A0A087WTY2_HUMAN Loading...

Hexosaminidase subunit alpha

AlphaFold DB , UniProt , Accession A0A087WTY2, Species HUMAN (Homo sapiens, Human), Gene HEXA, Length 119 aa.

						>A0A087WTY2_HUMAN|A0A087WTY2|HEXA
MTSSRLWFSLLLAAAFAGRATALWPWPQNFQTSDQRYVLYPNNFQFQYDVSSAAQPGCSVLDEAFQRYRDLLFGSGSWPRPYLTGLSLSFRLECSGVITAYSNLELQDSSSLPASLMSS
					

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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	52.7	Low	69.1	Low	226 Å²	226	131.3 Å²	131.3	100%	1.113	67%	0.667	S	S	*	*				0	47.5	0	-65	150.3	84.2	0	0	111.8
2	T	55.1	Low	69.7	Low	112 Å²	112	129.3 Å²	129.3	69%	0.687	66%	0.658	S	S	*	*			trans	-122.8	-30.8	-178.3	51.7	0	0	0	0	112	S4 R5 L6	T2-S4 VanDerWaalsContact C-N 3.33Å; T2-S4 PolarHBondContact O-N 3.46Å; T2-R5 PolarHBondContact O-N 3.05Å; T2-L6 PolarHBondContact O-N 3.19Å
3	S	60.4	Low	69.7	Low	96 Å²	96	123.8 Å²	123.8	67%	0.671	65%	0.645	S	S	*	*	H	α-helix	trans	-59	-37.3	176.4	-172.9	0	0	0	0	113.9	W7	S3-W7 PolarHBondContact O-N 3.18Å
4	S	65.6	Low	69.5	Low	68 Å²	68	119.6 Å²	119.6	48%	0.476	64%	0.637	S	S	.	*	H	α-helix	trans	-69.7	-40	-178.1	177.5	0	0	0	0	111.8	T2 L6 W7 F8	T2-S4 VanDerWaalsContact C-N 3.33Å; T2-S4 PolarHBondContact O-N 3.46Å; S4-L6 PolarHBondContact O-N 2.91Å; S4-W7 PolarHBondContact O-N 3.45Å; S4-F8 VanDerWaalsContact O-CD2 3.23Å; S4-F8 WeakPolarHBondContact O-CD2 3.14Å; S4-F8 PolarHBondContact O-N 3.17Å; S4-F8 WeakPolarHBondContact OG-CE2 3.25Å
5	R	70	Confident	69.1	Low	198 Å²	198	117.1 Å²	117.1	75%	0.747	64%	0.64	S	S	*	*	H	α-helix	trans	-63.6	-41.8	179.6	-74.4	-174.5	164.1	-172.3	-4.5	112.3	T2 W7 F8 S9	T2-R5 PolarHBondContact O-N 3.05Å; R5-W7 VanDerWaalsContact C-N 3.28Å; R5-W7 PolarHBondContact O-N 3.11Å; R5-F8 PolarHBondContact O-N 3.39Å; R5-S9 WeakPolarHBondContact O-CB 3.22Å; R5-S9 PolarHBondContact O-N 3.38Å; R5-S9 PolarHBondContact O-OG 2.97Å; R5-S9 VanDerWaalsContact O-OG 3.09Å
6	L	73.6	Confident	68.5	Low	127 Å²	127	119.9 Å²	119.9	67%	0.665	65%	0.645	S	S	*	*	H	α-helix	trans	-63.9	-36.8	176.7	-65.2	174.8	0	0	0	111.8	T2 S4 S9 L10	T2-L6 PolarHBondContact O-N 3.19Å; S4-L6 PolarHBondContact O-N 2.91Å; L6-S9 PolarHBondContact O-N 3.43Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 PolarHBondContact O-N 3.05Å
7	W	74.9	Confident	67.9	Low	181 Å²	181	116.8 Å²	116.8	69%	0.686	64%	0.639	S	S	*	*	H	α-helix	trans	-71.9	-41.3	178.8	-140	29.2	0	0	0	112.3	S3 S4 R5 L10 L11	S3-W7 PolarHBondContact O-N 3.18Å; S4-W7 PolarHBondContact O-N 3.45Å; R5-W7 VanDerWaalsContact C-N 3.28Å; R5-W7 PolarHBondContact O-N 3.11Å; W7-L10 PolarHBondContact O-N 2.95Å; W7-L11 WeakPolarHBondContact O-CB 3.47Å; W7-L11 VanDerWaalsContact O-CG 3.3Å; W7-L11 WeakPolarHBondContact O-CG 3.32Å; W7-L11 PolarHBondContact O-N 2.88Å
8	F	75	Confident	67.3	Low	143 Å²	143	113.9 Å²	113.9	63%	0.627	64%	0.64	S	S	*	*	H	α-helix	trans	-61.2	-42.9	171.4	-86.3	-74.1	0	0	0	112	S4 R5 L10 L11 L12	S4-F8 VanDerWaalsContact O-CD2 3.23Å; S4-F8 WeakPolarHBondContact O-CD2 3.14Å; S4-F8 PolarHBondContact O-N 3.17Å; S4-F8 WeakPolarHBondContact OG-CE2 3.25Å; R5-F8 PolarHBondContact O-N 3.39Å; F8-L10 VanDerWaalsContact C-N 3.35Å; F8-L10 PolarHBondContact O-N 3.5Å; F8-L11 PolarHBondContact O-N 3.39Å; F8-L12 VanDerWaalsContact O-CB 3.24Å; F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 3.35Å
9	S	78.7	Confident	66.6	Low	76 Å²	76	118.5 Å²	118.5	53%	0.531	65%	0.647	S	S	.	*	H	α-helix	trans	-63.8	-38.6	175.1	-64.1	0	0	0	0	112.5	R5 L6 A13	R5-S9 WeakPolarHBondContact O-CB 3.22Å; R5-S9 PolarHBondContact O-N 3.38Å; R5-S9 PolarHBondContact O-OG 2.97Å; R5-S9 VanDerWaalsContact O-OG 3.09Å; L6-S9 PolarHBondContact O-N 3.43Å; S9-A13 VanDerWaalsContact O-CB 3.32Å; S9-A13 WeakPolarHBondContact O-CB 3.13Å; S9-A13 PolarHBondContact O-N 3.11Å
10	L	77.1	Confident	66	Low	112 Å²	112	117.2 Å²	117.2	59%	0.586	65%	0.652	S	S	*	*	H	α-helix	trans	-68.3	-44.1	177.1	-168.8	75.1	0	0	0	112	L6 W7 F8 L12 A13 A14	L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 PolarHBondContact O-N 3.05Å; W7-L10 PolarHBondContact O-N 2.95Å; F8-L10 VanDerWaalsContact C-N 3.35Å; F8-L10 PolarHBondContact O-N 3.5Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-A13 PolarHBondContact O-N 3.34Å; L10-A14 WeakPolarHBondContact O-CB 3.22Å; L10-A14 PolarHBondContact O-N 3.02Å
11	L	77.2	Confident	65.8	Low	105 Å²	105	114.5 Å²	114.5	55%	0.55	64%	0.639	S	S	.	*	H	α-helix	trans	-64.5	-39.9	176.4	-72.1	171.4	0	0	0	111.5	W7 F8 A14 A15	W7-L11 WeakPolarHBondContact O-CB 3.47Å; W7-L11 VanDerWaalsContact O-CG 3.3Å; W7-L11 WeakPolarHBondContact O-CG 3.32Å; W7-L11 PolarHBondContact O-N 2.88Å; F8-L11 PolarHBondContact O-N 3.39Å; L11-A14 PolarHBondContact O-N 2.7Å; L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.42Å
12	L	75.9	Confident	66.9	Low	107 Å²	107	108.9 Å²	108.9	56%	0.56	63%	0.629	S	S	*	*	H	α-helix	trans	-64.1	-44.7	174.5	-169.7	65.5	0	0	0	110.8	F8 L10 A14 A15 F16	F8-L12 VanDerWaalsContact O-CB 3.24Å; F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 3.35Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.97Å; L12-A15 PolarHBondContact O-N 3.4Å; L12-F16 HydrophobicContact CD1-CD2 4.23Å; L12-F16 HydrophobicContact CD1-CE2 3.72Å; L12-F16 HydrophobicContact CG-CD2 4.07Å; L12-F16 HydrophobicContact CG-CE2 3.88Å; L12-F16 WeakPolarHBondContact O-CD2 3.19Å; L12-F16 PolarHBondContact O-N 2.58Å; L12-F16 VanDerWaalsContact O-N 3.08Å
13	A	70.4	Confident	68.1	Low	59 Å²	59	107 Å²	107	49%	0.488	61%	0.614	S	S	.	*	H	α-helix	trans	-62.1	-38.1	175.3	0	0	0	0	0	112.6	S9 L10 F16 A17	S9-A13 VanDerWaalsContact O-CB 3.32Å; S9-A13 WeakPolarHBondContact O-CB 3.13Å; S9-A13 PolarHBondContact O-N 3.11Å; L10-A13 PolarHBondContact O-N 3.34Å; A13-F16 CarbonylContact O-C 3.47Å; A13-F16 PolarHBondContact O-N 3.05Å; A13-A17 PolarHBondContact O-N 3.27Å
14	A	66.2	Low	69	Low	64 Å²	64	113.8 Å²	113.8	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-68.5	-33.9	174.7	0	0	0	0	0	112.7	L10 L11 L12 F16 A17	L10-A14 WeakPolarHBondContact O-CB 3.22Å; L10-A14 PolarHBondContact O-N 3.02Å; L11-A14 PolarHBondContact O-N 2.7Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.97Å; A14-F16 VanDerWaalsContact C-N 3.26Å; A14-F16 PolarHBondContact O-N 3.49Å; A14-A17 WeakPolarHBondContact O-CB 3.24Å; A14-A17 PolarHBondContact O-N 3.28Å
15	A	63.6	Low	70	Confident	83 Å²	83	115.5 Å²	115.5	69%	0.686	63%	0.634	S	S	*	*	H	α-helix	trans	-68.6	-26.8	172.9	0	0	0	0	0	112.6	L11 L12	L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.42Å; L12-A15 PolarHBondContact O-N 3.4Å
16	F	59.3	Low	70.5	Confident	162 Å²	162	113.8 Å²	113.8	71%	0.711	63%	0.628	S	S	*	*	H	α-helix	trans	-90.9	-11.1	172.8	-76.6	-70.5	0	0	0	114	L12 A13 A14 G18	L12-F16 HydrophobicContact CD1-CD2 4.23Å; L12-F16 HydrophobicContact CD1-CE2 3.72Å; L12-F16 HydrophobicContact CG-CD2 4.07Å; L12-F16 HydrophobicContact CG-CE2 3.88Å; L12-F16 WeakPolarHBondContact O-CD2 3.19Å; L12-F16 PolarHBondContact O-N 2.58Å; L12-F16 VanDerWaalsContact O-N 3.08Å; A13-F16 CarbonylContact O-C 3.47Å; A13-F16 PolarHBondContact O-N 3.05Å; A14-F16 VanDerWaalsContact C-N 3.26Å; A14-F16 PolarHBondContact O-N 3.49Å; F16-G18 PolarHBondContact O-N 2.86Å
17	A	58.2	Low	71	Confident	67 Å²	67	110 Å²	110	55%	0.554	61%	0.611	S	S	*	*	S	Bend	trans	-64.2	104.9	169	0	0	0	0	0	106.8	A13 A14	A13-A17 PolarHBondContact O-N 3.27Å; A14-A17 WeakPolarHBondContact O-CB 3.24Å; A14-A17 PolarHBondContact O-N 3.28Å
18	G	56.9	Low	71.6	Confident	64 Å²	64	110.8 Å²	110.8	66%	0.66	62%	0.622	S	S	*	*			trans	-48.5	151.7	-177.5	0	0	0	0	0	111.6	F16 A20	F16-G18 PolarHBondContact O-N 2.86Å; G18-A20 PolarHBondContact O-N 3.04Å
19	R	54.2	Low	71.9	Confident	201 Å²	201	109.9 Å²	109.9	76%	0.758	62%	0.624	S	S	*	*			trans	-46.6	101.6	-175.2	-59.4	-177.8	-168.9	-165.3	1.5	110.1	T21 R36	R19-T21 PolarHBondContact O-N 2.85Å; R19-R36 VanDerWaalsContact NH1-NH1 3.12Å; R19-R36 VanDerWaalsContact NH1-NH2 3.17Å
20	A	54.8	Low	72	Confident	92 Å²	92	109.9 Å²	109.9	76%	0.76	62%	0.615	S	S	*	*			trans	-65.4	125.8	177.4	0	0	0	0	0	107.8	G18 A22	G18-A20 PolarHBondContact O-N 3.04Å; A20-A22 PolarHBondContact O-N 2.93Å
21	T	61.2	Low	72	Confident	61 Å²	61	112.8 Å²	112.8	37%	0.374	63%	0.625	S	S	.	*			trans	-65.8	114.7	164.7	46.7	0	0	0	0	106.5	R19 L23 F30	R19-T21 PolarHBondContact O-N 2.85Å; T21-L23 PolarHBondContact O-N 3.19Å; T21-F30 HydrophobicContact CG2-CZ 3.92Å
22	A	75.8	Confident	72	Confident	108 Å²	108	112.8 Å²	112.8	89%	0.893	63%	0.63	S	S	*	*			trans	-71.9	71.7	178.7	0	0	0	0	0	109.4	A20	A20-A22 PolarHBondContact O-N 2.93Å
23	L	82	Confident	72.1	Confident	72 Å²	72	111.7 Å²	111.7	38%	0.377	63%	0.631	S	S	.	*			trans	-101.7	125.3	178.3	-61.5	177.7	0	0	0	108.8	T21 P27 F30	T21-L23 PolarHBondContact O-N 3.19Å; L23-P27 HydrophobicContact CD1-CG 4.31Å; L23-F30 HydrophobicContact CD1-CD2 3.71Å; L23-F30 HydrophobicContact CD1-CE2 3.5Å; L23-F30 VanDerWaalsContact CD1-CE2 3.5Å; L23-F30 HydrophobicContact CD1-CG 4.49Å; L23-F30 HydrophobicContact CD1-CZ 4.11Å
24	W	77.6	Confident	72.5	Confident	240 Å²	240	116.7 Å²	116.7	91%	0.909	65%	0.649	S	S	*	*	S	Bend	trans	-144.9	128.8	176	-176.4	-95	0	0	0	110.6
25	P	88.5	Confident	73.1	Confident	103 Å²	103	119.4 Å²	119.4	67%	0.669	65%	0.651	S	S	*	*	S	Bend	cis	-65.4	168.6	-10.3	-19	33.3	0	0	0	113.2
26	W	80.4	Confident	73.6	Confident	163 Å²	163	123.8 Å²	123.8	62%	0.617	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-69.3	125.6	178	-167.9	-99.9	0	0	0	111.2	F30	W26-F30 HydrophobicContact CH2-CD1 4.3Å; W26-F30 HydrophobicContact CZ2-CD1 4.32Å
27	P	83.6	Confident	74.3	Confident	48 Å²	48	121.2 Å²	121.2	31%	0.312	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-71.2	156.1	179.8	29.4	-34.8	0	0	0	111.9	L23 N29 F30	L23-P27 HydrophobicContact CD1-CG 4.31Å; P27-N29 VanDerWaalsContact C-N 3.35Å; P27-F30 HydrophobicContact CG-CB 4.15Å; P27-F30 HydrophobicContact CG-CD2 4.49Å
28	Q	87.6	Confident	75.2	Confident	197 Å²	197	122.3 Å²	122.3	92%	0.921	64%	0.636	S	S	*	*	S	Bend	trans	-70.1	-30.5	179.4	-64.5	-62.9	-61.7	0	0	113.1
29	N	81.8	Confident	76.3	Confident	124 Å²	124	122.4 Å²	122.4	66%	0.663	62%	0.621	S	S	*	*	S	Bend	trans	-134.1	124.1	177.5	-171.3	-20.9	0	0	0	108.8	P27	P27-N29 VanDerWaalsContact C-N 3.35Å
30	F	80.2	Confident	77.5	Confident	76 Å²	76	116 Å²	116	33%	0.333	60%	0.598	S	S	.	*			trans	-136.4	122.8	179.6	-178.1	-111	0	0	0	110.1	T21 L23 W26 P27 T32	T21-F30 HydrophobicContact CG2-CZ 3.92Å; L23-F30 HydrophobicContact CD1-CD2 3.71Å; L23-F30 HydrophobicContact CD1-CE2 3.5Å; L23-F30 VanDerWaalsContact CD1-CE2 3.5Å; L23-F30 HydrophobicContact CD1-CG 4.49Å; L23-F30 HydrophobicContact CD1-CZ 4.11Å; W26-F30 HydrophobicContact CH2-CD1 4.3Å; W26-F30 HydrophobicContact CZ2-CD1 4.32Å; P27-F30 HydrophobicContact CG-CB 4.15Å; P27-F30 HydrophobicContact CG-CD2 4.49Å; F30-T32 HydrophobicContact CE1-CG2 3.62Å; F30-T32 HydrophobicContact CZ-CG2 3.94Å
31	Q	77.1	Confident	78.8	Confident	173 Å²	173	112.8 Å²	112.8	81%	0.808	57%	0.568	S	S	*	*			trans	-128.3	132.1	170.9	-62.1	-170.5	22.4	0	0	108.1
32	T	76.1	Confident	79.7	Confident	104 Å²	104	112.6 Å²	112.6	64%	0.638	57%	0.565	S	S	*	*			trans	-132	149.1	179.5	-171.6	0	0	0	0	110	F30	F30-T32 HydrophobicContact CE1-CG2 3.62Å; F30-T32 HydrophobicContact CZ-CG2 3.94Å
33	S	79	Confident	79.8	Confident	85 Å²	85	108.8 Å²	108.8	59%	0.594	53%	0.53	S	S	*	.			trans	-110.9	159.1	170.7	176.3	0	0	0	0	109.2	Q35	S33-Q35 PolarHBondContact O-N 2.76Å; S33-Q35 PolarHBondContact OG-N 3.36Å
34	D	79.3	Confident	79.9	Confident	163 Å²	163	105.4 Å²	105.4	87%	0.872	51%	0.512	S	S	*	.	S	Bend	trans	-75.3	-9.3	173	-70.8	-42.8	0	0	0	112.9
35	Q	77.6	Confident	80.3	Confident	122 Å²	122	97.9 Å²	97.9	57%	0.57	49%	0.487	S	S	*	.			trans	-66	135.1	178.7	-171.6	168.3	-8.4	0	0	111.6	S33 Y37	S33-Q35 PolarHBondContact O-N 2.76Å; S33-Q35 PolarHBondContact OG-N 3.36Å; Q35-Y37 HydrophobicContact CG-CE1 4.41Å; Q35-Y37 HydrophobicContact CG-CE2 3.97Å; Q35-Y37 VanDerWaalsContact NE2-CZ 3.29Å; Q35-Y37 PolarHBondContact NE2-OH 3.49Å
36	R	73.9	Confident	80.3	Confident	175 Å²	175	95 Å²	95	66%	0.66	46%	0.464	S	S	*	.			trans	-117.4	143.6	-178.5	-61.8	-174.8	-174.8	153.6	9.8	111.2	R19	R19-R36 VanDerWaalsContact NH1-NH1 3.12Å; R19-R36 VanDerWaalsContact NH1-NH2 3.17Å
37	Y	74.7	Confident	80.6	Confident	108 Å²	108	89.4 Å²	89.4	42%	0.424	45%	0.445	S	S	.	.			trans	-124.6	137.1	177.1	-58.6	-84	0	0	0	109.6	Q35 F90	Q35-Y37 HydrophobicContact CG-CE1 4.41Å; Q35-Y37 HydrophobicContact CG-CE2 3.97Å; Q35-Y37 VanDerWaalsContact NE2-CZ 3.29Å; Q35-Y37 PolarHBondContact NE2-OH 3.49Å; Y37-F90 HydrophobicContact CD1-CE2 4.4Å; Y37-F90 HydrophobicContact CG-CE2 4.08Å
38	V	77.3	Confident	80.8	Confident	90 Å²	90	88.6 Å²	88.6	55%	0.545	44%	0.436	S	S	.	.			trans	-90.3	124.7	173.5	-179	0	0	0	0	108.1	Y40	V38-Y40 HydrophobicContact CB-CE2 4.34Å; V38-Y40 HydrophobicContact CG1-CD2 4.45Å; V38-Y40 HydrophobicContact CG1-CE1 4.09Å; V38-Y40 HydrophobicContact CG1-CE2 3.83Å
39	L	79.2	Confident	80.7	Confident	66 Å²	66	80.5 Å²	80.5	35%	0.346	40%	0.399	S	S	.	.			trans	-97.9	133.3	176.5	-55.5	-175.3	0	0	0	109.7	F44 F73 F90	L39-F44 HydrophobicContact CD1-CD2 4.3Å; L39-F44 HydrophobicContact CD1-CE2 4.26Å; L39-F44 HydrophobicContact CD2-CD2 4.28Å; L39-F73 HydrophobicContact CB-CE1 4.09Å; L39-F73 HydrophobicContact CB-CZ 4.06Å; L39-F73 HydrophobicContact CD1-CZ 4.45Å; L39-F90 HydrophobicContact CD2-CB 3.92Å; L39-F90 HydrophobicContact CD2-CD1 3.37Å; L39-F90 HydrophobicContact CD2-CD2 3.59Å; L39-F90 HydrophobicContact CD2-CE1 3.52Å; L39-F90 HydrophobicContact CD2-CE2 3.78Å; L39-F90 HydrophobicContact CD2-CG 3.34Å; L39-F90 HydrophobicContact CD2-CZ 3.71Å
40	Y	79.1	Confident	80.8	Confident	67 Å²	67	81 Å²	81	26%	0.263	41%	0.406	S	S	.	.			trans	-111.4	126.9	174.3	-65.7	-75.7	0	0	0	109.9	V38 N42 N43 F44 P81	V38-Y40 HydrophobicContact CB-CE2 4.34Å; V38-Y40 HydrophobicContact CG1-CD2 4.45Å; V38-Y40 HydrophobicContact CG1-CE1 4.09Å; V38-Y40 HydrophobicContact CG1-CE2 3.83Å; Y40-N42 PolarHBondContact O-N 2.89Å; Y40-N42 VanDerWaalsContact O-N 3.08Å; Y40-N43 PolarHBondContact O-N 2.85Å; Y40-F44 WeakPolarHBondContact O-CB 3.36Å; Y40-F44 PolarHBondContact O-N 3.35Å; Y40-P81 HydrophobicContact CD1-CB 4.12Å; Y40-P81 HydrophobicContact CD1-CG 3.65Å; Y40-P81 HydrophobicContact CE1-CB 4.17Å; Y40-P81 HydrophobicContact CE1-CG 4.17Å; Y40-P81 HydrophobicContact CG-CG 4.1Å
41	P	82.3	Confident	81	Confident	23 Å²	23	82.1 Å²	82.1	15%	0.149	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.8	-177.6	-21.1	25.6	0	0	0	113.4	N43 R69 F73 W78	P41-N43 VanDerWaalsContact C-N 3.35Å; P41-R69 PolarHBondContact O-NH2 3.29Å; P41-F73 HydrophobicContact CB-CB 4.09Å; P41-F73 HydrophobicContact CB-CD1 3.91Å; P41-F73 HydrophobicContact CB-CG 3.88Å; P41-F73 HydrophobicContact CG-CB 4.27Å; P41-F73 HydrophobicContact CG-CD1 3.59Å; P41-F73 HydrophobicContact CG-CE1 4.21Å; P41-F73 HydrophobicContact CG-CG 4.04Å; P41-W78 HydrophobicContact CB-CB 3.71Å; P41-W78 VanDerWaalsContact CB-CD1 3.42Å; P41-W78 HydrophobicContact CB-CD2 3.66Å; P41-W78 HydrophobicContact CB-CE3 4.37Å; P41-W78 HydrophobicContact CB-CG 3.24Å; P41-W78 HydrophobicContact CG-CB 4.01Å; P41-W78 HydrophobicContact CG-CD2 3.51Å; P41-W78 HydrophobicContact CG-CE3 3.71Å; P41-W78 HydrophobicContact CG-CG 3.59Å
42	N	80.6	Confident	81.4	Confident	58 Å²	58	75 Å²	75	31%	0.31	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.2	-177.1	-72	-53.1	0	0	0	114.2	Y40 W78 P79 R80	Y40-N42 PolarHBondContact O-N 2.89Å; Y40-N42 VanDerWaalsContact O-N 3.08Å; N42-W78 PolarHBondContact ND2-O 3.02Å; N42-W78 VanDerWaalsContact ND2-O 3.1Å; N42-P79 PolarHBondContact ND2-O 3.17Å; N42-P79 VanDerWaalsContact ND2-O 3.14Å; N42-R80 HydrophobicContact CB-CG 4.38Å; N42-R80 VanDerWaalsContact ND2-CA 3.35Å; N42-R80 WeakPolarHBondContact ND2-CA 3.43Å
43	N	78.8	Confident	81.9	Confident	27 Å²	27	75.3 Å²	75.3	14%	0.144	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	2.7	-173.8	-62.9	-17.1	0	0	0	113.6	Y40 P41 S87 L88 S89 F90	Y40-N43 PolarHBondContact O-N 2.85Å; P41-N43 VanDerWaalsContact C-N 3.35Å; N43-S87 PolarHBondContact ND2-OG 3.05Å; N43-S87 PolarHBondContact OD1-OG 3.16Å; N43-L88 WeakPolarHBondContact CB-O 3.35Å; N43-L88 PolarHBondContact ND2-O 3.02Å; N43-S89 WeakPolarHBondContact O-CA 3.22Å; N43-F90 PolarHBondContact O-N 3.44Å
44	F	84	Confident	82.3	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.009	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	144	172.6	176.6	-93.1	0	0	0	109.9	L39 Y40 F46 R69 L72 F73 F90 L92	L39-F44 HydrophobicContact CD1-CD2 4.3Å; L39-F44 HydrophobicContact CD1-CE2 4.26Å; L39-F44 HydrophobicContact CD2-CD2 4.28Å; Y40-F44 WeakPolarHBondContact O-CB 3.36Å; Y40-F44 PolarHBondContact O-N 3.35Å; F44-F46 AromaticContact CE1-CD2 3.9Å; F44-F46 HydrophobicContact CE1-CD2 3.9Å; F44-F46 HydrophobicContact CE1-CE1 4.31Å; F44-F46 AromaticContact CE1-CE2 3.57Å; F44-F46 HydrophobicContact CE1-CE2 3.57Å; F44-F46 HydrophobicContact CE1-CG 4.4Å; F44-F46 AromaticContact CE1-CZ 3.79Å; F44-F46 HydrophobicContact CE1-CZ 3.79Å; F44-F46 HydrophobicContact CZ-CD1 4.39Å; F44-F46 HydrophobicContact CZ-CD2 4.45Å; F44-F46 AromaticContact CZ-CE1 3.95Å; F44-F46 HydrophobicContact CZ-CE1 3.95Å; F44-F46 HydrophobicContact CZ-CE2 4.02Å; F44-F46 AromaticContact CZ-CZ 3.74Å; F44-F46 HydrophobicContact CZ-CZ 3.74Å; F44-R69 PolarHBondContact O-NH1 2.94Å; F44-R69 PolarHBondContact O-NH2 3.07Å; F44-L72 HydrophobicContact CE1-CD1 4.22Å; F44-L72 HydrophobicContact CZ-CD1 4.07Å; F44-F73 HydrophobicContact CB-CE2 3.95Å; F44-F73 HydrophobicContact CB-CZ 3.9Å; F44-F73 HydrophobicContact CD1-CD2 4.47Å; F44-F73 AromaticContact CD1-CE2 3.42Å; F44-F73 HydrophobicContact CD1-CE2 3.42Å; F44-F73 VanDerWaalsContact CD1-CE2 3.42Å; F44-F73 HydrophobicContact CD1-CZ 4.01Å; F44-F73 HydrophobicContact CD2-CE2 4.42Å; F44-F73 HydrophobicContact CD2-CZ 4.21Å; F44-F73 AromaticContact CE1-CE2 3.95Å; F44-F73 HydrophobicContact CE1-CE2 3.95Å; F44-F73 AromaticContact CG-CE2 3.68Å; F44-F73 HydrophobicContact CG-CE2 3.68Å; F44-F73 AromaticContact CG-CZ 3.77Å; F44-F73 HydrophobicContact CG-CZ 3.77Å; F44-F90 CarbonylContact C-O 3.52Å; F44-F90 VanDerWaalsContact CA-O 3.3Å; F44-F90 WeakPolarHBondContact CA-O 3.1Å; F44-F90 HydrophobicContact CD2-CB 4.24Å; F44-F90 AromaticContact CD2-CD1 3.61Å; F44-F90 HydrophobicContact CD2-CD1 3.61Å; F44-F90 HydrophobicContact CD2-CE1 4.41Å; F44-F90 HydrophobicContact CD2-CG 4.36Å; F44-F90 AromaticContact CE2-CD1 3.67Å; F44-F90 HydrophobicContact CE2-CD1 3.67Å; F44-F90 HydrophobicContact CE2-CE1 4.08Å; F44-L92 HydrophobicContact CE2-CD1 3.81Å; F44-L92 HydrophobicContact CE2-CG 3.91Å; F44-L92 HydrophobicContact CZ-CD1 3.74Å; F44-L92 HydrophobicContact CZ-CG 4.13Å
45	Q	85.1	Confident	82.7	Confident	82 Å²	82	69.4 Å²	69.4	38%	0.383	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	141.9	168.8	54.4	-169.9	59.8	0	0	112.9	Q47 F90 R91 L92	Q45-Q47 VanDerWaalsContact NE2-CD 3.34Å; Q45-F90 PolarHBondContact N-O 3.18Å; Q45-R91 WeakPolarHBondContact O-CA 3.48Å; Q45-L92 PolarHBondContact O-N 3.18Å; Q45-L92 VanDerWaalsContact O-N 3.1Å
46	F	88.2	Confident	83.3	Confident	42 Å²	42	68.2 Å²	68.2	18%	0.184	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	142.3	166.4	-66.2	-74.8	0	0	0	109.7	F44 F65 R69 L72 L92	F44-F46 AromaticContact CE1-CD2 3.9Å; F44-F46 HydrophobicContact CE1-CD2 3.9Å; F44-F46 HydrophobicContact CE1-CE1 4.31Å; F44-F46 AromaticContact CE1-CE2 3.57Å; F44-F46 HydrophobicContact CE1-CE2 3.57Å; F44-F46 HydrophobicContact CE1-CG 4.4Å; F44-F46 AromaticContact CE1-CZ 3.79Å; F44-F46 HydrophobicContact CE1-CZ 3.79Å; F44-F46 HydrophobicContact CZ-CD1 4.39Å; F44-F46 HydrophobicContact CZ-CD2 4.45Å; F44-F46 AromaticContact CZ-CE1 3.95Å; F44-F46 HydrophobicContact CZ-CE1 3.95Å; F44-F46 HydrophobicContact CZ-CE2 4.02Å; F44-F46 AromaticContact CZ-CZ 3.74Å; F44-F46 HydrophobicContact CZ-CZ 3.74Å; F46-F65 HydrophobicContact CB-CB 3.81Å; F46-F65 HydrophobicContact CB-CD1 3.69Å; F46-F65 HydrophobicContact CB-CD2 3.8Å; F46-F65 HydrophobicContact CB-CE1 4.19Å; F46-F65 HydrophobicContact CB-CE2 4.28Å; F46-F65 HydrophobicContact CB-CG 3.48Å; F46-F65 VanDerWaalsContact CB-CG 3.48Å; F46-F65 HydrophobicContact CB-CZ 4.46Å; F46-F65 HydrophobicContact CD1-CD1 4.35Å; F46-F65 HydrophobicContact CD2-CB 3.98Å; F46-F65 HydrophobicContact CD2-CD1 4.42Å; F46-F65 HydrophobicContact CD2-CG 4.38Å; F46-F65 WeakPolarHBondContact CD2-O 3.27Å; F46-F65 WeakPolarHBondContact CE2-O 3.3Å; F46-F65 HydrophobicContact CG-CB 4.15Å; F46-F65 AromaticContact CG-CD1 3.93Å; F46-F65 HydrophobicContact CG-CD1 3.93Å; F46-F65 HydrophobicContact CG-CG 4.06Å; F46-R69 HydrophobicContact CE2-CB 4.24Å; F46-L72 HydrophobicContact CE2-CD1 4.49Å; F46-L72 HydrophobicContact CZ-CD1 3.99Å; F46-L92 HydrophobicContact CD1-CB 3.97Å; F46-L92 HydrophobicContact CD1-CD1 4.32Å; F46-L92 HydrophobicContact CE1-CB 4.31Å; F46-L92 HydrophobicContact CE1-CD1 3.82Å
47	Q	87.1	Confident	84	Confident	46 Å²	46	63.1 Å²	63.1	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.2	177.8	-99.8	162.8	120.1	0	0	113.6	Q45 R91 L92 E93 C94	Q45-Q47 VanDerWaalsContact NE2-CD 3.34Å; Q47-R91 HydrophobicContact CB-CG 4.3Å; Q47-R91 VanDerWaalsContact NE2-CD 3.31Å; Q47-R91 VanDerWaalsContact NE2-CG 3.31Å; Q47-R91 VanDerWaalsContact NE2-NH2 3.16Å; Q47-L92 PolarHBondContact N-O 2.93Å; Q47-E93 HydrophobicContact CB-CG 4.45Å; Q47-E93 WeakPolarHBondContact O-CA 3.41Å; Q47-C94 PolarHBondContact O-N 2.88Å
48	Y	87.3	Confident	84.8	Confident	31 Å²	31	60.1 Å²	60.1	12%	0.122	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.5	166.6	-63.3	-87.9	0	0	0	109.2	A54 P56 L61 D62 F65	Y48-A54 HydrophobicContact CD1-CB 4.39Å; Y48-A54 WeakPolarHBondContact CD1-O 3.33Å; Y48-A54 HydrophobicContact CE1-CB 4.12Å; Y48-P56 HydrophobicContact CD2-CG 3.85Å; Y48-P56 HydrophobicContact CE2-CB 4.46Å; Y48-P56 HydrophobicContact CE2-CG 4.28Å; Y48-P56 HydrophobicContact CG-CG 4.49Å; Y48-L61 HydrophobicContact CE1-CB 4.03Å; Y48-L61 HydrophobicContact CE1-CD1 3.69Å; Y48-L61 WeakPolarHBondContact OH-CB 3.02Å; Y48-D62 VanDerWaalsContact CE2-OD1 3.22Å; Y48-D62 WeakPolarHBondContact CE2-OD1 3.32Å; Y48-D62 VanDerWaalsContact CZ-OD1 3.32Å; Y48-D62 PolarHBondContact OH-N 2.79Å; Y48-D62 PolarHBondContact OH-OD1 3.36Å; Y48-F65 HydrophobicContact CD2-CE2 4.08Å; Y48-F65 HydrophobicContact CE1-CE2 4.24Å; Y48-F65 HydrophobicContact CE1-CZ 4.43Å; Y48-F65 HydrophobicContact CE2-CD2 4.35Å; Y48-F65 AromaticContact CE2-CE2 3.64Å; Y48-F65 HydrophobicContact CE2-CE2 3.64Å; Y48-F65 AromaticContact CZ-CE2 3.73Å
49	D	85.8	Confident	85.5	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.144	37%	0.368	C	S	.	.			trans	-73.7	148.3	166.9	174.7	-108.6	0	0	0	110.1	S51 S52 E93 S95	D49-S51 PolarHBondContact O-N 2.99Å; D49-S51 WeakPolarHBondContact OD1-CA 3.5Å; D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 3.42Å; D49-S51 PolarHBondContact OD1-OG 3.28Å; D49-S52 WeakPolarHBondContact O-CB 3.17Å; D49-S52 PolarHBondContact O-N 2.99Å; D49-E93 HydrophobicContact CB-CB 4.3Å; D49-S95 VanDerWaalsContact CB-CB 3.41Å; D49-S95 VanDerWaalsContact CB-OG 3.24Å; D49-S95 WeakPolarHBondContact CB-OG 3.47Å; D49-S95 VanDerWaalsContact CG-OG 3.25Å; D49-S95 WeakPolarHBondContact OD1-CB 3.39Å; D49-S95 PolarHBondContact OD1-OG 3.02Å
50	V	84.4	Confident	86.1	Confident	134 Å²	134	61.8 Å²	61.8	81%	0.812	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.4	-178.8	-65.1	0	0	0	0	113
51	S	85.3	Confident	86.7	Confident	99 Å²	99	61.2 Å²	61.2	69%	0.692	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	1.5	178.7	-42.6	0	0	0	0	112.6	D49	D49-S51 PolarHBondContact O-N 2.99Å; D49-S51 WeakPolarHBondContact OD1-CA 3.5Å; D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 3.42Å; D49-S51 PolarHBondContact OD1-OG 3.28Å
52	S	83.8	Confident	87.2	Confident	23 Å²	23	62.8 Å²	62.8	16%	0.161	39%	0.392	C	S	.	.			trans	-71.3	136.4	-178	-164.5	0	0	0	0	111.1	D49 A54 Q55 C94	D49-S52 WeakPolarHBondContact O-CB 3.17Å; D49-S52 PolarHBondContact O-N 2.99Å; S52-A54 WeakPolarHBondContact CB-O 3.45Å; S52-A54 PolarHBondContact O-N 2.87Å; S52-A54 PolarHBondContact OG-O 3.1Å; S52-Q55 PolarHBondContact O-NE2 3.41Å; S52-C94 PolarHBondContact OG-O 2.87Å; S52-C94 VanDerWaalsContact OG-O 3.11Å
53	A	86.8	Confident	87.8	Confident	111 Å²	111	65.7 Å²	65.7	92%	0.917	40%	0.404	S	S	*	.	S	Bend	trans	-66.1	-25.1	175	0	0	0	0	0	112.4
54	A	87.3	Confident	88.5	Confident	27 Å²	27	65 Å²	65	22%	0.223	40%	0.401	C	S	.	.	S	Bend	trans	-92	141.3	171.3	0	0	0	0	0	109.9	Y48 S52 L61	Y48-A54 HydrophobicContact CD1-CB 4.39Å; Y48-A54 WeakPolarHBondContact CD1-O 3.33Å; Y48-A54 HydrophobicContact CE1-CB 4.12Å; S52-A54 WeakPolarHBondContact CB-O 3.45Å; S52-A54 PolarHBondContact O-N 2.87Å; S52-A54 PolarHBondContact OG-O 3.1Å; A54-L61 HydrophobicContact CB-CD1 3.62Å
55	Q	87.8	Confident	88.8	Confident	97 Å²	97	66.3 Å²	66.3	45%	0.453	41%	0.407	S	S	.	.			trans	-127.6	166	-177.1	-69.2	-63.7	-51	0	0	109.9	S52 G57 C58	S52-Q55 PolarHBondContact O-NE2 3.41Å; Q55-G57 PolarHBondContact O-N 2.52Å; Q55-C58 WeakPolarHBondContact O-CB 3.37Å; Q55-C58 PolarHBondContact O-N 3.29Å
56	P	89.8	Confident	89	Confident	97 Å²	97	67.9 Å²	67.9	63%	0.63	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	134.5	172.9	-26.2	34.5	0	0	0	111.6	Y48	Y48-P56 HydrophobicContact CD2-CG 3.85Å; Y48-P56 HydrophobicContact CE2-CB 4.46Å; Y48-P56 HydrophobicContact CE2-CG 4.28Å; Y48-P56 HydrophobicContact CG-CG 4.49Å
57	G	89.8	Confident	89.3	Confident	68 Å²	68	71.9 Å²	71.9	70%	0.701	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.2	-5.2	-170	0	0	0	0	0	113.5	Q55 S59 D62	Q55-G57 PolarHBondContact O-N 2.52Å; G57-S59 PolarHBondContact O-N 2.88Å; G57-S59 VanDerWaalsContact O-N 3.11Å; G57-D62 WeakPolarHBondContact CA-OD2 3.45Å; G57-D62 PolarHBondContact N-OD2 3.32Å
58	C	90.9	Very high	89.4	Confident	45 Å²	45	75.4 Å²	75.4	30%	0.304	44%	0.441	S	S	.	.			trans	-74.9	92.2	165.3	-176	0	0	0	0	109.7	Q55 V60 L61 D62	Q55-C58 WeakPolarHBondContact O-CB 3.37Å; Q55-C58 PolarHBondContact O-N 3.29Å; C58-V60 PolarHBondContact O-N 3.29Å; C58-L61 HydrophobicContact CB-CB 4.37Å; C58-L61 PolarHBondContact O-N 3.47Å; C58-D62 PolarHBondContact N-OD2 3.46Å; C58-D62 PolarHBondContact O-N 3.42Å
59	S	92.3	Very high	89.5	Confident	82 Å²	82	77.3 Å²	77.3	57%	0.573	45%	0.448	S	S	*	.	H	α-helix	trans	-49.5	-37.8	-177.2	55.5	0	0	0	0	113.9	G57 L61 E63	G57-S59 PolarHBondContact O-N 2.88Å; G57-S59 VanDerWaalsContact O-N 3.11Å; S59-L61 PolarHBondContact O-N 3.47Å; S59-E63 VanDerWaalsContact O-CB 3.25Å; S59-E63 WeakPolarHBondContact O-CB 3.34Å; S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.42Å
60	V	92.9	Very high	89.7	Confident	110 Å²	110	79.2 Å²	79.2	67%	0.667	46%	0.458	S	S	*	.	H	α-helix	trans	-61.5	-44.1	178.8	177.7	0	0	0	0	111.9	C58 A64	C58-V60 PolarHBondContact O-N 3.29Å; V60-A64 WeakPolarHBondContact O-CB 3.39Å; V60-A64 PolarHBondContact O-N 3.28Å
61	L	91.5	Very high	90	Very high	55 Å²	55	79.1 Å²	79.1	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-82.5	-38.9	-177.4	-74.3	175.8	0	0	0	111.6	Y48 A54 C58 S59 E63 A64 F65	Y48-L61 HydrophobicContact CE1-CB 4.03Å; Y48-L61 HydrophobicContact CE1-CD1 3.69Å; Y48-L61 WeakPolarHBondContact OH-CB 3.02Å; A54-L61 HydrophobicContact CB-CD1 3.62Å; C58-L61 HydrophobicContact CB-CB 4.37Å; C58-L61 PolarHBondContact O-N 3.47Å; S59-L61 PolarHBondContact O-N 3.47Å; L61-E63 PolarHBondContact O-N 2.95Å; L61-A64 PolarHBondContact O-N 3.43Å; L61-F65 HydrophobicContact CB-CZ 4.32Å; L61-F65 HydrophobicContact CD2-CE1 4.5Å; L61-F65 WeakPolarHBondContact O-CD1 3.45Å; L61-F65 WeakPolarHBondContact O-CG 3.38Å; L61-F65 PolarHBondContact O-N 3.2Å
62	D	91.6	Very high	90.2	Very high	55 Å²	55	79.2 Å²	79.2	29%	0.294	44%	0.444	S	S	.	.	H	α-helix	trans	-58.5	-48.4	176.7	-66.2	-24.3	0	0	0	110.9	Y48 G57 C58 F65 Q66	Y48-D62 VanDerWaalsContact CE2-OD1 3.22Å; Y48-D62 WeakPolarHBondContact CE2-OD1 3.32Å; Y48-D62 VanDerWaalsContact CZ-OD1 3.32Å; Y48-D62 PolarHBondContact OH-N 2.79Å; Y48-D62 PolarHBondContact OH-OD1 3.36Å; G57-D62 WeakPolarHBondContact CA-OD2 3.45Å; G57-D62 PolarHBondContact N-OD2 3.32Å; C58-D62 PolarHBondContact N-OD2 3.46Å; C58-D62 PolarHBondContact O-N 3.42Å; D62-F65 PolarHBondContact O-N 3.37Å; D62-Q66 PolarHBondContact O-N 3.47Å
63	E	93.5	Very high	90.4	Very high	119 Å²	119	80 Å²	80	56%	0.556	45%	0.445	S	S	*	.	H	α-helix	trans	-68.3	-34.9	176.2	-66.8	-66.4	162.9	0	0	112.4	S59 L61 Q66 R67	S59-E63 VanDerWaalsContact O-CB 3.25Å; S59-E63 WeakPolarHBondContact O-CB 3.34Å; S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.42Å; L61-E63 PolarHBondContact O-N 2.95Å; E63-Q66 PolarHBondContact O-N 3.46Å; E63-R67 WeakPolarHBondContact O-CB 3.32Å; E63-R67 PolarHBondContact O-N 3.31Å
64	A	92.5	Very high	90.4	Very high	12 Å²	12	75.9 Å²	75.9	10%	0.099	41%	0.413	C	S	.	.	H	α-helix	trans	-65.2	-43	176.1	0	0	0	0	0	111.5	V60 L61 Q66 R67 Y68	V60-A64 WeakPolarHBondContact O-CB 3.39Å; V60-A64 PolarHBondContact O-N 3.28Å; L61-A64 PolarHBondContact O-N 3.43Å; A64-Q66 VanDerWaalsContact C-N 3.31Å; A64-Q66 PolarHBondContact O-N 3.09Å; A64-R67 PolarHBondContact O-N 3.5Å; A64-Y68 HydrophobicContact CB-CD2 4.24Å; A64-Y68 HydrophobicContact CB-CE2 4.24Å; A64-Y68 WeakPolarHBondContact O-CB 2.92Å; A64-Y68 WeakPolarHBondContact O-CD2 3.42Å; A64-Y68 PolarHBondContact O-N 3.24Å
65	F	91.3	Very high	89.8	Confident	30 Å²	30	79.9 Å²	79.9	13%	0.132	44%	0.44	C	S	.	.	H	α-helix	trans	-59.3	-43.7	177.8	-68.1	-13.6	0	0	0	111.7	F46 Y48 L61 D62 R69 C94	F46-F65 HydrophobicContact CB-CB 3.81Å; F46-F65 HydrophobicContact CB-CD1 3.69Å; F46-F65 HydrophobicContact CB-CD2 3.8Å; F46-F65 HydrophobicContact CB-CE1 4.19Å; F46-F65 HydrophobicContact CB-CE2 4.28Å; F46-F65 HydrophobicContact CB-CG 3.48Å; F46-F65 VanDerWaalsContact CB-CG 3.48Å; F46-F65 HydrophobicContact CB-CZ 4.46Å; F46-F65 HydrophobicContact CD1-CD1 4.35Å; F46-F65 HydrophobicContact CD2-CB 3.98Å; F46-F65 HydrophobicContact CD2-CD1 4.42Å; F46-F65 HydrophobicContact CD2-CG 4.38Å; F46-F65 WeakPolarHBondContact CD2-O 3.27Å; F46-F65 WeakPolarHBondContact CE2-O 3.3Å; F46-F65 HydrophobicContact CG-CB 4.15Å; F46-F65 AromaticContact CG-CD1 3.93Å; F46-F65 HydrophobicContact CG-CD1 3.93Å; F46-F65 HydrophobicContact CG-CG 4.06Å; Y48-F65 HydrophobicContact CD2-CE2 4.08Å; Y48-F65 HydrophobicContact CE1-CE2 4.24Å; Y48-F65 HydrophobicContact CE1-CZ 4.43Å; Y48-F65 HydrophobicContact CE2-CD2 4.35Å; Y48-F65 AromaticContact CE2-CE2 3.64Å; Y48-F65 HydrophobicContact CE2-CE2 3.64Å; Y48-F65 AromaticContact CZ-CE2 3.73Å; L61-F65 HydrophobicContact CB-CZ 4.32Å; L61-F65 HydrophobicContact CD2-CE1 4.5Å; L61-F65 WeakPolarHBondContact O-CD1 3.45Å; L61-F65 WeakPolarHBondContact O-CG 3.38Å; L61-F65 PolarHBondContact O-N 3.2Å; D62-F65 PolarHBondContact O-N 3.37Å; F65-R69 WeakPolarHBondContact O-CB 3.42Å; F65-R69 PolarHBondContact O-N 2.92Å; F65-C94 HydrophobicContact CE1-CB 4.38Å; F65-C94 WeakPolarHBondContact CE1-SG 3.35Å; F65-C94 HydrophobicContact CZ-CB 3.97Å; F65-C94 WeakPolarHBondContact CZ-SG 3.49Å
66	Q	89.9	Confident	88.9	Confident	116 Å²	116	77.4 Å²	77.4	54%	0.542	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-51	175.1	-175.1	170.1	-12.2	0	0	111.3	D62 E63 A64 Y68 R69 D70	D62-Q66 PolarHBondContact O-N 3.47Å; E63-Q66 PolarHBondContact O-N 3.46Å; A64-Q66 VanDerWaalsContact C-N 3.31Å; A64-Q66 PolarHBondContact O-N 3.09Å; Q66-Y68 PolarHBondContact O-N 2.94Å; Q66-R69 WeakPolarHBondContact O-CB 3.23Å; Q66-R69 PolarHBondContact O-N 2.87Å; Q66-R69 VanDerWaalsContact O-N 3.16Å; Q66-D70 PolarHBondContact O-N 3.21Å
67	R	93.1	Very high	88	Confident	125 Å²	125	78.6 Å²	78.6	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-58.3	-44.5	-179.7	-174.1	-178.5	67.5	-112.5	0.9	112.9	E63 A64 D70 L71	E63-R67 WeakPolarHBondContact O-CB 3.32Å; E63-R67 PolarHBondContact O-N 3.31Å; A64-R67 PolarHBondContact O-N 3.5Å; R67-D70 PolarHBondContact O-N 2.91Å; R67-L71 WeakPolarHBondContact O-CG 2.74Å; R67-L71 PolarHBondContact O-N 3.43Å
68	Y	90.9	Very high	86.8	Confident	120 Å²	120	80.1 Å²	80.1	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-71.1	-32.6	179.5	-77	-65.5	0	0	0	112.4	A64 Q66 D70 L71 L72	A64-Y68 HydrophobicContact CB-CD2 4.24Å; A64-Y68 HydrophobicContact CB-CE2 4.24Å; A64-Y68 WeakPolarHBondContact O-CB 2.92Å; A64-Y68 WeakPolarHBondContact O-CD2 3.42Å; A64-Y68 PolarHBondContact O-N 3.24Å; Q66-Y68 PolarHBondContact O-N 2.94Å; Y68-D70 VanDerWaalsContact C-N 3.31Å; Y68-L71 HydrophobicContact CD1-CD1 3.97Å; Y68-L71 HydrophobicContact CE1-CD1 4.28Å; Y68-L71 PolarHBondContact O-N 2.72Å; Y68-L72 VanDerWaalsContact O-CG 3.32Å; Y68-L72 WeakPolarHBondContact O-CG 3.3Å; Y68-L72 PolarHBondContact O-N 2.66Å
69	R	89.1	Confident	85.4	Confident	72 Å²	72	83 Å²	83	27%	0.272	45%	0.454	S	S	.	.	H	α-helix	trans	-60.9	-44.7	171.9	-173.1	-163.8	-166.4	82.5	1.6	110.8	P41 F44 F46 F65 Q66 L71 L72 F73	P41-R69 PolarHBondContact O-NH2 3.29Å; F44-R69 PolarHBondContact O-NH1 2.94Å; F44-R69 PolarHBondContact O-NH2 3.07Å; F46-R69 HydrophobicContact CE2-CB 4.24Å; F65-R69 WeakPolarHBondContact O-CB 3.42Å; F65-R69 PolarHBondContact O-N 2.92Å; Q66-R69 WeakPolarHBondContact O-CB 3.23Å; Q66-R69 PolarHBondContact O-N 2.87Å; Q66-R69 VanDerWaalsContact O-N 3.16Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.65Å; R69-L72 PolarHBondContact O-N 2.96Å; R69-F73 HydrophobicContact CG-CD2 3.99Å; R69-F73 HydrophobicContact CG-CE2 4.45Å; R69-F73 PolarHBondContact O-N 2.85Å
70	D	90.1	Very high	83.7	Confident	67 Å²	67	86.6 Å²	86.6	36%	0.358	46%	0.455	S	S	.	.	H	α-helix	trans	-66.5	-30.5	178.5	-67.6	-18.1	0	0	0	112	Q66 R67 Y68 G74	Q66-D70 PolarHBondContact O-N 3.21Å; R67-D70 PolarHBondContact O-N 2.91Å; Y68-D70 VanDerWaalsContact C-N 3.31Å; D70-G74 WeakPolarHBondContact O-CA 3.43Å; D70-G74 PolarHBondContact O-N 3.45Å
71	L	90.5	Very high	82	Confident	131 Å²	131	83.6 Å²	83.6	69%	0.686	44%	0.437	S	S	*	.	H	α-helix	trans	-71.7	-35.2	171.7	-71.5	171.5	0	0	0	113.2	R67 Y68 R69	R67-L71 WeakPolarHBondContact O-CG 2.74Å; R67-L71 PolarHBondContact O-N 3.43Å; Y68-L71 HydrophobicContact CD1-CD1 3.97Å; Y68-L71 HydrophobicContact CE1-CD1 4.28Å; Y68-L71 PolarHBondContact O-N 2.72Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.65Å
72	L	88.3	Confident	80.1	Confident	102 Å²	102	90.6 Å²	90.6	53%	0.534	46%	0.461	S	S	.	.	H	α-helix	trans	-76.1	-42.7	-177.4	-75.5	172.9	0	0	0	112.8	F44 F46 Y68 R69	F44-L72 HydrophobicContact CE1-CD1 4.22Å; F44-L72 HydrophobicContact CZ-CD1 4.07Å; F46-L72 HydrophobicContact CE2-CD1 4.49Å; F46-L72 HydrophobicContact CZ-CD1 3.99Å; Y68-L72 VanDerWaalsContact O-CG 3.32Å; Y68-L72 WeakPolarHBondContact O-CG 3.3Å; Y68-L72 PolarHBondContact O-N 2.66Å; R69-L72 PolarHBondContact O-N 2.96Å
73	F	89.2	Confident	78.3	Confident	38 Å²	38	92.2 Å²	92.2	17%	0.167	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-45.4	-176.6	-55.6	-69	0	0	0	110.4	L39 P41 F44 R69 W78	L39-F73 HydrophobicContact CB-CE1 4.09Å; L39-F73 HydrophobicContact CB-CZ 4.06Å; L39-F73 HydrophobicContact CD1-CZ 4.45Å; P41-F73 HydrophobicContact CB-CB 4.09Å; P41-F73 HydrophobicContact CB-CD1 3.91Å; P41-F73 HydrophobicContact CB-CG 3.88Å; P41-F73 HydrophobicContact CG-CB 4.27Å; P41-F73 HydrophobicContact CG-CD1 3.59Å; P41-F73 HydrophobicContact CG-CE1 4.21Å; P41-F73 HydrophobicContact CG-CG 4.04Å; F44-F73 HydrophobicContact CB-CE2 3.95Å; F44-F73 HydrophobicContact CB-CZ 3.9Å; F44-F73 HydrophobicContact CD1-CD2 4.47Å; F44-F73 AromaticContact CD1-CE2 3.42Å; F44-F73 HydrophobicContact CD1-CE2 3.42Å; F44-F73 VanDerWaalsContact CD1-CE2 3.42Å; F44-F73 HydrophobicContact CD1-CZ 4.01Å; F44-F73 HydrophobicContact CD2-CE2 4.42Å; F44-F73 HydrophobicContact CD2-CZ 4.21Å; F44-F73 AromaticContact CE1-CE2 3.95Å; F44-F73 HydrophobicContact CE1-CE2 3.95Å; F44-F73 AromaticContact CG-CE2 3.68Å; F44-F73 HydrophobicContact CG-CE2 3.68Å; F44-F73 AromaticContact CG-CZ 3.77Å; F44-F73 HydrophobicContact CG-CZ 3.77Å; R69-F73 HydrophobicContact CG-CD2 3.99Å; R69-F73 HydrophobicContact CG-CE2 4.45Å; R69-F73 PolarHBondContact O-N 2.85Å; F73-W78 HydrophobicContact CB-CZ2 3.94Å; F73-W78 WeakPolarHBondContact O-CH2 3.5Å; F73-W78 WeakPolarHBondContact O-CZ2 3.47Å
74	G	86.6	Confident	76.1	Confident	25 Å²	25	93.4 Å²	93.4	26%	0.258	49%	0.485	S	S	.	.			trans	111.7	158.7	-168.6	0	0	0	0	0	110.7	D70 G76 W78	D70-G74 WeakPolarHBondContact O-CA 3.43Å; D70-G74 PolarHBondContact O-N 3.45Å; G74-G76 PolarHBondContact O-N 2.98Å; G74-W78 PolarHBondContact O-NE1 2.94Å
75	S	74.8	Confident	74.1	Confident	112 Å²	112	94.8 Å²	94.8	78%	0.783	50%	0.501	S	S	*	.	S	Bend	trans	-80.8	6.3	-178.4	61.8	0	0	0	0	114.4
76	G	69.4	Low	72.1	Confident	44 Å²	44	97.2 Å²	97.2	45%	0.454	52%	0.515	S	S	.	.	S	Bend	trans	-75.8	160	-179.8	0	0	0	0	0	112.7	G74 W78	G74-G76 PolarHBondContact O-N 2.98Å; G76-W78 PolarHBondContact O-N 3.36Å; G76-W78 PolarHBondContact O-NE1 3.2Å
77	S	68.9	Low	70.4	Confident	122 Å²	122	92.8 Å²	92.8	85%	0.853	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-70.3	127.3	166.8	53.1	0	0	0	0	109.4
78	W	65.9	Low	68.7	Low	101 Å²	101	89.3 Å²	89.3	38%	0.383	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-94.7	127	-178.4	-63.9	97	0	0	0	110.1	P41 N42 F73 G74 G76 R80	P41-W78 HydrophobicContact CB-CB 3.71Å; P41-W78 VanDerWaalsContact CB-CD1 3.42Å; P41-W78 HydrophobicContact CB-CD2 3.66Å; P41-W78 HydrophobicContact CB-CE3 4.37Å; P41-W78 HydrophobicContact CB-CG 3.24Å; P41-W78 HydrophobicContact CG-CB 4.01Å; P41-W78 HydrophobicContact CG-CD2 3.51Å; P41-W78 HydrophobicContact CG-CE3 3.71Å; P41-W78 HydrophobicContact CG-CG 3.59Å; N42-W78 PolarHBondContact ND2-O 3.02Å; N42-W78 VanDerWaalsContact ND2-O 3.1Å; F73-W78 HydrophobicContact CB-CZ2 3.94Å; F73-W78 WeakPolarHBondContact O-CH2 3.5Å; F73-W78 WeakPolarHBondContact O-CZ2 3.47Å; G74-W78 PolarHBondContact O-NE1 2.94Å; G76-W78 PolarHBondContact O-N 3.36Å; G76-W78 PolarHBondContact O-NE1 3.2Å; W78-R80 PolarHBondContact O-N 2.89Å
79	P	60.6	Low	67.3	Low	106 Å²	106	85.1 Å²	85.1	69%	0.688	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-56.9	128.7	173.2	23.2	-30.8	0	0	0	108.6	N42 P81	N42-P79 PolarHBondContact ND2-O 3.17Å; N42-P79 VanDerWaalsContact ND2-O 3.14Å; P79-P81 VanDerWaalsContact O-CD 3.27Å; P79-P81 WeakPolarHBondContact O-CD 3.24Å
80	R	57.9	Low	66.1	Low	157 Å²	157	82.5 Å²	82.5	59%	0.592	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-66.2	118.8	178.3	-143.5	174	-154	-170.7	4.8	107.3	N42 W78 Y82	N42-R80 HydrophobicContact CB-CG 4.38Å; N42-R80 VanDerWaalsContact ND2-CA 3.35Å; N42-R80 WeakPolarHBondContact ND2-CA 3.43Å; W78-R80 PolarHBondContact O-N 2.89Å; R80-Y82 HydrophobicContact CB-CE1 4.37Å; R80-Y82 VanDerWaalsContact O-CD2 3.31Å; R80-Y82 WeakPolarHBondContact O-CD2 3.16Å; R80-Y82 VanDerWaalsContact O-CE2 3.32Å; R80-Y82 WeakPolarHBondContact O-CE2 3.35Å; R80-Y82 PolarHBondContact O-N 3.36Å
81	P	55.6	Low	65.1	Low	47 Å²	47	83 Å²	83	31%	0.305	46%	0.463	S	S	.	.			trans	-65	107.5	172.4	26.2	-31.2	0	0	0	106.7	Y40 P79 L83	Y40-P81 HydrophobicContact CD1-CB 4.12Å; Y40-P81 HydrophobicContact CD1-CG 3.65Å; Y40-P81 HydrophobicContact CE1-CB 4.17Å; Y40-P81 HydrophobicContact CE1-CG 4.17Å; Y40-P81 HydrophobicContact CG-CG 4.1Å; P79-P81 VanDerWaalsContact O-CD 3.27Å; P79-P81 WeakPolarHBondContact O-CD 3.24Å; P81-L83 PolarHBondContact O-N 3.31Å
82	Y	52.5	Low	64	Low	202 Å²	202	78 Å²	78	79%	0.792	44%	0.437	S	S	*	.			trans	-74.7	70.2	170.2	-39.6	-84.9	0	0	0	107.7	R80 T84	R80-Y82 HydrophobicContact CB-CE1 4.37Å; R80-Y82 VanDerWaalsContact O-CD2 3.31Å; R80-Y82 WeakPolarHBondContact O-CD2 3.16Å; R80-Y82 VanDerWaalsContact O-CE2 3.32Å; R80-Y82 WeakPolarHBondContact O-CE2 3.35Å; R80-Y82 PolarHBondContact O-N 3.36Å; Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 2.91Å
83	L	54.1	Low	63.5	Low	88 Å²	88	74.6 Å²	74.6	46%	0.461	42%	0.418	S	S	.	.			trans	-72.1	98	159.2	-72.8	174.6	0	0	0	105.4	P81 G85 L86	P81-L83 PolarHBondContact O-N 3.31Å; L83-G85 PolarHBondContact O-N 3.08Å; L83-L86 WeakPolarHBondContact CB-O 2.97Å; L83-L86 PolarHBondContact O-N 3.19Å
84	T	46	Very low	62.4	Low	144 Å²	144	74.7 Å²	74.7	88%	0.883	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.4	104.4	173.9	30.9	0	0	0	0	109.6	Y82	Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 2.91Å
85	G	50.4	Low	61.2	Low	42 Å²	42	76.2 Å²	76.2	43%	0.433	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-7.7	170.5	0	0	0	0	0	118.2	L83	L83-G85 PolarHBondContact O-N 3.08Å
86	L	50.5	Low	60.1	Low	81 Å²	81	75 Å²	75	42%	0.424	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	117.7	-176.2	-68.4	168.5	0	0	0	112.2	L83 L104 L106	L83-L86 WeakPolarHBondContact CB-O 2.97Å; L83-L86 PolarHBondContact O-N 3.19Å; L86-L104 HydrophobicContact CD2-CD2 3.94Å; L86-L104 HydrophobicContact CD2-CG 4.43Å; L86-L106 HydrophobicContact CD2-CD2 3.92Å
87	S	53.7	Low	59.3	Low	23 Å²	23	77.9 Å²	77.9	16%	0.161	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.9	171.1	-167.5	0	0	0	0	109.4	N43 E105	N43-S87 PolarHBondContact ND2-OG 3.05Å; N43-S87 PolarHBondContact OD1-OG 3.16Å; S87-E105 PolarHBondContact N-O 3.1Å; S87-E105 VanDerWaalsContact N-O 3.14Å; S87-E105 PolarHBondContact O-N 3.14Å
88	L	57.6	Low	58.6	Low	52 Å²	52	78.6 Å²	78.6	27%	0.272	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.3	172.9	-153.2	93.6	0	0	0	108.6	N43 L104	N43-L88 WeakPolarHBondContact CB-O 3.35Å; N43-L88 PolarHBondContact ND2-O 3.02Å; L88-L104 HydrophobicContact CD1-CD1 3.72Å; L88-L104 HydrophobicContact CD1-CG 4.42Å
89	S	62.6	Low	58.1	Low	32 Å²	32	76.5 Å²	76.5	22%	0.224	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	135.3	172	69.1	0	0	0	0	110.7	N43 S102 N103	N43-S89 WeakPolarHBondContact O-CA 3.22Å; S89-S102 WeakPolarHBondContact O-CA 3.32Å; S89-N103 PolarHBondContact N-O 3.08Å; S89-N103 VanDerWaalsContact N-O 3.11Å; S89-N103 PolarHBondContact O-N 3.29Å
90	F	62.4	Low	57.8	Low	16 Å²	16	73.4 Å²	73.4	7%	0.07	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.3	177	-166	-89.3	0	0	0	109.2	Y37 L39 N43 F44 Q45 L92 A100	Y37-F90 HydrophobicContact CD1-CE2 4.4Å; Y37-F90 HydrophobicContact CG-CE2 4.08Å; L39-F90 HydrophobicContact CD2-CB 3.92Å; L39-F90 HydrophobicContact CD2-CD1 3.37Å; L39-F90 HydrophobicContact CD2-CD2 3.59Å; L39-F90 HydrophobicContact CD2-CE1 3.52Å; L39-F90 HydrophobicContact CD2-CE2 3.78Å; L39-F90 HydrophobicContact CD2-CG 3.34Å; L39-F90 HydrophobicContact CD2-CZ 3.71Å; N43-F90 PolarHBondContact O-N 3.44Å; F44-F90 CarbonylContact C-O 3.52Å; F44-F90 VanDerWaalsContact CA-O 3.3Å; F44-F90 WeakPolarHBondContact CA-O 3.1Å; F44-F90 HydrophobicContact CD2-CB 4.24Å; F44-F90 AromaticContact CD2-CD1 3.61Å; F44-F90 HydrophobicContact CD2-CD1 3.61Å; F44-F90 HydrophobicContact CD2-CE1 4.41Å; F44-F90 HydrophobicContact CD2-CG 4.36Å; F44-F90 AromaticContact CE2-CD1 3.67Å; F44-F90 HydrophobicContact CE2-CD1 3.67Å; F44-F90 HydrophobicContact CE2-CE1 4.08Å; Q45-F90 PolarHBondContact N-O 3.18Å; F90-L92 HydrophobicContact CD1-CD2 4.23Å; F90-L92 HydrophobicContact CD1-CG 4.22Å; F90-L92 HydrophobicContact CE1-CD1 4.43Å; F90-L92 HydrophobicContact CE1-CD2 3.42Å; F90-L92 VanDerWaalsContact CE1-CD2 3.42Å; F90-L92 HydrophobicContact CE1-CG 3.78Å; F90-L92 HydrophobicContact CZ-CD2 4.12Å; F90-A100 HydrophobicContact CE1-CB 3.98Å; F90-A100 HydrophobicContact CE2-CB 3.68Å; F90-A100 HydrophobicContact CZ-CB 3.21Å
91	R	69.4	Low	57.8	Low	77 Å²	77	69.4 Å²	69.4	29%	0.291	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.9	-175.4	174.7	-178	-59.6	-130.8	-9.9	109.2	Q45 Q47 E93 Y101	Q45-R91 WeakPolarHBondContact O-CA 3.48Å; Q47-R91 HydrophobicContact CB-CG 4.3Å; Q47-R91 VanDerWaalsContact NE2-CD 3.31Å; Q47-R91 VanDerWaalsContact NE2-CG 3.31Å; Q47-R91 VanDerWaalsContact NE2-NH2 3.16Å; R91-E93 HydrophobicContact CG-CG 4.24Å; R91-Y101 HydrophobicContact CB-CD2 4.1Å; R91-Y101 HydrophobicContact CG-CD2 4.19Å; R91-Y101 HydrophobicContact CG-CE2 4.44Å; R91-Y101 PolarHBondContact N-O 2.97Å; R91-Y101 WeakPolarHBondContact O-CD2 3.31Å; R91-Y101 PolarHBondContact O-N 3.11Å
92	L	66.9	Low	57.9	Low	27 Å²	27	69.9 Å²	69.9	14%	0.141	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.4	170.1	-70.1	-171.9	0	0	0	109.7	F44 Q45 F46 Q47 F90 I98 A100	F44-L92 HydrophobicContact CE2-CD1 3.81Å; F44-L92 HydrophobicContact CE2-CG 3.91Å; F44-L92 HydrophobicContact CZ-CD1 3.74Å; F44-L92 HydrophobicContact CZ-CG 4.13Å; Q45-L92 PolarHBondContact O-N 3.18Å; Q45-L92 VanDerWaalsContact O-N 3.1Å; F46-L92 HydrophobicContact CD1-CB 3.97Å; F46-L92 HydrophobicContact CD1-CD1 4.32Å; F46-L92 HydrophobicContact CE1-CB 4.31Å; F46-L92 HydrophobicContact CE1-CD1 3.82Å; Q47-L92 PolarHBondContact N-O 2.93Å; F90-L92 HydrophobicContact CD1-CD2 4.23Å; F90-L92 HydrophobicContact CD1-CG 4.22Å; F90-L92 HydrophobicContact CE1-CD1 4.43Å; F90-L92 HydrophobicContact CE1-CD2 3.42Å; F90-L92 VanDerWaalsContact CE1-CD2 3.42Å; F90-L92 HydrophobicContact CE1-CG 3.78Å; F90-L92 HydrophobicContact CZ-CD2 4.12Å; L92-I98 HydrophobicContact CD1-CG2 4.26Å; L92-I98 HydrophobicContact CD2-CG2 3.7Å; L92-I98 HydrophobicContact CG-CG2 4.42Å; L92-A100 HydrophobicContact CD2-CB 4.04Å
93	E	78.8	Confident	58.1	Low	31 Å²	31	64.3 Å²	64.3	15%	0.145	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138	179.1	-83.1	176.8	-178.7	0	0	112.3	Q47 D49 R91 Y101	Q47-E93 HydrophobicContact CB-CG 4.45Å; Q47-E93 WeakPolarHBondContact O-CA 3.41Å; D49-E93 HydrophobicContact CB-CB 4.3Å; R91-E93 HydrophobicContact CG-CG 4.24Å; E93-Y101 HydrophobicContact CB-CE2 4.04Å; E93-Y101 VanDerWaalsContact CD-CE2 3.46Å; E93-Y101 HydrophobicContact CG-CE2 3.76Å; E93-Y101 WeakPolarHBondContact OE2-CE2 3.27Å; E93-Y101 VanDerWaalsContact OE2-CZ 3.22Å; E93-Y101 PolarHBondContact OE2-OH 3.07Å
94	C	66.1	Low	58	Low	40 Å²	40	65.5 Å²	65.5	27%	0.27	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	85.3	-178.4	-65.4	0	0	0	0	110.7	Q47 S52 F65	Q47-C94 PolarHBondContact O-N 2.88Å; S52-C94 PolarHBondContact OG-O 2.87Å; S52-C94 VanDerWaalsContact OG-O 3.11Å; F65-C94 HydrophobicContact CE1-CB 4.38Å; F65-C94 WeakPolarHBondContact CE1-SG 3.35Å; F65-C94 HydrophobicContact CZ-CB 3.97Å; F65-C94 WeakPolarHBondContact CZ-SG 3.49Å
95	S	60.2	Low	58.4	Low	56 Å²	56	64.2 Å²	64.2	39%	0.392	38%	0.382	S	S	.	.	S	Bend	trans	-126.8	25.7	173.1	-124.9	0	0	0	0	113.6	D49 V97	D49-S95 VanDerWaalsContact CB-CB 3.41Å; D49-S95 VanDerWaalsContact CB-OG 3.24Å; D49-S95 WeakPolarHBondContact CB-OG 3.47Å; D49-S95 VanDerWaalsContact CG-OG 3.25Å; D49-S95 WeakPolarHBondContact OD1-CB 3.39Å; D49-S95 PolarHBondContact OD1-OG 3.02Å; S95-V97 PolarHBondContact O-N 3.14Å
96	G	53.3	Low	58.1	Low	87 Å²	87	69.1 Å²	69.1	90%	0.897	40%	0.397	S	S	*	.	S	Bend	trans	84.7	-12.2	-174.2	0	0	0	0	0	114.3
97	V	52.7	Low	57.9	Low	104 Å²	104	70.7 Å²	70.7	63%	0.63	40%	0.402	S	S	*	.	S	Bend	trans	-121.5	131.4	165.7	178.3	0	0	0	0	107.6	S95 T99	S95-V97 PolarHBondContact O-N 3.14Å; V97-T99 PolarHBondContact O-N 3.32Å
98	I	52.6	Low	57.4	Low	138 Å²	138	76.1 Å²	76.1	71%	0.708	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	103.2	174.8	-58.9	174.9	0	0	0	107.2	L92	L92-I98 HydrophobicContact CD1-CG2 4.26Å; L92-I98 HydrophobicContact CD2-CG2 3.7Å; L92-I98 HydrophobicContact CG-CG2 4.42Å
99	T	55.3	Low	56.8	Low	56 Å²	56	79.4 Å²	79.4	34%	0.344	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.7	174.3	-41.1	0	0	0	0	109.3	V97 Y101	V97-T99 PolarHBondContact O-N 3.32Å; T99-Y101 VanDerWaalsContact CB-OH 3.27Å; T99-Y101 WeakPolarHBondContact CB-OH 3.41Å; T99-Y101 HydrophobicContact CG2-CD1 3.98Å; T99-Y101 HydrophobicContact CG2-CE1 3.23Å
100	A	55.7	Low	56.3	Low	41 Å²	41	82 Å²	82	34%	0.339	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.6	179.1	0	0	0	0	0	109.6	F90 L92	F90-A100 HydrophobicContact CE1-CB 3.98Å; F90-A100 HydrophobicContact CE2-CB 3.68Å; F90-A100 HydrophobicContact CZ-CB 3.21Å; L92-A100 HydrophobicContact CD2-CB 4.04Å
101	Y	56.7	Low	55.7	Low	74 Å²	74	86.6 Å²	86.6	29%	0.29	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.5	175.2	-29.8	-84.6	0	0	0	109.2	R91 E93 T99	R91-Y101 HydrophobicContact CB-CD2 4.1Å; R91-Y101 HydrophobicContact CG-CD2 4.19Å; R91-Y101 HydrophobicContact CG-CE2 4.44Å; R91-Y101 PolarHBondContact N-O 2.97Å; R91-Y101 WeakPolarHBondContact O-CD2 3.31Å; R91-Y101 PolarHBondContact O-N 3.11Å; E93-Y101 HydrophobicContact CB-CE2 4.04Å; E93-Y101 VanDerWaalsContact CD-CE2 3.46Å; E93-Y101 HydrophobicContact CG-CE2 3.76Å; E93-Y101 WeakPolarHBondContact OE2-CE2 3.27Å; E93-Y101 VanDerWaalsContact OE2-CZ 3.22Å; E93-Y101 PolarHBondContact OE2-OH 3.07Å; T99-Y101 VanDerWaalsContact CB-OH 3.27Å; T99-Y101 WeakPolarHBondContact CB-OH 3.41Å; T99-Y101 HydrophobicContact CG2-CD1 3.98Å; T99-Y101 HydrophobicContact CG2-CE1 3.23Å
102	S	57.9	Low	54.3	Low	56 Å²	56	91 Å²	91	39%	0.392	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.8	167.3	57.1	0	0	0	0	108.9	S89	S89-S102 WeakPolarHBondContact O-CA 3.32Å
103	N	58.3	Low	53	Low	85 Å²	85	94.6 Å²	94.6	46%	0.455	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.7	134.7	169.1	-76.7	-50.3	0	0	0	109.6	S89	S89-N103 PolarHBondContact N-O 3.08Å; S89-N103 VanDerWaalsContact N-O 3.11Å; S89-N103 PolarHBondContact O-N 3.29Å
104	L	51.3	Low	51.2	Low	114 Å²	114	98.4 Å²	98.4	60%	0.597	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.7	104.8	165.9	-98.2	77.9	0	0	0	107.7	L86 L88	L86-L104 HydrophobicContact CD2-CD2 3.94Å; L86-L104 HydrophobicContact CD2-CG 4.43Å; L88-L104 HydrophobicContact CD1-CD1 3.72Å; L88-L104 HydrophobicContact CD1-CG 4.42Å
105	E	55	Low	50.4	Low	117 Å²	117	101 Å²	101	55%	0.547	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.7	115.8	170.2	-142.7	75.6	-174.2	0	0	108.4	S87 Q107	S87-E105 PolarHBondContact N-O 3.1Å; S87-E105 VanDerWaalsContact N-O 3.14Å; S87-E105 PolarHBondContact O-N 3.14Å; E105-Q107 PolarHBondContact O-N 2.9Å
106	L	43	Very low	49.6	Very low	144 Å²	144	106.6 Å²	106.6	75%	0.754	64%	0.643	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.5	111.8	169.3	-75.6	163.7	0	0	0	107.8	L86 D108	L86-L106 HydrophobicContact CD2-CD2 3.92Å; L106-D108 PolarHBondContact O-N 3.3Å
107	Q	45.8	Very low	49	Very low	114 Å²	114	111.6 Å²	111.6	53%	0.533	65%	0.645	S	S	.	*			trans	-72.2	117.7	169.2	-89.2	176.4	85.8	0	0	108.3	E105 S109	E105-Q107 PolarHBondContact O-N 2.9Å; Q107-S109 PolarHBondContact O-N 3.26Å
108	D	44.8	Very low	48.5	Very low	137 Å²	137	112 Å²	112	73%	0.733	65%	0.653	S	S	*	*			trans	-53.1	127.3	173.2	-164.8	-48	0	0	0	109.5	L106 S110	L106-D108 PolarHBondContact O-N 3.3Å; D108-S110 PolarHBondContact O-N 2.73Å; D108-S110 PolarHBondContact OD1-OG 2.88Å
109	S	44.1	Very low	47.9	Very low	121 Å²	121	114.9 Å²	114.9	85%	0.846	69%	0.685	S	S	*	*	S	Bend	trans	-78.2	63.6	-173.8	-50.9	0	0	0	0	110.2	Q107	Q107-S109 PolarHBondContact O-N 3.26Å
110	S	51.3	Low	47.6	Very low	86 Å²	86	117.9 Å²	117.9	60%	0.601	70%	0.702	S	S	*	*			trans	-138.7	54.6	-176.1	38.3	0	0	0	0	112.8	D108	D108-S110 PolarHBondContact O-N 2.73Å; D108-S110 PolarHBondContact OD1-OG 2.88Å
111	S	50.8	Low	47.1	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	72%	0.721	S	S	*	*			trans	-170.3	76.8	147.9	42.4	0	0	0	0	111.5	P113	S111-P113 WeakPolarHBondContact O-CD 3.46Å
112	L	40.5	Very low	46.6	Very low	170 Å²	170	124.6 Å²	124.6	89%	0.89	75%	0.745	S	S	*	*			trans	-71.4	122.8	155.1	-69.1	169.7	0	0	0	107.2	A114	L112-A114 PolarHBondContact O-N 2.81Å
113	P	38.3	Very low	45.9	Very low	101 Å²	101	128.6 Å²	128.6	66%	0.656	77%	0.766	S	S	*	*			trans	-67.6	127	166.6	27.7	-30.3	0	0	0	108.1	S111 S115	S111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-S115 PolarHBondContact O-N 3.36Å
114	A	42.4	Very low	45.2	Very low	111 Å²	111	131.3 Å²	131.3	92%	0.917	79%	0.786	S	S	*	*	S	Bend	trans	-68.9	31.4	-178	0	0	0	0	0	114.3	L112	L112-A114 PolarHBondContact O-N 2.81Å
115	S	48.6	Very low	44.8	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	80%	0.798	S	S	*	*			trans	-114.2	16.9	-169	44.5	0	0	0	0	115.2	P113	P113-S115 PolarHBondContact O-N 3.36Å
116	L	43.2	Very low	44	Very low	173 Å²	173	133.6 Å²	133.6	91%	0.906	82%	0.816	S	S	*	*	S	Bend	trans	-120.1	15.6	174.2	-86.6	163.6	0	0	0	115.3
117	M	41.8	Very low	44.1	Very low	192 Å²	192	132.8 Å²	132.8	95%	0.946	82%	0.821	S	S	*	*	S	Bend	trans	-109.1	64.6	164.9	-86.5	169.3	124.3	0	0	110.3
118	S	41	Very low	44	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	85%	0.845	S	S	*	*			trans	-169.9	96.5	153.8	-161	0	0	0	0	111.2
119	S	40.8	Very low	43.9	Very low	199 Å²	199	134.1 Å²	134.1	100%	1.392	86%	0.855	S	S	*	*			trans	177.3	0	134.8	-77.3	0	0	0	0	109.3

Retrieved 119 of 119 residues in 44.6 ms (Link to these results)

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