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Small nuclear ribonucleoprotein Sm D2

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome. Component of both the pre-catalytic spliceosome B complex and activated spliceosome C complexes. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A669D448, Species ORENI (Oreochromis niloticus, Nile tilapia), Gene SNRPD2, Length 118 aa.

						>A0A669D448_ORENI|A0A669D448|SNRPD2
MSLLTKPKSEMTPEELQKREEEEFNTGPLSVLTQSVKNNTQVLINCRNNKKLLGRVKAFDRHCNMVLENVKEMWTEVPKSGKGKKKSKPVNKDRYISKMFLRGDSVIVVLRNPLITGK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.9	Very low	75.1	Confident	230 Å²	230	99.7 Å²	99.7	100%	1.133	53%	0.534	S	S	*	.				0	112.9	0	-72.2	-87.4	-118.5	0	0	106.7	L3	M1-L3 PolarHBondContact O-N 3.37Å
2	S	56.5	Low	76.5	Confident	64 Å²	64	97 Å²	97	45%	0.448	52%	0.524	S	S	.	.			trans	-65.8	131.5	-173.2	65.8	0	0	0	0	110.3	L4 T5	S2-L4 PolarHBondContact O-N 3.04Å; S2-T5 PolarHBondContact O-N 3.46Å; S2-T5 PolarHBondContact O-OG1 2.95Å; S2-T5 VanDerWaalsContact O-OG1 3.06Å
3	L	60.4	Low	77.5	Confident	36 Å²	36	97.8 Å²	97.8	19%	0.188	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.3	175.1	-70.8	163.6	0	0	0	112.6	M1 E15 K18	M1-L3 PolarHBondContact O-N 3.37Å; L3-E15 HydrophobicContact CD2-CG 4.47Å; L3-K18 HydrophobicContact CD1-CD 4.29Å
4	L	65.1	Low	78.5	Confident	123 Å²	123	102.1 Å²	102.1	64%	0.644	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-24.8	179.2	-75.1	150.6	0	0	0	113.8	S2	S2-L4 PolarHBondContact O-N 3.04Å
5	T	76	Confident	79.2	Confident	110 Å²	110	98.4 Å²	98.4	68%	0.675	53%	0.529	S	S	*	.	S	Bend	trans	-91.4	-17.3	-176.9	51.4	0	0	0	0	113.8	S2	S2-T5 PolarHBondContact O-N 3.46Å; S2-T5 PolarHBondContact O-OG1 2.95Å; S2-T5 VanDerWaalsContact O-OG1 3.06Å
6	K	82.8	Confident	79.8	Confident	91 Å²	91	96.2 Å²	96.2	40%	0.396	52%	0.517	S	S	.	.	S	Bend	trans	-74.5	136	174.2	-70.8	-173.3	-177.7	-178.9	0	110.9	M11 E15 R19	K6-M11 HydrophobicContact CB-CE 4.24Å; K6-M11 HydrophobicContact CB-CG 4.42Å; K6-M11 VanDerWaalsContact O-CE 3.28Å; K6-M11 WeakPolarHBondContact O-CE 3.39Å; K6-E15 IonicContact NZ-OE1 3.11Å; K6-E15 PolarHBondContact NZ-OE1 2.95Å; K6-R19 PolarHBondContact O-NH1 3.39Å
7	P	86.7	Confident	80.4	Confident	60 Å²	60	98.7 Å²	98.7	39%	0.39	53%	0.525	S	S	.	.			trans	-66.2	142.1	173.6	27.4	-32.9	0	0	0	111	S9 E10	P7-S9 PolarHBondContact O-N 3.16Å; P7-S9 VanDerWaalsContact O-N 3.13Å; P7-E10 HydrophobicContact CG-CB 4.19Å; P7-E10 VanDerWaalsContact CG-CD 3.43Å; P7-E10 HydrophobicContact CG-CG 3.92Å; P7-E10 WeakPolarHBondContact CG-OE2 3.45Å; P7-E10 PolarHBondContact O-N 3.22Å; P7-E10 VanDerWaalsContact O-N 3.14Å
8	K	85.3	Confident	80.9	Confident	113 Å²	113	99.9 Å²	99.9	49%	0.491	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-59.2	-25.7	-177.8	-70.7	-170.3	177.4	-169	0	113.4	E10 M11 L16 E23	K8-E10 VanDerWaalsContact C-N 3.28Å; K8-E10 PolarHBondContact O-N 3.49Å; K8-M11 HydrophobicContact CB-CE 4.43Å; K8-M11 HydrophobicContact CG-CE 4.12Å; K8-L16 HydrophobicContact CB-CD2 4.19Å; K8-L16 HydrophobicContact CG-CD2 4.35Å; K8-E23 IonicContact NZ-OE1 3.51Å; K8-E23 IonicContact NZ-OE2 3.84Å
9	S	89.1	Confident	81.3	Confident	107 Å²	107	96.4 Å²	96.4	75%	0.748	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-69.4	-21.4	179.3	48.4	0	0	0	0	114.3	P7	P7-S9 PolarHBondContact O-N 3.16Å; P7-S9 VanDerWaalsContact O-N 3.13Å
10	E	88.9	Confident	81.7	Confident	147 Å²	147	94.1 Å²	94.1	69%	0.687	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-105.9	-0.7	-174.6	-65.7	174	-165.4	0	0	112.9	P7 K8	P7-E10 HydrophobicContact CG-CB 4.19Å; P7-E10 VanDerWaalsContact CG-CD 3.43Å; P7-E10 HydrophobicContact CG-CG 3.92Å; P7-E10 WeakPolarHBondContact CG-OE2 3.45Å; P7-E10 PolarHBondContact O-N 3.22Å; P7-E10 VanDerWaalsContact O-N 3.14Å; K8-E10 VanDerWaalsContact C-N 3.28Å; K8-E10 PolarHBondContact O-N 3.49Å
11	M	88.3	Confident	82	Confident	16 Å²	16	95.3 Å²	95.3	8%	0.079	49%	0.493	C	S	.	.	S	Bend	trans	-85.3	145.9	-179.8	-88.4	-179.6	-93.3	0	0	111.9	K6 K8 E15 L16	K6-M11 HydrophobicContact CB-CE 4.24Å; K6-M11 HydrophobicContact CB-CG 4.42Å; K6-M11 VanDerWaalsContact O-CE 3.28Å; K6-M11 WeakPolarHBondContact O-CE 3.39Å; K8-M11 HydrophobicContact CB-CE 4.43Å; K8-M11 HydrophobicContact CG-CE 4.12Å; M11-E15 WeakPolarHBondContact CA-OE2 2.8Å; M11-E15 HydrophobicContact CB-CB 3.99Å; M11-E15 HydrophobicContact CG-CB 3.91Å; M11-E15 HydrophobicContact SD-CB 4.18Å; M11-L16 HydrophobicContact CB-CD2 3.92Å; M11-L16 HydrophobicContact CB-CG 3.84Å; M11-L16 HydrophobicContact CE-CD2 4.43Å; M11-L16 HydrophobicContact SD-CD2 4.34Å
12	T	92.3	Very high	84	Confident	67 Å²	67	87.9 Å²	87.9	41%	0.411	46%	0.456	S	S	.	.			trans	-68.5	160.5	169.9	70.8	0	0	0	0	110.7	E14 E15 L16	T12-E14 PolarHBondContact O-N 3.23Å; T12-E15 PolarHBondContact N-OE2 3.34Å; T12-E15 VanDerWaalsContact N-OE2 3.09Å; T12-E15 PolarHBondContact O-N 3.09Å; T12-E15 VanDerWaalsContact O-N 3.16Å; T12-E15 WeakPolarHBondContact OG1-CG 3.45Å; T12-E15 PolarHBondContact OG1-N 2.63Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 3.25Å
13	P	89.9	Confident	85.6	Confident	107 Å²	107	88.1 Å²	88.1	70%	0.695	45%	0.45	S	S	*	.	H	α-helix	trans	-55.2	-36.9	175.7	-26.7	35.5	0	0	0	113.4	L16 Q17	P13-L16 PolarHBondContact O-N 3.46Å; P13-Q17 PolarHBondContact O-N 3.4Å
14	E	90.9	Very high	87.1	Confident	158 Å²	158	88.3 Å²	88.3	74%	0.738	45%	0.449	S	S	*	.	H	α-helix	trans	-69	-42.4	177.9	-63.3	178.3	175.7	0	0	112	T12 L16 Q17 K18	T12-E14 PolarHBondContact O-N 3.23Å; E14-L16 VanDerWaalsContact C-N 3.33Å; E14-L16 PolarHBondContact O-N 2.95Å; E14-Q17 PolarHBondContact O-N 3.48Å; E14-K18 WeakPolarHBondContact O-CB 3.48Å; E14-K18 PolarHBondContact O-N 2.81Å
15	E	89.6	Confident	88.3	Confident	47 Å²	47	85.8 Å²	85.8	22%	0.22	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-40.3	175	-74.6	-179.6	138.4	0	0	111.2	L3 K6 M11 T12 K18 R19	L3-E15 HydrophobicContact CD2-CG 4.47Å; K6-E15 IonicContact NZ-OE1 3.11Å; K6-E15 PolarHBondContact NZ-OE1 2.95Å; M11-E15 WeakPolarHBondContact CA-OE2 2.8Å; M11-E15 HydrophobicContact CB-CB 3.99Å; M11-E15 HydrophobicContact CG-CB 3.91Å; M11-E15 HydrophobicContact SD-CB 4.18Å; T12-E15 PolarHBondContact N-OE2 3.34Å; T12-E15 VanDerWaalsContact N-OE2 3.09Å; T12-E15 PolarHBondContact O-N 3.09Å; T12-E15 VanDerWaalsContact O-N 3.16Å; T12-E15 WeakPolarHBondContact OG1-CG 3.45Å; T12-E15 PolarHBondContact OG1-N 2.63Å; E15-K18 PolarHBondContact O-N 2.96Å; E15-R19 VanDerWaalsContact O-CB 3.3Å; E15-R19 WeakPolarHBondContact O-CB 3.3Å; E15-R19 PolarHBondContact O-N 2.94Å
16	L	88.8	Confident	89	Confident	63 Å²	63	86.3 Å²	86.3	33%	0.33	44%	0.44	S	S	.	.	H	α-helix	trans	-62.5	-44.7	176.2	-74	171.9	0	0	0	112	K8 M11 T12 P13 E14 R19 E20	K8-L16 HydrophobicContact CB-CD2 4.19Å; K8-L16 HydrophobicContact CG-CD2 4.35Å; M11-L16 HydrophobicContact CB-CD2 3.92Å; M11-L16 HydrophobicContact CB-CG 3.84Å; M11-L16 HydrophobicContact CE-CD2 4.43Å; M11-L16 HydrophobicContact SD-CD2 4.34Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 3.25Å; P13-L16 PolarHBondContact O-N 3.46Å; E14-L16 VanDerWaalsContact C-N 3.33Å; E14-L16 PolarHBondContact O-N 2.95Å; L16-R19 PolarHBondContact O-N 3.49Å; L16-E20 WeakPolarHBondContact O-CB 3.34Å; L16-E20 PolarHBondContact O-N 2.94Å
17	Q	88.8	Confident	89.4	Confident	139 Å²	139	83 Å²	83	65%	0.65	43%	0.431	S	S	*	.	H	α-helix	trans	-65	-44.1	179.3	-172.5	173.6	2.9	0	0	111.5	P13 E14 R19 E20 E21	P13-Q17 PolarHBondContact O-N 3.4Å; E14-Q17 PolarHBondContact O-N 3.48Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3Å; Q17-E20 PolarHBondContact O-N 2.94Å; Q17-E21 PolarHBondContact O-N 3.43Å
18	K	89.3	Confident	89.7	Confident	120 Å²	120	85.9 Å²	85.9	52%	0.522	45%	0.45	S	S	.	.	H	α-helix	trans	-62.2	-42.3	176.9	-172.5	174.6	179.8	177.9	0	111.8	L3 E14 E15 E21 E22	L3-K18 HydrophobicContact CD1-CD 4.29Å; E14-K18 WeakPolarHBondContact O-CB 3.48Å; E14-K18 PolarHBondContact O-N 2.81Å; E15-K18 PolarHBondContact O-N 2.96Å; K18-E21 PolarHBondContact O-N 3.14Å; K18-E22 WeakPolarHBondContact O-CG 3.4Å; K18-E22 PolarHBondContact O-N 2.83Å
19	R	88.7	Confident	90.1	Very high	34 Å²	34	82.2 Å²	82.2	13%	0.128	44%	0.436	C	S	.	.	H	α-helix	trans	-63.8	-41.3	175.6	-178.6	-179.6	158.7	165.1	2.6	111.9	K6 E15 L16 Q17 E21 E22 E23	K6-R19 PolarHBondContact O-NH1 3.39Å; E15-R19 VanDerWaalsContact O-CB 3.3Å; E15-R19 WeakPolarHBondContact O-CB 3.3Å; E15-R19 PolarHBondContact O-N 2.94Å; L16-R19 PolarHBondContact O-N 3.49Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3Å; R19-E21 VanDerWaalsContact C-N 3.34Å; R19-E22 PolarHBondContact O-N 3.11Å; R19-E23 IonicContact CZ-OE1 2.93Å; R19-E23 IonicContact NE-OE1 3.82Å; R19-E23 PolarHBondContact NE-OE1 2.85Å; R19-E23 IonicContact NH2-OE1 2.67Å; R19-E23 PolarHBondContact NH2-OE1 3.5Å; R19-E23 WeakPolarHBondContact O-CB 3.3Å; R19-E23 WeakPolarHBondContact O-CG 3.36Å; R19-E23 PolarHBondContact O-N 3.07Å
20	E	89.4	Confident	90.4	Very high	49 Å²	49	78.2 Å²	78.2	23%	0.229	41%	0.407	C	S	.	.	H	α-helix	trans	-62.9	-40.9	175.9	-178.7	164.6	-165.4	0	0	111.5	L16 Q17 E23 F24 R61	L16-E20 WeakPolarHBondContact O-CB 3.34Å; L16-E20 PolarHBondContact O-N 2.94Å; Q17-E20 PolarHBondContact O-N 2.94Å; E20-E23 PolarHBondContact O-N 3.05Å; E20-F24 HydrophobicContact CG-CD2 4.13Å; E20-F24 HydrophobicContact CG-CE1 4.32Å; E20-F24 HydrophobicContact CG-CE2 3.51Å; E20-F24 HydrophobicContact CG-CZ 3.61Å; E20-F24 WeakPolarHBondContact O-CD2 3.33Å; E20-F24 VanDerWaalsContact O-CG 3.31Å; E20-F24 WeakPolarHBondContact O-CG 3.4Å; E20-F24 PolarHBondContact O-N 3.45Å; E20-F24 WeakPolarHBondContact OE1-CZ 3.43Å; E20-R61 WeakPolarHBondContact OE1-CB 3.45Å; E20-R61 WeakPolarHBondContact OE1-CD 3.38Å; E20-R61 IonicContact OE1-NH1 2.91Å; E20-R61 IonicContact OE2-NH1 2.94Å; E20-R61 PolarHBondContact OE2-NH1 3.27Å
21	E	88.8	Confident	90.6	Very high	120 Å²	120	73.9 Å²	73.9	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-65.4	-40.3	175.1	-171	170.4	-162.2	0	0	112.6	Q17 K18 R19 F24 N25	Q17-E21 PolarHBondContact O-N 3.43Å; K18-E21 PolarHBondContact O-N 3.14Å; R19-E21 VanDerWaalsContact C-N 3.34Å; E21-F24 PolarHBondContact O-N 2.88Å; E21-N25 PolarHBondContact O-N 2.81Å; E21-N25 VanDerWaalsContact O-N 3.09Å; E21-N25 PolarHBondContact O-ND2 2.88Å
22	E	89.4	Confident	90.9	Very high	75 Å²	75	73.4 Å²	73.4	35%	0.35	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-44.1	172.6	-74.2	174.7	-169.7	0	0	111.4	K18 R19 F24 N25 T26	K18-E22 WeakPolarHBondContact O-CG 3.4Å; K18-E22 PolarHBondContact O-N 2.83Å; R19-E22 PolarHBondContact O-N 3.11Å; E22-F24 VanDerWaalsContact C-N 3.31Å; E22-F24 PolarHBondContact O-N 2.92Å; E22-N25 PolarHBondContact O-N 2.8Å; E22-T26 PolarHBondContact O-N 2.82Å; E22-T26 PolarHBondContact O-OG1 2.77Å
23	E	89.8	Confident	91.1	Very high	69 Å²	69	71 Å²	71	32%	0.322	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-37.9	175.9	-76.1	176.3	-171.6	0	0	111.2	K8 R19 E20 G27	K8-E23 IonicContact NZ-OE1 3.51Å; K8-E23 IonicContact NZ-OE2 3.84Å; R19-E23 IonicContact CZ-OE1 2.93Å; R19-E23 IonicContact NE-OE1 3.82Å; R19-E23 PolarHBondContact NE-OE1 2.85Å; R19-E23 IonicContact NH2-OE1 2.67Å; R19-E23 PolarHBondContact NH2-OE1 3.5Å; R19-E23 WeakPolarHBondContact O-CB 3.3Å; R19-E23 WeakPolarHBondContact O-CG 3.36Å; R19-E23 PolarHBondContact O-N 3.07Å; E20-E23 PolarHBondContact O-N 3.05Å; E23-G27 VanDerWaalsContact O-CA 3.23Å; E23-G27 WeakPolarHBondContact O-CA 3.28Å; E23-G27 PolarHBondContact O-N 2.92Å
24	F	91.9	Very high	91.2	Very high	39 Å²	39	70.2 Å²	70.2	17%	0.171	36%	0.361	C	S	.	.	H	α-helix	trans	-71.9	-29	175.5	-69.9	-26.8	0	0	0	114.5	E20 E21 E22 L29 S30 T33 F59 R61	E20-F24 HydrophobicContact CG-CD2 4.13Å; E20-F24 HydrophobicContact CG-CE1 4.32Å; E20-F24 HydrophobicContact CG-CE2 3.51Å; E20-F24 HydrophobicContact CG-CZ 3.61Å; E20-F24 WeakPolarHBondContact O-CD2 3.33Å; E20-F24 VanDerWaalsContact O-CG 3.31Å; E20-F24 WeakPolarHBondContact O-CG 3.4Å; E20-F24 PolarHBondContact O-N 3.45Å; E20-F24 WeakPolarHBondContact OE1-CZ 3.43Å; E21-F24 PolarHBondContact O-N 2.88Å; E22-F24 VanDerWaalsContact C-N 3.31Å; E22-F24 PolarHBondContact O-N 2.92Å; F24-L29 HydrophobicContact CD1-CB 4.07Å; F24-L29 HydrophobicContact CD1-CD1 3.72Å; F24-L29 HydrophobicContact CE1-CD1 3.56Å; F24-S30 WeakPolarHBondContact O-CA 3.47Å; F24-S30 PolarHBondContact O-N 2.91Å; F24-T33 PolarHBondContact O-OG1 3.39Å; F24-F59 AromaticContact CD1-CE2 3.84Å; F24-F59 HydrophobicContact CD1-CE2 3.84Å; F24-F59 HydrophobicContact CD1-CZ 4.31Å; F24-F59 AromaticContact CE1-CE2 3.96Å; F24-F59 HydrophobicContact CE1-CE2 3.96Å; F24-F59 HydrophobicContact CG-CE2 4.25Å; F24-F59 HydrophobicContact CG-CZ 4.29Å; F24-F59 HydrophobicContact CZ-CE2 4.44Å; F24-R61 HydrophobicContact CE1-CB 4.23Å; F24-R61 HydrophobicContact CZ-CB 4.09Å
25	N	90.6	Very high	91.4	Very high	71 Å²	71	62.7 Å²	62.7	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-89.5	-32.7	-178.5	-74.6	-60.8	0	0	0	112.9	E21 E22 S30 K37	E21-N25 PolarHBondContact O-N 2.81Å; E21-N25 VanDerWaalsContact O-N 3.09Å; E21-N25 PolarHBondContact O-ND2 2.88Å; E22-N25 PolarHBondContact O-N 2.8Å; N25-S30 VanDerWaalsContact O-CB 3.3Å; N25-S30 WeakPolarHBondContact O-CB 3.35Å; N25-K37 PolarHBondContact OD1-NZ 2.73Å
26	T	90.6	Very high	91.6	Very high	121 Å²	121	62.7 Å²	62.7	74%	0.742	33%	0.329	S	S	*	.	H	α-helix	trans	-110	-18.8	-173.6	62.9	0	0	0	0	113.9	E22	E22-T26 PolarHBondContact O-N 2.82Å; E22-T26 PolarHBondContact O-OG1 2.77Å
27	G	91	Very high	91.9	Very high	20 Å²	20	66.7 Å²	66.7	21%	0.206	34%	0.344	C	S	.	.	S	Bend	trans	-88.6	-170.2	-176.5	0	0	0	0	0	114.6	E23 L29 S30	E23-G27 VanDerWaalsContact O-CA 3.23Å; E23-G27 WeakPolarHBondContact O-CA 3.28Å; E23-G27 PolarHBondContact O-N 2.92Å; G27-L29 PolarHBondContact O-N 3.13Å; G27-S30 WeakPolarHBondContact O-CB 3.38Å; G27-S30 PolarHBondContact O-N 2.92Å; G27-S30 PolarHBondContact O-OG 3.42Å
28	P	92.9	Very high	92.1	Very high	122 Å²	122	64.4 Å²	64.4	79%	0.792	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.4	-179.6	24.5	-34.2	0	0	0	113.5	S30	P28-S30 PolarHBondContact O-N 2.88Å
29	L	94.4	Very high	92.3	Very high	36 Å²	36	61.8 Å²	61.8	19%	0.188	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.6	176.3	-62.8	178.1	0	0	0	113.1	F24 G27 V31 L32 T33 F59	F24-L29 HydrophobicContact CD1-CB 4.07Å; F24-L29 HydrophobicContact CD1-CD1 3.72Å; F24-L29 HydrophobicContact CE1-CD1 3.56Å; G27-L29 PolarHBondContact O-N 3.13Å; L29-V31 PolarHBondContact O-N 2.91Å; L29-V31 VanDerWaalsContact O-N 3.1Å; L29-L32 HydrophobicContact CD2-CD1 3.94Å; L29-L32 WeakPolarHBondContact O-CA 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.13Å; L29-L32 PolarHBondContact O-N 3.32Å; L29-T33 PolarHBondContact O-N 3.12Å; L29-T33 VanDerWaalsContact O-N 3.12Å; L29-T33 PolarHBondContact O-OG1 2.9Å; L29-F59 HydrophobicContact CB-CE2 4.17Å
30	S	94.4	Very high	92.5	Very high	22 Å²	22	60.2 Å²	60.2	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-56	-28	174	65.1	0	0	0	0	113	F24 N25 G27 P28 L32 T33 Q34	F24-S30 WeakPolarHBondContact O-CA 3.47Å; F24-S30 PolarHBondContact O-N 2.91Å; N25-S30 VanDerWaalsContact O-CB 3.3Å; N25-S30 WeakPolarHBondContact O-CB 3.35Å; G27-S30 WeakPolarHBondContact O-CB 3.38Å; G27-S30 PolarHBondContact O-N 2.92Å; G27-S30 PolarHBondContact O-OG 3.42Å; P28-S30 PolarHBondContact O-N 2.88Å; S30-L32 VanDerWaalsContact C-N 3.3Å; S30-L32 PolarHBondContact O-N 3.35Å; S30-T33 WeakPolarHBondContact O-CB 3.31Å; S30-T33 PolarHBondContact O-N 3.28Å; S30-Q34 WeakPolarHBondContact O-CB 3.45Å; S30-Q34 VanDerWaalsContact O-CG 3.25Å; S30-Q34 WeakPolarHBondContact O-CG 3.42Å; S30-Q34 PolarHBondContact O-N 3.02Å
31	V	93.8	Very high	92.8	Very high	57 Å²	57	60.6 Å²	60.6	35%	0.345	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-40.6	173.2	178.5	0	0	0	0	111.5	L29 S35 R111	L29-V31 PolarHBondContact O-N 2.91Å; L29-V31 VanDerWaalsContact O-N 3.1Å; V31-S35 WeakPolarHBondContact O-CB 3.48Å; V31-S35 PolarHBondContact O-N 3.22Å; V31-S35 PolarHBondContact O-OG 3.31Å; V31-R111 HydrophobicContact CG1-CB 3.87Å
32	L	94.8	Very high	93.1	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-73	-42.4	175.9	-68.9	170.9	0	0	0	111.1	L29 S30 Q34 S35 V36 V56 F59 M65 V109	L29-L32 HydrophobicContact CD2-CD1 3.94Å; L29-L32 WeakPolarHBondContact O-CA 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.13Å; L29-L32 PolarHBondContact O-N 3.32Å; S30-L32 VanDerWaalsContact C-N 3.3Å; S30-L32 PolarHBondContact O-N 3.35Å; L32-Q34 VanDerWaalsContact C-N 3.33Å; L32-Q34 PolarHBondContact O-N 3.03Å; L32-S35 WeakPolarHBondContact O-CA 3.37Å; L32-S35 WeakPolarHBondContact O-CB 3.43Å; L32-S35 PolarHBondContact O-N 3.42Å; L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 2.78Å; L32-V56 HydrophobicContact CD2-CG2 4.15Å; L32-F59 HydrophobicContact CB-CD1 3.91Å; L32-F59 HydrophobicContact CB-CD2 4.14Å; L32-F59 HydrophobicContact CB-CE1 3.97Å; L32-F59 HydrophobicContact CB-CE2 4.19Å; L32-F59 HydrophobicContact CB-CG 4.02Å; L32-F59 HydrophobicContact CB-CZ 4.11Å; L32-F59 HydrophobicContact CD1-CB 4.43Å; L32-F59 HydrophobicContact CD1-CD2 3.94Å; L32-F59 HydrophobicContact CD1-CE2 4.48Å; L32-F59 HydrophobicContact CD1-CG 4.15Å; L32-M65 HydrophobicContact CD1-CE 3.51Å; L32-M65 HydrophobicContact CD2-CE 3.72Å; L32-M65 HydrophobicContact CD2-SD 3.96Å; L32-M65 HydrophobicContact CG-CE 4.27Å; L32-V109 HydrophobicContact CD2-CG1 3.85Å
33	T	95	Very high	93.5	Very high	16 Å²	16	54.3 Å²	54.3	10%	0.098	30%	0.296	C	S	.	.	H	α-helix	trans	-53.8	-49.7	174.3	-55.2	0	0	0	0	111.4	F24 L29 S30 S35 V36 K37 F59	F24-T33 PolarHBondContact O-OG1 3.39Å; L29-T33 PolarHBondContact O-N 3.12Å; L29-T33 VanDerWaalsContact O-N 3.12Å; L29-T33 PolarHBondContact O-OG1 2.9Å; S30-T33 WeakPolarHBondContact O-CB 3.31Å; S30-T33 PolarHBondContact O-N 3.28Å; T33-S35 VanDerWaalsContact C-N 3.3Å; T33-S35 PolarHBondContact O-N 3.09Å; T33-V36 PolarHBondContact O-N 3.42Å; T33-K37 HydrophobicContact CG2-CD 4.2Å; T33-K37 WeakPolarHBondContact O-CG 3.47Å; T33-K37 PolarHBondContact O-N 3.37Å; T33-F59 WeakPolarHBondContact OG1-CZ 3.35Å
34	Q	93.3	Very high	93.9	Very high	91 Å²	91	51 Å²	51	43%	0.425	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-32.8	177.2	-65.2	173.1	13	0	0	112	S30 L32 N38	S30-Q34 WeakPolarHBondContact O-CB 3.45Å; S30-Q34 VanDerWaalsContact O-CG 3.25Å; S30-Q34 WeakPolarHBondContact O-CG 3.42Å; S30-Q34 PolarHBondContact O-N 3.02Å; L32-Q34 VanDerWaalsContact C-N 3.33Å; L32-Q34 PolarHBondContact O-N 3.03Å; Q34-N38 VanDerWaalsContact O-CB 3.31Å; Q34-N38 WeakPolarHBondContact O-CB 3.32Å; Q34-N38 PolarHBondContact O-N 2.95Å
35	S	93.8	Very high	94.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.1	-38.5	178.2	-61.8	0	0	0	0	112.6	V31 L32 T33 N39 T40	V31-S35 WeakPolarHBondContact O-CB 3.48Å; V31-S35 PolarHBondContact O-N 3.22Å; V31-S35 PolarHBondContact O-OG 3.31Å; L32-S35 WeakPolarHBondContact O-CA 3.37Å; L32-S35 WeakPolarHBondContact O-CB 3.43Å; L32-S35 PolarHBondContact O-N 3.42Å; T33-S35 VanDerWaalsContact C-N 3.3Å; T33-S35 PolarHBondContact O-N 3.09Å; S35-N39 CarbonylContact O-C 3.56Å; S35-N39 VanDerWaalsContact O-CA 3.3Å; S35-N39 WeakPolarHBondContact O-CA 3.34Å; S35-N39 PolarHBondContact O-N 3.42Å; S35-T40 WeakPolarHBondContact CA-OG1 3.44Å; S35-T40 PolarHBondContact O-N 2.94Å
36	V	94.9	Very high	94.5	Very high	47 Å²	47	48.6 Å²	48.6	29%	0.285	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-51.2	173.1	174.9	0	0	0	0	110.3	L32 T33 N38 N39 V56 K57 F59	L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 2.78Å; T33-V36 PolarHBondContact O-N 3.42Å; V36-N38 PolarHBondContact O-N 3.03Å; V36-N39 PolarHBondContact O-N 2.67Å; V36-N39 VanDerWaalsContact O-N 3.11Å; V36-V56 HydrophobicContact CG2-CB 3.96Å; V36-V56 HydrophobicContact CG2-CG1 3.72Å; V36-K57 WeakPolarHBondContact CG1-O 3.33Å; V36-F59 HydrophobicContact CG2-CD1 4.04Å; V36-F59 HydrophobicContact CG2-CE1 4.4Å
37	K	93.6	Very high	94.8	Very high	146 Å²	146	52 Å²	52	64%	0.635	27%	0.269	S	S	*	.	H	α-helix	trans	-57.7	-45.5	-178.7	-74.8	176.9	178.9	175.2	0	112.5	N25 T33 N39	N25-K37 PolarHBondContact OD1-NZ 2.73Å; T33-K37 HydrophobicContact CG2-CD 4.2Å; T33-K37 WeakPolarHBondContact O-CG 3.47Å; T33-K37 PolarHBondContact O-N 3.37Å; K37-N39 VanDerWaalsContact C-N 3.29Å; K37-N39 PolarHBondContact O-N 3.08Å
38	N	93.3	Very high	94.9	Very high	92 Å²	92	55.9 Å²	55.9	49%	0.492	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.5	-177.6	-62.8	8.2	0	0	0	112.4	Q34 V36 T40 R111	Q34-N38 VanDerWaalsContact O-CB 3.31Å; Q34-N38 WeakPolarHBondContact O-CB 3.32Å; Q34-N38 PolarHBondContact O-N 2.95Å; V36-N38 PolarHBondContact O-N 3.03Å; N38-T40 HydrophobicContact CB-CG2 3.62Å; N38-T40 PolarHBondContact O-N 3.25Å; N38-T40 VanDerWaalsContact O-N 3.08Å; N38-R111 PolarHBondContact ND2-NH2 2.98Å
39	N	93.1	Very high	94.9	Very high	65 Å²	65	55.9 Å²	55.9	35%	0.348	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	35.7	-173.5	-170.5	43.7	0	0	0	112	S35 V36 K37 R55 K57	S35-N39 CarbonylContact O-C 3.56Å; S35-N39 VanDerWaalsContact O-CA 3.3Å; S35-N39 WeakPolarHBondContact O-CA 3.34Å; S35-N39 PolarHBondContact O-N 3.42Å; V36-N39 PolarHBondContact O-N 2.67Å; V36-N39 VanDerWaalsContact O-N 3.11Å; K37-N39 VanDerWaalsContact C-N 3.29Å; K37-N39 PolarHBondContact O-N 3.08Å; N39-R55 PolarHBondContact O-NH1 3.04Å; N39-K57 PolarHBondContact OD1-NZ 3.32Å
40	T	93.8	Very high	95	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.			trans	-78.4	152.9	-176	59.3	0	0	0	0	111.6	S35 N38 R111 L114	S35-T40 WeakPolarHBondContact CA-OG1 3.44Å; S35-T40 PolarHBondContact O-N 2.94Å; N38-T40 HydrophobicContact CB-CG2 3.62Å; N38-T40 PolarHBondContact O-N 3.25Å; N38-T40 VanDerWaalsContact O-N 3.08Å; T40-R111 PolarHBondContact OG1-NE 3.44Å; T40-L114 HydrophobicContact CG2-CD1 4.39Å; T40-L114 HydrophobicContact CG2-CD2 3.71Å; T40-L114 HydrophobicContact CG2-CG 3.96Å
41	Q	95	Very high	95.1	Very high	57 Å²	57	60.3 Å²	60.3	27%	0.266	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.6	174.9	-161.8	172.3	26.2	0	0	110.2	L53 G54 N112	Q41-L53 HydrophobicContact CG-CD1 3.89Å; Q41-L53 HydrophobicContact CG-CG 3.91Å; Q41-G54 CarbonylContact C-O 3.54Å; Q41-G54 WeakPolarHBondContact CA-O 3.31Å; Q41-G54 WeakPolarHBondContact CG-O 3.41Å; Q41-N112 HydrophobicContact CB-CB 4.13Å; Q41-N112 WeakPolarHBondContact O-CB 3.47Å; Q41-N112 PolarHBondContact O-N 3.04Å; Q41-N112 PolarHBondContact OE1-ND2 3.45Å
42	V	96.5	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.5	175.3	-59.3	0	0	0	0	109.7	I44 L53 G54 V56 V109 L110	V42-I44 HydrophobicContact CG2-CD1 4.03Å; V42-I44 HydrophobicContact CG2-CG1 3.98Å; V42-L53 WeakPolarHBondContact O-CA 3.35Å; V42-G54 PolarHBondContact N-O 2.91Å; V42-G54 PolarHBondContact O-N 2.83Å; V42-V56 HydrophobicContact CG1-CG2 4.18Å; V42-V56 HydrophobicContact CG2-CG2 3.56Å; V42-V109 HydrophobicContact CB-CG1 4.35Å; V42-L110 CarbonylContact C-O 3.52Å; V42-L110 WeakPolarHBondContact CA-O 3.49Å
43	L	97.1	Very high	95.4	Very high	63 Å²	63	59.3 Å²	59.3	33%	0.33	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.3	167.8	-178.8	69.3	0	0	0	108.4	K51 L52 L53 M73 L110	L43-K51 HydrophobicContact CD1-CB 4.23Å; L43-L52 CarbonylContact C-O 3.58Å; L43-L52 WeakPolarHBondContact CA-O 3.3Å; L43-L53 HydrophobicContact CB-CD1 4.04Å; L43-L53 HydrophobicContact CD1-CB 4.31Å; L43-L53 HydrophobicContact CD1-CD1 4.06Å; L43-M73 HydrophobicContact CD1-CE 4.24Å; L43-L110 HydrophobicContact CB-CB 4.36Å; L43-L110 PolarHBondContact N-O 2.85Å; L43-L110 PolarHBondContact O-N 3.41Å
44	I	97.8	Very high	95.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.1	179.9	-54	172	0	0	0	107.9	V42 K51 L52 M65 L67 L101 V106 V108 V109	V42-I44 HydrophobicContact CG2-CD1 4.03Å; V42-I44 HydrophobicContact CG2-CG1 3.98Å; I44-K51 CarbonylContact O-C 3.55Å; I44-K51 WeakPolarHBondContact O-CA 3.33Å; I44-L52 HydrophobicContact CB-CB 4.24Å; I44-L52 PolarHBondContact N-O 3.18Å; I44-L52 PolarHBondContact O-N 3.21Å; I44-M65 HydrophobicContact CD1-SD 3.84Å; I44-L67 HydrophobicContact CD1-CD1 3.95Å; I44-L67 HydrophobicContact CD1-CD2 4.03Å; I44-L101 HydrophobicContact CD1-CD2 4.08Å; I44-L101 HydrophobicContact CG2-CD2 4.15Å; I44-V106 HydrophobicContact CG2-CB 4.48Å; I44-V106 HydrophobicContact CG2-CG1 3.94Å; I44-V106 HydrophobicContact CG2-CG2 4.06Å; I44-V108 WeakPolarHBondContact CA-O 3.13Å; I44-V109 HydrophobicContact CG1-CG1 4.45Å; I44-V109 HydrophobicContact CG1-CG2 4.48Å
45	N	97.6	Very high	95.7	Very high	52 Å²	52	58.3 Å²	58.3	28%	0.278	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.8	171.3	-166.3	15.9	0	0	0	109.9	I107 V108	N45-I107 PolarHBondContact O-N 2.97Å; N45-V108 HydrophobicContact CB-CB 4.42Å; N45-V108 PolarHBondContact N-O 3.35Å
46	C	97.5	Very high	95.9	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	156.6	-177	-63.5	0	0	0	0	112.6	N48 N49 K50 S105	C46-N48 VanDerWaalsContact CB-OD1 3.25Å; C46-N48 WeakPolarHBondContact CB-OD1 3.31Å; C46-N48 PolarHBondContact O-N 2.84Å; C46-N49 PolarHBondContact O-N 2.91Å; C46-K50 WeakPolarHBondContact CB-O 3.46Å; C46-K50 PolarHBondContact N-O 2.88Å; C46-S105 CarbonylContact C-O 3.45Å; C46-S105 WeakPolarHBondContact CA-O 3.35Å
47	R	96.8	Very high	96	Very high	193 Å²	193	60 Å²	60	73%	0.728	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.4	-179.5	-173.6	177.7	-82.1	175.8	-3.9	114.4	N49 S105 I107	R47-N49 PolarHBondContact O-N 3.13Å; R47-S105 PolarHBondContact N-O 2.73Å; R47-I107 HydrophobicContact CB-CD1 4.26Å; R47-I107 HydrophobicContact CB-CG1 4.36Å
48	N	93.9	Very high	96.2	Very high	101 Å²	101	55.3 Å²	55.3	54%	0.54	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	15	174.3	64.3	-2.5	0	0	0	113.6	C46 K50	C46-N48 VanDerWaalsContact CB-OD1 3.25Å; C46-N48 WeakPolarHBondContact CB-OD1 3.31Å; C46-N48 PolarHBondContact O-N 2.84Å; N48-K50 PolarHBondContact O-N 3.33Å; N48-K50 VanDerWaalsContact OD1-CB 3.3Å; N48-K50 WeakPolarHBondContact OD1-CB 3.25Å; N48-K50 WeakPolarHBondContact OD1-CG 3.46Å; N48-K50 PolarHBondContact OD1-N 2.79Å
49	N	92.8	Very high	96.4	Very high	122 Å²	122	53 Å²	53	65%	0.652	26%	0.255	S	S	*	.	S	Bend	trans	60.5	21.5	-178.1	-159.9	40.6	0	0	0	113.9	C46 R47	C46-N49 PolarHBondContact O-N 2.91Å; R47-N49 PolarHBondContact O-N 3.13Å
50	K	95.8	Very high	96.5	Very high	47 Å²	47	52.3 Å²	52.3	20%	0.204	25%	0.251	C	S	.	.			trans	-92.7	147.2	167.7	-56.9	-164.8	179.5	-176	0	109.9	C46 N48 E72 W74	C46-K50 WeakPolarHBondContact CB-O 3.46Å; C46-K50 PolarHBondContact N-O 2.88Å; N48-K50 PolarHBondContact O-N 3.33Å; N48-K50 VanDerWaalsContact OD1-CB 3.3Å; N48-K50 WeakPolarHBondContact OD1-CB 3.25Å; N48-K50 WeakPolarHBondContact OD1-CG 3.46Å; N48-K50 PolarHBondContact OD1-N 2.79Å; K50-E72 HydrophobicContact CB-CG 4.26Å; K50-E72 HydrophobicContact CD-CG 3.9Å; K50-E72 WeakPolarHBondContact CD-OE1 3.48Å; K50-E72 WeakPolarHBondContact CD-OE2 3.42Å; K50-E72 IonicContact NZ-OE1 2.7Å; K50-E72 IonicContact NZ-OE2 3.14Å; K50-E72 PolarHBondContact NZ-OE2 2.84Å; K50-W74 HydrophobicContact CD-CB 4.48Å; K50-W74 HydrophobicContact CG-CB 3.98Å
51	K	97.4	Very high	96.5	Very high	104 Å²	104	59.7 Å²	59.7	45%	0.452	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.5	175.8	-62.3	176.1	-175.3	175.5	0	109	L43 I44 E72 M73	L43-K51 HydrophobicContact CD1-CB 4.23Å; I44-K51 CarbonylContact O-C 3.55Å; I44-K51 WeakPolarHBondContact O-CA 3.33Å; K51-E72 CarbonylContact O-C 3.56Å; K51-E72 WeakPolarHBondContact O-CA 3.36Å; K51-M73 HydrophobicContact CB-CE 4.32Å; K51-M73 PolarHBondContact N-O 2.77Å; K51-M73 PolarHBondContact O-N 2.7Å
52	L	98	Very high	96.5	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.1	175.8	-54.7	174.4	0	0	0	108.5	L43 I44 L67 V70 E72 M99 L101	L43-L52 CarbonylContact C-O 3.58Å; L43-L52 WeakPolarHBondContact CA-O 3.3Å; I44-L52 HydrophobicContact CB-CB 4.24Å; I44-L52 PolarHBondContact N-O 3.18Å; I44-L52 PolarHBondContact O-N 3.21Å; L52-L67 HydrophobicContact CD1-CD1 4.23Å; L52-V70 HydrophobicContact CB-CG1 4.06Å; L52-V70 HydrophobicContact CD2-CG1 3.96Å; L52-V70 HydrophobicContact CG-CG1 4.49Å; L52-E72 HydrophobicContact CD2-CB 3.56Å; L52-E72 HydrophobicContact CD2-CG 3.56Å; L52-M99 HydrophobicContact CD1-SD 4.13Å; L52-M99 HydrophobicContact CD2-SD 4.4Å; L52-L101 HydrophobicContact CD1-CD1 3.98Å; L52-L101 HydrophobicContact CD1-CD2 3.76Å; L52-L101 HydrophobicContact CD1-CG 4.44Å
53	L	97.4	Very high	96.5	Very high	38 Å²	38	64.3 Å²	64.3	20%	0.199	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.8	171.2	-173	77	0	0	0	107.8	Q41 V42 L43 K71 M73	Q41-L53 HydrophobicContact CG-CD1 3.89Å; Q41-L53 HydrophobicContact CG-CG 3.91Å; V42-L53 WeakPolarHBondContact O-CA 3.35Å; L43-L53 HydrophobicContact CB-CD1 4.04Å; L43-L53 HydrophobicContact CD1-CB 4.31Å; L43-L53 HydrophobicContact CD1-CD1 4.06Å; L53-K71 HydrophobicContact CB-CB 4.48Å; L53-K71 PolarHBondContact N-O 3.38Å; L53-K71 PolarHBondContact O-N 3.23Å; L53-M73 HydrophobicContact CB-CE 3.75Å
54	G	96.9	Very high	96.5	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-172.7	-172.8	0	0	0	0	0	112.7	Q41 V42	Q41-G54 CarbonylContact C-O 3.54Å; Q41-G54 WeakPolarHBondContact CA-O 3.31Å; Q41-G54 WeakPolarHBondContact CG-O 3.41Å; V42-G54 PolarHBondContact N-O 2.91Å; V42-G54 PolarHBondContact O-N 2.83Å
55	R	97	Very high	96.5	Very high	85 Å²	85	62.3 Å²	62.3	32%	0.321	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.9	175.4	-60.4	-177.3	-167.5	-92.9	-0.7	109.7	N39 L67 E68	N39-R55 PolarHBondContact O-NH1 3.04Å; R55-L67 WeakPolarHBondContact O-CA 3.16Å; R55-E68 PolarHBondContact N-O 2.67Å; R55-E68 PolarHBondContact O-N 2.67Å
56	V	97.3	Very high	96.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.5	176.6	-170.5	0	0	0	0	108.7	L32 V36 V42 A58 F59 M65 L67	L32-V56 HydrophobicContact CD2-CG2 4.15Å; V36-V56 HydrophobicContact CG2-CB 3.96Å; V36-V56 HydrophobicContact CG2-CG1 3.72Å; V42-V56 HydrophobicContact CG1-CG2 4.18Å; V42-V56 HydrophobicContact CG2-CG2 3.56Å; V56-A58 WeakPolarHBondContact CG1-O 3.44Å; V56-F59 HydrophobicContact CG1-CB 4.32Å; V56-M65 HydrophobicContact CG1-CB 4.45Å; V56-M65 HydrophobicContact CG1-CG 4.49Å; V56-M65 HydrophobicContact CG2-SD 4.22Å; V56-L67 HydrophobicContact CB-CD2 4.27Å; V56-L67 HydrophobicContact CG2-CD2 3.75Å
57	K	97.4	Very high	96.6	Very high	83 Å²	83	62.6 Å²	62.6	36%	0.361	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-35.6	172.8	-68.4	-51.8	-167.7	-176.1	0	112.9	V36 N39 V66 E68	V36-K57 WeakPolarHBondContact CG1-O 3.33Å; N39-K57 PolarHBondContact OD1-NZ 3.32Å; K57-V66 HydrophobicContact CB-CG1 4.35Å; K57-V66 PolarHBondContact N-O 2.89Å; K57-E68 WeakPolarHBondContact CE-OE2 3.12Å; K57-E68 HydrophobicContact CG-CB 4.22Å; K57-E68 HydrophobicContact CG-CG 3.62Å; K57-E68 IonicContact NZ-OE2 3.81Å
58	A	97.3	Very high	96.7	Very high	47 Å²	47	55.5 Å²	55.5	39%	0.388	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	154.2	173.9	0	0	0	0	0	109.4	V56 M65 V66	V56-A58 WeakPolarHBondContact CG1-O 3.44Å; A58-M65 WeakPolarHBondContact O-CA 3.33Å; A58-V66 HydrophobicContact CB-CB 4.19Å; A58-V66 HydrophobicContact CB-CG2 4.23Å; A58-V66 PolarHBondContact O-N 3.45Å
59	F	97.3	Very high	96.8	Very high	44 Å²	44	54.2 Å²	54.2	19%	0.193	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	168.1	171.1	72.8	-79.2	0	0	0	110	F24 L29 L32 T33 V36 V56 N64 M65	F24-F59 AromaticContact CD1-CE2 3.84Å; F24-F59 HydrophobicContact CD1-CE2 3.84Å; F24-F59 HydrophobicContact CD1-CZ 4.31Å; F24-F59 AromaticContact CE1-CE2 3.96Å; F24-F59 HydrophobicContact CE1-CE2 3.96Å; F24-F59 HydrophobicContact CG-CE2 4.25Å; F24-F59 HydrophobicContact CG-CZ 4.29Å; F24-F59 HydrophobicContact CZ-CE2 4.44Å; L29-F59 HydrophobicContact CB-CE2 4.17Å; L32-F59 HydrophobicContact CB-CD1 3.91Å; L32-F59 HydrophobicContact CB-CD2 4.14Å; L32-F59 HydrophobicContact CB-CE1 3.97Å; L32-F59 HydrophobicContact CB-CE2 4.19Å; L32-F59 HydrophobicContact CB-CG 4.02Å; L32-F59 HydrophobicContact CB-CZ 4.11Å; L32-F59 HydrophobicContact CD1-CB 4.43Å; L32-F59 HydrophobicContact CD1-CD2 3.94Å; L32-F59 HydrophobicContact CD1-CE2 4.48Å; L32-F59 HydrophobicContact CD1-CG 4.15Å; T33-F59 WeakPolarHBondContact OG1-CZ 3.35Å; V36-F59 HydrophobicContact CG2-CD1 4.04Å; V36-F59 HydrophobicContact CG2-CE1 4.4Å; V56-F59 HydrophobicContact CG1-CB 4.32Å; F59-N64 CarbonylContact C-O 3.57Å; F59-N64 WeakPolarHBondContact CA-O 3.39Å; F59-N64 WeakPolarHBondContact CB-O 3.23Å; F59-M65 HydrophobicContact CB-CG 4.06Å
60	D	95.4	Very high	97.1	Very high	50 Å²	50	48.4 Å²	48.4	27%	0.267	23%	0.234	S	C	.	.			trans	-130.3	-179.2	174.5	72.1	12.3	0	0	0	112.3	H62 C63 N64	D60-H62 PolarHBondContact O-N 3.06Å; D60-H62 WeakPolarHBondContact OD1-CA 3.43Å; D60-H62 WeakPolarHBondContact OD1-CB 3.4Å; D60-H62 PolarHBondContact OD1-N 2.8Å; D60-C63 PolarHBondContact O-N 3.06Å; D60-C63 PolarHBondContact OD1-N 2.89Å; D60-N64 PolarHBondContact N-O 3.1Å; D60-N64 VanDerWaalsContact N-O 3.13Å; D60-N64 WeakPolarHBondContact OD1-CB 3.41Å; D60-N64 PolarHBondContact OD1-N 2.82Å; D60-N64 WeakPolarHBondContact OD2-CB 3.49Å; D60-N64 PolarHBondContact OD2-ND2 3.34Å
61	R	94.1	Very high	97.2	Very high	154 Å²	154	50 Å²	50	58%	0.581	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.2	177.2	60.8	177.6	162.7	-138.3	2.6	115.5	E20 F24 C63	E20-R61 WeakPolarHBondContact OE1-CB 3.45Å; E20-R61 WeakPolarHBondContact OE1-CD 3.38Å; E20-R61 IonicContact OE1-NH1 2.91Å; E20-R61 IonicContact OE2-NH1 2.94Å; E20-R61 PolarHBondContact OE2-NH1 3.27Å; F24-R61 HydrophobicContact CE1-CB 4.23Å; F24-R61 HydrophobicContact CZ-CB 4.09Å; R61-C63 VanDerWaalsContact C-N 3.28Å
62	H	96.1	Very high	97.2	Very high	117 Å²	117	45.5 Å²	45.5	54%	0.542	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.2	177.1	-60	-64	0	0	0	111.8	D60 N64 G103	D60-H62 PolarHBondContact O-N 3.06Å; D60-H62 WeakPolarHBondContact OD1-CA 3.43Å; D60-H62 WeakPolarHBondContact OD1-CB 3.4Å; D60-H62 PolarHBondContact OD1-N 2.8Å; H62-N64 PolarHBondContact O-N 2.89Å; H62-G103 WeakPolarHBondContact O-CA 3.37Å
63	C	95.8	Very high	97.2	Very high	37 Å²	37	48 Å²	48	25%	0.25	23%	0.233	C	C	.	.			trans	61.1	22.7	-170.3	-59.9	0	0	0	0	113.2	D60 R61 M65 G103	D60-C63 PolarHBondContact O-N 3.06Å; D60-C63 PolarHBondContact OD1-N 2.89Å; R61-C63 VanDerWaalsContact C-N 3.28Å; C63-M65 HydrophobicContact CB-CE 4.17Å; C63-G103 VanDerWaalsContact C-CA 3.5Å; C63-G103 WeakPolarHBondContact O-CA 3.43Å
64	N	97.6	Very high	97.1	Very high	21 Å²	21	49 Å²	49	11%	0.112	24%	0.235	C	C	.	.			trans	-66.2	142.7	163.4	-57.9	-46.2	0	0	0	108	F59 D60 H62 F100 L101 R102 G103	F59-N64 CarbonylContact C-O 3.57Å; F59-N64 WeakPolarHBondContact CA-O 3.39Å; F59-N64 WeakPolarHBondContact CB-O 3.23Å; D60-N64 PolarHBondContact N-O 3.1Å; D60-N64 VanDerWaalsContact N-O 3.13Å; D60-N64 WeakPolarHBondContact OD1-CB 3.41Å; D60-N64 PolarHBondContact OD1-N 2.82Å; D60-N64 WeakPolarHBondContact OD2-CB 3.49Å; D60-N64 PolarHBondContact OD2-ND2 3.34Å; H62-N64 PolarHBondContact O-N 2.89Å; N64-F100 HydrophobicContact CB-CE2 4.21Å; N64-F100 HydrophobicContact CB-CZ 4.03Å; N64-L101 CarbonylContact C-O 3.48Å; N64-L101 VanDerWaalsContact CA-O 3.31Å; N64-L101 WeakPolarHBondContact CA-O 3.15Å; N64-R102 WeakPolarHBondContact OD1-CA 3.39Å; N64-G103 PolarHBondContact OD1-N 3.24Å
65	M	97.9	Very high	97	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.5	-174.8	-59.7	-178.2	-162.6	0	0	111.7	L32 I44 V56 A58 F59 C63 L67 L101 V109	L32-M65 HydrophobicContact CD1-CE 3.51Å; L32-M65 HydrophobicContact CD2-CE 3.72Å; L32-M65 HydrophobicContact CD2-SD 3.96Å; L32-M65 HydrophobicContact CG-CE 4.27Å; I44-M65 HydrophobicContact CD1-SD 3.84Å; V56-M65 HydrophobicContact CG1-CB 4.45Å; V56-M65 HydrophobicContact CG1-CG 4.49Å; V56-M65 HydrophobicContact CG2-SD 4.22Å; A58-M65 WeakPolarHBondContact O-CA 3.33Å; F59-M65 HydrophobicContact CB-CG 4.06Å; C63-M65 HydrophobicContact CB-CE 4.17Å; M65-L67 HydrophobicContact CB-CD2 3.94Å; M65-L67 HydrophobicContact CB-CG 4.19Å; M65-L67 HydrophobicContact SD-CD2 4.43Å; M65-L101 PolarHBondContact N-O 2.96Å; M65-L101 PolarHBondContact O-N 2.95Å; M65-V109 HydrophobicContact CE-CG2 3.97Å
66	V	98.3	Very high	96.7	Very high	63 Å²	63	52.8 Å²	52.8	38%	0.382	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.9	162.2	-178.9	0	0	0	0	107.1	K57 A58 F100	K57-V66 HydrophobicContact CB-CG1 4.35Å; K57-V66 PolarHBondContact N-O 2.89Å; A58-V66 HydrophobicContact CB-CB 4.19Å; A58-V66 HydrophobicContact CB-CG2 4.23Å; A58-V66 PolarHBondContact O-N 3.45Å; V66-F100 HydrophobicContact CG2-CD2 4.29Å
67	L	98.1	Very high	96.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.8	-176.9	-56.1	176	0	0	0	110.7	I44 L52 R55 V56 M65 V70 K98 M99 L101	I44-L67 HydrophobicContact CD1-CD1 3.95Å; I44-L67 HydrophobicContact CD1-CD2 4.03Å; L52-L67 HydrophobicContact CD1-CD1 4.23Å; R55-L67 WeakPolarHBondContact O-CA 3.16Å; V56-L67 HydrophobicContact CB-CD2 4.27Å; V56-L67 HydrophobicContact CG2-CD2 3.75Å; M65-L67 HydrophobicContact CB-CD2 3.94Å; M65-L67 HydrophobicContact CB-CG 4.19Å; M65-L67 HydrophobicContact SD-CD2 4.43Å; L67-V70 HydrophobicContact CB-CG2 3.37Å; L67-V70 HydrophobicContact CD1-CG2 4.15Å; L67-V70 HydrophobicContact CG-CG2 4.41Å; L67-K98 WeakPolarHBondContact O-CA 3.35Å; L67-M99 HydrophobicContact CB-CB 4.42Å; L67-M99 HydrophobicContact CD1-SD 4.48Å; L67-M99 PolarHBondContact N-O 2.83Å; L67-M99 PolarHBondContact O-N 2.91Å; L67-L101 HydrophobicContact CD1-CB 4.15Å; L67-L101 HydrophobicContact CD1-CD2 4.14Å
68	E	97.9	Very high	95.6	Very high	45 Å²	45	55.8 Å²	55.8	21%	0.21	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.3	171.1	-68.6	-168.3	155	0	0	111.7	R55 K57 V70 S97 K98	R55-E68 PolarHBondContact N-O 2.67Å; R55-E68 PolarHBondContact O-N 2.67Å; K57-E68 WeakPolarHBondContact CE-OE2 3.12Å; K57-E68 HydrophobicContact CG-CB 4.22Å; K57-E68 HydrophobicContact CG-CG 3.62Å; K57-E68 IonicContact NZ-OE2 3.81Å; E68-V70 VanDerWaalsContact C-N 3.32Å; E68-V70 PolarHBondContact O-N 3.02Å; E68-S97 WeakPolarHBondContact CA-O 3.06Å; E68-K98 HydrophobicContact CG-CG 4.29Å; E68-K98 IonicContact OE1-NZ 2.63Å; E68-K98 PolarHBondContact OE1-NZ 2.98Å
69	N	97.4	Very high	94.8	Very high	73 Å²	73	63.8 Å²	63.8	39%	0.39	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.4	49.1	178.8	-55.1	-53	0	0	0	111.8	Y95 S97	N69-Y95 WeakPolarHBondContact CA-OH 3.3Å; N69-Y95 HydrophobicContact CB-CE2 4.31Å; N69-Y95 WeakPolarHBondContact CB-OH 3.25Å; N69-Y95 PolarHBondContact OD1-OH 3.31Å; N69-S97 PolarHBondContact N-O 2.83Å
70	V	98.1	Very high	93.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.6	-171.9	-173.8	0	0	0	0	110.2	L52 L67 E68 Y95 I96 M99	L52-V70 HydrophobicContact CB-CG1 4.06Å; L52-V70 HydrophobicContact CD2-CG1 3.96Å; L52-V70 HydrophobicContact CG-CG1 4.49Å; L67-V70 HydrophobicContact CB-CG2 3.37Å; L67-V70 HydrophobicContact CD1-CG2 4.15Å; L67-V70 HydrophobicContact CG-CG2 4.41Å; E68-V70 VanDerWaalsContact C-N 3.32Å; E68-V70 PolarHBondContact O-N 3.02Å; V70-Y95 CarbonylContact O-C 3.56Å; V70-Y95 WeakPolarHBondContact O-CA 3.4Å; V70-I96 HydrophobicContact CB-CB 4.36Å; V70-I96 PolarHBondContact N-O 2.91Å; V70-I96 PolarHBondContact O-N 2.63Å; V70-M99 HydrophobicContact CG1-SD 4.17Å; V70-M99 HydrophobicContact CG2-CB 4.12Å
71	K	97.9	Very high	93	Very high	81 Å²	81	64 Å²	64	35%	0.352	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107.7	164.8	-175.5	175.3	179.5	155.7	0	108.7	L53 M73 D93	L53-K71 HydrophobicContact CB-CB 4.48Å; L53-K71 PolarHBondContact N-O 3.38Å; L53-K71 PolarHBondContact O-N 3.23Å; K71-M73 HydrophobicContact CD-CG 4.36Å; K71-M73 HydrophobicContact CD-SD 4.24Å; K71-M73 HydrophobicContact CG-CG 4.02Å; K71-M73 HydrophobicContact CG-SD 4.41Å; K71-D93 WeakPolarHBondContact CE-OD2 3.43Å; K71-D93 HydrophobicContact CG-CB 4.45Å; K71-D93 IonicContact NZ-OD2 2.63Å; K71-D93 PolarHBondContact NZ-OD2 2.91Å
72	E	97.8	Very high	92	Very high	10 Å²	10	67.3 Å²	67.3	5%	0.047	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.9	171	-177.5	-175.8	-94.4	0	0	109.1	K50 K51 L52 W74 D93 R94	K50-E72 HydrophobicContact CB-CG 4.26Å; K50-E72 HydrophobicContact CD-CG 3.9Å; K50-E72 WeakPolarHBondContact CD-OE1 3.48Å; K50-E72 WeakPolarHBondContact CD-OE2 3.42Å; K50-E72 IonicContact NZ-OE1 2.7Å; K50-E72 IonicContact NZ-OE2 3.14Å; K50-E72 PolarHBondContact NZ-OE2 2.84Å; K51-E72 CarbonylContact O-C 3.56Å; K51-E72 WeakPolarHBondContact O-CA 3.36Å; L52-E72 HydrophobicContact CD2-CB 3.56Å; L52-E72 HydrophobicContact CD2-CG 3.56Å; E72-W74 HydrophobicContact CG-CE3 4.14Å; E72-W74 HydrophobicContact CG-CZ3 4.37Å; E72-D93 CarbonylContact O-C 3.58Å; E72-D93 WeakPolarHBondContact O-CA 3.41Å; E72-D93 WeakPolarHBondContact O-CB 3.36Å; E72-R94 HydrophobicContact CB-CG 3.97Å; E72-R94 PolarHBondContact N-O 3.46Å; E72-R94 PolarHBondContact O-N 2.82Å; E72-R94 IonicContact OE1-CZ 3.78Å; E72-R94 IonicContact OE1-NE 2.89Å; E72-R94 IonicContact OE1-NH2 3.57Å; E72-R94 PolarHBondContact OE1-NH2 3.2Å; E72-R94 IonicContact OE2-CZ 2.92Å; E72-R94 IonicContact OE2-NE 3.32Å; E72-R94 PolarHBondContact OE2-NE 2.81Å; E72-R94 IonicContact OE2-NH2 3.87Å; E72-R94 PolarHBondContact OE2-NH2 3.2Å
73	M	97.3	Very high	90.9	Very high	55 Å²	55	66 Å²	66	27%	0.271	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.5	-177.6	-60.9	170	-72.9	0	0	109.8	L43 K51 L53 K71 K92 D93	L43-M73 HydrophobicContact CD1-CE 4.24Å; K51-M73 HydrophobicContact CB-CE 4.32Å; K51-M73 PolarHBondContact N-O 2.77Å; K51-M73 PolarHBondContact O-N 2.7Å; L53-M73 HydrophobicContact CB-CE 3.75Å; K71-M73 HydrophobicContact CD-CG 4.36Å; K71-M73 HydrophobicContact CD-SD 4.24Å; K71-M73 HydrophobicContact CG-CG 4.02Å; K71-M73 HydrophobicContact CG-SD 4.41Å; M73-K92 WeakPolarHBondContact CA-O 3.21Å; M73-D93 HydrophobicContact CG-CB 4.15Å
74	W	96.3	Very high	89.9	Confident	60 Å²	60	72 Å²	72	23%	0.227	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.1	174.4	70.1	100	0	0	0	110.8	K50 E72 K92 R94	K50-W74 HydrophobicContact CD-CB 4.48Å; K50-W74 HydrophobicContact CG-CB 3.98Å; E72-W74 HydrophobicContact CG-CE3 4.14Å; E72-W74 HydrophobicContact CG-CZ3 4.37Å; W74-K92 HydrophobicContact CD2-CB 3.99Å; W74-K92 HydrophobicContact CE3-CB 4.41Å; W74-K92 HydrophobicContact CH2-CB 3.98Å; W74-K92 HydrophobicContact CZ2-CB 3.53Å; W74-K92 HydrophobicContact CZ2-CD 3.85Å; W74-K92 HydrophobicContact CZ2-CG 4.34Å; W74-K92 HydrophobicContact CZ3-CB 4.38Å; W74-K92 PolarHBondContact N-O 2.78Å; W74-K92 PolarHBondContact O-N 2.83Å; W74-K92 VanDerWaalsContact O-O 3.08Å; W74-R94 HydrophobicContact CH2-CB 4.27Å; W74-R94 HydrophobicContact CH2-CG 4.23Å; W74-R94 HydrophobicContact CZ3-CB 4.22Å; W74-R94 HydrophobicContact CZ3-CG 3.89Å
75	T	94.3	Very high	88.8	Confident	75 Å²	75	80.5 Å²	80.5	46%	0.46	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.1	174.6	-54.9	0	0	0	0	108.5	P89 V90 N91	T75-P89 HydrophobicContact CG2-CB 3.39Å; T75-V90 WeakPolarHBondContact CA-O 3.5Å; T75-N91 PolarHBondContact OG1-OD1 2.88Å
76	E	90.4	Very high	87.7	Confident	91 Å²	91	90 Å²	90	43%	0.425	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.9	175.2	-153	172.9	-157.9	0	0	108.9	P78 V90 K92	E76-P78 WeakPolarHBondContact O-CD 3.4Å; E76-V90 PolarHBondContact N-O 2.91Å; E76-V90 PolarHBondContact O-N 2.93Å; E76-K92 WeakPolarHBondContact OE2-CD 3.16Å; E76-K92 WeakPolarHBondContact OE2-CE 3.44Å; E76-K92 IonicContact OE2-NZ 2.77Å; E76-K92 PolarHBondContact OE2-NZ 2.82Å
77	V	87.2	Confident	86.8	Confident	87 Å²	87	88.4 Å²	88.4	53%	0.527	46%	0.459	S	S	.	.			trans	-105.7	104.7	174	-177.6	0	0	0	0	106.9	K79 P89	V77-K79 PolarHBondContact O-N 2.67Å; V77-P89 HydrophobicContact CG2-CB 4.27Å; V77-P89 HydrophobicContact CG2-CG 4.42Å
78	P	84.8	Confident	86.3	Confident	60 Å²	60	96.9 Å²	96.9	39%	0.39	50%	0.496	S	S	.	.			trans	-54.6	133.7	-179.8	-22.7	28	0	0	0	111.1	E76 S80 S87 V90	E76-P78 WeakPolarHBondContact O-CD 3.4Å; P78-S80 PolarHBondContact O-N 3.05Å; P78-S87 WeakPolarHBondContact CB-OG 3.43Å; P78-S87 WeakPolarHBondContact CD-OG 2.86Å; P78-S87 PolarHBondContact O-OG 2.73Å; P78-V90 HydrophobicContact CG-CG2 4.2Å
79	K	81.4	Confident	85.9	Confident	215 Å²	215	99 Å²	99	94%	0.935	51%	0.513	S	S	*	.			trans	-64.9	110.5	172.6	-68.5	-176.4	-179.8	177.6	0	108.3	V77	V77-K79 PolarHBondContact O-N 2.67Å
80	S	77.2	Confident	85.6	Confident	50 Å²	50	98.8 Å²	98.8	35%	0.35	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-72.9	141.5	172.8	-155.1	0	0	0	0	108.6	P78 K84 K85	P78-S80 PolarHBondContact O-N 3.05Å; S80-K84 WeakPolarHBondContact OG-CB 3.46Å; S80-K85 PolarHBondContact OG-O 2.96Å
81	G	77.3	Confident	85.4	Confident	47 Å²	47	105 Å²	105	49%	0.485	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-59.1	154.5	174.5	0	0	0	0	0	111.7	G83 K84	G81-G83 PolarHBondContact O-N 3.33Å; G81-K84 PolarHBondContact O-N 3.19Å; G81-K84 VanDerWaalsContact O-N 3.09Å
82	K	73.5	Confident	85.3	Confident	224 Å²	224	105.5 Å²	105.5	97%	0.974	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	124.9	177.6	-90.2	-176.1	174.9	179.4	0	110.2
83	G	71.8	Confident	85.3	Confident	91 Å²	91	109.5 Å²	109.5	94%	0.938	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.3	-4.9	176.7	0	0	0	0	0	116.5	G81	G81-G83 PolarHBondContact O-N 3.33Å
84	K	74.7	Confident	85.3	Confident	163 Å²	163	112.4 Å²	112.4	71%	0.709	58%	0.579	S	S	*	*	S	Bend	trans	-95.4	145.1	175.3	-71.7	-175.5	179.9	-179	0	111.5	S80 G81	S80-K84 WeakPolarHBondContact OG-CB 3.46Å; G81-K84 PolarHBondContact O-N 3.19Å; G81-K84 VanDerWaalsContact O-N 3.09Å
85	K	75.2	Confident	85.4	Confident	199 Å²	199	116.2 Å²	116.2	87%	0.865	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-49.9	145.3	173.4	-78.3	-177.6	177.1	177.5	0	110.1	S80 S87	S80-K85 PolarHBondContact OG-O 2.96Å; K85-S87 PolarHBondContact O-N 2.92Å
86	K	74.1	Confident	85.5	Confident	199 Å²	199	114.3 Å²	114.3	87%	0.865	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-51.7	129.9	175.8	-73	-175.5	178.3	178.1	0	108.9
87	S	80.8	Confident	85.9	Confident	30 Å²	30	113.6 Å²	113.6	21%	0.21	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-63.3	153.3	178	60.4	0	0	0	0	110.1	P78 K85	P78-S87 WeakPolarHBondContact CB-OG 3.43Å; P78-S87 WeakPolarHBondContact CD-OG 2.86Å; P78-S87 PolarHBondContact O-OG 2.73Å; K85-S87 PolarHBondContact O-N 2.92Å
88	K	86.2	Confident	86.4	Confident	180 Å²	180	116.5 Å²	116.5	78%	0.783	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-67.1	138.4	175.5	-68.4	-176.6	179.5	-179.4	0	109.3	V90	K88-V90 PolarHBondContact O-N 2.81Å
89	P	89.6	Confident	87	Confident	89 Å²	89	115.4 Å²	115.4	58%	0.578	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.6	172.6	-19.4	30.4	0	0	0	110.7	T75 V77	T75-P89 HydrophobicContact CG2-CB 3.39Å; V77-P89 HydrophobicContact CG2-CB 4.27Å; V77-P89 HydrophobicContact CG2-CG 4.42Å
90	V	92.3	Very high	87.8	Confident	69 Å²	69	111.8 Å²	111.8	42%	0.418	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	124.8	179.7	-176.9	0	0	0	0	108.8	T75 E76 P78 K88	T75-V90 WeakPolarHBondContact CA-O 3.5Å; E76-V90 PolarHBondContact N-O 2.91Å; E76-V90 PolarHBondContact O-N 2.93Å; P78-V90 HydrophobicContact CG-CG2 4.2Å; K88-V90 PolarHBondContact O-N 2.81Å
91	N	94.3	Very high	88.8	Confident	129 Å²	129	110.2 Å²	110.2	69%	0.69	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.2	128.9	174.1	-68.3	-20.9	0	0	0	109.6	T75	T75-N91 PolarHBondContact OG1-OD1 2.88Å
92	K	95.5	Very high	89.8	Confident	92 Å²	92	114.9 Å²	114.9	40%	0.4	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	147.6	173.2	-72.8	-171.1	171.4	178.7	0	109.6	M73 W74 E76	M73-K92 WeakPolarHBondContact CA-O 3.21Å; W74-K92 HydrophobicContact CD2-CB 3.99Å; W74-K92 HydrophobicContact CE3-CB 4.41Å; W74-K92 HydrophobicContact CH2-CB 3.98Å; W74-K92 HydrophobicContact CZ2-CB 3.53Å; W74-K92 HydrophobicContact CZ2-CD 3.85Å; W74-K92 HydrophobicContact CZ2-CG 4.34Å; W74-K92 HydrophobicContact CZ3-CB 4.38Å; W74-K92 PolarHBondContact N-O 2.78Å; W74-K92 PolarHBondContact O-N 2.83Å; W74-K92 VanDerWaalsContact O-O 3.08Å; E76-K92 WeakPolarHBondContact OE2-CD 3.16Å; E76-K92 WeakPolarHBondContact OE2-CE 3.44Å; E76-K92 IonicContact OE2-NZ 2.77Å; E76-K92 PolarHBondContact OE2-NZ 2.82Å
93	D	96.6	Very high	90.9	Very high	94 Å²	94	104.6 Å²	104.6	50%	0.503	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.9	171.5	59.7	-15.7	0	0	0	111.5	K71 E72 M73	K71-D93 WeakPolarHBondContact CE-OD2 3.43Å; K71-D93 HydrophobicContact CG-CB 4.45Å; K71-D93 IonicContact NZ-OD2 2.63Å; K71-D93 PolarHBondContact NZ-OD2 2.91Å; E72-D93 CarbonylContact O-C 3.58Å; E72-D93 WeakPolarHBondContact O-CA 3.41Å; E72-D93 WeakPolarHBondContact O-CB 3.36Å; M73-D93 HydrophobicContact CG-CB 4.15Å
94	R	97.6	Very high	92.2	Very high	116 Å²	116	104.7 Å²	104.7	44%	0.438	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	152.2	167.7	70.9	-179.5	170.8	160.5	4.8	110.2	E72 W74 I96	E72-R94 HydrophobicContact CB-CG 3.97Å; E72-R94 PolarHBondContact N-O 3.46Å; E72-R94 PolarHBondContact O-N 2.82Å; E72-R94 IonicContact OE1-CZ 3.78Å; E72-R94 IonicContact OE1-NE 2.89Å; E72-R94 IonicContact OE1-NH2 3.57Å; E72-R94 PolarHBondContact OE1-NH2 3.2Å; E72-R94 IonicContact OE2-CZ 2.92Å; E72-R94 IonicContact OE2-NE 3.32Å; E72-R94 PolarHBondContact OE2-NE 2.81Å; E72-R94 IonicContact OE2-NH2 3.87Å; E72-R94 PolarHBondContact OE2-NH2 3.2Å; W74-R94 HydrophobicContact CH2-CB 4.27Å; W74-R94 HydrophobicContact CH2-CG 4.23Å; W74-R94 HydrophobicContact CZ3-CB 4.22Å; W74-R94 HydrophobicContact CZ3-CG 3.89Å; R94-I96 HydrophobicContact CG-CD1 4.41Å; R94-I96 HydrophobicContact CG-CG1 4.41Å
95	Y	98.1	Very high	93.2	Very high	140 Å²	140	99.4 Å²	99.4	55%	0.549	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.5	178	-174.4	-98	0	0	0	111.1	N69 V70	N69-Y95 WeakPolarHBondContact CA-OH 3.3Å; N69-Y95 HydrophobicContact CB-CE2 4.31Å; N69-Y95 WeakPolarHBondContact CB-OH 3.25Å; N69-Y95 PolarHBondContact OD1-OH 3.31Å; V70-Y95 CarbonylContact O-C 3.56Å; V70-Y95 WeakPolarHBondContact O-CA 3.4Å
96	I	98.1	Very high	94.2	Very high	36 Å²	36	91.3 Å²	91.3	19%	0.185	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	116.2	-178.3	-53.9	173.5	0	0	0	107.9	V70 R94 K98 M99	V70-I96 HydrophobicContact CB-CB 4.36Å; V70-I96 PolarHBondContact N-O 2.91Å; V70-I96 PolarHBondContact O-N 2.63Å; R94-I96 HydrophobicContact CG-CD1 4.41Å; R94-I96 HydrophobicContact CG-CG1 4.41Å; I96-K98 WeakPolarHBondContact CG2-O 3.36Å; I96-K98 PolarHBondContact O-N 3.18Å; I96-M99 HydrophobicContact CD1-CE 3.33Å; I96-M99 HydrophobicContact CD1-SD 4.47Å; I96-M99 HydrophobicContact CG2-CB 4.07Å
97	S	97.9	Very high	95.3	Very high	75 Å²	75	86.7 Å²	86.7	52%	0.524	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	-43.3	-173.9	-49.8	0	0	0	0	112.8	E68 N69	E68-S97 WeakPolarHBondContact CA-O 3.06Å; N69-S97 PolarHBondContact N-O 2.83Å
98	K	97.9	Very high	96.1	Very high	148 Å²	148	88.7 Å²	88.7	64%	0.643	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.9	178.4	-61.5	-179.7	-175.5	-82.3	0	109.3	L67 E68 I96	L67-K98 WeakPolarHBondContact O-CA 3.35Å; E68-K98 HydrophobicContact CG-CG 4.29Å; E68-K98 IonicContact OE1-NZ 2.63Å; E68-K98 PolarHBondContact OE1-NZ 2.98Å; I96-K98 WeakPolarHBondContact CG2-O 3.36Å; I96-K98 PolarHBondContact O-N 3.18Å
99	M	97.5	Very high	96.6	Very high	37 Å²	37	82.1 Å²	82.1	18%	0.182	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.8	-176.4	171.6	176.4	-101.5	0	0	110.4	L52 L67 V70 I96	L52-M99 HydrophobicContact CD1-SD 4.13Å; L52-M99 HydrophobicContact CD2-SD 4.4Å; L67-M99 HydrophobicContact CB-CB 4.42Å; L67-M99 HydrophobicContact CD1-SD 4.48Å; L67-M99 PolarHBondContact N-O 2.83Å; L67-M99 PolarHBondContact O-N 2.91Å; V70-M99 HydrophobicContact CG1-SD 4.17Å; V70-M99 HydrophobicContact CG2-CB 4.12Å; I96-M99 HydrophobicContact CD1-CE 3.33Å; I96-M99 HydrophobicContact CD1-SD 4.47Å; I96-M99 HydrophobicContact CG2-CB 4.07Å
100	F	98.3	Very high	96.9	Very high	139 Å²	139	82.8 Å²	82.8	61%	0.61	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.9	162.4	178.8	-99.9	0	0	0	109	N64 V66	N64-F100 HydrophobicContact CB-CE2 4.21Å; N64-F100 HydrophobicContact CB-CZ 4.03Å; V66-F100 HydrophobicContact CG2-CD2 4.29Å
101	L	97.9	Very high	96.9	Very high	17 Å²	17	82.4 Å²	82.4	9%	0.089	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.2	177.4	-179.4	66.4	0	0	0	109.6	I44 L52 N64 M65 L67 V106	I44-L101 HydrophobicContact CD1-CD2 4.08Å; I44-L101 HydrophobicContact CG2-CD2 4.15Å; L52-L101 HydrophobicContact CD1-CD1 3.98Å; L52-L101 HydrophobicContact CD1-CD2 3.76Å; L52-L101 HydrophobicContact CD1-CG 4.44Å; N64-L101 CarbonylContact C-O 3.48Å; N64-L101 VanDerWaalsContact CA-O 3.31Å; N64-L101 WeakPolarHBondContact CA-O 3.15Å; M65-L101 PolarHBondContact N-O 2.96Å; M65-L101 PolarHBondContact O-N 2.95Å; L67-L101 HydrophobicContact CD1-CB 4.15Å; L67-L101 HydrophobicContact CD1-CD2 4.14Å; L101-V106 HydrophobicContact CD2-CG2 3.7Å; L101-V106 HydrophobicContact CG-CG2 4.26Å
102	R	97.9	Very high	96.6	Very high	145 Å²	145	79.1 Å²	79.1	55%	0.547	39%	0.386	S	S	.	.			trans	-80.2	136.6	173.5	-171.9	175.2	171.2	79.5	11.5	110.9	N64 D104 S105	N64-R102 WeakPolarHBondContact OD1-CA 3.39Å; R102-D104 VanDerWaalsContact C-N 3.34Å; R102-D104 IonicContact CZ-OD2 2.73Å; R102-D104 IonicContact NE-OD2 2.81Å; R102-D104 PolarHBondContact NE-OD2 2.86Å; R102-D104 IonicContact NH2-OD2 3.58Å; R102-D104 PolarHBondContact NH2-OD2 2.85Å; R102-D104 PolarHBondContact O-N 3.25Å; R102-S105 WeakPolarHBondContact O-CB 3.19Å; R102-S105 PolarHBondContact O-N 3.41Å
103	G	97.4	Very high	96.1	Very high	9 Å²	9	79.3 Å²	79.3	9%	0.093	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-66	-28.2	-173.1	0	0	0	0	0	115.4	H62 C63 N64 S105 V106	H62-G103 WeakPolarHBondContact O-CA 3.37Å; C63-G103 VanDerWaalsContact C-CA 3.5Å; C63-G103 WeakPolarHBondContact O-CA 3.43Å; N64-G103 PolarHBondContact OD1-N 3.24Å; G103-S105 PolarHBondContact O-N 2.87Å; G103-V106 WeakPolarHBondContact O-CB 3.48Å; G103-V106 PolarHBondContact O-N 2.89Å
104	D	97.4	Very high	94.7	Very high	92 Å²	92	80 Å²	80	49%	0.492	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-59.1	-22.4	175.1	-59.4	-34.7	0	0	0	113.4	R102	R102-D104 VanDerWaalsContact C-N 3.34Å; R102-D104 IonicContact CZ-OD2 2.73Å; R102-D104 IonicContact NE-OD2 2.81Å; R102-D104 PolarHBondContact NE-OD2 2.86Å; R102-D104 IonicContact NH2-OD2 3.58Å; R102-D104 PolarHBondContact NH2-OD2 2.85Å; R102-D104 PolarHBondContact O-N 3.25Å
105	S	96.6	Very high	92.9	Very high	53 Å²	53	82 Å²	82	37%	0.371	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-85	-13.6	178.5	-63.9	0	0	0	0	113.2	C46 R47 R102 G103	C46-S105 CarbonylContact C-O 3.45Å; C46-S105 WeakPolarHBondContact CA-O 3.35Å; R47-S105 PolarHBondContact N-O 2.73Å; R102-S105 WeakPolarHBondContact O-CB 3.19Å; R102-S105 PolarHBondContact O-N 3.41Å; G103-S105 PolarHBondContact O-N 2.87Å
106	V	97.1	Very high	90.7	Very high	29 Å²	29	81.6 Å²	81.6	18%	0.176	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.5	-175.2	178.9	0	0	0	0	110	I44 L101 G103 V109	I44-V106 HydrophobicContact CG2-CB 4.48Å; I44-V106 HydrophobicContact CG2-CG1 3.94Å; I44-V106 HydrophobicContact CG2-CG2 4.06Å; L101-V106 HydrophobicContact CD2-CG2 3.7Å; L101-V106 HydrophobicContact CG-CG2 4.26Å; G103-V106 WeakPolarHBondContact O-CB 3.48Å; G103-V106 PolarHBondContact O-N 2.89Å; V106-V109 HydrophobicContact CG1-CG2 3.66Å
107	I	97.3	Very high	88.3	Confident	102 Å²	102	82.7 Å²	82.7	52%	0.523	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-52.7	172.1	-55.9	177.9	0	0	0	110.1	N45 R47	N45-I107 PolarHBondContact O-N 2.97Å; R47-I107 HydrophobicContact CB-CD1 4.26Å; R47-I107 HydrophobicContact CB-CG1 4.36Å
108	V	96.4	Very high	85.3	Confident	71 Å²	71	92.7 Å²	92.7	43%	0.43	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.1	-176.4	-178.7	0	0	0	0	109.1	I44 N45	I44-V108 WeakPolarHBondContact CA-O 3.13Å; N45-V108 HydrophobicContact CB-CB 4.42Å; N45-V108 PolarHBondContact N-O 3.35Å
109	V	96.6	Very high	84.6	Confident	43 Å²	43	90 Å²	90	26%	0.261	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.2	169.7	-176.7	0	0	0	0	108.1	L32 V42 I44 M65 V106	L32-V109 HydrophobicContact CD2-CG1 3.85Å; V42-V109 HydrophobicContact CB-CG1 4.35Å; I44-V109 HydrophobicContact CG1-CG1 4.45Å; I44-V109 HydrophobicContact CG1-CG2 4.48Å; M65-V109 HydrophobicContact CE-CG2 3.97Å; V106-V109 HydrophobicContact CG1-CG2 3.66Å
110	L	95.6	Very high	84	Confident	103 Å²	103	92.7 Å²	92.7	54%	0.539	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.9	176.1	-138.6	117.7	0	0	0	108.7	V42 L43 N112	V42-L110 CarbonylContact C-O 3.52Å; V42-L110 WeakPolarHBondContact CA-O 3.49Å; L43-L110 HydrophobicContact CB-CB 4.36Å; L43-L110 PolarHBondContact N-O 2.85Å; L43-L110 PolarHBondContact O-N 3.41Å; L110-N112 PolarHBondContact O-N 2.57Å
111	R	93.3	Very high	83.2	Confident	61 Å²	61	90.2 Å²	90.2	23%	0.23	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.7	171.8	-178.3	176.7	175.2	-175.9	-1.6	108.7	V31 N38 T40 P113	V31-R111 HydrophobicContact CG1-CB 3.87Å; N38-R111 PolarHBondContact ND2-NH2 2.98Å; T40-R111 PolarHBondContact OG1-NE 3.44Å; R111-P113 WeakPolarHBondContact O-CD 3.21Å
112	N	88.6	Confident	82.3	Confident	60 Å²	60	94.5 Å²	94.5	32%	0.321	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-72	118.2	172.7	-168.1	8	0	0	0	107.7	Q41 L110 L114	Q41-N112 HydrophobicContact CB-CB 4.13Å; Q41-N112 WeakPolarHBondContact O-CB 3.47Å; Q41-N112 PolarHBondContact O-N 3.04Å; Q41-N112 PolarHBondContact OE1-ND2 3.45Å; L110-N112 PolarHBondContact O-N 2.57Å; N112-L114 PolarHBondContact O-N 3.28Å
113	P	83.2	Confident	81.3	Confident	96 Å²	96	91.3 Å²	91.3	62%	0.623	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-55.3	138.4	171.3	23.4	-31.9	0	0	0	108.2	R111 I115	R111-P113 WeakPolarHBondContact O-CD 3.21Å; P113-I115 PolarHBondContact O-N 2.94Å
114	L	67.8	Low	80.2	Confident	109 Å²	109	96.8 Å²	96.8	57%	0.571	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-54.4	133	170.3	-67.1	170.3	0	0	0	106.6	T40 N112 T116	T40-L114 HydrophobicContact CG2-CD1 4.39Å; T40-L114 HydrophobicContact CG2-CD2 3.71Å; T40-L114 HydrophobicContact CG2-CG 3.96Å; N112-L114 PolarHBondContact O-N 3.28Å; L114-T116 PolarHBondContact O-N 3.09Å
115	I	60	Low	79	Confident	158 Å²	158	97.1 Å²	97.1	81%	0.81	54%	0.536	S	S	*	.			trans	-63.7	88.5	163.8	-58.4	168.9	0	0	0	104.4	P113 G117	P113-I115 PolarHBondContact O-N 2.94Å; I115-G117 PolarHBondContact O-N 3.19Å
116	T	51.1	Low	77.7	Confident	131 Å²	131	100.5 Å²	100.5	80%	0.804	55%	0.549	S	S	*	.			trans	-58.8	99.2	157.6	35.5	0	0	0	0	104.2	L114	L114-T116 PolarHBondContact O-N 3.09Å
117	G	49.5	Very low	76	Confident	59 Å²	59	106.5 Å²	106.5	61%	0.608	58%	0.58	S	S	*	*			trans	-52.6	141.3	-175	0	0	0	0	0	111.1	I115	I115-G117 PolarHBondContact O-N 3.19Å
118	K	33.3	Very low	74.1	Confident	285 Å²	285	106.9 Å²	106.9	100%	1.239	59%	0.585	S	S	*	*			trans	-68	0	136.6	-76.6	-176.8	174.1	-177.3	0	108.4

Retrieved 118 of 118 residues in 68.9 ms (Link to these results)

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