G4M233_SCHMA Loading...

Smp_205710

AlphaFold DB , UniProt , Accession G4M233, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 97 aa.

						>G4M233_SCHMA|G4M233
MQMCASFKVIRTTIQLQYYDIDVTRLEIRDDGMTQIYGEDQHGCMDDLIPVNSNSEFHVSHHRSICQLPFSNMTVWSQLELSCQFNLHTKSCLSIEL
					

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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	29.3	Very low	28.9	Very low	242 Å²	242	147.3 Å²	147.3	100%	1.192	76%	0.757	S	S	*	*				0	110.1	0	-85.7	173.2	157.5	0	0	107.4
2	Q	24.1	Very low	30	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	70%	0.7	S	S	*	*			trans	-77.5	123.2	173.6	-87.5	170	-23.8	0	0	108.4
3	M	21.7	Very low	30.8	Very low	187 Å²	187	127.7 Å²	127.7	92%	0.921	66%	0.66	S	S	*	*			trans	-97.4	109.7	168.2	-69.1	-162.6	-77.7	0	0	107.3
4	C	22.4	Very low	31.7	Very low	115 Å²	115	119 Å²	119	78%	0.777	62%	0.615	S	S	*	*			trans	-82	117.9	173.6	-58.6	0	0	0	0	108.3	S6	C4-S6 PolarHBondContact O-N 2.74Å
5	A	25.6	Very low	32.2	Very low	79 Å²	79	119.1 Å²	119.1	65%	0.653	61%	0.611	S	S	*	*			trans	-84.6	107.4	166	0	0	0	0	0	108
6	S	25.5	Very low	32.6	Very low	122 Å²	122	114.1 Å²	114.1	85%	0.853	59%	0.586	S	S	*	*			trans	-88.8	119	168.2	47.9	0	0	0	0	108.6	C4	C4-S6 PolarHBondContact O-N 2.74Å
7	F	31.3	Very low	32.9	Very low	122 Å²	122	117.6 Å²	117.6	54%	0.535	60%	0.599	S	S	.	*			trans	-107.9	128.8	167.4	55.9	-86.5	0	0	0	108.5	V9 L26	F7-V9 HydrophobicContact CD2-CG2 3.65Å; F7-V9 HydrophobicContact CE2-CG2 3.78Å; F7-V9 PolarHBondContact O-N 3.29Å; F7-L26 HydrophobicContact CE2-CD2 4.44Å; F7-L26 HydrophobicContact CZ-CD2 4.11Å
8	K	29	Very low	33.1	Very low	182 Å²	182	121.5 Å²	121.5	79%	0.791	61%	0.607	S	S	*	*			trans	-90.9	101	174.6	-173.4	-179.7	-178.9	-179.5	0	107.8	I10	K8-I10 HydrophobicContact CD-CG1 4.17Å; K8-I10 HydrophobicContact CG-CG1 4.05Å; K8-I10 PolarHBondContact O-N 3.44Å
9	V	35.9	Very low	33.4	Very low	43 Å²	43	120.9 Å²	120.9	26%	0.261	60%	0.597	S	S	.	*			trans	-71	108.5	166.1	-175.8	0	0	0	0	106.6	F7 T12	F7-V9 HydrophobicContact CD2-CG2 3.65Å; F7-V9 HydrophobicContact CE2-CG2 3.78Å; F7-V9 PolarHBondContact O-N 3.29Å; V9-T12 HydrophobicContact CG1-CG2 3.49Å; V9-T12 VanDerWaalsContact CG1-CG2 3.49Å
10	I	34.1	Very low	34.1	Very low	138 Å²	138	119.4 Å²	119.4	71%	0.708	59%	0.592	S	S	*	*			trans	-77.7	-26.3	-172.8	-67.4	176.6	0	0	0	111.6	K8	K8-I10 HydrophobicContact CD-CG1 4.17Å; K8-I10 HydrophobicContact CG-CG1 4.05Å; K8-I10 PolarHBondContact O-N 3.44Å
11	R	39.6	Very low	34.8	Very low	206 Å²	206	114 Å²	114	78%	0.777	57%	0.565	S	S	*	*	S	Bend	trans	178.4	124.3	168.9	-104.1	159.9	-176	-173.5	-0.8	107.2
12	T	42	Very low	35.9	Very low	11 Å²	11	107 Å²	107	7%	0.067	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.8	171.5	-160.9	0	0	0	0	110.7	V9 I14 V23 V59	V9-T12 HydrophobicContact CG1-CG2 3.49Å; V9-T12 VanDerWaalsContact CG1-CG2 3.49Å; T12-I14 HydrophobicContact CG2-CG1 4.03Å; T12-V23 HydrophobicContact CG2-CB 4.01Å; T12-V23 PolarHBondContact N-O 2.89Å; T12-V23 WeakPolarHBondContact O-CA 3.37Å; T12-V23 VanDerWaalsContact O-CB 3.29Å; T12-V23 WeakPolarHBondContact O-CB 3.36Å; T12-V23 PolarHBondContact O-N 2.8Å; T12-V59 HydrophobicContact CG2-CG1 3.89Å; T12-V59 WeakPolarHBondContact OG1-CG1 3.26Å
13	T	40.3	Very low	37.2	Very low	29 Å²	29	98.3 Å²	98.3	18%	0.178	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.7	168.3	-46.8	0	0	0	0	106.9	D20 I21 D22	T13-D20 HydrophobicContact CG2-CB 4.24Å; T13-I21 VanDerWaalsContact CA-O 3.31Å; T13-I21 WeakPolarHBondContact CA-O 3.48Å; T13-D22 PolarHBondContact OG1-OD1 3.31Å
14	I	43.4	Very low	38.7	Very low	6 Å²	6	93.5 Å²	93.5	3%	0.031	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.9	169.4	-62.6	-175.4	0	0	0	106.4	T12 L16 I21 V23 I36 F57	T12-I14 HydrophobicContact CG2-CG1 4.03Å; I14-L16 HydrophobicContact CG2-CD2 3.75Å; I14-L16 HydrophobicContact CG2-CG 4.06Å; I14-L16 PolarHBondContact O-N 2.96Å; I14-I21 PolarHBondContact N-O 3.38Å; I14-I21 PolarHBondContact O-N 3.35Å; I14-V23 HydrophobicContact CB-CG2 3.92Å; I14-V23 HydrophobicContact CD1-CG2 3.75Å; I14-V23 HydrophobicContact CG1-CG2 3.6Å; I14-I36 HydrophobicContact CD1-CD1 4.05Å; I14-F57 HydrophobicContact CD1-CD1 4.47Å; I14-F57 HydrophobicContact CG2-CD1 4.45Å
15	Q	38.8	Very low	39.9	Very low	121 Å²	121	94.8 Å²	94.8	57%	0.565	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	102	170.4	-56.9	-157.9	-64.9	0	0	108	D20	Q15-D20 VanDerWaalsContact CG-OD1 3.3Å; Q15-D20 WeakPolarHBondContact CG-OD1 3.05Å; Q15-D20 PolarHBondContact NE2-OD1 3.31Å
16	L	38.6	Very low	41	Very low	39 Å²	39	93.2 Å²	93.2	20%	0.204	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	149.4	164.2	-60.5	178.4	0	0	0	106.9	I14 Y18 Y19 I21 I49	I14-L16 HydrophobicContact CG2-CD2 3.75Å; I14-L16 HydrophobicContact CG2-CG 4.06Å; I14-L16 PolarHBondContact O-N 2.96Å; L16-Y18 PolarHBondContact O-N 3.4Å; L16-Y19 PolarHBondContact N-O 2.83Å; L16-Y19 PolarHBondContact O-N 3.25Å; L16-Y19 VanDerWaalsContact O-O 3.11Å; L16-I21 HydrophobicContact CD1-CD1 3.63Å; L16-I49 HydrophobicContact CD1-CB 4.48Å; L16-I49 HydrophobicContact CD1-CD1 3.1Å; L16-I49 HydrophobicContact CD1-CG1 4.32Å; L16-I49 HydrophobicContact CD1-CG2 4.37Å
17	Q	37.1	Very low	42.2	Very low	174 Å²	174	90.4 Å²	90.4	81%	0.813	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-18	-171.7	-75.3	179.9	-19.1	0	0	115.3
18	Y	37.7	Very low	43.1	Very low	187 Å²	187	88.7 Å²	88.7	73%	0.733	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-8.7	-177.6	-54.6	-72	0	0	0	114.6	L16	L16-Y18 PolarHBondContact O-N 3.4Å
19	Y	37.7	Very low	43.9	Very low	110 Å²	110	85.8 Å²	85.8	43%	0.431	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	131.5	-172.4	-56	-80.6	0	0	0	111.8	L16 M45	L16-Y19 PolarHBondContact N-O 2.83Å; L16-Y19 PolarHBondContact O-N 3.25Å; L16-Y19 VanDerWaalsContact O-O 3.11Å; Y19-M45 HydrophobicContact CD2-CE 4.33Å; Y19-M45 HydrophobicContact CE2-CE 4.35Å
20	D	48.5	Very low	44.5	Very low	91 Å²	91	91.6 Å²	91.6	49%	0.487	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.4	160.1	-68.3	-40.5	0	0	0	107.4	T13 Q15	T13-D20 HydrophobicContact CG2-CB 4.24Å; Q15-D20 VanDerWaalsContact CG-OD1 3.3Å; Q15-D20 WeakPolarHBondContact CG-OD1 3.05Å; Q15-D20 PolarHBondContact NE2-OD1 3.31Å
21	I	47.4	Very low	45.3	Very low	6 Å²	6	89.7 Å²	89.7	3%	0.031	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.3	179.8	-57.1	179.8	0	0	0	108.5	T13 I14 L16 V23 M45 I49	T13-I21 VanDerWaalsContact CA-O 3.31Å; T13-I21 WeakPolarHBondContact CA-O 3.48Å; I14-I21 PolarHBondContact N-O 3.38Å; I14-I21 PolarHBondContact O-N 3.35Å; L16-I21 HydrophobicContact CD1-CD1 3.63Å; I21-V23 HydrophobicContact CG2-CG2 4.3Å; I21-V23 PolarHBondContact O-N 3.06Å; I21-V23 VanDerWaalsContact O-N 3.16Å; I21-M45 HydrophobicContact CD1-SD 3.6Å; I21-M45 HydrophobicContact CG1-SD 4.28Å; I21-I49 HydrophobicContact CD1-CD1 3.91Å
22	D	53.7	Low	45.5	Very low	95 Å²	95	81.7 Å²	81.7	51%	0.508	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	99.2	168.2	-82.2	-18.4	0	0	0	108.9	T13 T24 G38 E39	T13-D22 PolarHBondContact OG1-OD1 3.31Å; D22-T24 PolarHBondContact O-N 3.48Å; D22-G38 CarbonylContact O-C 3.55Å; D22-G38 WeakPolarHBondContact O-CA 3.5Å; D22-E39 PolarHBondContact N-O 2.04Å; D22-E39 PolarHBondContact O-N 3.5Å
23	V	51.9	Low	45.7	Very low	2 Å²	2	84 Å²	84	1%	0.012	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.1	-177.7	-179	0	0	0	0	109.7	T12 I14 I21 I36 Y37	T12-V23 HydrophobicContact CG2-CB 4.01Å; T12-V23 PolarHBondContact N-O 2.89Å; T12-V23 WeakPolarHBondContact O-CA 3.37Å; T12-V23 VanDerWaalsContact O-CB 3.29Å; T12-V23 WeakPolarHBondContact O-CB 3.36Å; T12-V23 PolarHBondContact O-N 2.8Å; I14-V23 HydrophobicContact CB-CG2 3.92Å; I14-V23 HydrophobicContact CD1-CG2 3.75Å; I14-V23 HydrophobicContact CG1-CG2 3.6Å; I21-V23 HydrophobicContact CG2-CG2 4.3Å; I21-V23 PolarHBondContact O-N 3.06Å; I21-V23 VanDerWaalsContact O-N 3.16Å; V23-I36 HydrophobicContact CB-CG2 4.19Å; V23-I36 HydrophobicContact CG1-CG2 3.74Å; V23-I36 HydrophobicContact CG2-CG2 3.42Å; V23-I36 VanDerWaalsContact CG2-CG2 3.42Å; V23-Y37 WeakPolarHBondContact CA-O 3.45Å
24	T	51.3	Low	46.1	Very low	86 Å²	86	83.7 Å²	83.7	53%	0.528	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-28.5	177.4	59.5	0	0	0	0	111.5	D22 Y37	D22-T24 PolarHBondContact O-N 3.48Å; T24-Y37 PolarHBondContact N-O 3.35Å; T24-Y37 PolarHBondContact OG1-O 3.02Å
25	R	48.5	Very low	46.4	Very low	141 Å²	141	84.4 Å²	84.4	53%	0.532	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	143.3	179	-179.5	-173.9	-170.5	167.3	0.4	110.9	E27 Y37	R25-E27 HydrophobicContact CG-CG 4.06Å; R25-E27 IonicContact CZ-OE1 2.57Å; R25-E27 VanDerWaalsContact NE-CD 3.32Å; R25-E27 IonicContact NE-OE1 3.7Å; R25-E27 PolarHBondContact NE-OE1 3.37Å; R25-E27 IonicContact NH2-OE1 2.84Å; R25-E27 PolarHBondContact NH2-OE1 3.04Å; R25-Y37 HydrophobicContact CB-CD2 4.07Å; R25-Y37 HydrophobicContact CB-CG 4.38Å; R25-Y37 HydrophobicContact CG-CD2 4.02Å; R25-Y37 PolarHBondContact N-O 2.75Å; R25-Y37 PolarHBondContact O-N 2.69Å
26	L	49.7	Very low	47	Very low	47 Å²	47	78.9 Å²	78.9	25%	0.246	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.9	171.3	-174.6	154.6	0	0	0	108.3	F7 I28 T34 Q35 I36	F7-L26 HydrophobicContact CE2-CD2 4.44Å; F7-L26 HydrophobicContact CZ-CD2 4.11Å; L26-I28 HydrophobicContact CD2-CG1 4.02Å; L26-T34 HydrophobicContact CD1-CG2 4.01Å; L26-T34 HydrophobicContact CD2-CG2 3.51Å; L26-T34 HydrophobicContact CG-CG2 3.66Å; L26-Q35 CarbonylContact C-O 3.6Å; L26-Q35 WeakPolarHBondContact CA-O 3.44Å; L26-I36 HydrophobicContact CD1-CG1 4.27Å; L26-I36 HydrophobicContact CG-CG1 4.44Å
27	E	49	Very low	47.6	Very low	63 Å²	63	79.8 Å²	79.8	29%	0.294	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134	178.9	-63.3	-157.9	135.2	0	0	111.4	R25 T34 Q35 Y37	R25-E27 HydrophobicContact CG-CG 4.06Å; R25-E27 IonicContact CZ-OE1 2.57Å; R25-E27 VanDerWaalsContact NE-CD 3.32Å; R25-E27 IonicContact NE-OE1 3.7Å; R25-E27 PolarHBondContact NE-OE1 3.37Å; R25-E27 IonicContact NH2-OE1 2.84Å; R25-E27 PolarHBondContact NH2-OE1 3.04Å; E27-T34 CarbonylContact O-C 3.58Å; E27-T34 WeakPolarHBondContact O-CA 3.26Å; E27-Q35 HydrophobicContact CB-CB 4.47Å; E27-Q35 PolarHBondContact N-O 2.86Å; E27-Q35 PolarHBondContact O-N 3.38Å; E27-Y37 HydrophobicContact CB-CE2 4.18Å; E27-Y37 HydrophobicContact CG-CD2 4.42Å; E27-Y37 HydrophobicContact CG-CE2 3.77Å; E27-Y37 PolarHBondContact OE2-OH 2.93Å
28	I	49.9	Very low	48.3	Very low	85 Å²	85	71.9 Å²	71.9	44%	0.436	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.5	174.1	-55.7	173.6	0	0	0	107.1	L26 T34	L26-I28 HydrophobicContact CD2-CG1 4.02Å; I28-T34 HydrophobicContact CG1-CG2 4.41Å
29	R	46.9	Very low	48.8	Very low	121 Å²	121	68.2 Å²	68.2	46%	0.457	34%	0.34	S	S	.	.			trans	-83.8	161.7	-178	-67.8	171.1	62.5	138.1	0.7	111.3	D31 G32 M33	R29-D31 WeakPolarHBondContact CB-OD1 3.33Å; R29-D31 IonicContact CZ-OD2 3.37Å; R29-D31 IonicContact NE-OD1 2.98Å; R29-D31 IonicContact NE-OD2 3.95Å; R29-D31 PolarHBondContact NE-OD2 2.73Å; R29-D31 IonicContact NH2-OD2 3.88Å; R29-D31 PolarHBondContact O-N 3.06Å; R29-G32 PolarHBondContact O-N 3.49Å; R29-M33 PolarHBondContact N-O 3.23Å
30	D	49.2	Very low	49.4	Very low	166 Å²	166	64.3 Å²	64.3	89%	0.888	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.6	-179.9	-69.1	-34.8	0	0	0	113.4	G32	D30-G32 PolarHBondContact O-N 3.41Å
31	D	50.7	Low	49.3	Very low	98 Å²	98	68.1 Å²	68.1	52%	0.524	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.7	174.3	57.9	18.4	0	0	0	113.6	R29 M33	R29-D31 WeakPolarHBondContact CB-OD1 3.33Å; R29-D31 IonicContact CZ-OD2 3.37Å; R29-D31 IonicContact NE-OD1 2.98Å; R29-D31 IonicContact NE-OD2 3.95Å; R29-D31 PolarHBondContact NE-OD2 2.73Å; R29-D31 IonicContact NH2-OD2 3.88Å; R29-D31 PolarHBondContact O-N 3.06Å; D31-M33 VanDerWaalsContact C-N 3.3Å; D31-M33 WeakPolarHBondContact OD1-CB 3.14Å; D31-M33 VanDerWaalsContact OD1-CG 3.29Å; D31-M33 WeakPolarHBondContact OD1-CG 3.33Å; D31-M33 PolarHBondContact OD1-N 3.23Å
32	G	44	Very low	49	Very low	38 Å²	38	75 Å²	75	39%	0.392	37%	0.374	S	S	.	.	S	Bend	trans	83.4	3.5	-179.1	0	0	0	0	0	114.1	R29 D30	R29-G32 PolarHBondContact O-N 3.49Å; D30-G32 PolarHBondContact O-N 3.41Å
33	M	45.6	Very low	48.6	Very low	60 Å²	60	72.3 Å²	72.3	30%	0.296	37%	0.368	S	S	.	.			trans	-83.2	142.6	175.2	-57.2	-59.5	-66.7	0	0	110.4	R29 D31 P50	R29-M33 PolarHBondContact N-O 3.23Å; D31-M33 VanDerWaalsContact C-N 3.3Å; D31-M33 WeakPolarHBondContact OD1-CB 3.14Å; D31-M33 VanDerWaalsContact OD1-CG 3.29Å; D31-M33 WeakPolarHBondContact OD1-CG 3.33Å; D31-M33 PolarHBondContact OD1-N 3.23Å; M33-P50 HydrophobicContact CE-CB 3.47Å; M33-P50 VanDerWaalsContact CE-CB 3.47Å
34	T	47.6	Very low	47.9	Very low	22 Å²	22	76.5 Å²	76.5	14%	0.135	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.8	171.8	-57.8	0	0	0	0	109.9	L26 E27 I28 V51	L26-T34 HydrophobicContact CD1-CG2 4.01Å; L26-T34 HydrophobicContact CD2-CG2 3.51Å; L26-T34 HydrophobicContact CG-CG2 3.66Å; E27-T34 CarbonylContact O-C 3.58Å; E27-T34 WeakPolarHBondContact O-CA 3.26Å; I28-T34 HydrophobicContact CG1-CG2 4.41Å; T34-V51 PolarHBondContact N-O 3.27Å; T34-V51 VanDerWaalsContact N-O 3.1Å; T34-V51 PolarHBondContact O-N 2.57Å; T34-V51 VanDerWaalsContact O-N 3.12Å
35	Q	49.7	Very low	47.2	Very low	20 Å²	20	73.9 Å²	73.9	9%	0.093	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.5	-178.7	-171.6	167.9	-13.4	0	0	108.6	L26 E27 Y37 L48	L26-Q35 CarbonylContact C-O 3.6Å; L26-Q35 WeakPolarHBondContact CA-O 3.44Å; E27-Q35 HydrophobicContact CB-CB 4.47Å; E27-Q35 PolarHBondContact N-O 2.86Å; E27-Q35 PolarHBondContact O-N 3.38Å; Q35-Y37 HydrophobicContact CB-CE2 4.34Å; Q35-Y37 VanDerWaalsContact CD-OH 3.26Å; Q35-Y37 HydrophobicContact CG-CD2 4.45Å; Q35-Y37 HydrophobicContact CG-CE2 3.77Å; Q35-Y37 VanDerWaalsContact NE2-CZ 3.28Å; Q35-Y37 PolarHBondContact NE2-OH 2.76Å; Q35-L48 HydrophobicContact CG-CB 4.29Å; Q35-L48 HydrophobicContact CG-CD2 3.68Å; Q35-L48 HydrophobicContact CG-CG 4.35Å
36	I	53.2	Low	46.7	Very low	6 Å²	6	73.3 Å²	73.3	3%	0.031	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.2	-178.3	-60.8	170.6	0	0	0	107.4	I14 V23 L26 V51 F57	I14-I36 HydrophobicContact CD1-CD1 4.05Å; V23-I36 HydrophobicContact CB-CG2 4.19Å; V23-I36 HydrophobicContact CG1-CG2 3.74Å; V23-I36 HydrophobicContact CG2-CG2 3.42Å; V23-I36 VanDerWaalsContact CG2-CG2 3.42Å; L26-I36 HydrophobicContact CD1-CG1 4.27Å; L26-I36 HydrophobicContact CG-CG1 4.44Å; I36-V51 HydrophobicContact CD1-CG2 3.91Å; I36-F57 HydrophobicContact CD1-CE1 3.76Å; I36-F57 HydrophobicContact CD1-CZ 4.3Å
37	Y	51.4	Low	46	Very low	57 Å²	57	76.4 Å²	76.4	22%	0.224	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.1	173.3	-58.1	-96.1	0	0	0	108.2	V23 T24 R25 E27 Q35 L48	V23-Y37 WeakPolarHBondContact CA-O 3.45Å; T24-Y37 PolarHBondContact N-O 3.35Å; T24-Y37 PolarHBondContact OG1-O 3.02Å; R25-Y37 HydrophobicContact CB-CD2 4.07Å; R25-Y37 HydrophobicContact CB-CG 4.38Å; R25-Y37 HydrophobicContact CG-CD2 4.02Å; R25-Y37 PolarHBondContact N-O 2.75Å; R25-Y37 PolarHBondContact O-N 2.69Å; E27-Y37 HydrophobicContact CB-CE2 4.18Å; E27-Y37 HydrophobicContact CG-CD2 4.42Å; E27-Y37 HydrophobicContact CG-CE2 3.77Å; E27-Y37 PolarHBondContact OE2-OH 2.93Å; Q35-Y37 HydrophobicContact CB-CE2 4.34Å; Q35-Y37 VanDerWaalsContact CD-OH 3.26Å; Q35-Y37 HydrophobicContact CG-CD2 4.45Å; Q35-Y37 HydrophobicContact CG-CE2 3.77Å; Q35-Y37 VanDerWaalsContact NE2-CZ 3.28Å; Q35-Y37 PolarHBondContact NE2-OH 2.76Å; Y37-L48 HydrophobicContact CE1-CD2 4.14Å
38	G	51.9	Low	45.5	Very low	9 Å²	9	77.5 Å²	77.5	9%	0.093	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	178.6	178.6	0	0	0	0	0	112.9	D22 M45	D22-G38 CarbonylContact O-C 3.55Å; D22-G38 WeakPolarHBondContact O-CA 3.5Å; G38-M45 PolarHBondContact O-N 3.14Å
39	E	47.9	Very low	45.1	Very low	109 Å²	109	75.7 Å²	75.7	51%	0.509	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135	173.8	-64.6	177.2	-176.4	0	0	107.3	D22	D22-E39 PolarHBondContact N-O 2.04Å; D22-E39 PolarHBondContact O-N 3.5Å
40	D	48.6	Very low	44.6	Very low	29 Å²	29	74.4 Å²	74.4	16%	0.155	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	175.3	168.9	91.2	-28.1	0	0	0	109.3	H42 G43	D40-H42 PolarHBondContact O-N 2.98Å; D40-H42 VanDerWaalsContact OD1-CA 3.29Å; D40-H42 WeakPolarHBondContact OD1-CA 3.38Å; D40-H42 WeakPolarHBondContact OD1-CB 3.45Å; D40-H42 PolarHBondContact OD1-N 3.1Å; D40-H42 IonicContact OD2-CG 3.79Å; D40-H42 IonicContact OD2-ND1 3.1Å; D40-H42 PolarHBondContact OD2-ND1 3.19Å; D40-H42 VanDerWaalsContact OD2-ND1 3.1Å; D40-G43 PolarHBondContact N-O 3.15Å; D40-G43 PolarHBondContact O-N 3.37Å; D40-G43 PolarHBondContact OD1-N 3.49Å; D40-G43 VanDerWaalsContact OD1-O 3.06Å
41	Q	48.2	Very low	44.2	Very low	171 Å²	171	67 Å²	67	80%	0.799	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.5	177.7	65.4	-172	-29.1	0	0	114.6
42	H	40.9	Very low	43.4	Very low	151 Å²	151	66.5 Å²	66.5	70%	0.699	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-5.3	-179.5	-54.5	102.5	0	0	0	113.4	D40	D40-H42 PolarHBondContact O-N 2.98Å; D40-H42 VanDerWaalsContact OD1-CA 3.29Å; D40-H42 WeakPolarHBondContact OD1-CA 3.38Å; D40-H42 WeakPolarHBondContact OD1-CB 3.45Å; D40-H42 PolarHBondContact OD1-N 3.1Å; D40-H42 IonicContact OD2-CG 3.79Å; D40-H42 IonicContact OD2-ND1 3.1Å; D40-H42 PolarHBondContact OD2-ND1 3.19Å; D40-H42 VanDerWaalsContact OD2-ND1 3.1Å
43	G	44.4	Very low	42.9	Very low	37 Å²	37	68 Å²	68	38%	0.381	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	142	-171.9	174.6	0	0	0	0	0	113	D40 M45	D40-G43 PolarHBondContact N-O 3.15Å; D40-G43 PolarHBondContact O-N 3.37Å; D40-G43 PolarHBondContact OD1-N 3.49Å; D40-G43 VanDerWaalsContact OD1-O 3.06Å; G43-M45 PolarHBondContact O-N 2.74Å; G43-M45 VanDerWaalsContact O-N 3.1Å
44	C	37.8	Very low	42.1	Very low	91 Å²	91	71.8 Å²	71.8	62%	0.615	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	116.4	171.6	-70.2	0	0	0	0	109.2	D46	C44-D46 PolarHBondContact O-N 3.47Å
45	M	36.7	Very low	41.4	Very low	30 Å²	30	73.1 Å²	73.1	15%	0.148	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	88.3	172.3	-148.4	-172	-178.7	0	0	106.9	Y19 I21 G38 G43 D47	Y19-M45 HydrophobicContact CD2-CE 4.33Å; Y19-M45 HydrophobicContact CE2-CE 4.35Å; I21-M45 HydrophobicContact CD1-SD 3.6Å; I21-M45 HydrophobicContact CG1-SD 4.28Å; G38-M45 PolarHBondContact O-N 3.14Å; G43-M45 PolarHBondContact O-N 2.74Å; G43-M45 VanDerWaalsContact O-N 3.1Å; M45-D47 HydrophobicContact CE-CB 3.97Å; M45-D47 HydrophobicContact CG-CB 4.01Å; M45-D47 PolarHBondContact O-N 3.18Å
46	D	37.4	Very low	40.7	Very low	129 Å²	129	79.8 Å²	79.8	69%	0.69	43%	0.434	S	S	*	.			trans	-71	-0	166.9	-81.3	-27	0	0	0	111.6	C44 L48	C44-D46 PolarHBondContact O-N 3.47Å; D46-L48 WeakPolarHBondContact O-CD2 3.21Å; D46-L48 PolarHBondContact O-N 3.24Å
47	D	35	Very low	39.9	Very low	113 Å²	113	83.1 Å²	83.1	60%	0.604	45%	0.448	S	S	*	.			trans	-69.4	104.9	176.8	-77.4	-33.5	0	0	0	110.3	M45 I49	M45-D47 HydrophobicContact CE-CB 3.97Å; M45-D47 HydrophobicContact CG-CB 4.01Å; M45-D47 PolarHBondContact O-N 3.18Å; D47-I49 PolarHBondContact O-N 3.41Å
48	L	38.2	Very low	39.1	Very low	85 Å²	85	87 Å²	87	45%	0.445	47%	0.468	S	S	.	.			trans	-67.3	112.6	175.8	-49.5	179.9	0	0	0	108.1	Q35 Y37 D46 P50	Q35-L48 HydrophobicContact CG-CB 4.29Å; Q35-L48 HydrophobicContact CG-CD2 3.68Å; Q35-L48 HydrophobicContact CG-CG 4.35Å; Y37-L48 HydrophobicContact CE1-CD2 4.14Å; D46-L48 WeakPolarHBondContact O-CD2 3.21Å; D46-L48 PolarHBondContact O-N 3.24Å; L48-P50 WeakPolarHBondContact O-CD 3.14Å
49	I	41.3	Very low	38.2	Very low	48 Å²	48	88.4 Å²	88.4	25%	0.246	48%	0.475	C	S	.	.			trans	-89.9	109.6	174.8	-62.1	172.5	0	0	0	106.7	L16 I21 D47 V51	L16-I49 HydrophobicContact CD1-CB 4.48Å; L16-I49 HydrophobicContact CD1-CD1 3.1Å; L16-I49 HydrophobicContact CD1-CG1 4.32Å; L16-I49 HydrophobicContact CD1-CG2 4.37Å; I21-I49 HydrophobicContact CD1-CD1 3.91Å; D47-I49 PolarHBondContact O-N 3.41Å; I49-V51 HydrophobicContact CG2-CG2 4.22Å; I49-V51 PolarHBondContact O-N 2.84Å
50	P	37.6	Very low	37.2	Very low	94 Å²	94	85.7 Å²	85.7	61%	0.61	47%	0.468	S	S	*	.			trans	-71.2	102.7	-179.4	28	-32.6	0	0	0	108.2	M33 L48	M33-P50 HydrophobicContact CE-CB 3.47Å; M33-P50 VanDerWaalsContact CE-CB 3.47Å; L48-P50 WeakPolarHBondContact O-CD 3.14Å
51	V	40.1	Very low	36.4	Very low	9 Å²	9	87.9 Å²	87.9	6%	0.055	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-91.6	119.6	176.3	-175.9	0	0	0	0	109	T34 I36 I49 S55 F57	T34-V51 PolarHBondContact N-O 3.27Å; T34-V51 VanDerWaalsContact N-O 3.1Å; T34-V51 PolarHBondContact O-N 2.57Å; T34-V51 VanDerWaalsContact O-N 3.12Å; I36-V51 HydrophobicContact CD1-CG2 3.91Å; I49-V51 HydrophobicContact CG2-CG2 4.22Å; I49-V51 PolarHBondContact O-N 2.84Å; V51-S55 VanDerWaalsContact CG1-OG 3.26Å; V51-S55 WeakPolarHBondContact CG1-OG 2.81Å; V51-F57 HydrophobicContact CB-CE1 4.19Å; V51-F57 HydrophobicContact CB-CE2 4.45Å; V51-F57 HydrophobicContact CB-CZ 3.56Å; V51-F57 HydrophobicContact CG1-CE1 3.71Å; V51-F57 HydrophobicContact CG1-CE2 3.57Å; V51-F57 HydrophobicContact CG1-CZ 3Å; V51-F57 HydrophobicContact CG2-CE1 3.77Å; V51-F57 HydrophobicContact CG2-CZ 3.64Å
52	N	33.9	Very low	35.4	Very low	89 Å²	89	87.6 Å²	87.6	48%	0.476	48%	0.475	S	S	.	.			trans	-85.8	163.9	177.2	68.1	39.1	0	0	0	111.4	N54 S55	N52-N54 PolarHBondContact O-N 2.83Å; N52-N54 PolarHBondContact OD1-N 2.81Å; N52-S55 WeakPolarHBondContact O-CB 3.29Å; N52-S55 PolarHBondContact O-N 3.22Å; N52-S55 PolarHBondContact O-OG 3.2Å; N52-S55 VanDerWaalsContact O-OG 3.06Å; N52-S55 PolarHBondContact OD1-OG 2.77Å
53	S	32.9	Very low	35	Very low	70 Å²	70	85.1 Å²	85.1	49%	0.49	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-15.2	-170.5	62.2	0	0	0	0	116.7
54	N	29.2	Very low	34.1	Very low	139 Å²	139	88.1 Å²	88.1	74%	0.743	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	6.6	-177.6	-64	-8.7	0	0	0	112.6	N52 E56	N52-N54 PolarHBondContact O-N 2.83Å; N52-N54 PolarHBondContact OD1-N 2.81Å; N54-E56 PolarHBondContact O-N 3.15Å
55	S	32.7	Very low	33.4	Very low	49 Å²	49	90.5 Å²	90.5	34%	0.343	48%	0.48	S	S	.	.			trans	-82.7	115.5	-177.8	-57.6	0	0	0	0	109.5	V51 N52 F57	V51-S55 VanDerWaalsContact CG1-OG 3.26Å; V51-S55 WeakPolarHBondContact CG1-OG 2.81Å; N52-S55 WeakPolarHBondContact O-CB 3.29Å; N52-S55 PolarHBondContact O-N 3.22Å; N52-S55 PolarHBondContact O-OG 3.2Å; N52-S55 VanDerWaalsContact O-OG 3.06Å; N52-S55 PolarHBondContact OD1-OG 2.77Å; S55-F57 WeakPolarHBondContact O-CD2 3.01Å
56	E	34.8	Very low	32.7	Very low	161 Å²	161	94.4 Å²	94.4	75%	0.752	51%	0.509	S	S	*	.			trans	-79.1	121.5	170	-171.7	168.4	-160.8	0	0	108.3	N54 H58	N54-E56 PolarHBondContact O-N 3.15Å; E56-H58 IonicContact OE1-NE2 3.77Å
57	F	36.9	Very low	32	Very low	75 Å²	75	96.1 Å²	96.1	33%	0.329	51%	0.512	S	S	.	.			trans	-99.6	111.5	177.1	-64.8	-83.6	0	0	0	109.3	I14 I36 V51 S55 V59	I14-F57 HydrophobicContact CD1-CD1 4.47Å; I14-F57 HydrophobicContact CG2-CD1 4.45Å; I36-F57 HydrophobicContact CD1-CE1 3.76Å; I36-F57 HydrophobicContact CD1-CZ 4.3Å; V51-F57 HydrophobicContact CB-CE1 4.19Å; V51-F57 HydrophobicContact CB-CE2 4.45Å; V51-F57 HydrophobicContact CB-CZ 3.56Å; V51-F57 HydrophobicContact CG1-CE1 3.71Å; V51-F57 HydrophobicContact CG1-CE2 3.57Å; V51-F57 HydrophobicContact CG1-CZ 3Å; V51-F57 HydrophobicContact CG2-CE1 3.77Å; V51-F57 HydrophobicContact CG2-CZ 3.64Å; S55-F57 WeakPolarHBondContact O-CD2 3.01Å; F57-V59 HydrophobicContact CB-CG2 4.14Å; F57-V59 PolarHBondContact O-N 3.47Å
58	H	33.8	Very low	31.4	Very low	138 Å²	138	95.7 Å²	95.7	64%	0.639	51%	0.51	S	S	*	.			trans	-85	103.9	164.1	-73.4	-91.8	0	0	0	108.2	E56 S60	E56-H58 IonicContact OE1-NE2 3.77Å; H58-S60 PolarHBondContact O-N 2.97Å
59	V	33.2	Very low	31	Very low	40 Å²	40	96.6 Å²	96.6	24%	0.242	52%	0.521	C	S	.	.			trans	-95.4	93	178.4	-172.9	0	0	0	0	108.3	T12 F57 H61	T12-V59 HydrophobicContact CG2-CG1 3.89Å; T12-V59 WeakPolarHBondContact OG1-CG1 3.26Å; F57-V59 HydrophobicContact CB-CG2 4.14Å; F57-V59 PolarHBondContact O-N 3.47Å; V59-H61 PolarHBondContact O-N 3.4Å
60	S	28.4	Very low	30.3	Very low	51 Å²	51	103.9 Å²	103.9	36%	0.357	55%	0.551	S	S	.	*			trans	-77.1	98	171.1	47.6	0	0	0	0	109.1	H58 H62	H58-S60 PolarHBondContact O-N 2.97Å; S60-H62 PolarHBondContact O-N 3.5Å
61	H	30.7	Very low	29.7	Very low	75 Å²	75	101.4 Å²	101.4	35%	0.347	54%	0.536	S	S	.	.			trans	-70.5	101	173.6	-76.7	83.8	0	0	0	109.8	V59 R63	V59-H61 PolarHBondContact O-N 3.4Å; H61-R63 PolarHBondContact O-N 2.78Å; H61-R63 VanDerWaalsContact O-N 3.14Å
62	H	27.6	Very low	29.2	Very low	165 Å²	165	109.3 Å²	109.3	76%	0.764	58%	0.578	S	S	*	*			trans	-68.2	108.6	161.3	-103.7	-83.4	0	0	0	108.5	S60	S60-H62 PolarHBondContact O-N 3.5Å
63	R	31.9	Very low	28.5	Very low	100 Å²	100	111.2 Å²	111.2	38%	0.377	59%	0.586	S	S	.	*			trans	-54.6	136.7	-171.5	-82.2	-165.2	170.2	174.8	11.9	114.3	H61 I65 S77	H61-R63 PolarHBondContact O-N 2.78Å; H61-R63 VanDerWaalsContact O-N 3.14Å; R63-I65 PolarHBondContact O-N 3.31Å; R63-S77 WeakPolarHBondContact CD-O 3.38Å; R63-S77 VanDerWaalsContact CZ-CA 3.42Å; R63-S77 PolarHBondContact NE-O 3Å; R63-S77 VanDerWaalsContact NH1-CA 3.26Å; R63-S77 PolarHBondContact NH1-O 3.12Å; R63-S77 VanDerWaalsContact NH1-O 3.15Å; R63-S77 PolarHBondContact NH1-OG 3.33Å; R63-S77 PolarHBondContact NH2-O 2.78Å; R63-S77 PolarHBondContact NH2-OG 3.16Å
64	S	25.7	Very low	28.2	Very low	99 Å²	99	112.1 Å²	112.1	69%	0.692	59%	0.588	S	S	*	*			trans	-61.3	126.2	157.6	-58.5	0	0	0	0	109.5	C66	S64-C66 PolarHBondContact O-N 3.02Å
65	I	23.6	Very low	27.9	Very low	142 Å²	142	110 Å²	110	73%	0.728	58%	0.58	S	S	*	*			trans	-59.4	102.4	174.4	-61.4	162.3	0	0	0	108.2	R63 Q67	R63-I65 PolarHBondContact O-N 3.31Å; I65-Q67 HydrophobicContact CG2-CG 4.26Å; I65-Q67 PolarHBondContact O-N 3.21Å
66	C	22.7	Very low	27.5	Very low	111 Å²	111	117.6 Å²	117.6	75%	0.75	60%	0.601	S	S	*	*			trans	-89.8	94.5	161.3	-85.3	0	0	0	0	107.7	S64 L68	S64-C66 PolarHBondContact O-N 3.02Å; C66-L68 PolarHBondContact O-N 3.24Å; C66-L68 VanDerWaalsContact O-N 3.15Å
67	Q	22	Very low	27	Very low	165 Å²	165	113 Å²	113	77%	0.771	59%	0.587	S	S	*	*			trans	-63	111.4	160.8	-91.3	-179.5	-34.4	0	0	107.6	I65 P69	I65-Q67 HydrophobicContact CG2-CG 4.26Å; I65-Q67 PolarHBondContact O-N 3.21Å; Q67-P69 WeakPolarHBondContact O-CD 3.42Å
68	L	23	Very low	26.6	Very low	104 Å²	104	116.5 Å²	116.5	55%	0.545	60%	0.604	S	S	.	*			trans	-65.2	119.5	164.9	-74.3	164.7	0	0	0	106.5	C66 F70 S71	C66-L68 PolarHBondContact O-N 3.24Å; C66-L68 VanDerWaalsContact O-N 3.15Å; L68-F70 PolarHBondContact O-N 2.98Å; L68-S71 PolarHBondContact O-N 2.86Å
69	P	29.7	Very low	26.3	Very low	104 Å²	104	113.5 Å²	113.5	68%	0.675	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	0	-163.3	18.5	-29	0	0	0	115.5	Q67	Q67-P69 WeakPolarHBondContact O-CD 3.42Å
70	F	25.4	Very low	26.3	Very low	201 Å²	201	117.6 Å²	117.6	88%	0.882	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	16.8	-177.3	-59.9	-73	0	0	0	114.9	L68	L68-F70 PolarHBondContact O-N 2.98Å
71	S	25	Very low	26.4	Very low	42 Å²	42	118.4 Å²	118.4	29%	0.294	61%	0.609	S	S	.	*			trans	-147.5	130.6	168.9	65.4	0	0	0	0	111	L68 M73	L68-S71 PolarHBondContact O-N 2.86Å; S71-M73 PolarHBondContact O-N 2.92Å
72	N	29.4	Very low	26.7	Very low	175 Å²	175	117.6 Å²	117.6	94%	0.936	61%	0.612	S	S	*	*			trans	-65.5	25.8	168.9	-73.1	-12.8	0	0	0	113.1
73	M	20.8	Very low	27	Very low	130 Å²	130	112.9 Å²	112.9	64%	0.64	60%	0.597	S	S	*	*			trans	-98.4	106.7	175.4	-72.3	-170.4	-55.6	0	0	109	S71 V75	S71-M73 PolarHBondContact O-N 2.92Å; M73-V75 PolarHBondContact O-N 2.86Å
74	T	26	Very low	27.2	Very low	89 Å²	89	113.8 Å²	113.8	55%	0.546	61%	0.605	S	S	.	*			trans	-72.9	107.2	162.9	-53	0	0	0	0	107.8	W76	T74-W76 HydrophobicContact CG2-CD2 4.2Å; T74-W76 HydrophobicContact CG2-CG 4.47Å; T74-W76 HydrophobicContact CG2-CZ2 3.89Å; T74-W76 PolarHBondContact O-N 2.88Å
75	V	22.7	Very low	27.6	Very low	93 Å²	93	113.6 Å²	113.6	56%	0.564	59%	0.592	S	S	*	*			trans	-88.1	103	172.2	-178.4	0	0	0	0	108.3	M73 S77	M73-V75 PolarHBondContact O-N 2.86Å; V75-S77 PolarHBondContact O-N 3.29Å
76	W	24.3	Very low	28	Very low	210 Å²	210	109.3 Å²	109.3	80%	0.795	57%	0.57	S	S	*	*			trans	-78.5	115	164.5	-51.1	87.8	0	0	0	107.3	T74	T74-W76 HydrophobicContact CG2-CD2 4.2Å; T74-W76 HydrophobicContact CG2-CG 4.47Å; T74-W76 HydrophobicContact CG2-CZ2 3.89Å; T74-W76 PolarHBondContact O-N 2.88Å
77	S	23.8	Very low	28.5	Very low	65 Å²	65	108.5 Å²	108.5	46%	0.455	56%	0.558	S	S	.	*			trans	-121.9	162.2	152	32.3	0	0	0	0	107.7	R63 V75	R63-S77 WeakPolarHBondContact CD-O 3.38Å; R63-S77 VanDerWaalsContact CZ-CA 3.42Å; R63-S77 PolarHBondContact NE-O 3Å; R63-S77 VanDerWaalsContact NH1-CA 3.26Å; R63-S77 PolarHBondContact NH1-O 3.12Å; R63-S77 VanDerWaalsContact NH1-O 3.15Å; R63-S77 PolarHBondContact NH1-OG 3.33Å; R63-S77 PolarHBondContact NH2-O 2.78Å; R63-S77 PolarHBondContact NH2-OG 3.16Å; V75-S77 PolarHBondContact O-N 3.29Å
78	Q	29.4	Very low	29.3	Very low	148 Å²	148	109 Å²	109	69%	0.692	56%	0.56	S	S	*	*			trans	-105.4	131.1	174.5	-176.5	169.5	-21.4	0	0	104.5	E80	Q78-E80 HydrophobicContact CG-CG 4.09Å; Q78-E80 PolarHBondContact NE2-OE1 3.05Å
79	L	27.3	Very low	30.2	Very low	74 Å²	74	107.8 Å²	107.8	39%	0.387	56%	0.557	S	S	.	*			trans	-113.5	105	170.3	-163.4	77.6	0	0	0	105.3	L81 L97	L79-L81 HydrophobicContact CD2-CD1 4.21Å; L79-L81 HydrophobicContact CD2-CD2 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.08Å; L79-L81 HydrophobicContact CG-CD2 4.4Å; L79-L81 HydrophobicContact CG-CG 4.36Å; L79-L97 HydrophobicContact CD1-CB 4.41Å; L79-L97 HydrophobicContact CD1-CD2 3.42Å; L79-L97 VanDerWaalsContact CD1-CD2 3.42Å; L79-L97 HydrophobicContact CD2-CD2 3.6Å; L79-L97 HydrophobicContact CG-CD2 3.66Å
80	E	33	Very low	30.5	Very low	127 Å²	127	108.9 Å²	108.9	59%	0.593	55%	0.551	S	S	*	*			trans	-87.1	118	172.3	-69.2	-173.7	167.9	0	0	106.6	Q78 E96	Q78-E80 HydrophobicContact CG-CG 4.09Å; Q78-E80 PolarHBondContact NE2-OE1 3.05Å; E80-E96 VanDerWaalsContact O-O 3.05Å
81	L	31.4	Very low	30.9	Very low	67 Å²	67	101.3 Å²	101.3	35%	0.351	52%	0.523	S	S	.	.			trans	-104.8	103.3	174.1	-67.5	167.2	0	0	0	106.8	L79 I95 E96 L97	L79-L81 HydrophobicContact CD2-CD1 4.21Å; L79-L81 HydrophobicContact CD2-CD2 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.08Å; L79-L81 HydrophobicContact CG-CD2 4.4Å; L79-L81 HydrophobicContact CG-CG 4.36Å; L81-I95 HydrophobicContact CB-CG2 4.43Å; L81-I95 HydrophobicContact CD2-CG2 3.44Å; L81-I95 VanDerWaalsContact CD2-CG2 3.44Å; L81-E96 WeakPolarHBondContact CA-O 3.29Å; L81-L97 HydrophobicContact CD2-CD2 3.42Å; L81-L97 VanDerWaalsContact CD2-CD2 3.42Å; L81-L97 HydrophobicContact CD2-CG 4.29Å
82	S	35.7	Very low	31.5	Very low	58 Å²	58	101.9 Å²	101.9	41%	0.406	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.2	167.9	57.7	0	0	0	0	108.2	I95 E96	S82-I95 WeakPolarHBondContact O-CA 3.44Å; S82-E96 PolarHBondContact N-O 2.82Å; S82-E96 PolarHBondContact O-N 2.94Å; S82-E96 WeakPolarHBondContact OG-CB 3.43Å
83	C	34.4	Very low	31.6	Very low	67 Å²	67	98.5 Å²	98.5	45%	0.453	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.8	171.5	170.5	0	0	0	0	109.1	F85 C92 S94	C83-F85 PolarHBondContact O-N 3.22Å; C83-C92 WeakPolarHBondContact CB-SG 3.3Å; C83-C92 WeakPolarHBondContact SG-CB 3.31Å; C83-C92 CovalentContact SG-SG 2.04Å; C83-C92 PolarHBondContact SG-SG 3.27Å; C83-S94 WeakPolarHBondContact CA-O 3Å
84	Q	35.9	Very low	32.1	Very low	119 Å²	119	94.2 Å²	94.2	56%	0.556	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	114	167.7	-68.9	-173.4	1.5	0	0	109.1	L93 S94	Q84-L93 WeakPolarHBondContact O-CB 3.39Å; Q84-L93 PolarHBondContact O-N 3.27Å; Q84-S94 PolarHBondContact N-O 3.06Å
85	F	34.3	Very low	32.5	Very low	95 Å²	95	95.4 Å²	95.4	42%	0.417	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128	-176.9	-163	-96.7	0	0	0	111.7	C83 L87	C83-F85 PolarHBondContact O-N 3.22Å; F85-L87 HydrophobicContact CD1-CD2 3.98Å; F85-L87 HydrophobicContact CD1-CG 4.43Å; F85-L87 HydrophobicContact CE1-CD2 4.11Å
86	N	31	Very low	32.8	Very low	51 Å²	51	96.4 Å²	96.4	27%	0.273	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112	171.5	-172.6	-34.4	0	0	0	110.7	H88 T89 K90 S91 L93	N86-H88 VanDerWaalsContact C-N 3.33Å; N86-H88 PolarHBondContact O-N 3.01Å; N86-H88 WeakPolarHBondContact OD1-CB 3.43Å; N86-H88 PolarHBondContact OD1-N 2.75Å; N86-T89 WeakPolarHBondContact CB-OG1 3.29Å; N86-T89 PolarHBondContact OD1-N 2.95Å; N86-K90 VanDerWaalsContact O-CA 3.26Å; N86-K90 WeakPolarHBondContact O-CA 3.17Å; N86-K90 PolarHBondContact O-N 2.68Å; N86-S91 PolarHBondContact N-O 3.1Å; N86-S91 PolarHBondContact O-N 3.05Å; N86-L93 HydrophobicContact CB-CD1 3.64Å; N86-L93 HydrophobicContact CB-CD2 3.73Å; N86-L93 HydrophobicContact CB-CG 3.54Å
87	L	34.9	Very low	33.1	Very low	95 Å²	95	94 Å²	94	50%	0.497	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.3	-179	-67	166.8	0	0	0	113.4	F85	F85-L87 HydrophobicContact CD1-CD2 3.98Å; F85-L87 HydrophobicContact CD1-CG 4.43Å; F85-L87 HydrophobicContact CE1-CD2 4.11Å
88	H	38.3	Very low	33.5	Very low	176 Å²	176	95.5 Å²	95.5	82%	0.815	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-40.9	-178.2	-169.9	70.3	0	0	0	111.3	N86	N86-H88 VanDerWaalsContact C-N 3.33Å; N86-H88 PolarHBondContact O-N 3.01Å; N86-H88 WeakPolarHBondContact OD1-CB 3.43Å; N86-H88 PolarHBondContact OD1-N 2.75Å
89	T	41.8	Very low	33.8	Very low	77 Å²	77	92.7 Å²	92.7	47%	0.472	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.8	179.7	58.3	0	0	0	0	113.4	N86 S91	N86-T89 WeakPolarHBondContact CB-OG1 3.29Å; N86-T89 PolarHBondContact OD1-N 2.95Å; T89-S91 PolarHBondContact O-N 2.93Å; T89-S91 PolarHBondContact OG1-OG 3.26Å
90	K	35.5	Very low	34.1	Very low	128 Å²	128	93.8 Å²	93.8	56%	0.557	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	40.3	-173.2	-57.7	-173.3	176.5	-168.4	0	112.6	N86	N86-K90 VanDerWaalsContact O-CA 3.26Å; N86-K90 WeakPolarHBondContact O-CA 3.17Å; N86-K90 PolarHBondContact O-N 2.68Å
91	S	35	Very low	34.2	Very low	42 Å²	42	91.8 Å²	91.8	29%	0.294	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.6	-177.7	63.2	0	0	0	0	111.5	N86 T89 L93	N86-S91 PolarHBondContact N-O 3.1Å; N86-S91 PolarHBondContact O-N 3.05Å; T89-S91 PolarHBondContact O-N 2.93Å; T89-S91 PolarHBondContact OG1-OG 3.26Å; S91-L93 PolarHBondContact O-N 3.25Å
92	C	36.2	Very low	34.4	Very low	54 Å²	54	93.4 Å²	93.4	37%	0.365	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	122	165	-169	0	0	0	0	108.3	C83 S94	C83-C92 WeakPolarHBondContact CB-SG 3.3Å; C83-C92 WeakPolarHBondContact SG-CB 3.31Å; C83-C92 CovalentContact SG-SG 2.04Å; C83-C92 PolarHBondContact SG-SG 3.27Å; C92-S94 PolarHBondContact SG-O 3.1Å; C92-S94 VanDerWaalsContact SG-O 3.4Å
93	L	32.4	Very low	34.3	Very low	103 Å²	103	95.7 Å²	95.7	54%	0.539	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-35.9	-176.5	-70.5	176.6	0	0	0	112.5	Q84 N86 S91	Q84-L93 WeakPolarHBondContact O-CB 3.39Å; Q84-L93 PolarHBondContact O-N 3.27Å; N86-L93 HydrophobicContact CB-CD1 3.64Å; N86-L93 HydrophobicContact CB-CD2 3.73Å; N86-L93 HydrophobicContact CB-CG 3.54Å; S91-L93 PolarHBondContact O-N 3.25Å
94	S	31.7	Very low	34.3	Very low	41 Å²	41	97.8 Å²	97.8	29%	0.287	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	146	178.1	55.4	0	0	0	0	109.2	C83 Q84 C92	C83-S94 WeakPolarHBondContact CA-O 3Å; Q84-S94 PolarHBondContact N-O 3.06Å; C92-S94 PolarHBondContact SG-O 3.1Å; C92-S94 VanDerWaalsContact SG-O 3.4Å
95	I	33.4	Very low	34.1	Very low	113 Å²	113	96.2 Å²	96.2	58%	0.579	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.3	167.4	-60.9	174.2	0	0	0	104.7	L81 S82	L81-I95 HydrophobicContact CB-CG2 4.43Å; L81-I95 HydrophobicContact CD2-CG2 3.44Å; L81-I95 VanDerWaalsContact CD2-CG2 3.44Å; S82-I95 WeakPolarHBondContact O-CA 3.44Å
96	E	30	Very low	34.1	Very low	115 Å²	115	96.3 Å²	96.3	54%	0.537	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.3	170.8	-53.8	-180	163.7	0	0	108.7	E80 L81 S82	E80-E96 VanDerWaalsContact O-O 3.05Å; L81-E96 WeakPolarHBondContact CA-O 3.29Å; S82-E96 PolarHBondContact N-O 2.82Å; S82-E96 PolarHBondContact O-N 2.94Å; S82-E96 WeakPolarHBondContact OG-CB 3.43Å
97	L	29.4	Very low	34.4	Very low	160 Å²	160	100.4 Å²	100.4	84%	0.838	53%	0.525	S	S	*	.			trans	-109.5	0	-175.8	-76.6	165.9	0	0	0	111.1	L79 L81	L79-L97 HydrophobicContact CD1-CB 4.41Å; L79-L97 HydrophobicContact CD1-CD2 3.42Å; L79-L97 VanDerWaalsContact CD1-CD2 3.42Å; L79-L97 HydrophobicContact CD2-CD2 3.6Å; L79-L97 HydrophobicContact CG-CD2 3.66Å; L81-L97 HydrophobicContact CD2-CD2 3.42Å; L81-L97 VanDerWaalsContact CD2-CD2 3.42Å; L81-L97 HydrophobicContact CD2-CG 4.29Å

Retrieved 97 of 97 residues in 21.3 ms (Link to these results)

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