG-SD 4.34Å
22	K	69.9	Low	64.5	Low	75 Å²	75	49.1 Å²	49.1	33%	0.326	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.6	171.6	177.4	-178.4	167.6	-143.2	0	108.3	V24 T30 N32 V79 E80	K22-V24 HydrophobicContact CG-CG2 4.28Å; K22-T30 HydrophobicContact CD-CG2 4.05Å; K22-T30 HydrophobicContact CG-CG2 3.52Å; K22-N32 WeakPolarHBondContact CG-OD1 3.46Å; K22-V79 WeakPolarHBondContact O-CA 3.43Å; K22-E80 HydrophobicContact CB-CB 4.3Å; K22-E80 PolarHBondContact N-O 2.76Å; K22-E80 IonicContact NZ-OE2 2.86Å; K22-E80 PolarHBondContact NZ-OE2 2.71Å; K22-E80 PolarHBondContact O-N 2.8Å
23	V	69.7	Low	65.1	Low	6 Å²	6	50.2 Å²	50.2	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.5	176.7	-173.7	0	0	0	0	108.1	T30 T31 P72 V77 V79	V23-T30 CarbonylContact O-C 3.58Å; V23-T30 WeakPolarHBondContact O-CA 3.2Å; V23-T31 PolarHBondContact N-O 3.4Å; V23-T31 PolarHBondContact O-N 3.36Å; V23-P72 HydrophobicContact CG1-CG 4.07Å; V23-V77 HydrophobicContact CG1-CB 3.71Å; V23-V77 HydrophobicContact CG1-CG1 4.08Å; V23-V77 HydrophobicContact CG1-CG2 4.01Å; V23-V79 HydrophobicContact CG1-CG2 4.28Å; V23-V79 HydrophobicContact CG2-CG1 4.19Å; V23-V79 HydrophobicContact CG2-CG2 4.12Å
24	V	68.1	Low	65.3	Low	41 Å²	41	50.6 Å²	50.6	25%	0.248	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.3	173.9	-174.2	0	0	0	0	108	K22 T30 V77 T78	K22-V24 HydrophobicContact CG-CG2 4.28Å; V24-T30 HydrophobicContact CG2-CG2 4.24Å; V24-V77 WeakPolarHBondContact O-CA 3.44Å; V24-T78 PolarHBondContact N-O 3.28Å; V24-T78 PolarHBondContact O-N 3.08Å
25	Q	70.7	Confident	65.7	Low	55 Å²	55	52.2 Å²	52.2	26%	0.257	30%	0.295	S	S	.	.			trans	-80.1	154.3	176.2	-60.4	-170.6	20	0	0	110.9	D27 G28 A29 V77	Q25-D27 WeakPolarHBondContact CB-OD1 3Å; Q25-D27 PolarHBondContact O-N 2.95Å; Q25-D27 PolarHBondContact OE1-OD1 2.9Å; Q25-G28 PolarHBondContact O-N 3.13Å; Q25-A29 HydrophobicContact CB-CB 4.16Å; Q25-A29 WeakPolarHBondContact CB-O 3.15Å; Q25-A29 HydrophobicContact CG-CB 4.43Å; Q25-A29 PolarHBondContact N-O 3.01Å; Q25-V77 HydrophobicContact CG-CG1 4.27Å
26	P	68.8	Low	65.8	Low	98 Å²	98	52 Å²	52	64%	0.636	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.3	-176.8	23.6	-34	0	0	0	114.2	G28	P26-G28 PolarHBondContact O-N 3.46Å
27	D	78.8	Confident	65.8	Low	118 Å²	118	56 Å²	56	63%	0.631	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.5	173.4	66.3	-76.3	0	0	0	113.2	Q25 A29	Q25-D27 WeakPolarHBondContact CB-OD1 3Å; Q25-D27 PolarHBondContact O-N 2.95Å; Q25-D27 PolarHBondContact OE1-OD1 2.9Å; D27-A29 WeakPolarHBondContact OD2-CB 3.39Å; D27-A29 PolarHBondContact OD2-N 2.72Å
28	G	67.5	Low	65.5	Low	52 Å²	52	56.5 Å²	56.5	54%	0.536	32%	0.317	S	S	.	.	S	Bend	trans	94.8	-8.3	-176	0	0	0	0	0	113.8	Q25 P26 T30	Q25-G28 PolarHBondContact O-N 3.13Å; P26-G28 PolarHBondContact O-N 3.46Å; G28-T30 PolarHBondContact O-N 3.34Å
29	A	72.5	Confident	65.2	Low	37 Å²	37	60.7 Å²	60.7	31%	0.306	34%	0.336	S	S	.	.			trans	-58.7	129.1	171.2	0	0	0	0	0	110.6	Q25 D27	Q25-A29 HydrophobicContact CB-CB 4.16Å; Q25-A29 WeakPolarHBondContact CB-O 3.15Å; Q25-A29 HydrophobicContact CG-CB 4.43Å; Q25-A29 PolarHBondContact N-O 3.01Å; D27-A29 WeakPolarHBondContact OD2-CB 3.39Å; D27-A29 PolarHBondContact OD2-N 2.72Å
30	T	70.2	Confident	64.8	Low	66 Å²	66	64 Å²	64	41%	0.405	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.8	176.7	-57.7	0	0	0	0	108.9	K22 V23 V24 G28	K22-T30 HydrophobicContact CD-CG2 4.05Å; K22-T30 HydrophobicContact CG-CG2 3.52Å; V23-T30 CarbonylContact O-C 3.58Å; V23-T30 WeakPolarHBondContact O-CA 3.2Å; V24-T30 HydrophobicContact CG2-CG2 4.24Å; G28-T30 PolarHBondContact O-N 3.34Å
31	T	70.4	Confident	64.3	Low	47 Å²	47	65.5 Å²	65.5	29%	0.288	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.5	172.7	-51.8	0	0	0	0	108.5	V23 Q33 V69	V23-T31 PolarHBondContact N-O 3.4Å; V23-T31 PolarHBondContact O-N 3.36Å; T31-Q33 HydrophobicContact CG2-CG 4.18Å; T31-V69 HydrophobicContact CG2-CG1 4.48Å
32	N	65.6	Low	63.6	Low	117 Å²	117	63.6 Å²	63.6	63%	0.626	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.6	170.3	-58.2	-68.6	0	0	0	108.6	K21 K22	K21-N32 CarbonylContact O-C 3.58Å; K22-N32 WeakPolarHBondContact CG-OD1 3.46Å
33	Q	62.6	Low	62.3	Low	24 Å²	24	62.2 Å²	62.2	11%	0.112	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.9	178.5	-44.3	-175.2	-0.8	0	0	107.6	K20 K21 T31 V69	K20-Q33 CarbonylContact C-O 3.43Å; K20-Q33 VanDerWaalsContact CA-O 3.29Å; K20-Q33 WeakPolarHBondContact CA-O 3.43Å; K21-Q33 HydrophobicContact CB-CB 4.2Å; K21-Q33 PolarHBondContact N-O 3.18Å; K21-Q33 WeakPolarHBondContact O-CA 2.86Å; K21-Q33 WeakPolarHBondContact O-CB 3.31Å; K21-Q33 PolarHBondContact O-N 2.75Å; T31-Q33 HydrophobicContact CG2-CG 4.18Å; Q33-V69 HydrophobicContact CB-CG2 3.89Å; Q33-V69 VanDerWaalsContact CD-CB 3.5Å; Q33-V69 VanDerWaalsContact CD-CG1 3.49Å; Q33-V69 HydrophobicContact CG-CB 4.04Å; Q33-V69 HydrophobicContact CG-CG1 3.95Å; Q33-V69 HydrophobicContact CG-CG2 3.77Å
34	E	57	Low	61.4	Low	89 Å²	89	64.8 Å²	64.8	42%	0.416	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.3	174.3	-60.6	-173.9	81.3	0	0	106.9	K18 K20	K18-E34 WeakPolarHBondContact CE-OE1 3.46Å; K18-E34 IonicContact NZ-OE1 3.08Å; K18-E34 PolarHBondContact NZ-OE1 2.88Å; K18-E34 VanDerWaalsContact NZ-OE1 3.08Å; K20-E34 VanDerWaalsContact CE-OE1 3.3Å; K20-E34 WeakPolarHBondContact CE-OE1 3.45Å; K20-E34 HydrophobicContact CG-CG 4.08Å
35	V	59.6	Low	60.6	Low	37 Å²	37	66.2 Å²	66.2	22%	0.224	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.9	179.4	-176.2	0	0	0	0	107.5	V19 E37	V19-V35 WeakPolarHBondContact CA-O 3.37Å; V19-V35 PolarHBondContact N-O 3.43Å; V19-V35 PolarHBondContact O-N 3.1Å; V35-E37 HydrophobicContact CG1-CG 4.01Å
36	I	58.2	Low	59.5	Low	23 Å²	23	70 Å²	70	12%	0.118	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.3	173.6	-62.5	175.4	0	0	0	107.9	A16 Q17 K18 T62 E64 I86	A16-I36 HydrophobicContact CB-CG2 4.41Å; Q17-I36 CarbonylContact O-C 3.56Å; Q17-I36 WeakPolarHBondContact O-CA 3.41Å; K18-I36 HydrophobicContact CB-CG1 4.4Å; K18-I36 HydrophobicContact CG-CG1 4.26Å; I36-T62 HydrophobicContact CG2-CG2 3.64Å; I36-T62 WeakPolarHBondContact CG2-OG1 3.46Å; I36-E64 HydrophobicContact CD1-CB 3.17Å; I36-E64 HydrophobicContact CD1-CG 4.26Å; I36-I86 HydrophobicContact CD1-CD1 4.07Å; I36-I86 HydrophobicContact CG1-CD1 4.39Å; I36-I86 HydrophobicContact CG2-CD1 4.01Å
37	E	56.4	Low	58.5	Low	84 Å²	84	67.4 Å²	67.4	39%	0.393	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.3	178.5	-64.3	-165.9	70.6	0	0	109.1	Q17 V19 V35	Q17-E37 PolarHBondContact N-O 2.98Å; Q17-E37 PolarHBondContact O-N 2.87Å; V19-E37 HydrophobicContact CG2-CB 4.39Å; V19-E37 HydrophobicContact CG2-CG 4.12Å; V19-E37 WeakPolarHBondContact CG2-OE2 3.37Å; V35-E37 HydrophobicContact CG1-CG 4.01Å
38	C	54.3	Low	56.9	Low	55 Å²	55	68 Å²	68	37%	0.372	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	108.4	175.6	-69	0	0	0	0	109.2	C60	C38-C60 HydrophobicContact CB-CB 3.29Å; C38-C60 WeakPolarHBondContact CB-SG 3.43Å; C38-C60 WeakPolarHBondContact SG-CB 3.37Å; C38-C60 CovalentContact SG-SG 2.03Å; C38-C60 PolarHBondContact SG-SG 2.71Å
39	Q	54.4	Low	55.9	Low	115 Å²	115	69.9 Å²	69.9	54%	0.537	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.3	173.1	-68.4	-171.1	6.4	0	0	109.1	A15	A15-Q39 PolarHBondContact N-O 2.89Å; A15-Q39 PolarHBondContact O-N 3.07Å
40	T	54.7	Low	54.7	Low	75 Å²	75	70.2 Å²	70.2	46%	0.46	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.6	169.8	49.9	0	0	0	0	107.4	Y13 A14 V58	Y13-T40 CarbonylContact O-C 3.48Å; Y13-T40 WeakPolarHBondContact O-CA 3.29Å; A14-T40 HydrophobicContact CB-CG2 4.01Å; T40-V58 HydrophobicContact CG2-CB 3.98Å; T40-V58 HydrophobicContact CG2-CG2 4.4Å
41	R	53	Low	53.8	Low	111 Å²	111	76 Å²	76	42%	0.419	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.6	174.6	-168.7	-177.8	-163.5	-153.4	8.7	107.8	Y13 E43 E49	Y13-R41 PolarHBondContact N-O 2.89Å; Y13-R41 PolarHBondContact O-N 3.33Å; R41-E43 IonicContact CZ-OE2 3.15Å; R41-E43 IonicContact NE-OE2 2.71Å; R41-E43 IonicContact NH1-OE1 3.97Å; R41-E43 IonicContact NH1-OE2 2.71Å; R41-E43 PolarHBondContact NH1-OE2 3Å; R41-E49 HydrophobicContact CG-CG 4.41Å; R41-E49 IonicContact CZ-OE2 2.74Å; R41-E49 IonicContact NE-OE2 3.75Å; R41-E49 PolarHBondContact NE-OE2 2.9Å; R41-E49 IonicContact NH2-OE2 3.47Å; R41-E49 PolarHBondContact NH2-OE2 2.93Å
42	T	52.6	Low	52.4	Low	11 Å²	11	81 Å²	81	7%	0.067	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.9	172.7	-47.5	0	0	0	0	107.9	I50 A53 I56	T42-I50 HydrophobicContact CG2-CD1 3.81Å; T42-I50 PolarHBondContact O-N 2.71Å; T42-A53 HydrophobicContact CG2-CB 3.6Å; T42-A53 WeakPolarHBondContact OG1-CB 3.41Å; T42-I56 HydrophobicContact CG2-CD1 3.56Å
43	E	44.4	Very low	51.3	Low	46 Å²	46	76.8 Å²	76.8	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.5	173.9	-87.5	176.2	70.9	0	0	109.5	K11 R41	K11-E43 PolarHBondContact N-O 2.9Å; K11-E43 PolarHBondContact O-N 2.97Å; R41-E43 IonicContact CZ-OE2 3.15Å; R41-E43 IonicContact NE-OE2 2.71Å; R41-E43 IonicContact NH1-OE1 3.97Å; R41-E43 IonicContact NH1-OE2 2.71Å; R41-E43 PolarHBondContact NH1-OE2 3Å
44	E	49	Very low	50	Low	59 Å²	59	79.9 Å²	79.9	28%	0.276	43%	0.429	S	S	.	.			trans	-61.3	155	161.5	-71.7	-140.3	74.2	0	0	109.3	I8 N46 G47 E48 I50	I8-E44 HydrophobicContact CG2-CG 4.45Å; I8-E44 WeakPolarHBondContact CG2-OE1 3.3Å; E44-N46 PolarHBondContact O-N 2.79Å; E44-G47 PolarHBondContact O-N 2.8Å; E44-E48 PolarHBondContact N-O 2.72Å; E44-I50 HydrophobicContact CB-CG1 4.33Å; E44-I50 HydrophobicContact CG-CD1 3.53Å; E44-I50 HydrophobicContact CG-CG1 3.33Å
45	P	51.3	Low	49	Very low	72 Å²	72	82.4 Å²	82.4	47%	0.468	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.7	176.2	24.3	-33.4	0	0	0	113.5	I9 G47	I9-P45 WeakPolarHBondContact O-CD 2.87Å; P45-G47 VanDerWaalsContact C-N 3.32Å
46	N	47.8	Very low	48	Very low	133 Å²	133	83.2 Å²	83.2	71%	0.711	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-1	174.2	-63.9	-45.5	0	0	0	114	E44 E48	E44-N46 PolarHBondContact O-N 2.79Å; N46-E48 VanDerWaalsContact C-N 3.3Å
47	G	48.1	Very low	46.9	Very low	45 Å²	45	91.7 Å²	91.7	46%	0.464	47%	0.474	S	S	.	.	S	Bend	trans	78.8	10.9	-176.5	0	0	0	0	0	114.2	E44 P45	E44-G47 PolarHBondContact O-N 2.8Å; P45-G47 VanDerWaalsContact C-N 3.32Å
48	E	44.6	Very low	46	Very low	131 Å²	131	89.2 Å²	89.2	61%	0.612	46%	0.464	S	S	*	.			trans	-82.2	127.4	169	-77.5	-177.6	83.5	0	0	109.6	E44 N46 I50	E44-E48 PolarHBondContact N-O 2.72Å; N46-E48 VanDerWaalsContact C-N 3.3Å; E48-I50 PolarHBondContact O-N 3.24Å
49	E	47.9	Very low	45.2	Very low	91 Å²	91	90.8 Å²	90.8	43%	0.425	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-69.2	118	176.5	-179.4	-179.9	92.6	0	0	109.9	R41 K51	R41-E49 HydrophobicContact CG-CG 4.41Å; R41-E49 IonicContact CZ-OE2 2.74Å; R41-E49 IonicContact NE-OE2 3.75Å; R41-E49 PolarHBondContact NE-OE2 2.9Å; R41-E49 IonicContact NH2-OE2 3.47Å; R41-E49 PolarHBondContact NH2-OE2 2.93Å; E49-K51 PolarHBondContact O-N 2.74Å; E49-K51 VanDerWaalsContact O-N 3.07Å
50	I	47.6	Very low	44.5	Very low	44 Å²	44	86.9 Å²	86.9	23%	0.226	47%	0.466	C	S	.	.			trans	-79.2	95.7	174.6	-46.8	176.1	0	0	0	107.6	T42 E44 E48 D52 A53	T42-I50 HydrophobicContact CG2-CD1 3.81Å; T42-I50 PolarHBondContact O-N 2.71Å; E44-I50 HydrophobicContact CB-CG1 4.33Å; E44-I50 HydrophobicContact CG-CD1 3.53Å; E44-I50 HydrophobicContact CG-CG1 3.33Å; E48-I50 PolarHBondContact O-N 3.24Å; I50-D52 PolarHBondContact O-N 2.71Å; I50-A53 HydrophobicContact CB-CB 3.93Å; I50-A53 HydrophobicContact CG2-CB 3.83Å; I50-A53 PolarHBondContact O-N 2.9Å
51	K	49.7	Very low	43.7	Very low	188 Å²	188	88.8 Å²	88.8	82%	0.817	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.8	175.4	-67	-175.7	177.6	-178.7	0	113.4	E49	E49-K51 PolarHBondContact O-N 2.74Å; E49-K51 VanDerWaalsContact O-N 3.07Å
52	D	42.3	Very low	43	Very low	150 Å²	150	85.1 Å²	85.1	80%	0.802	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	22.5	-173.7	-134.9	-96.8	0	0	0	112.6	I50 A54	I50-D52 PolarHBondContact O-N 2.71Å; D52-A54 VanDerWaalsContact C-N 3.26Å; D52-A54 PolarHBondContact O-N 2.95Å
53	A	41.1	Very low	42.2	Very low	29 Å²	29	88.8 Å²	88.8	24%	0.24	51%	0.512	C	S	.	.			trans	-68.2	92.6	176.6	0	0	0	0	0	109.2	T42 I50 E55	T42-A53 HydrophobicContact CG2-CB 3.6Å; T42-A53 WeakPolarHBondContact OG1-CB 3.41Å; I50-A53 HydrophobicContact CB-CB 3.93Å; I50-A53 HydrophobicContact CG2-CB 3.83Å; I50-A53 PolarHBondContact O-N 2.9Å; A53-E55 PolarHBondContact O-N 2.81Å
54	A	37	Very low	41.7	Very low	90 Å²	90	91.4 Å²	91.4	74%	0.744	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.7	104.5	176.8	0	0	0	0	0	110.1	D52 I56	D52-A54 VanDerWaalsContact C-N 3.26Å; D52-A54 PolarHBondContact O-N 2.95Å; A54-I56 VanDerWaalsContact C-N 3.26Å; A54-I56 PolarHBondContact O-N 2.03Å
55	E	35.8	Very low	41	Very low	142 Å²	142	96.9 Å²	96.9	66%	0.664	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	26.6	60	166.2	-73.7	-178.8	63.8	0	0	113.7	A53 R57	A53-E55 PolarHBondContact O-N 2.81Å; E55-R57 HydrophobicContact CB-CG 4.28Å; E55-R57 PolarHBondContact O-N 2.76Å; E55-R57 IonicContact OE1-CZ 3.35Å; E55-R57 IonicContact OE1-NE 2.99Å; E55-R57 PolarHBondContact OE1-NE 3.22Å; E55-R57 IonicContact OE1-NH2 2.81Å; E55-R57 PolarHBondContact OE1-NH2 2.9Å
56	I	38.2	Very low	40.4	Very low	54 Å²	54	96.8 Å²	96.8	28%	0.277	56%	0.556	S	S	.	*			trans	-68.6	89.9	161.4	-52.2	-176.4	0	0	0	104.1	A12 T42 A54 V58	A12-I56 HydrophobicContact CB-CB 4.39Å; A12-I56 HydrophobicContact CB-CD1 3.9Å; A12-I56 HydrophobicContact CB-CG2 3.77Å; T42-I56 HydrophobicContact CG2-CD1 3.56Å; A54-I56 VanDerWaalsContact C-N 3.26Å; A54-I56 PolarHBondContact O-N 2.03Å; I56-V58 HydrophobicContact CB-CG2 4.44Å; I56-V58 HydrophobicContact CG2-CG2 3.61Å; I56-V58 PolarHBondContact O-N 3.4Å
57	R	35.5	Very low	39.7	Very low	201 Å²	201	94.3 Å²	94.3	76%	0.758	55%	0.545	S	S	*	.			trans	-68.2	68.6	176	-65.4	-176.6	-178.1	-179.1	1	107.8	E55 A59	E55-R57 HydrophobicContact CB-CG 4.28Å; E55-R57 PolarHBondContact O-N 2.76Å; E55-R57 IonicContact OE1-CZ 3.35Å; E55-R57 IonicContact OE1-NE 2.99Å; E55-R57 PolarHBondContact OE1-NE 3.22Å; E55-R57 IonicContact OE1-NH2 2.81Å; E55-R57 PolarHBondContact OE1-NH2 2.9Å; R57-A59 PolarHBondContact O-N 3.09Å
58	V	37.1	Very low	39.1	Very low	31 Å²	31	97 Å²	97	19%	0.188	56%	0.563	C	S	.	*			trans	-71.5	98.4	164.2	-165.3	0	0	0	0	104.3	A12 A14 T40 I56 C60	A12-V58 HydrophobicContact CB-CG2 3.93Å; A14-V58 HydrophobicContact CB-CB 3.47Å; A14-V58 VanDerWaalsContact CB-CB 3.47Å; A14-V58 HydrophobicContact CB-CG1 3.2Å; A14-V58 HydrophobicContact CB-CG2 4.13Å; T40-V58 HydrophobicContact CG2-CB 3.98Å; T40-V58 HydrophobicContact CG2-CG2 4.4Å; I56-V58 HydrophobicContact CB-CG2 4.44Å; I56-V58 HydrophobicContact CG2-CG2 3.61Å; I56-V58 PolarHBondContact O-N 3.4Å; V58-C60 VanDerWaalsContact C-N 3.33Å; V58-C60 PolarHBondContact O-N 2.78Å
59	A	38.1	Very low	38.8	Very low	88 Å²	88	93.3 Å²	93.3	73%	0.727	55%	0.549	S	S	*	.			trans	-61.4	102.3	176.3	0	0	0	0	0	107.2	R57 S61	R57-A59 PolarHBondContact O-N 3.09Å; A59-S61 VanDerWaalsContact C-N 3.29Å; A59-S61 PolarHBondContact O-N 2.7Å
60	C	39.5	Very low	38.2	Very low	34 Å²	34	97.8 Å²	97.8	23%	0.23	57%	0.57	C	S	.	*			trans	-72	92.2	171.7	179.9	0	0	0	0	106.5	A16 C38 V58 T62	A16-C60 WeakPolarHBondContact CB-SG 3.46Å; C38-C60 HydrophobicContact CB-CB 3.29Å; C38-C60 WeakPolarHBondContact CB-SG 3.43Å; C38-C60 WeakPolarHBondContact SG-CB 3.37Å; C38-C60 CovalentContact SG-SG 2.03Å; C38-C60 PolarHBondContact SG-SG 2.71Å; V58-C60 VanDerWaalsContact C-N 3.33Å; V58-C60 PolarHBondContact O-N 2.78Å; C60-T62 PolarHBondContact O-N 3.22Å
61	S	37.2	Very low	38	Very low	114 Å²	114	104.2 Å²	104.2	80%	0.797	60%	0.599	S	S	*	*			trans	-77.3	75.8	178.8	57.9	0	0	0	0	108.9	A59	A59-S61 VanDerWaalsContact C-N 3.29Å; A59-S61 PolarHBondContact O-N 2.7Å
62	T	38.9	Very low	37.6	Very low	34 Å²	34	97.2 Å²	97.2	21%	0.209	57%	0.573	C	S	.	*			trans	-91.5	106.5	165.7	50.6	0	0	0	0	107.5	A16 I36 C60 E64 I86	A16-T62 HydrophobicContact CB-CG2 3.3Å; I36-T62 HydrophobicContact CG2-CG2 3.64Å; I36-T62 WeakPolarHBondContact CG2-OG1 3.46Å; C60-T62 PolarHBondContact O-N 3.22Å; T62-E64 PolarHBondContact O-N 2.91Å; T62-I86 HydrophobicContact CG2-CD1 3.69Å; T62-I86 HydrophobicContact CG2-CG1 4.45Å
63	G	35.3	Very low	37.6	Very low	88 Å²	88	96.4 Å²	96.4	91%	0.907	58%	0.576	S	S	*	*			trans	-69.9	23.4	178.8	0	0	0	0	0	114.3
64	E	33.9	Very low	37.8	Very low	101 Å²	101	97.8 Å²	97.8	47%	0.472	59%	0.593	S	S	.	*	S	Bend	trans	-115.9	122.4	-177.4	-91.4	165.8	82.6	0	0	109.2	K18 I36 T62 A66	K18-E64 IonicContact NZ-OE1 2.78Å; K18-E64 PolarHBondContact NZ-OE1 3.2Å; I36-E64 HydrophobicContact CD1-CB 3.17Å; I36-E64 HydrophobicContact CD1-CG 4.26Å; T62-E64 PolarHBondContact O-N 2.91Å; E64-A66 PolarHBondContact O-N 2.97Å
65	E	34.5	Very low	38.2	Very low	175 Å²	175	101.6 Å²	101.6	82%	0.818	60%	0.595	S	S	*	*			trans	-55.9	113.5	-176.9	-164.5	-176.4	108.6	0	0	110.3	V67	E65-V67 PolarHBondContact O-N 3.46Å
66	A	38.7	Very low	39.1	Very low	70 Å²	70	101.2 Å²	101.2	58%	0.579	60%	0.598	S	S	*	*			trans	-67.3	100.7	173.3	0	0	0	0	0	108.7	E64 A68	E64-A66 PolarHBondContact O-N 2.97Å; A66-A68 PolarHBondContact O-N 2.78Å; A66-A68 VanDerWaalsContact O-N 3.09Å
67	V	33.5	Very low	39.9	Very low	81 Å²	81	101.3 Å²	101.3	49%	0.491	60%	0.601	S	S	.	*			trans	-74.1	103.3	176.6	-167.2	0	0	0	0	107.6	E65 V69	E65-V67 PolarHBondContact O-N 3.46Å; V67-V69 HydrophobicContact CG1-CG2 4.33Å; V67-V69 WeakPolarHBondContact O-CG2 3.37Å; V67-V69 PolarHBondContact O-N 2.83Å
68	A	34.1	Very low	41	Very low	101 Å²	101	96.2 Å²	96.2	84%	0.835	59%	0.592	S	S	*	*			trans	-67.9	110.8	173.4	0	0	0	0	0	109.1	A66	A66-A68 PolarHBondContact O-N 2.78Å; A66-A68 VanDerWaalsContact O-N 3.09Å
69	V	38.8	Very low	42	Very low	54 Å²	54	97.6 Å²	97.6	33%	0.327	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-100.7	125	-179.2	-169.4	0	0	0	0	110.1	T31 Q33 V67 E71	T31-V69 HydrophobicContact CG2-CG1 4.48Å; Q33-V69 HydrophobicContact CB-CG2 3.89Å; Q33-V69 VanDerWaalsContact CD-CB 3.5Å; Q33-V69 VanDerWaalsContact CD-CG1 3.49Å; Q33-V69 HydrophobicContact CG-CB 4.04Å; Q33-V69 HydrophobicContact CG-CG1 3.95Å; Q33-V69 HydrophobicContact CG-CG2 3.77Å; V67-V69 HydrophobicContact CG1-CG2 4.33Å; V67-V69 WeakPolarHBondContact O-CG2 3.37Å; V67-V69 PolarHBondContact O-N 2.83Å; V69-E71 PolarHBondContact O-N 2.74Å
70	Q	35.1	Very low	42.9	Very low	184 Å²	184	98.3 Å²	98.3	86%	0.86	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-60.2	128.9	170.1	-90.1	171.8	78.7	0	0	109.6
71	E	42.9	Very low	43.5	Very low	180 Å²	180	102.1 Å²	102.1	84%	0.841	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-53.4	124.6	169.6	-72.3	-173.9	86.2	0	0	109.2	V69	V69-E71 PolarHBondContact O-N 2.74Å
72	P	41.5	Very low	44.2	Very low	40 Å²	40	103.4 Å²	103.4	26%	0.26	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-63.8	129.5	171.9	24	-29.1	0	0	0	108.4	V23 G74 V77	V23-P72 HydrophobicContact CG1-CG 4.07Å; P72-G74 PolarHBondContact O-N 2.79Å; P72-V77 HydrophobicContact CG-CG1 4.36Å
73	P	41.8	Very low	45	Very low	133 Å²	133	105.8 Å²	105.8	86%	0.864	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-73.1	118.5	-178.7	28.8	-32.4	0	0	0	109.4
74	G	46.2	Very low	45.8	Very low	59 Å²	59	107 Å²	107	61%	0.608	59%	0.594	S	S	*	*	S	Bend	trans	109.8	127.7	156.9	0	0	0	0	0	116.3	P72	P72-G74 PolarHBondContact O-N 2.79Å
75	E	45.9	Very low	47.1	Very low	169 Å²	169	106.4 Å²	106.4	79%	0.79	60%	0.598	S	S	*	*	S	Bend	trans	33.7	112.3	151.7	-96.3	171.2	73.1	0	0	119.3
76	N	54.3	Low	48.3	Very low	135 Å²	135	100.8 Å²	100.8	72%	0.722	57%	0.573	S	S	*	*			trans	67.1	55.8	163.1	-53.4	-54.9	0	0	0	116
77	V	55.5	Low	48.9	Very low	55 Å²	55	99.9 Å²	99.9	33%	0.333	56%	0.562	S	S	.	*			trans	-91.4	135.6	163.5	-62.3	0	0	0	0	110.7	V23 V24 Q25 P72 V79	V23-V77 HydrophobicContact CG1-CB 3.71Å; V23-V77 HydrophobicContact CG1-CG1 4.08Å; V23-V77 HydrophobicContact CG1-CG2 4.01Å; V24-V77 WeakPolarHBondContact O-CA 3.44Å; Q25-V77 HydrophobicContact CG-CG1 4.27Å; P72-V77 HydrophobicContact CG-CG1 4.36Å; V77-V79 HydrophobicContact CG2-CG2 4.16Å
78	T	57.8	Low	49.8	Very low	95 Å²	95	98.9 Å²	98.9	58%	0.583	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.7	120.8	170.2	-58.9	0	0	0	0	108	V24	V24-T78 PolarHBondContact N-O 3.28Å; V24-T78 PolarHBondContact O-N 3.08Å
79	V	59.4	Low	50.4	Low	60 Å²	60	98 Å²	98	36%	0.364	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	107.7	178.9	-172	0	0	0	0	109.1	K21 K22 V23 V77 M81	K21-V79 HydrophobicContact CB-CG1 4.21Å; K22-V79 WeakPolarHBondContact O-CA 3.43Å; V23-V79 HydrophobicContact CG1-CG2 4.28Å; V23-V79 HydrophobicContact CG2-CG1 4.19Å; V23-V79 HydrophobicContact CG2-CG2 4.12Å; V77-V79 HydrophobicContact CG2-CG2 4.16Å; V79-M81 HydrophobicContact CB-CE 4.4Å; V79-M81 HydrophobicContact CG1-CE 3.62Å; V79-M81 HydrophobicContact CG1-CG 3.84Å
80	E	55.3	Low	50.7	Low	102 Å²	102	99.1 Å²	99.1	48%	0.477	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	120.5	169.2	-54.1	-169.9	94.3	0	0	108	K21 K22	K21-E80 CarbonylContact C-O 3.51Å; K21-E80 WeakPolarHBondContact CA-O 3.18Å; K22-E80 HydrophobicContact CB-CB 4.3Å; K22-E80 PolarHBondContact N-O 2.76Å; K22-E80 IonicContact NZ-OE2 2.86Å; K22-E80 PolarHBondContact NZ-OE2 2.71Å; K22-E80 PolarHBondContact O-N 2.8Å
81	M	53.5	Low	50.9	Low	114 Å²	114	93.5 Å²	93.5	56%	0.562	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.9	178.7	-58.2	-168.6	-173.4	0	0	110.2	K20 K21 V79	K20-M81 CarbonylContact O-C 3.6Å; K20-M81 WeakPolarHBondContact O-CA 3.34Å; K21-M81 HydrophobicContact CB-CG 4.48Å; K21-M81 HydrophobicContact CD-CE 4.05Å; K21-M81 HydrophobicContact CD-CG 4.41Å; K21-M81 HydrophobicContact CD-SD 4.19Å; K21-M81 HydrophobicContact CG-CG 3.98Å; K21-M81 HydrophobicContact CG-SD 4.34Å; V79-M81 HydrophobicContact CB-CE 4.4Å; V79-M81 HydrophobicContact CG1-CE 3.62Å; V79-M81 HydrophobicContact CG1-CG 3.84Å
82	E	52	Low	50.8	Low	142 Å²	142	87.5 Å²	87.5	66%	0.664	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.2	171.1	-63.7	-169.7	91.4	0	0	108.9	V19 K20	V19-E82 CarbonylContact C-O 3.53Å; V19-E82 WeakPolarHBondContact CA-O 3.06Å; K20-E82 HydrophobicContact CB-CB 4.37Å; K20-E82 PolarHBondContact N-O 2.79Å; K20-E82 PolarHBondContact O-N 2.72Å
83	V	56	Low	50.8	Low	84 Å²	84	89.8 Å²	89.8	51%	0.509	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118	-179.1	-176.7	0	0	0	0	108.7	Q17 V19	Q17-V83 HydrophobicContact CB-CG1 3.9Å; Q17-V83 HydrophobicContact CG-CG1 4.33Å; V19-V83 HydrophobicContact CG1-CG2 4.08Å; V19-V83 HydrophobicContact CG2-CG1 4.12Å; V19-V83 HydrophobicContact CG2-CG2 4.06Å
84	E	52.1	Low	50.6	Low	112 Å²	112	90.4 Å²	90.4	52%	0.523	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.5	178.6	-172.6	173.7	81.8	0	0	109.5	Q17 K18 I86	Q17-E84 CarbonylContact C-O 3.52Å; Q17-E84 WeakPolarHBondContact CA-O 3.43Å; K18-E84 PolarHBondContact N-O 2.99Å; K18-E84 PolarHBondContact O-N 2.86Å; E84-I86 HydrophobicContact CG-CG2 4.48Å; E84-I86 PolarHBondContact O-N 2.83Å
85	T	61.1	Low	50.2	Low	89 Å²	89	92.5 Å²	92.5	55%	0.546	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	109.8	174.7	-56.1	0	0	0	0	109	A15 Q17	A15-T85 HydrophobicContact CB-CG2 4.37Å; Q17-T85 HydrophobicContact CG-CG2 4.47Å
86	I	58.3	Low	49.9	Very low	58 Å²	58	93.6 Å²	93.6	30%	0.297	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-27.3	-173.3	56.2	168.4	0	0	0	113	A16 K18 I36 T62 E84	A16-I86 HydrophobicContact CB-CD1 4.2Å; A16-I86 HydrophobicContact CB-CG1 3.83Å; A16-I86 WeakPolarHBondContact O-CG1 3.34Å; A16-I86 PolarHBondContact O-N 3.04Å; K18-I86 HydrophobicContact CB-CD1 4.21Å; K18-I86 HydrophobicContact CB-CG1 4.37Å; K18-I86 HydrophobicContact CB-CG2 3.47Å; K18-I86 VanDerWaalsContact CB-CG2 3.47Å; K18-I86 HydrophobicContact CD-CG2 4.19Å; K18-I86 HydrophobicContact CG-CG2 4.48Å; I36-I86 HydrophobicContact CD1-CD1 4.07Å; I36-I86 HydrophobicContact CG1-CD1 4.39Å; I36-I86 HydrophobicContact CG2-CD1 4.01Å; T62-I86 HydrophobicContact CG2-CD1 3.69Å; T62-I86 HydrophobicContact CG2-CG1 4.45Å; E84-I86 HydrophobicContact CG-CG2 4.48Å; E84-I86 PolarHBondContact O-N 2.83Å
87	S	52.8	Low	49.2	Very low	51 Å²	51	95.7 Å²	95.7	36%	0.357	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	122.3	178.9	46.3	0	0	0	0	110.8	A15 A16	A15-S87 CarbonylContact C-O 3.5Å; A15-S87 VanDerWaalsContact CA-O 3.31Å; A15-S87 WeakPolarHBondContact CA-O 3.42Å; A16-S87 WeakPolarHBondContact CB-OG 2.93Å; A16-S87 PolarHBondContact N-O 2.81Å; A16-S87 PolarHBondContact O-N 2.78Å
88	G	51.3	Low	48.5	Very low	59 Å²	59	101 Å²	101	61%	0.608	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.1	120.7	171	0	0	0	0	0	108.7	A14	A14-G88 WeakPolarHBondContact O-CA 3.44Å
89	T	46	Very low	47.7	Very low	83 Å²	83	107.4 Å²	107.4	51%	0.509	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.8	113.2	168.6	38.8	0	0	0	0	108.6	A14 S91	A14-T89 PolarHBondContact N-O 2.72Å; A14-T89 PolarHBondContact O-N 2.86Å; T89-S91 PolarHBondContact O-N 2.85Å
90	D	45.3	Very low	47.1	Very low	77 Å²	77	109.8 Å²	109.8	41%	0.412	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	101.4	161.6	-178.3	-71.8	0	0	0	105.7	Y13 S92	Y13-D90 HydrophobicContact CD1-CB 4.43Å; Y13-D90 HydrophobicContact CE1-CB 4.02Å; Y13-D90 WeakPolarHBondContact CE1-OD2 3.34Å; Y13-D90 PolarHBondContact OH-OD2 2.98Å; D90-S92 PolarHBondContact OD1-N 3.43Å; D90-S92 PolarHBondContact OD1-OG 2.8Å
91	S	40.8	Very low	46.6	Very low	67 Å²	67	110.2 Å²	110.2	47%	0.469	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.9	93.1	168.7	-147.7	0	0	0	0	107.3	A12 T89 V93	A12-S91 PolarHBondContact O-N 2.86Å; T89-S91 PolarHBondContact O-N 2.85Å; S91-V93 PolarHBondContact O-N 3.32Å; S91-V93 VanDerWaalsContact O-N 3.1Å
92	S	40.2	Very low	46.2	Very low	53 Å²	53	109.9 Å²	109.9	37%	0.371	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.8	106.3	164.9	-69.8	0	0	0	0	107.8	D90 L94	D90-S92 PolarHBondContact OD1-N 3.43Å; D90-S92 PolarHBondContact OD1-OG 2.8Å; S92-L94 VanDerWaalsContact C-N 3.3Å; S92-L94 PolarHBondContact O-N 3.25Å
93	V	41.8	Very low	45.9	Very low	89 Å²	89	108.1 Å²	108.1	54%	0.539	61%	0.605	S	S	.	*			trans	-67.1	94.3	172.5	-178.6	0	0	0	0	107.2	S91	S91-V93 PolarHBondContact O-N 3.32Å; S91-V93 VanDerWaalsContact O-N 3.1Å
94	L	36.9	Very low	45.3	Very low	146 Å²	146	109.6 Å²	109.6	76%	0.764	61%	0.611	S	S	*	*			trans	-65.3	129	170.2	-69.8	171.9	0	0	0	107.5	S92 K96	S92-L94 VanDerWaalsContact C-N 3.3Å; S92-L94 PolarHBondContact O-N 3.25Å; L94-K96 PolarHBondContact O-N 2.97Å; L94-K96 VanDerWaalsContact O-N 3.15Å
95	P	37.3	Very low	44.8	Very low	103 Å²	103	109.4 Å²	109.4	67%	0.669	62%	0.617	S	S	*	*			trans	-57.8	126.1	177.1	24.1	-31.8	0	0	0	108.1	E97	P95-E97 PolarHBondContact O-N 3.37Å
96	K	40.5	Very low	43.7	Very low	191 Å²	191	110.9 Å²	110.9	83%	0.83	62%	0.622	S	S	*	*			trans	-59	109.1	172.8	-164.9	174.8	-176.5	174.6	0	106.9	L94 M98	L94-K96 PolarHBondContact O-N 2.97Å; L94-K96 VanDerWaalsContact O-N 3.15Å; K96-M98 PolarHBondContact O-N 3.07Å
97	E	39	Very low	42.5	Very low	180 Å²	180	114.9 Å²	114.9	84%	0.841	65%	0.647	S	S	*	*			trans	-57.7	108.6	167.2	-73.2	-172.1	93.5	0	0	106.4	P95	P95-E97 PolarHBondContact O-N 3.37Å
98	M	40.7	Very low	41.7	Very low	167 Å²	167	120.3 Å²	120.3	82%	0.823	67%	0.671	S	S	*	*			trans	-91.8	104.6	158.8	-87.8	176.4	132.5	0	0	104.9	K96	K96-M98 PolarHBondContact O-N 3.07Å
99	D	40.3	Very low	40.8	Very low	228 Å²	228	125.8 Å²	125.8	100%	1.219	68%	0.677	S	S	*	*			trans	-51.5	0	158.4	-83.2	-94.6	0	0	0	111.5

Retrieved 99 of 99 residues in 86.3 ms (Link to these results)

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