A0A5K4FGH3_SCHMA Loading...

oxaloacetate tautomerase

AlphaFold DB , UniProt , Accession A0A5K4FGH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 110 aa.

						>A0A5K4FGH3_SCHMA|A0A5K4FGH3
MAKCFDTACPVGPILPLDSLPAGILTSRQEFQNVNNEIWLKVNQVERQRSKLNMMVWTPAELISIITKRISLQYGDLILTGTPAGVGPLRSCDEIEAGLDDLCSIKFSVE
					

Structure Viewer

Loading PAE data...

(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	82.8	Confident	95.3	Very high	218 Å²	218	114.8 Å²	114.8	100%	1.074	66%	0.658	S	S	*	*				0	-24.4	0	-67.7	-171.2	-79.3	0	0	114.3	K3 F5	M1-K3 PolarHBondContact O-N 2.78Å; M1-F5 WeakPolarHBondContact O-CD1 3.4Å
2	A	95	Very high	95.3	Very high	86 Å²	86	108 Å²	108	71%	0.711	63%	0.631	S	S	*	*			trans	-73	-22.5	-174.7	0	0	0	0	0	116.9
3	K	95.8	Very high	95.3	Very high	181 Å²	181	105.7 Å²	105.7	79%	0.787	62%	0.622	S	S	*	*	S	Bend	trans	-134.8	-2.9	-170.8	-69.5	-65.9	-173.9	-179.8	0	115.5	M1	M1-K3 PolarHBondContact O-N 2.78Å
4	C	96.5	Very high	95.3	Very high	120 Å²	120	109.9 Å²	109.9	81%	0.811	64%	0.637	S	S	*	*			trans	-135.1	41.8	-170.2	-49.7	0	0	0	0	110.7
5	F	96.5	Very high	95.3	Very high	118 Å²	118	105.7 Å²	105.7	52%	0.518	61%	0.611	S	S	.	*	S	Bend	trans	-93.5	162.8	171.8	53.7	-86.2	0	0	0	109.4	M1 A8	M1-F5 WeakPolarHBondContact O-CD1 3.4Å; F5-A8 HydrophobicContact CD1-CB 3.93Å; F5-A8 HydrophobicContact CD2-CB 3.74Å; F5-A8 HydrophobicContact CE1-CB 3.81Å; F5-A8 HydrophobicContact CE2-CB 3.61Å; F5-A8 HydrophobicContact CG-CB 3.88Å; F5-A8 HydrophobicContact CZ-CB 3.64Å; F5-A8 WeakPolarHBondContact O-CB 3.47Å; F5-A8 PolarHBondContact O-N 2.77Å
6	D	97.1	Very high	95.3	Very high	149 Å²	149	104.4 Å²	104.4	80%	0.797	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	144.9	176.8	-64.8	-21.5	0	0	0	110.1	A8	D6-A8 PolarHBondContact O-N 3.41Å
7	T	95.9	Very high	95.2	Very high	131 Å²	131	104.2 Å²	104.2	80%	0.804	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	61	7.1	-177.1	77.2	0	0	0	0	116.1	C9	T7-C9 PolarHBondContact O-N 3.02Å
8	A	96.8	Very high	95.2	Very high	38 Å²	38	107.3 Å²	107.3	31%	0.314	62%	0.617	S	S	.	*			trans	-65.3	-9.6	-179.6	0	0	0	0	0	115.6	F5 D6	F5-A8 HydrophobicContact CD1-CB 3.93Å; F5-A8 HydrophobicContact CD2-CB 3.74Å; F5-A8 HydrophobicContact CE1-CB 3.81Å; F5-A8 HydrophobicContact CE2-CB 3.61Å; F5-A8 HydrophobicContact CG-CB 3.88Å; F5-A8 HydrophobicContact CZ-CB 3.64Å; F5-A8 WeakPolarHBondContact O-CB 3.47Å; F5-A8 PolarHBondContact O-N 2.77Å; D6-A8 PolarHBondContact O-N 3.41Å
9	C	97.2	Very high	95.2	Very high	65 Å²	65	104.1 Å²	104.1	44%	0.439	60%	0.602	S	S	.	*	S	Bend	trans	-128.7	79.7	179.5	-172	0	0	0	0	110.3	T7 V11	T7-C9 PolarHBondContact O-N 3.02Å; C9-V11 WeakPolarHBondContact O-CG2 3.48Å; C9-V11 PolarHBondContact O-N 3.48Å
10	P	97.3	Very high	95.1	Very high	71 Å²	71	101.4 Å²	101.4	46%	0.461	59%	0.585	S	S	.	*			trans	-58.2	129.8	165.9	-22	34	0	0	0	110.1	I105 F107	P10-I105 HydrophobicContact CB-CD1 4.43Å; P10-F107 HydrophobicContact CB-CD1 4.17Å; P10-F107 HydrophobicContact CB-CE1 3.92Å; P10-F107 HydrophobicContact CB-CE2 4.4Å; P10-F107 HydrophobicContact CB-CZ 4.04Å; P10-F107 HydrophobicContact CG-CD2 4.42Å; P10-F107 HydrophobicContact CG-CE1 4.28Å; P10-F107 HydrophobicContact CG-CE2 3.95Å; P10-F107 HydrophobicContact CG-CZ 3.87Å
11	V	97	Very high	95	Very high	86 Å²	86	97.6 Å²	97.6	52%	0.521	56%	0.563	S	S	.	*			trans	-126.4	129.8	-176.6	-176.3	0	0	0	0	109.9	C9 I105	C9-V11 WeakPolarHBondContact O-CG2 3.48Å; C9-V11 PolarHBondContact O-N 3.48Å; V11-I105 WeakPolarHBondContact O-CD1 3.25Å
12	G	95.6	Very high	95.5	Very high	33 Å²	33	91.9 Å²	91.9	34%	0.34	55%	0.551	S	S	.	*			trans	-77.5	-169.4	175.4	0	0	0	0	0	113.4
13	P	95.2	Very high	95.5	Very high	78 Å²	78	88.3 Å²	88.3	51%	0.506	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-63.2	145.9	175.4	28.1	-34.9	0	0	0	111.5	L15 C103	P13-L15 PolarHBondContact O-N 2.87Å; P13-C103 HydrophobicContact CG-CB 3.98Å
14	I	95.7	Very high	95.4	Very high	164 Å²	164	80.9 Å²	80.9	84%	0.841	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-75.6	120.4	171.8	-62.1	172.6	0	0	0	108.2
15	L	95.5	Very high	95.2	Very high	47 Å²	47	79.3 Å²	79.3	25%	0.246	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-92.5	132.2	175.4	-64.2	-176.3	0	0	0	110.5	P13 L20 L102 C103	P13-L15 PolarHBondContact O-N 2.87Å; L15-L20 HydrophobicContact CB-CD2 3.93Å; L15-L20 HydrophobicContact CD1-CD2 3.84Å; L15-L102 HydrophobicContact CD1-CB 4.31Å; L15-C103 HydrophobicContact CD1-CB 4.03Å; L15-C103 HydrophobicContact CD2-CB 4.2Å; L15-C103 HydrophobicContact CG-CB 4.38Å
16	P	95.6	Very high	94.9	Very high	85 Å²	85	75.9 Å²	75.9	55%	0.552	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-65.7	148.8	172.3	27.8	-33.2	0	0	0	110.4	D18 S19	P16-D18 PolarHBondContact O-N 2.8Å; P16-S19 WeakPolarHBondContact CD-OG 3.45Å; P16-S19 WeakPolarHBondContact O-CB 3.36Å; P16-S19 PolarHBondContact O-N 3.45Å; P16-S19 PolarHBondContact O-OG 3.21Å
17	L	93.9	Very high	94.7	Very high	101 Å²	101	71 Å²	71	53%	0.529	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-54.7	-39.4	-176.6	-179.7	56.7	0	0	0	112.7	S19 L20 I24 L25	L17-S19 PolarHBondContact O-N 3.49Å; L17-L20 HydrophobicContact CD1-CD1 4.14Å; L17-L20 WeakPolarHBondContact O-CB 3.24Å; L17-L20 PolarHBondContact O-N 3.39Å; L17-I24 HydrophobicContact CD1-CG2 4.28Å; L17-L25 HydrophobicContact CD1-CD1 3.68Å; L17-L25 HydrophobicContact CD1-CG 4.5Å
18	D	94.6	Very high	94.7	Very high	161 Å²	161	67.9 Å²	67.9	86%	0.861	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-68.3	-14.7	-179.1	-59.9	-19.1	0	0	0	113.7	P16	P16-D18 PolarHBondContact O-N 2.8Å
19	S	94.3	Very high	94.6	Very high	46 Å²	46	72.4 Å²	72.4	32%	0.322	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-89.2	-11.1	174.1	71	0	0	0	0	113.5	P16 L17	P16-S19 WeakPolarHBondContact CD-OG 3.45Å; P16-S19 WeakPolarHBondContact O-CB 3.36Å; P16-S19 PolarHBondContact O-N 3.45Å; P16-S19 PolarHBondContact O-OG 3.21Å; L17-S19 PolarHBondContact O-N 3.49Å
20	L	94	Very high	94.6	Very high	50 Å²	50	73.9 Å²	73.9	26%	0.262	43%	0.429	S	S	.	.	S	Bend	trans	-81.8	158.2	-179.3	-61.6	-179.5	0	0	0	111.1	L15 L17 A22 I24	L15-L20 HydrophobicContact CB-CD2 3.93Å; L15-L20 HydrophobicContact CD1-CD2 3.84Å; L17-L20 HydrophobicContact CD1-CD1 4.14Å; L17-L20 WeakPolarHBondContact O-CB 3.24Å; L17-L20 PolarHBondContact O-N 3.39Å; L20-A22 PolarHBondContact O-N 2.86Å; L20-I24 HydrophobicContact CB-CG2 3.95Å; L20-I24 HydrophobicContact CD1-CG2 4.2Å
21	P	93.3	Very high	94.6	Very high	21 Å²	21	70.6 Å²	70.6	14%	0.136	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-56.1	135.9	175.6	-24.8	34.8	0	0	0	112.2	G23 I24 V34 N36 L102	P21-G23 PolarHBondContact O-N 2.88Å; P21-I24 WeakPolarHBondContact O-CB 3.46Å; P21-I24 WeakPolarHBondContact O-CG2 3.44Å; P21-I24 PolarHBondContact O-N 3.05Å; P21-V34 HydrophobicContact CB-CG1 3.88Å; P21-V34 HydrophobicContact CG-CG1 4.31Å; P21-N36 WeakPolarHBondContact CB-OD1 3.45Å; P21-N36 HydrophobicContact CG-CB 4.07Å; P21-N36 WeakPolarHBondContact CG-OD1 3.3Å; P21-L102 HydrophobicContact CG-CD1 4Å
22	A	92.8	Very high	94.5	Very high	99 Å²	99	71.5 Å²	71.5	82%	0.818	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	133.2	172.1	0	0	0	0	0	109.8	L20 V34	L20-A22 PolarHBondContact O-N 2.86Å; A22-V34 WeakPolarHBondContact O-CG2 3.41Å
23	G	94	Very high	94.6	Very high	10 Å²	10	75.7 Å²	75.7	10%	0.103	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-8.7	-178.8	0	0	0	0	0	115.5	P21 L25 T26	P21-G23 PolarHBondContact O-N 2.88Å; G23-L25 PolarHBondContact O-N 2.99Å; G23-T26 VanDerWaalsContact C-OG1 3.25Å; G23-T26 WeakPolarHBondContact CA-OG1 3.4Å; G23-T26 PolarHBondContact O-N 3.02Å; G23-T26 PolarHBondContact O-OG1 3.01Å
24	I	93.7	Very high	94.6	Very high	26 Å²	26	72.1 Å²	72.1	13%	0.133	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-39.1	-173.6	-167.6	73	0	0	0	114.6	L17 L20 P21 F31 V34 L52	L17-I24 HydrophobicContact CD1-CG2 4.28Å; L20-I24 HydrophobicContact CB-CG2 3.95Å; L20-I24 HydrophobicContact CD1-CG2 4.2Å; P21-I24 WeakPolarHBondContact O-CB 3.46Å; P21-I24 WeakPolarHBondContact O-CG2 3.44Å; P21-I24 PolarHBondContact O-N 3.05Å; I24-F31 HydrophobicContact CD1-CE2 4.01Å; I24-V34 HydrophobicContact CD1-CG1 4.41Å; I24-L52 HydrophobicContact CD1-CD1 3.75Å
25	L	93	Very high	94.7	Very high	86 Å²	86	68.2 Å²	68.2	45%	0.45	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	36.9	-179.2	-71.5	174.7	0	0	0	111.8	L17 G23 P59 I63	L17-L25 HydrophobicContact CD1-CD1 3.68Å; L17-L25 HydrophobicContact CD1-CG 4.5Å; G23-L25 PolarHBondContact O-N 2.99Å; L25-P59 HydrophobicContact CD2-CB 3.8Å; L25-I63 HydrophobicContact CD2-CD1 3.95Å
26	T	90.3	Very high	94.7	Very high	47 Å²	47	67.9 Å²	67.9	29%	0.288	38%	0.376	S	S	.	.	S	Bend	trans	-119.2	-157.2	-173.1	68.4	0	0	0	0	112.1	G23 E30	G23-T26 VanDerWaalsContact C-OG1 3.25Å; G23-T26 WeakPolarHBondContact CA-OG1 3.4Å; G23-T26 PolarHBondContact O-N 3.02Å; G23-T26 PolarHBondContact O-OG1 3.01Å; T26-E30 WeakPolarHBondContact OG1-CB 3.3Å
27	S	93.1	Very high	94.9	Very high	45 Å²	45	66 Å²	66	32%	0.315	36%	0.36	S	S	.	.			trans	-63.3	157.6	176.5	69.1	0	0	0	0	112.4	Q29 E30 F31	S27-Q29 PolarHBondContact O-N 3.2Å; S27-E30 PolarHBondContact O-N 3.04Å; S27-E30 WeakPolarHBondContact OG-CG 3.29Å; S27-E30 PolarHBondContact OG-N 3.04Å; S27-E30 PolarHBondContact OG-OE1 3.1Å; S27-F31 WeakPolarHBondContact O-CB 3.07Å; S27-F31 PolarHBondContact O-N 3.33Å
28	R	95.6	Very high	95	Very high	67 Å²	67	63.7 Å²	63.7	25%	0.253	35%	0.348	S	S	.	.	H	α-helix	trans	-55.6	-38.6	174.2	178.7	64.9	-175	-145.6	14.1	111.8	F31 Q32 M55 V56 T58 E61	R28-F31 PolarHBondContact O-N 2.87Å; R28-Q32 WeakPolarHBondContact O-CG 3.43Å; R28-Q32 PolarHBondContact O-N 2.82Å; R28-Q32 VanDerWaalsContact O-N 3.09Å; R28-M55 PolarHBondContact NH2-O 2.89Å; R28-V56 PolarHBondContact NH1-O 3.12Å; R28-T58 HydrophobicContact CB-CG2 4.36Å; R28-T58 HydrophobicContact CG-CG2 4.49Å; R28-E61 IonicContact NH1-OE2 3.49Å; R28-E61 PolarHBondContact NH1-OE2 2.82Å
29	Q	95.4	Very high	95.2	Very high	133 Å²	133	57.6 Å²	57.6	62%	0.621	31%	0.313	S	S	*	.	H	α-helix	trans	-64.6	-44.5	-178.8	-70.4	71.9	22.5	0	0	111.6	S27 N33	S27-Q29 PolarHBondContact O-N 3.2Å; Q29-N33 PolarHBondContact O-ND2 3.03Å
30	E	95.8	Very high	95.4	Very high	96 Å²	96	57.2 Å²	57.2	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-69.9	-41.8	175.6	-75.5	166	-100.4	0	0	111.9	T26 S27 Q32 N33	T26-E30 WeakPolarHBondContact OG1-CB 3.3Å; S27-E30 PolarHBondContact O-N 3.04Å; S27-E30 WeakPolarHBondContact OG-CG 3.29Å; S27-E30 PolarHBondContact OG-N 3.04Å; S27-E30 PolarHBondContact OG-OE1 3.1Å; E30-Q32 PolarHBondContact O-N 2.75Å; E30-N33 WeakPolarHBondContact O-CB 3.25Å; E30-N33 PolarHBondContact O-N 3Å
31	F	97.3	Very high	95.6	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-32.3	177.8	-175.9	-100.3	0	0	0	112.8	I24 S27 R28 N33 V34 L52 M55 T58 P59	I24-F31 HydrophobicContact CD1-CE2 4.01Å; S27-F31 WeakPolarHBondContact O-CB 3.07Å; S27-F31 PolarHBondContact O-N 3.33Å; R28-F31 PolarHBondContact O-N 2.87Å; F31-N33 PolarHBondContact O-N 2.88Å; F31-V34 HydrophobicContact CD2-CG2 4.28Å; F31-V34 VanDerWaalsContact O-CB 3.32Å; F31-V34 WeakPolarHBondContact O-CB 3.28Å; F31-V34 PolarHBondContact O-N 2.96Å; F31-L52 WeakPolarHBondContact CE1-O 3.43Å; F31-L52 HydrophobicContact CZ-CB 4.42Å; F31-L52 VanDerWaalsContact CZ-O 3.25Å; F31-L52 WeakPolarHBondContact CZ-O 3.35Å; F31-M55 HydrophobicContact CE1-CB 4.17Å; F31-M55 HydrophobicContact CZ-CB 4.33Å; F31-M55 HydrophobicContact CZ-CG 4.43Å; F31-M55 HydrophobicContact CZ-SD 3.93Å; F31-T58 HydrophobicContact CB-CG2 3.84Å; F31-T58 HydrophobicContact CD1-CG2 3.48Å; F31-T58 VanDerWaalsContact CD1-CG2 3.48Å; F31-T58 HydrophobicContact CE1-CG2 4.18Å; F31-T58 HydrophobicContact CG-CG2 3.7Å; F31-P59 HydrophobicContact CE2-CG 3.89Å; F31-P59 HydrophobicContact CZ-CG 4.38Å
32	Q	96.2	Very high	95.9	Very high	106 Å²	106	57 Å²	57	50%	0.495	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.9	174.8	-79.7	-174.5	-6.9	0	0	113.3	R28 E30 V34 N53	R28-Q32 WeakPolarHBondContact O-CG 3.43Å; R28-Q32 PolarHBondContact O-N 2.82Å; R28-Q32 VanDerWaalsContact O-N 3.09Å; E30-Q32 PolarHBondContact O-N 2.75Å; Q32-V34 VanDerWaalsContact C-N 3.32Å; Q32-N53 PolarHBondContact O-ND2 3.49Å
33	N	96.6	Very high	96.2	Very high	121 Å²	121	55.9 Å²	55.9	65%	0.647	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.2	177.1	-59.4	-45.2	0	0	0	113.2	Q29 E30 F31 N35	Q29-N33 PolarHBondContact O-ND2 3.03Å; E30-N33 WeakPolarHBondContact O-CB 3.25Å; E30-N33 PolarHBondContact O-N 3Å; F31-N33 PolarHBondContact O-N 2.88Å; N33-N35 PolarHBondContact O-N 3.02Å; N33-N35 VanDerWaalsContact O-N 3.08Å; N33-N35 PolarHBondContact O-ND2 2.94Å
34	V	96.5	Very high	96.3	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.012	31%	0.314	C	S	.	.			trans	-76.3	95.7	176.2	-176.7	0	0	0	0	109.4	P21 A22 I24 F31 Q32 N36 L52 N53	P21-V34 HydrophobicContact CB-CG1 3.88Å; P21-V34 HydrophobicContact CG-CG1 4.31Å; A22-V34 WeakPolarHBondContact O-CG2 3.41Å; I24-V34 HydrophobicContact CD1-CG1 4.41Å; F31-V34 HydrophobicContact CD2-CG2 4.28Å; F31-V34 VanDerWaalsContact O-CB 3.32Å; F31-V34 WeakPolarHBondContact O-CB 3.28Å; F31-V34 PolarHBondContact O-N 2.96Å; Q32-V34 VanDerWaalsContact C-N 3.32Å; V34-N36 HydrophobicContact CG1-CB 4.47Å; V34-L52 HydrophobicContact CG1-CB 4.11Å; V34-L52 HydrophobicContact CG1-CD1 3.97Å; V34-N53 VanDerWaalsContact O-CB 3.3Å; V34-N53 WeakPolarHBondContact O-CB 3.34Å; V34-N53 PolarHBondContact O-N 3.02Å
35	N	96.6	Very high	96.6	Very high	83 Å²	83	66 Å²	66	44%	0.444	33%	0.332	S	S	.	.			trans	-93.4	3.2	-174.2	-78.7	-73.2	0	0	0	114.5	N33 N53	N33-N35 PolarHBondContact O-N 3.02Å; N33-N35 VanDerWaalsContact O-N 3.08Å; N33-N35 PolarHBondContact O-ND2 2.94Å; N35-N53 PolarHBondContact OD1-ND2 3.02Å
36	N	97.1	Very high	96.8	Very high	39 Å²	39	66.2 Å²	66.2	21%	0.209	33%	0.331	C	S	.	.			trans	-59.9	148.4	179.6	-62.5	82.8	0	0	0	112.2	P21 V34 K51 L52 L99 D100	P21-N36 WeakPolarHBondContact CB-OD1 3.45Å; P21-N36 HydrophobicContact CG-CB 4.07Å; P21-N36 WeakPolarHBondContact CG-OD1 3.3Å; V34-N36 HydrophobicContact CG1-CB 4.47Å; N36-K51 CarbonylContact O-C 3.53Å; N36-K51 WeakPolarHBondContact O-CA 3.38Å; N36-L52 HydrophobicContact CB-CD1 4.1Å; N36-L52 HydrophobicContact CB-CG 4.4Å; N36-L52 WeakPolarHBondContact O-CG 2.88Å; N36-L52 PolarHBondContact O-N 2.91Å; N36-L99 HydrophobicContact CB-CD1 4Å; N36-D100 WeakPolarHBondContact CA-OD2 3.41Å; N36-D100 WeakPolarHBondContact CB-OD2 3.12Å; N36-D100 VanDerWaalsContact CG-OD2 3.28Å; N36-D100 PolarHBondContact ND2-OD2 3.25Å
37	E	97.7	Very high	97.2	Very high	46 Å²	46	69.8 Å²	69.8	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.9	-175	-63.1	-171.2	152.1	0	0	112.9	R49 S50 K51 L99 D100	E37-R49 IonicContact OE2-CZ 3.75Å; E37-R49 IonicContact OE2-NH1 2.73Å; E37-R49 PolarHBondContact OE2-NH1 3.41Å; E37-S50 CarbonylContact C-O 3.53Å; E37-S50 VanDerWaalsContact CA-O 3.28Å; E37-S50 WeakPolarHBondContact CA-O 3.38Å; E37-K51 HydrophobicContact CG-CB 4.48Å; E37-K51 HydrophobicContact CG-CG 3.67Å; E37-K51 WeakPolarHBondContact OE1-CG 3.45Å; E37-L99 CarbonylContact O-C 3.56Å; E37-L99 WeakPolarHBondContact O-CA 3.14Å; E37-D100 WeakPolarHBondContact CA-OD1 3.26Å; E37-D100 WeakPolarHBondContact CB-OD1 3.38Å; E37-D100 VanDerWaalsContact N-CG 3.33Å; E37-D100 PolarHBondContact N-OD1 2.74Å; E37-D100 PolarHBondContact N-OD2 2.99Å; E37-D100 PolarHBondContact O-N 2.99Å
38	I	97.9	Very high	97.5	Very high	52 Å²	52	68.9 Å²	68.9	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.1	163.4	54.3	169.3	0	0	0	109.3	R49 S50 L52 P83 G98 L99	I38-R49 CarbonylContact O-C 3.57Å; I38-R49 VanDerWaalsContact O-CA 3.29Å; I38-R49 WeakPolarHBondContact O-CA 3.37Å; I38-S50 WeakPolarHBondContact CG1-O 3.29Å; I38-S50 PolarHBondContact N-O 3.1Å; I38-S50 PolarHBondContact O-N 3.26Å; I38-L52 HydrophobicContact CG2-CD2 3.73Å; I38-P83 HydrophobicContact CD1-CG 3.87Å; I38-P83 HydrophobicContact CG1-CG 4.41Å; I38-G98 WeakPolarHBondContact CA-O 3.49Å; I38-L99 HydrophobicContact CG2-CB 4.45Å; I38-L99 HydrophobicContact CG2-CD1 3.82Å
39	W	98.4	Very high	97.6	Very high	33 Å²	33	71.2 Å²	71.2	13%	0.125	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.5	179.7	59.3	-92.9	0	0	0	111.3	K41 Q48 E96 A97 G98 D100	W39-K41 HydrophobicContact CE3-CD 4.37Å; W39-K41 HydrophobicContact CE3-CG 4.07Å; W39-K41 HydrophobicContact CZ3-CD 4Å; W39-K41 HydrophobicContact CZ3-CG 4.05Å; W39-Q48 CarbonylContact C-O 3.6Å; W39-Q48 VanDerWaalsContact CA-O 3.28Å; W39-Q48 WeakPolarHBondContact CA-O 3.44Å; W39-E96 HydrophobicContact CH2-CB 4.47Å; W39-E96 HydrophobicContact CH2-CG 3.64Å; W39-E96 HydrophobicContact CZ3-CB 4.11Å; W39-E96 HydrophobicContact CZ3-CG 3.77Å; W39-E96 WeakPolarHBondContact CZ3-O 3.18Å; W39-A97 VanDerWaalsContact O-CA 3.25Å; W39-A97 WeakPolarHBondContact O-CA 3.39Å; W39-A97 WeakPolarHBondContact O-CB 3.3Å; W39-G98 PolarHBondContact N-O 2.72Å; W39-G98 PolarHBondContact O-N 2.71Å; W39-D100 PolarHBondContact NE1-O 3.37Å
40	L	98.7	Very high	97.7	Very high	38 Å²	38	66.4 Å²	66.4	20%	0.199	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	132.5	174.2	-173.8	152.3	0	0	0	110.4	V42 R47 Q48 I95 E96 A97	L40-V42 HydrophobicContact CD2-CG2 3.69Å; L40-R47 HydrophobicContact CD2-CB 4.39Å; L40-R47 PolarHBondContact O-N 3.13Å; L40-Q48 HydrophobicContact CB-CB 4.14Å; L40-Q48 PolarHBondContact N-O 2.83Å; L40-Q48 PolarHBondContact O-N 3.36Å; L40-I95 HydrophobicContact CD1-CG2 3.94Å; L40-I95 HydrophobicContact CD2-CG2 4.14Å; L40-I95 HydrophobicContact CG-CG2 3.88Å; L40-E96 CarbonylContact C-O 3.6Å; L40-E96 WeakPolarHBondContact CA-O 3.29Å; L40-A97 HydrophobicContact CB-CB 4.13Å; L40-A97 HydrophobicContact CD1-CB 4.13Å; L40-A97 HydrophobicContact CG-CB 4.05Å
41	K	98.6	Very high	97.8	Very high	60 Å²	60	65.9 Å²	65.9	26%	0.261	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.2	172.8	-59.5	173.9	-169.7	164.7	0	110.2	W39 V45 E46 I95 E96	W39-K41 HydrophobicContact CE3-CD 4.37Å; W39-K41 HydrophobicContact CE3-CG 4.07Å; W39-K41 HydrophobicContact CZ3-CD 4Å; W39-K41 HydrophobicContact CZ3-CG 4.05Å; K41-V45 CarbonylContact C-O 3.55Å; K41-V45 VanDerWaalsContact CA-O 3.24Å; K41-V45 WeakPolarHBondContact CA-O 3.44Å; K41-E46 HydrophobicContact CG-CB 4.34Å; K41-I95 WeakPolarHBondContact O-CA 3.25Å; K41-E96 HydrophobicContact CB-CB 4.43Å; K41-E96 PolarHBondContact N-O 2.78Å; K41-E96 IonicContact NZ-OE2 3.69Å; K41-E96 PolarHBondContact O-N 2.89Å
42	V	98.6	Very high	97.8	Very high	6 Å²	6	66.5 Å²	66.5	4%	0.036	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.7	169.5	-177.8	0	0	0	0	107.2	L40 Q44 V45 R47 L89 D93 E94	L40-V42 HydrophobicContact CD2-CG2 3.69Å; V42-Q44 VanDerWaalsContact C-N 3.27Å; V42-Q44 PolarHBondContact O-N 3.22Å; V42-V45 PolarHBondContact N-O 3.02Å; V42-V45 WeakPolarHBondContact O-CB 3.28Å; V42-V45 PolarHBondContact O-N 3.49Å; V42-R47 HydrophobicContact CB-CG 4.12Å; V42-R47 HydrophobicContact CG2-CG 3.84Å; V42-L89 HydrophobicContact CB-CD2 4.42Å; V42-L89 HydrophobicContact CG1-CD2 3.87Å; V42-L89 HydrophobicContact CG2-CD2 3.6Å; V42-D93 HydrophobicContact CG1-CB 4.05Å; V42-E94 CarbonylContact C-O 3.54Å; V42-E94 WeakPolarHBondContact CA-O 3.33Å
43	N	98.2	Very high	97.8	Very high	76 Å²	76	62.9 Å²	62.9	41%	0.406	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	49.5	-175.3	-56.1	-36.3	0	0	0	111.6	V45 D93 E94	N43-V45 PolarHBondContact O-N 3.12Å; N43-D93 PolarHBondContact ND2-OD1 2.73Å; N43-E94 PolarHBondContact N-O 2.92Å; N43-E94 PolarHBondContact OD1-N 2.78Å
44	Q	97.8	Very high	97.8	Very high	165 Å²	165	63.4 Å²	63.4	77%	0.771	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	-0.5	-177.7	-52.8	174.5	8.6	0	0	115.9	V42	V42-Q44 VanDerWaalsContact C-N 3.27Å; V42-Q44 PolarHBondContact O-N 3.22Å
45	V	98.3	Very high	97.8	Very high	84 Å²	84	65.2 Å²	65.2	51%	0.509	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.8	175.7	-178.4	0	0	0	0	109.7	K41 V42 N43 R47	K41-V45 CarbonylContact C-O 3.55Å; K41-V45 VanDerWaalsContact CA-O 3.24Å; K41-V45 WeakPolarHBondContact CA-O 3.44Å; V42-V45 PolarHBondContact N-O 3.02Å; V42-V45 WeakPolarHBondContact O-CB 3.28Å; V42-V45 PolarHBondContact O-N 3.49Å; N43-V45 PolarHBondContact O-N 3.12Å; V45-R47 PolarHBondContact O-N 3.37Å
46	E	98.2	Very high	97.8	Very high	90 Å²	90	66.9 Å²	66.9	42%	0.421	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	129.7	175.1	-170.3	173.1	103.3	0	0	110.8	K41 R49	K41-E46 HydrophobicContact CG-CB 4.34Å; E46-R49 VanDerWaalsContact CD-NE 3.35Å; E46-R49 IonicContact OE1-NE 3.1Å; E46-R49 PolarHBondContact OE1-NE 2.88Å; E46-R49 VanDerWaalsContact OE1-NE 3.1Å; E46-R49 IonicContact OE2-CZ 3.32Å; E46-R49 VanDerWaalsContact OE2-CZ 3.32Å; E46-R49 IonicContact OE2-NE 2.96Å; E46-R49 PolarHBondContact OE2-NE 2.84Å; E46-R49 IonicContact OE2-NH2 2.78Å; E46-R49 PolarHBondContact OE2-NH2 2.79Å
47	R	98.3	Very high	97.8	Very high	122 Å²	122	71.7 Å²	71.7	46%	0.46	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-33.7	179.8	-67	-59.5	-167.3	92.1	6.7	112.7	L40 V42 V45 G85	L40-R47 HydrophobicContact CD2-CB 4.39Å; L40-R47 PolarHBondContact O-N 3.13Å; V42-R47 HydrophobicContact CB-CG 4.12Å; V42-R47 HydrophobicContact CG2-CG 3.84Å; V45-R47 PolarHBondContact O-N 3.37Å; R47-G85 WeakPolarHBondContact O-CA 3.37Å
48	Q	98.7	Very high	97.7	Very high	27 Å²	27	69.5 Å²	69.5	13%	0.126	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.3	179.7	-55.3	-171	-96.3	0	0	109.9	W39 L40 T82 P83 A84 G85	W39-Q48 CarbonylContact C-O 3.6Å; W39-Q48 VanDerWaalsContact CA-O 3.28Å; W39-Q48 WeakPolarHBondContact CA-O 3.44Å; L40-Q48 HydrophobicContact CB-CB 4.14Å; L40-Q48 PolarHBondContact N-O 2.83Å; L40-Q48 PolarHBondContact O-N 3.36Å; Q48-T82 PolarHBondContact NE2-OG1 2.74Å; Q48-P83 HydrophobicContact CB-CG 4.28Å; Q48-P83 PolarHBondContact NE2-O 3.11Å; Q48-A84 PolarHBondContact NE2-O 3.43Å; Q48-G85 WeakPolarHBondContact CG-O 3.3Å
49	R	98.3	Very high	97.7	Very high	116 Å²	116	67.9 Å²	67.9	44%	0.438	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	137.3	170.1	179.6	175.5	-73.9	-101.9	-3.5	109.5	E37 I38 E46	E37-R49 IonicContact OE2-CZ 3.75Å; E37-R49 IonicContact OE2-NH1 2.73Å; E37-R49 PolarHBondContact OE2-NH1 3.41Å; I38-R49 CarbonylContact O-C 3.57Å; I38-R49 VanDerWaalsContact O-CA 3.29Å; I38-R49 WeakPolarHBondContact O-CA 3.37Å; E46-R49 VanDerWaalsContact CD-NE 3.35Å; E46-R49 IonicContact OE1-NE 3.1Å; E46-R49 PolarHBondContact OE1-NE 2.88Å; E46-R49 VanDerWaalsContact OE1-NE 3.1Å; E46-R49 IonicContact OE2-CZ 3.32Å; E46-R49 VanDerWaalsContact OE2-CZ 3.32Å; E46-R49 IonicContact OE2-NE 2.96Å; E46-R49 PolarHBondContact OE2-NE 2.84Å; E46-R49 IonicContact OE2-NH2 2.78Å; E46-R49 PolarHBondContact OE2-NH2 2.79Å
50	S	98.2	Very high	97.6	Very high	32 Å²	32	68 Å²	68	22%	0.224	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	152.4	171.1	-157.6	0	0	0	0	112.1	E37 I38 P83	E37-S50 CarbonylContact C-O 3.53Å; E37-S50 VanDerWaalsContact CA-O 3.28Å; E37-S50 WeakPolarHBondContact CA-O 3.38Å; I38-S50 WeakPolarHBondContact CG1-O 3.29Å; I38-S50 PolarHBondContact N-O 3.1Å; I38-S50 PolarHBondContact O-N 3.26Å; S50-P83 VanDerWaalsContact CB-CB 3.41Å
51	K	97.6	Very high	97.5	Very high	84 Å²	84	68.9 Å²	68.9	37%	0.365	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.5	169.7	-65.9	-179.7	173.6	-170.5	0	111.2	N36 E37 N53 M54	N36-K51 CarbonylContact O-C 3.53Å; N36-K51 WeakPolarHBondContact O-CA 3.38Å; E37-K51 HydrophobicContact CG-CB 4.48Å; E37-K51 HydrophobicContact CG-CG 3.67Å; E37-K51 WeakPolarHBondContact OE1-CG 3.45Å; K51-N53 VanDerWaalsContact C-N 3.3Å; K51-N53 WeakPolarHBondContact CB-OD1 3.12Å; K51-N53 PolarHBondContact O-N 3.01Å; K51-M54 HydrophobicContact CB-CG 4.12Å; K51-M54 VanDerWaalsContact O-CB 3.3Å; K51-M54 WeakPolarHBondContact O-CB 3.28Å; K51-M54 PolarHBondContact O-N 3.38Å; K51-M54 VanDerWaalsContact O-N 3.13Å
52	L	97	Very high	97.4	Very high	14 Å²	14	67.6 Å²	67.6	7%	0.073	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-61	-37.4	177.6	-66.6	-173.2	0	0	0	112.6	I24 F31 V34 N36 I38 M54 M55 L99	I24-L52 HydrophobicContact CD1-CD1 3.75Å; F31-L52 WeakPolarHBondContact CE1-O 3.43Å; F31-L52 HydrophobicContact CZ-CB 4.42Å; F31-L52 VanDerWaalsContact CZ-O 3.25Å; F31-L52 WeakPolarHBondContact CZ-O 3.35Å; V34-L52 HydrophobicContact CG1-CB 4.11Å; V34-L52 HydrophobicContact CG1-CD1 3.97Å; N36-L52 HydrophobicContact CB-CD1 4.1Å; N36-L52 HydrophobicContact CB-CG 4.4Å; N36-L52 WeakPolarHBondContact O-CG 2.88Å; N36-L52 PolarHBondContact O-N 2.91Å; I38-L52 HydrophobicContact CG2-CD2 3.73Å; L52-M54 PolarHBondContact O-N 2.95Å; L52-M55 HydrophobicContact CD2-CE 3.98Å; L52-M55 VanDerWaalsContact O-CG 3.29Å; L52-M55 WeakPolarHBondContact O-CG 3.39Å; L52-M55 PolarHBondContact O-N 3.28Å; L52-M55 VanDerWaalsContact O-N 3.12Å; L52-L99 HydrophobicContact CD1-CD1 3.87Å; L52-L99 HydrophobicContact CD2-CD1 4.25Å; L52-L99 HydrophobicContact CG-CD1 4.13Å
53	N	96.5	Very high	97.3	Very high	31 Å²	31	70.4 Å²	70.4	17%	0.166	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-65	-5.2	177.3	62.9	6.5	0	0	0	115	Q32 V34 N35 K51 M55	Q32-N53 PolarHBondContact O-ND2 3.49Å; V34-N53 VanDerWaalsContact O-CB 3.3Å; V34-N53 WeakPolarHBondContact O-CB 3.34Å; V34-N53 PolarHBondContact O-N 3.02Å; N35-N53 PolarHBondContact OD1-ND2 3.02Å; K51-N53 VanDerWaalsContact C-N 3.3Å; K51-N53 WeakPolarHBondContact CB-OD1 3.12Å; K51-N53 PolarHBondContact O-N 3.01Å; N53-M55 VanDerWaalsContact C-N 3.27Å
54	M	97.1	Very high	97.2	Very high	131 Å²	131	69.5 Å²	69.5	65%	0.645	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-79.9	-4.8	172.7	-61.9	-59.4	-59.9	0	0	113.4	K51 L52 V56	K51-M54 HydrophobicContact CB-CG 4.12Å; K51-M54 VanDerWaalsContact O-CB 3.3Å; K51-M54 WeakPolarHBondContact O-CB 3.28Å; K51-M54 PolarHBondContact O-N 3.38Å; K51-M54 VanDerWaalsContact O-N 3.13Å; L52-M54 PolarHBondContact O-N 2.95Å; M54-V56 PolarHBondContact O-N 2.82Å
55	M	97	Very high	97.1	Very high	40 Å²	40	64.3 Å²	64.3	20%	0.197	32%	0.321	C	S	.	.			trans	-61.8	136.3	175.3	-68	179	-175.6	0	0	111.7	R28 F31 L52 N53 W57 P59 T80	R28-M55 PolarHBondContact NH2-O 2.89Å; F31-M55 HydrophobicContact CE1-CB 4.17Å; F31-M55 HydrophobicContact CZ-CB 4.33Å; F31-M55 HydrophobicContact CZ-CG 4.43Å; F31-M55 HydrophobicContact CZ-SD 3.93Å; L52-M55 HydrophobicContact CD2-CE 3.98Å; L52-M55 VanDerWaalsContact O-CG 3.29Å; L52-M55 WeakPolarHBondContact O-CG 3.39Å; L52-M55 PolarHBondContact O-N 3.28Å; L52-M55 VanDerWaalsContact O-N 3.12Å; N53-M55 VanDerWaalsContact C-N 3.27Å; M55-W57 VanDerWaalsContact C-N 3.34Å; M55-W57 WeakPolarHBondContact CB-O 3.23Å; M55-P59 HydrophobicContact SD-CG 4.49Å; M55-T80 WeakPolarHBondContact CE-OG1 3.48Å
56	V	96.1	Very high	97.1	Very high	118 Å²	118	62.5 Å²	62.5	72%	0.715	31%	0.308	S	S	*	.	S	Bend	trans	-64.4	-42.2	175.4	178.1	0	0	0	0	110.6	R28 M54	R28-V56 PolarHBondContact NH1-O 3.12Å; M54-V56 PolarHBondContact O-N 2.82Å
57	W	96.4	Very high	97.1	Very high	140 Å²	140	61.5 Å²	61.5	53%	0.53	31%	0.308	S	S	.	.	S	Bend	trans	-116.7	136.2	174.7	-57.5	103.9	0	0	0	109.6	M55 E61 L62 I65	M55-W57 VanDerWaalsContact C-N 3.34Å; M55-W57 WeakPolarHBondContact CB-O 3.23Å; W57-E61 VanDerWaalsContact CA-OE2 3.29Å; W57-E61 WeakPolarHBondContact CA-OE2 3.24Å; W57-E61 HydrophobicContact CB-CB 4.28Å; W57-E61 HydrophobicContact CE3-CB 4.21Å; W57-L62 HydrophobicContact CB-CD2 3.8Å; W57-L62 HydrophobicContact CB-CG 3.86Å; W57-L62 HydrophobicContact CG-CD2 4.29Å; W57-I65 HydrophobicContact CD2-CD1 4.14Å; W57-I65 HydrophobicContact CE3-CD1 4.09Å; W57-I65 HydrophobicContact CZ3-CD1 4.37Å
58	T	96.7	Very high	97	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	32%	0.319	C	S	.	.			trans	-68.6	159.9	173.7	75.7	0	0	0	0	110.8	R28 F31 A60 E61 L62	R28-T58 HydrophobicContact CB-CG2 4.36Å; R28-T58 HydrophobicContact CG-CG2 4.49Å; F31-T58 HydrophobicContact CB-CG2 3.84Å; F31-T58 HydrophobicContact CD1-CG2 3.48Å; F31-T58 VanDerWaalsContact CD1-CG2 3.48Å; F31-T58 HydrophobicContact CE1-CG2 4.18Å; F31-T58 HydrophobicContact CG-CG2 3.7Å; T58-A60 PolarHBondContact O-N 3.3Å; T58-A60 PolarHBondContact OG1-N 3.37Å; T58-E61 PolarHBondContact N-OE2 3.4Å; T58-E61 PolarHBondContact O-N 2.7Å; T58-E61 VanDerWaalsContact O-N 3.1Å; T58-E61 WeakPolarHBondContact OG1-CG 3.43Å; T58-E61 PolarHBondContact OG1-N 2.89Å; T58-E61 VanDerWaalsContact OG1-N 3.11Å; T58-L62 WeakPolarHBondContact O-CG 3.43Å; T58-L62 PolarHBondContact O-N 2.97Å
59	P	96.6	Very high	97	Very high	18 Å²	18	71.5 Å²	71.5	12%	0.117	35%	0.349	C	S	.	.	H	α-helix	trans	-52.7	-40.4	171.7	-30.4	38.3	0	0	0	113.4	L25 F31 M55 L62 I63	L25-P59 HydrophobicContact CD2-CB 3.8Å; F31-P59 HydrophobicContact CE2-CG 3.89Å; F31-P59 HydrophobicContact CZ-CG 4.38Å; M55-P59 HydrophobicContact SD-CG 4.49Å; P59-L62 PolarHBondContact O-N 2.75Å; P59-I63 VanDerWaalsContact O-CG1 3.3Å; P59-I63 WeakPolarHBondContact O-CG1 3.48Å; P59-I63 PolarHBondContact O-N 2.95Å
60	A	96.1	Very high	96.9	Very high	34 Å²	34	71.3 Å²	71.3	28%	0.281	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-41.5	176.3	0	0	0	0	0	112.6	T58 S64	T58-A60 PolarHBondContact O-N 3.3Å; T58-A60 PolarHBondContact OG1-N 3.37Å; A60-S64 PolarHBondContact O-N 3.35Å; A60-S64 VanDerWaalsContact O-N 3.07Å
61	E	96.8	Very high	96.9	Very high	58 Å²	58	74.6 Å²	74.6	27%	0.271	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-43.4	175.1	-71.1	169.2	161.1	0	0	111.4	R28 W57 T58 S64 I65	R28-E61 IonicContact NH1-OE2 3.49Å; R28-E61 PolarHBondContact NH1-OE2 2.82Å; W57-E61 VanDerWaalsContact CA-OE2 3.29Å; W57-E61 WeakPolarHBondContact CA-OE2 3.24Å; W57-E61 HydrophobicContact CB-CB 4.28Å; W57-E61 HydrophobicContact CE3-CB 4.21Å; T58-E61 PolarHBondContact N-OE2 3.4Å; T58-E61 PolarHBondContact O-N 2.7Å; T58-E61 VanDerWaalsContact O-N 3.1Å; T58-E61 WeakPolarHBondContact OG1-CG 3.43Å; T58-E61 PolarHBondContact OG1-N 2.89Å; T58-E61 VanDerWaalsContact OG1-N 3.11Å; E61-S64 WeakPolarHBondContact O-CB 3.32Å; E61-S64 PolarHBondContact O-N 3.17Å; E61-I65 VanDerWaalsContact O-CG1 3.28Å; E61-I65 WeakPolarHBondContact O-CG1 3.39Å; E61-I65 PolarHBondContact O-N 3.43Å
62	L	97.2	Very high	96.9	Very high	32 Å²	32	73.6 Å²	73.6	17%	0.168	38%	0.377	C	S	.	.	H	α-helix	trans	-60.3	-47.5	177.2	-72.3	173.6	0	0	0	111.8	W57 T58 P59 S64 I65 I66 T80	W57-L62 HydrophobicContact CB-CD2 3.8Å; W57-L62 HydrophobicContact CB-CG 3.86Å; W57-L62 HydrophobicContact CG-CD2 4.29Å; T58-L62 WeakPolarHBondContact O-CG 3.43Å; T58-L62 PolarHBondContact O-N 2.97Å; P59-L62 PolarHBondContact O-N 2.75Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.19Å; L62-I65 PolarHBondContact O-N 2.93Å; L62-I66 WeakPolarHBondContact O-CB 3.38Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.26Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3Å; L62-T80 HydrophobicContact CD1-CG2 3.66Å
63	I	96.4	Very high	96.9	Very high	65 Å²	65	79.3 Å²	79.3	33%	0.333	40%	0.403	S	S	.	.	H	α-helix	trans	-58.2	-46.9	176.5	-67.7	163.9	0	0	0	110.1	L25 P59 I65 I66 T67 L72 I78	L25-I63 HydrophobicContact CD2-CD1 3.95Å; P59-I63 VanDerWaalsContact O-CG1 3.3Å; P59-I63 WeakPolarHBondContact O-CG1 3.48Å; P59-I63 PolarHBondContact O-N 2.95Å; I63-I65 VanDerWaalsContact C-N 3.31Å; I63-I65 PolarHBondContact O-N 3.28Å; I63-I66 PolarHBondContact O-N 3.08Å; I63-T67 HydrophobicContact CG2-CG2 4.12Å; I63-T67 WeakPolarHBondContact O-CB 3.47Å; I63-T67 VanDerWaalsContact O-CG2 3.24Å; I63-T67 WeakPolarHBondContact O-CG2 3.41Å; I63-T67 PolarHBondContact O-N 3.25Å; I63-T67 PolarHBondContact O-OG1 3.47Å; I63-L72 HydrophobicContact CG2-CD1 4.37Å; I63-I78 HydrophobicContact CG1-CD1 4.01Å
64	S	95.8	Very high	96.9	Very high	58 Å²	58	89.2 Å²	89.2	41%	0.406	44%	0.44	S	S	.	.	H	α-helix	trans	-59.2	-38.7	177.1	-174.8	0	0	0	0	113	A60 E61 L62 T67 K68	A60-S64 PolarHBondContact O-N 3.35Å; A60-S64 VanDerWaalsContact O-N 3.07Å; E61-S64 WeakPolarHBondContact O-CB 3.32Å; E61-S64 PolarHBondContact O-N 3.17Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.19Å; S64-T67 PolarHBondContact O-OG1 3.09Å; S64-K68 WeakPolarHBondContact O-CD 3.44Å; S64-K68 WeakPolarHBondContact O-CE 3.32Å; S64-K68 VanDerWaalsContact O-CG 3.32Å; S64-K68 WeakPolarHBondContact O-CG 3.42Å
65	I	96.6	Very high	96.9	Very high	55 Å²	55	86.4 Å²	86.4	28%	0.282	44%	0.444	S	S	.	.	H	α-helix	trans	-73.3	-42.9	179.7	-68.4	163.6	0	0	0	111.6	W57 E61 L62 I63	W57-I65 HydrophobicContact CD2-CD1 4.14Å; W57-I65 HydrophobicContact CE3-CD1 4.09Å; W57-I65 HydrophobicContact CZ3-CD1 4.37Å; E61-I65 VanDerWaalsContact O-CG1 3.28Å; E61-I65 WeakPolarHBondContact O-CG1 3.39Å; E61-I65 PolarHBondContact O-N 3.43Å; L62-I65 PolarHBondContact O-N 2.93Å; I63-I65 VanDerWaalsContact C-N 3.31Å; I63-I65 PolarHBondContact O-N 3.28Å
66	I	97.5	Very high	96.9	Very high	47 Å²	47	88.6 Å²	88.6	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-67.1	-46.6	-177.7	-70.3	163.4	0	0	0	110.2	L62 I63 K68 R69 I70 L72 I78	L62-I66 WeakPolarHBondContact O-CB 3.38Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.26Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3Å; I63-I66 PolarHBondContact O-N 3.08Å; I66-K68 PolarHBondContact O-N 3.26Å; I66-K68 VanDerWaalsContact O-N 3.12Å; I66-R69 PolarHBondContact O-N 2.92Å; I66-I70 PolarHBondContact O-N 3.01Å; I66-L72 HydrophobicContact CG2-CD2 4.13Å; I66-I78 HydrophobicContact CD1-CD1 3.81Å; I66-I78 HydrophobicContact CD1-CG1 4.1Å; I66-I78 HydrophobicContact CD1-CG2 3.6Å
67	T	97.6	Very high	97	Very high	69 Å²	69	89 Å²	89	42%	0.423	45%	0.454	S	S	.	.	H	α-helix	trans	-64.8	-16.8	-177.7	51.9	0	0	0	0	114.3	I63 S64 R69 I70 L72	I63-T67 HydrophobicContact CG2-CG2 4.12Å; I63-T67 WeakPolarHBondContact O-CB 3.47Å; I63-T67 VanDerWaalsContact O-CG2 3.24Å; I63-T67 WeakPolarHBondContact O-CG2 3.41Å; I63-T67 PolarHBondContact O-N 3.25Å; I63-T67 PolarHBondContact O-OG1 3.47Å; S64-T67 PolarHBondContact O-OG1 3.09Å; T67-R69 PolarHBondContact O-N 3.23Å; T67-I70 WeakPolarHBondContact CA-O 3.44Å; T67-L72 HydrophobicContact CG2-CD1 3.62Å; T67-L72 HydrophobicContact CG2-CG 3.99Å
68	K	98	Very high	97	Very high	158 Å²	158	85.2 Å²	85.2	69%	0.687	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.2	169.8	-71.4	168.6	-171.3	178.2	0	113.5	S64 I66	S64-K68 WeakPolarHBondContact O-CD 3.44Å; S64-K68 WeakPolarHBondContact O-CE 3.32Å; S64-K68 VanDerWaalsContact O-CG 3.32Å; S64-K68 WeakPolarHBondContact O-CG 3.42Å; I66-K68 PolarHBondContact O-N 3.26Å; I66-K68 VanDerWaalsContact O-N 3.12Å
69	R	97.3	Very high	97	Very high	201 Å²	201	91.6 Å²	91.6	76%	0.758	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-31	-173.8	-62.9	-175	179.4	98	-4.7	113.8	I66 T67	I66-R69 PolarHBondContact O-N 2.92Å; T67-R69 PolarHBondContact O-N 3.23Å
70	I	97.1	Very high	97	Very high	112 Å²	112	93.7 Å²	93.7	57%	0.574	49%	0.489	S	S	*	.	S	Bend	trans	-136.4	125.6	-175.3	-55.6	177.6	0	0	0	108.1	I66 T67	I66-I70 PolarHBondContact O-N 3.01Å; T67-I70 WeakPolarHBondContact CA-O 3.44Å
71	S	97.6	Very high	97	Very high	100 Å²	100	95.2 Å²	95.2	70%	0.699	51%	0.508	S	S	*	.			trans	-69	133.9	172.4	-59.9	0	0	0	0	110.2
72	L	97.4	Very high	97	Very high	64 Å²	64	96.9 Å²	96.9	34%	0.335	52%	0.523	S	S	.	.			trans	-93.7	139.3	173.7	-61	174	0	0	0	110.3	I63 I66 T67 D76 I78	I63-L72 HydrophobicContact CG2-CD1 4.37Å; I66-L72 HydrophobicContact CG2-CD2 4.13Å; T67-L72 HydrophobicContact CG2-CD1 3.62Å; T67-L72 HydrophobicContact CG2-CG 3.99Å; L72-D76 WeakPolarHBondContact CA-OD2 3.07Å; L72-D76 HydrophobicContact CD2-CB 4.31Å; L72-I78 HydrophobicContact CD1-CD1 3.85Å; L72-I78 HydrophobicContact CD2-CD1 4.25Å
73	Q	97.4	Very high	97	Very high	133 Å²	133	96.7 Å²	96.7	62%	0.621	52%	0.524	S	S	*	.			trans	-107.7	163.5	173	-60.6	-57.1	-52.6	0	0	111.1	G75 D76	Q73-G75 PolarHBondContact O-N 3.27Å; Q73-D76 PolarHBondContact N-OD2 3.27Å; Q73-D76 WeakPolarHBondContact O-CB 3.04Å; Q73-D76 PolarHBondContact O-N 2.85Å; Q73-D76 VanDerWaalsContact O-N 3.1Å
74	Y	96.7	Very high	97	Very high	240 Å²	240	97.8 Å²	97.8	94%	0.941	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	125.9	170.9	-73.5	-81.6	0	0	0	110.3
75	G	96.5	Very high	97.1	Very high	72 Å²	72	96.9 Å²	96.9	74%	0.742	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-7.3	-177.5	0	0	0	0	0	114.6	Q73	Q73-G75 PolarHBondContact O-N 3.27Å
76	D	97.7	Very high	97.2	Very high	85 Å²	85	99.1 Å²	99.1	46%	0.455	56%	0.558	S	S	.	*			trans	-65.2	141.6	173.1	-73.2	-6.1	0	0	0	111.3	L72 Q73	L72-D76 WeakPolarHBondContact CA-OD2 3.07Å; L72-D76 HydrophobicContact CD2-CB 4.31Å; Q73-D76 PolarHBondContact N-OD2 3.27Å; Q73-D76 WeakPolarHBondContact O-CB 3.04Å; Q73-D76 PolarHBondContact O-N 2.85Å; Q73-D76 VanDerWaalsContact O-N 3.1Å
77	L	96.8	Very high	97.1	Very high	128 Å²	128	99.1 Å²	99.1	67%	0.67	57%	0.57	S	S	*	*			trans	-117.3	135.6	-179.4	-63	177.7	0	0	0	110.9
78	I	96.9	Very high	97.1	Very high	59 Å²	59	101 Å²	101	30%	0.303	58%	0.583	S	S	.	*			trans	-113.7	116	175.4	-61.4	167.6	0	0	0	108.6	I63 I66 L72 T80	I63-I78 HydrophobicContact CG1-CD1 4.01Å; I66-I78 HydrophobicContact CD1-CD1 3.81Å; I66-I78 HydrophobicContact CD1-CG1 4.1Å; I66-I78 HydrophobicContact CD1-CG2 3.6Å; L72-I78 HydrophobicContact CD1-CD1 3.85Å; L72-I78 HydrophobicContact CD2-CD1 4.25Å; I78-T80 HydrophobicContact CG2-CG2 4.49Å
79	L	97.3	Very high	97.1	Very high	135 Å²	135	97.4 Å²	97.4	71%	0.707	57%	0.571	S	S	*	*			trans	-82.1	124.7	168.1	-75	73.8	0	0	0	108.7
80	T	96.6	Very high	97	Very high	62 Å²	62	97.2 Å²	97.2	38%	0.38	57%	0.57	S	S	.	*			trans	-92.9	1.3	-168.7	56.7	0	0	0	0	114.6	M55 L62 I78	M55-T80 WeakPolarHBondContact CE-OG1 3.48Å; L62-T80 HydrophobicContact CD1-CG2 3.66Å; I78-T80 HydrophobicContact CG2-CG2 4.49Å
81	G	95.9	Very high	97	Very high	66 Å²	66	95.4 Å²	95.4	68%	0.68	57%	0.568	S	S	*	*			trans	121.2	-173	179.8	0	0	0	0	0	112.7
82	T	96.7	Very high	97	Very high	94 Å²	94	95.9 Å²	95.9	58%	0.577	57%	0.57	S	S	*	*			trans	-137.9	143	179.5	-169.2	0	0	0	0	109.6	Q48 V86	Q48-T82 PolarHBondContact NE2-OG1 2.74Å; T82-V86 HydrophobicContact CG2-CG1 3.65Å
83	P	97.3	Very high	97.1	Very high	28 Å²	28	93.9 Å²	93.9	18%	0.182	56%	0.56	C	S	.	*			trans	-74.7	178.7	173.7	32.6	-35.6	0	0	0	111.5	I38 Q48 S50	I38-P83 HydrophobicContact CD1-CG 3.87Å; I38-P83 HydrophobicContact CG1-CG 4.41Å; Q48-P83 HydrophobicContact CB-CG 4.28Å; Q48-P83 PolarHBondContact NE2-O 3.11Å; S50-P83 VanDerWaalsContact CB-CB 3.41Å
84	A	97.2	Very high	97.1	Very high	87 Å²	87	90.6 Å²	90.6	72%	0.719	54%	0.544	S	S	*	.	S	Bend	trans	-57.9	159.4	172.5	0	0	0	0	0	112.2	Q48	Q48-A84 PolarHBondContact NE2-O 3.43Å
85	G	97.2	Very high	97.2	Very high	40 Å²	40	79.2 Å²	79.2	41%	0.412	50%	0.499	S	S	.	.			trans	98.8	11.2	177.1	0	0	0	0	0	115.4	R47 Q48	R47-G85 WeakPolarHBondContact O-CA 3.37Å; Q48-G85 WeakPolarHBondContact CG-O 3.3Å
86	V	97.4	Very high	97.3	Very high	101 Å²	101	78.7 Å²	78.7	61%	0.612	48%	0.478	S	S	*	.			trans	-57.7	141.1	170.3	-62.7	0	0	0	0	110.8	T82	T82-V86 HydrophobicContact CG2-CG1 3.65Å
87	G	96.8	Very high	97.3	Very high	47 Å²	47	75.5 Å²	75.5	49%	0.485	46%	0.463	S	S	.	.			trans	-162.1	170.4	-178.7	0	0	0	0	0	112
88	P	97.1	Very high	97.4	Very high	109 Å²	109	70 Å²	70	71%	0.708	44%	0.437	S	S	*	.			trans	-68.9	148.5	179	30.2	-35.2	0	0	0	111.2
89	L	97.2	Very high	97.4	Very high	82 Å²	82	68.2 Å²	68.2	43%	0.429	43%	0.428	S	S	.	.			trans	-110.9	156.3	167	-60.2	173.1	0	0	0	109	V42 D93 I95 V109	V42-L89 HydrophobicContact CB-CD2 4.42Å; V42-L89 HydrophobicContact CG1-CD2 3.87Å; V42-L89 HydrophobicContact CG2-CD2 3.6Å; L89-D93 WeakPolarHBondContact CA-OD2 3.39Å; L89-I95 HydrophobicContact CD1-CD1 4.15Å; L89-I95 HydrophobicContact CD1-CG1 4.12Å; L89-I95 HydrophobicContact CD2-CD1 4.48Å; L89-I95 HydrophobicContact CD2-CG1 4.21Å; L89-V109 HydrophobicContact CB-CG2 4.1Å; L89-V109 HydrophobicContact CD1-CG2 4.16Å
90	R	96.9	Very high	97.3	Very high	197 Å²	197	64 Å²	64	74%	0.743	41%	0.407	S	S	*	.			trans	-120.5	156.2	176.6	-63.9	178.9	178.6	164.3	-0.7	109.7	C92 D93 V109	R90-C92 PolarHBondContact O-N 2.9Å; R90-D93 PolarHBondContact N-OD2 3.4Å; R90-D93 VanDerWaalsContact O-CB 3.25Å; R90-D93 WeakPolarHBondContact O-CB 3.08Å; R90-D93 PolarHBondContact O-N 3.42Å; R90-V109 WeakPolarHBondContact O-CB 3.45Å
91	S	97.2	Very high	97.1	Very high	74 Å²	74	69.2 Å²	69.2	52%	0.517	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	141.6	170.9	-175.4	0	0	0	0	109.5	D93 E110	S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 PolarHBondContact O-N 3.1Å; S91-E110 PolarHBondContact OG-OXT 3.07Å
92	C	96.9	Very high	97.1	Very high	110 Å²	110	69.3 Å²	69.3	74%	0.743	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	4.9	-171.5	-48.4	0	0	0	0	116.4	R90 V109	R90-C92 PolarHBondContact O-N 2.9Å; C92-V109 PolarHBondContact N-O 3.19Å
93	D	98.4	Very high	97.1	Very high	23 Å²	23	66.5 Å²	66.5	12%	0.123	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-66.4	139.8	168.7	-79.3	-18.6	0	0	0	110.4	V42 N43 L89 R90 S91 I95 S108 V109	V42-D93 HydrophobicContact CG1-CB 4.05Å; N43-D93 PolarHBondContact ND2-OD1 2.73Å; L89-D93 WeakPolarHBondContact CA-OD2 3.39Å; R90-D93 PolarHBondContact N-OD2 3.4Å; R90-D93 VanDerWaalsContact O-CB 3.25Å; R90-D93 WeakPolarHBondContact O-CB 3.08Å; R90-D93 PolarHBondContact O-N 3.42Å; S91-D93 VanDerWaalsContact C-N 3.27Å; S91-D93 PolarHBondContact O-N 3.1Å; D93-I95 HydrophobicContact CB-CD1 4.45Å; D93-S108 WeakPolarHBondContact O-CA 3.42Å; D93-V109 HydrophobicContact CB-CG2 4.02Å; D93-V109 PolarHBondContact O-N 3.26Å
94	E	98.5	Very high	97.1	Very high	63 Å²	63	68.6 Å²	68.6	29%	0.294	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121	173.4	-170.7	-178.3	99	0	0	109.6	V42 N43 K106	V42-E94 CarbonylContact C-O 3.54Å; V42-E94 WeakPolarHBondContact CA-O 3.33Å; N43-E94 PolarHBondContact N-O 2.92Å; N43-E94 PolarHBondContact OD1-N 2.78Å; E94-K106 VanDerWaalsContact CG-CE 3.45Å; E94-K106 HydrophobicContact CG-CG 4.46Å; E94-K106 WeakPolarHBondContact OE1-CE 3.33Å; E94-K106 IonicContact OE1-NZ 2.71Å; E94-K106 PolarHBondContact OE1-NZ 2.65Å; E94-K106 WeakPolarHBondContact OE2-CE 3.47Å; E94-K106 IonicContact OE2-NZ 2.99Å; E94-K106 PolarHBondContact OE2-NZ 2.95Å
95	I	98.5	Very high	97.2	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.5	178.2	-57.9	77.5	0	0	0	108.8	L40 K41 L89 D93 K106 F107 V109	L40-I95 HydrophobicContact CD1-CG2 3.94Å; L40-I95 HydrophobicContact CD2-CG2 4.14Å; L40-I95 HydrophobicContact CG-CG2 3.88Å; K41-I95 WeakPolarHBondContact O-CA 3.25Å; L89-I95 HydrophobicContact CD1-CD1 4.15Å; L89-I95 HydrophobicContact CD1-CG1 4.12Å; L89-I95 HydrophobicContact CD2-CD1 4.48Å; L89-I95 HydrophobicContact CD2-CG1 4.21Å; D93-I95 HydrophobicContact CB-CD1 4.45Å; I95-K106 VanDerWaalsContact O-CA 3.3Å; I95-K106 WeakPolarHBondContact O-CA 3.16Å; I95-F107 HydrophobicContact CB-CD1 4.18Å; I95-F107 HydrophobicContact CB-CD2 4.22Å; I95-F107 HydrophobicContact CB-CE1 3.77Å; I95-F107 HydrophobicContact CB-CE2 3.82Å; I95-F107 HydrophobicContact CB-CG 4.4Å; I95-F107 HydrophobicContact CB-CZ 3.58Å; I95-F107 HydrophobicContact CD1-CD2 3.99Å; I95-F107 HydrophobicContact CD1-CE2 3.64Å; I95-F107 HydrophobicContact CD1-CZ 4.24Å; I95-F107 HydrophobicContact CG1-CD2 4.43Å; I95-F107 HydrophobicContact CG1-CE2 3.78Å; I95-F107 HydrophobicContact CG1-CZ 3.85Å; I95-F107 HydrophobicContact CG2-CD1 4.41Å; I95-F107 HydrophobicContact CG2-CE1 3.63Å; I95-F107 HydrophobicContact CG2-CE2 4.33Å; I95-F107 HydrophobicContact CG2-CZ 3.58Å; I95-F107 PolarHBondContact N-O 3.4Å; I95-F107 PolarHBondContact O-N 3.17Å; I95-V109 HydrophobicContact CD1-CG2 3.36Å
96	E	98.4	Very high	97.2	Very high	62 Å²	62	70.6 Å²	70.6	29%	0.29	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.9	167.7	-166	-166.7	-176.6	0	0	107.8	W39 L40 K41 I105	W39-E96 HydrophobicContact CH2-CB 4.47Å; W39-E96 HydrophobicContact CH2-CG 3.64Å; W39-E96 HydrophobicContact CZ3-CB 4.11Å; W39-E96 HydrophobicContact CZ3-CG 3.77Å; W39-E96 WeakPolarHBondContact CZ3-O 3.18Å; L40-E96 CarbonylContact C-O 3.6Å; L40-E96 WeakPolarHBondContact CA-O 3.29Å; K41-E96 HydrophobicContact CB-CB 4.43Å; K41-E96 PolarHBondContact N-O 2.78Å; K41-E96 IonicContact NZ-OE2 3.69Å; K41-E96 PolarHBondContact O-N 2.89Å; E96-I105 WeakPolarHBondContact CA-O 2.99Å
97	A	98.4	Very high	97.2	Very high	17 Å²	17	68.8 Å²	68.8	14%	0.14	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.3	178.9	0	0	0	0	0	110.6	W39 L40 S104 I105	W39-A97 VanDerWaalsContact O-CA 3.25Å; W39-A97 WeakPolarHBondContact O-CA 3.39Å; W39-A97 WeakPolarHBondContact O-CB 3.3Å; L40-A97 HydrophobicContact CB-CB 4.13Å; L40-A97 HydrophobicContact CD1-CB 4.13Å; L40-A97 HydrophobicContact CG-CB 4.05Å; A97-S104 CarbonylContact O-C 3.5Å; A97-S104 VanDerWaalsContact O-CA 3.23Å; A97-S104 WeakPolarHBondContact O-CA 3.46Å; A97-I105 HydrophobicContact CB-CG2 4.13Å; A97-I105 PolarHBondContact N-O 3.25Å; A97-I105 PolarHBondContact O-N 3.05Å
98	G	98	Very high	97.3	Very high	13 Å²	13	70.2 Å²	70.2	13%	0.134	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	177.3	-179	0	0	0	0	0	114.5	I38 W39 C103	I38-G98 WeakPolarHBondContact CA-O 3.49Å; W39-G98 PolarHBondContact N-O 2.72Å; W39-G98 PolarHBondContact O-N 2.71Å; G98-C103 CarbonylContact C-O 3.59Å; G98-C103 WeakPolarHBondContact CA-O 3.44Å
99	L	97.2	Very high	97.3	Very high	22 Å²	22	66.9 Å²	66.9	12%	0.115	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	104.3	171.1	171.9	64.5	0	0	0	107.4	N36 E37 I38 L52 D101 L102 C103	N36-L99 HydrophobicContact CB-CD1 4Å; E37-L99 CarbonylContact O-C 3.56Å; E37-L99 WeakPolarHBondContact O-CA 3.14Å; I38-L99 HydrophobicContact CG2-CB 4.45Å; I38-L99 HydrophobicContact CG2-CD1 3.82Å; L52-L99 HydrophobicContact CD1-CD1 3.87Å; L52-L99 HydrophobicContact CD2-CD1 4.25Å; L52-L99 HydrophobicContact CG-CD1 4.13Å; L99-D101 PolarHBondContact O-N 3.33Å; L99-L102 HydrophobicContact CD2-CD1 3.86Å; L99-L102 HydrophobicContact CG-CB 4.45Å; L99-L102 HydrophobicContact CG-CD1 4.08Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.3Å; L99-C103 PolarHBondContact N-O 3.34Å; L99-C103 PolarHBondContact O-N 3.41Å
100	D	95.5	Very high	97	Very high	47 Å²	47	73.7 Å²	73.7	25%	0.251	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	36.4	-125.6	-168.6	-63.2	-31.8	0	0	0	111.4	N36 E37 W39	N36-D100 WeakPolarHBondContact CA-OD2 3.41Å; N36-D100 WeakPolarHBondContact CB-OD2 3.12Å; N36-D100 VanDerWaalsContact CG-OD2 3.28Å; N36-D100 PolarHBondContact ND2-OD2 3.25Å; E37-D100 WeakPolarHBondContact CA-OD1 3.26Å; E37-D100 WeakPolarHBondContact CB-OD1 3.38Å; E37-D100 VanDerWaalsContact N-CG 3.33Å; E37-D100 PolarHBondContact N-OD1 2.74Å; E37-D100 PolarHBondContact N-OD2 2.99Å; E37-D100 PolarHBondContact O-N 2.99Å; W39-D100 PolarHBondContact NE1-O 3.37Å
101	D	92.7	Very high	97	Very high	170 Å²	170	67.6 Å²	67.6	91%	0.909	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	5	175.8	-52.8	-17.3	0	0	0	111.7	L99	L99-D101 PolarHBondContact O-N 3.33Å
102	L	95.7	Very high	97	Very high	69 Å²	69	67.2 Å²	67.2	36%	0.361	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-42.5	-176.3	-67.6	174.4	0	0	0	111.9	L15 P21 L99	L15-L102 HydrophobicContact CD1-CB 4.31Å; P21-L102 HydrophobicContact CG-CD1 4Å; L99-L102 HydrophobicContact CD2-CD1 3.86Å; L99-L102 HydrophobicContact CG-CB 4.45Å; L99-L102 HydrophobicContact CG-CD1 4.08Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.3Å
103	C	97	Very high	97	Very high	34 Å²	34	64.8 Å²	64.8	23%	0.23	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.3	174.9	67.5	0	0	0	0	112.4	P13 L15 G98 L99	P13-C103 HydrophobicContact CG-CB 3.98Å; L15-C103 HydrophobicContact CD1-CB 4.03Å; L15-C103 HydrophobicContact CD2-CB 4.2Å; L15-C103 HydrophobicContact CG-CB 4.38Å; G98-C103 CarbonylContact C-O 3.59Å; G98-C103 WeakPolarHBondContact CA-O 3.44Å; L99-C103 PolarHBondContact N-O 3.34Å; L99-C103 PolarHBondContact O-N 3.41Å
104	S	97.6	Very high	96.9	Very high	72 Å²	72	67.3 Å²	67.3	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.8	171	60.4	0	0	0	0	111.2	A97	A97-S104 CarbonylContact O-C 3.5Å; A97-S104 VanDerWaalsContact O-CA 3.23Å; A97-S104 WeakPolarHBondContact O-CA 3.46Å
105	I	98.1	Very high	96.8	Very high	42 Å²	42	67.6 Å²	67.6	22%	0.215	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.5	170.7	-176.6	173.6	0	0	0	108.7	P10 V11 E96 A97 F107	P10-I105 HydrophobicContact CB-CD1 4.43Å; V11-I105 WeakPolarHBondContact O-CD1 3.25Å; E96-I105 WeakPolarHBondContact CA-O 2.99Å; A97-I105 HydrophobicContact CB-CG2 4.13Å; A97-I105 PolarHBondContact N-O 3.25Å; A97-I105 PolarHBondContact O-N 3.05Å; I105-F107 HydrophobicContact CD1-CD1 4.2Å; I105-F107 HydrophobicContact CG1-CD1 4.17Å
106	K	97.9	Very high	96.7	Very high	127 Å²	127	72 Å²	72	55%	0.552	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.2	173.8	-171.5	176.6	-179.7	173.9	0	109.7	E94 I95	E94-K106 VanDerWaalsContact CG-CE 3.45Å; E94-K106 HydrophobicContact CG-CG 4.46Å; E94-K106 WeakPolarHBondContact OE1-CE 3.33Å; E94-K106 IonicContact OE1-NZ 2.71Å; E94-K106 PolarHBondContact OE1-NZ 2.65Å; E94-K106 WeakPolarHBondContact OE2-CE 3.47Å; E94-K106 IonicContact OE2-NZ 2.99Å; E94-K106 PolarHBondContact OE2-NZ 2.95Å; I95-K106 VanDerWaalsContact O-CA 3.3Å; I95-K106 WeakPolarHBondContact O-CA 3.16Å
107	F	97.9	Very high	96.6	Very high	64 Å²	64	72.7 Å²	72.7	28%	0.281	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.5	177.6	63.2	-86.3	0	0	0	111.3	P10 I95 I105	P10-F107 HydrophobicContact CB-CD1 4.17Å; P10-F107 HydrophobicContact CB-CE1 3.92Å; P10-F107 HydrophobicContact CB-CE2 4.4Å; P10-F107 HydrophobicContact CB-CZ 4.04Å; P10-F107 HydrophobicContact CG-CD2 4.42Å; P10-F107 HydrophobicContact CG-CE1 4.28Å; P10-F107 HydrophobicContact CG-CE2 3.95Å; P10-F107 HydrophobicContact CG-CZ 3.87Å; I95-F107 HydrophobicContact CB-CD1 4.18Å; I95-F107 HydrophobicContact CB-CD2 4.22Å; I95-F107 HydrophobicContact CB-CE1 3.77Å; I95-F107 HydrophobicContact CB-CE2 3.82Å; I95-F107 HydrophobicContact CB-CG 4.4Å; I95-F107 HydrophobicContact CB-CZ 3.58Å; I95-F107 HydrophobicContact CD1-CD2 3.99Å; I95-F107 HydrophobicContact CD1-CE2 3.64Å; I95-F107 HydrophobicContact CD1-CZ 4.24Å; I95-F107 HydrophobicContact CG1-CD2 4.43Å; I95-F107 HydrophobicContact CG1-CE2 3.78Å; I95-F107 HydrophobicContact CG1-CZ 3.85Å; I95-F107 HydrophobicContact CG2-CD1 4.41Å; I95-F107 HydrophobicContact CG2-CE1 3.63Å; I95-F107 HydrophobicContact CG2-CE2 4.33Å; I95-F107 HydrophobicContact CG2-CZ 3.58Å; I95-F107 PolarHBondContact N-O 3.4Å; I95-F107 PolarHBondContact O-N 3.17Å; I105-F107 HydrophobicContact CD1-CD1 4.2Å; I105-F107 HydrophobicContact CG1-CD1 4.17Å
108	S	97.3	Very high	96.4	Very high	76 Å²	76	77 Å²	77	53%	0.531	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149	177.4	-57.8	0	0	0	0	110.5	D93	D93-S108 WeakPolarHBondContact O-CA 3.42Å
109	V	97.1	Very high	96.3	Very high	39 Å²	39	82.3 Å²	82.3	24%	0.236	44%	0.437	C	S	.	.			trans	-82.6	121.1	168.8	-172.1	0	0	0	0	109	L89 R90 C92 D93 I95	L89-V109 HydrophobicContact CB-CG2 4.1Å; L89-V109 HydrophobicContact CD1-CG2 4.16Å; R90-V109 WeakPolarHBondContact O-CB 3.45Å; C92-V109 PolarHBondContact N-O 3.19Å; D93-V109 HydrophobicContact CB-CG2 4.02Å; D93-V109 PolarHBondContact O-N 3.26Å; I95-V109 HydrophobicContact CD1-CG2 3.36Å
110	E	91.3	Very high	96.2	Very high	226 Å²	226	87.8 Å²	87.8	100%	1.056	47%	0.466	S	S	*	.			trans	-91.8	0	171.5	-63	-177	174.1	0	0	110.6	S91	S91-E110 PolarHBondContact OG-OXT 3.07Å

Retrieved 110 of 110 residues in 21.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).