A0A060VZ23_ONCMY Loading...

Polyglutamine-binding protein 1

AlphaFold DB , UniProt , Accession A0A060VZ23, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene pqbp1, Length 228 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.7	Low	83.5	Confident	229 Å²	229	104.9 Å²	104.9	100%	1.128	59%	0.59	S	S	*	*				0	130	0	-59	-169.4	-143.6	0	0	107.5
2	P	79.6	Confident	83.5	Confident	132 Å²	132	98.7 Å²	98.7	86%	0.857	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-64.4	139.3	177	27.5	-33	0	0	0	110.1
3	L	82.1	Confident	83.6	Confident	94 Å²	94	106.2 Å²	106.2	49%	0.492	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-70.1	144.1	177.5	-67.7	172.8	0	0	0	110.1	L11	L3-L11 HydrophobicContact CD1-CD1 4.01Å
4	P	87.6	Confident	83.8	Confident	73 Å²	73	113.4 Å²	113.4	47%	0.474	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-67.1	144.7	177.1	19.2	-21.4	0	0	0	111	A6 L7 L8	P4-A6 VanDerWaalsContact C-N 3.28Å; P4-A6 PolarHBondContact O-N 3.42Å; P4-A6 VanDerWaalsContact O-N 3.14Å; P4-L7 HydrophobicContact CG-CB 4.03Å; P4-L7 HydrophobicContact CG-CD1 3.98Å; P4-L7 WeakPolarHBondContact O-CB 3.3Å; P4-L7 PolarHBondContact O-N 3.13Å; P4-L8 PolarHBondContact O-N 2.57Å; P4-L8 VanDerWaalsContact O-N 3.09Å
5	P	82.8	Confident	83.6	Confident	111 Å²	111	110.1 Å²	110.1	72%	0.721	60%	0.602	S	S	*	*	H	α-helix	trans	-54.6	-38.4	-171.9	-27.6	33.6	0	0	0	114.4	L7 L8 A9	P5-L7 VanDerWaalsContact C-N 3.3Å; P5-L7 PolarHBondContact O-N 3.18Å; P5-L8 WeakPolarHBondContact O-CB 3.45Å; P5-L8 PolarHBondContact O-N 3.41Å; P5-A9 PolarHBondContact O-N 3.26Å
6	A	83.4	Confident	83.6	Confident	76 Å²	76	110.4 Å²	110.4	63%	0.628	60%	0.601	S	S	*	*	H	α-helix	trans	-65.9	-32.1	178.6	0	0	0	0	0	113.2	P4 R10	P4-A6 VanDerWaalsContact C-N 3.28Å; P4-A6 PolarHBondContact O-N 3.42Å; P4-A6 VanDerWaalsContact O-N 3.14Å; A6-R10 PolarHBondContact O-N 2.75Å
7	L	85.1	Confident	82.9	Confident	84 Å²	84	107.6 Å²	107.6	44%	0.44	59%	0.586	S	S	.	*	H	α-helix	trans	-76.3	-40.1	176.3	-119.6	166.7	0	0	0	110.5	P4 P5 R10 L11	P4-L7 HydrophobicContact CG-CB 4.03Å; P4-L7 HydrophobicContact CG-CD1 3.98Å; P4-L7 WeakPolarHBondContact O-CB 3.3Å; P4-L7 PolarHBondContact O-N 3.13Å; P5-L7 VanDerWaalsContact C-N 3.3Å; P5-L7 PolarHBondContact O-N 3.18Å; L7-R10 PolarHBondContact O-N 3.4Å; L7-L11 HydrophobicContact CD2-CD1 4.11Å; L7-L11 HydrophobicContact CD2-CG 4.16Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 VanDerWaalsContact O-CG 3.27Å; L7-L11 WeakPolarHBondContact O-CG 2.97Å; L7-L11 PolarHBondContact O-N 3.15Å
8	L	87.6	Confident	82	Confident	65 Å²	65	112.8 Å²	112.8	34%	0.34	60%	0.601	S	S	.	*	H	α-helix	trans	-57	-51.3	175	-161.8	163.8	0	0	0	110.6	P4 P5 R10 L11 A12 L17 H19	P4-L8 PolarHBondContact O-N 2.57Å; P4-L8 VanDerWaalsContact O-N 3.09Å; P5-L8 WeakPolarHBondContact O-CB 3.45Å; P5-L8 PolarHBondContact O-N 3.41Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.38Å; L8-A12 WeakPolarHBondContact O-CB 3.24Å; L8-A12 PolarHBondContact O-N 3Å; L8-L17 HydrophobicContact CD2-CD2 3.72Å; L8-L17 HydrophobicContact CG-CD2 3.77Å; L8-H19 VanDerWaalsContact CD2-CE1 3.49Å; L8-H19 WeakPolarHBondContact CD2-CE1 3.39Å; L8-H19 WeakPolarHBondContact CD2-NE2 3.39Å
9	A	83.9	Confident	80.7	Confident	57 Å²	57	111.3 Å²	111.3	47%	0.471	59%	0.59	S	S	.	*	H	α-helix	trans	-60.5	-39.2	177.6	0	0	0	0	0	112.9	P5 A12 K13	P5-A9 PolarHBondContact O-N 3.26Å; A9-A12 WeakPolarHBondContact O-CB 3.37Å; A9-K13 WeakPolarHBondContact O-CB 3.46Å; A9-K13 PolarHBondContact O-N 2.74Å
10	R	87	Confident	79.2	Confident	193 Å²	193	110.7 Å²	110.7	73%	0.728	60%	0.596	S	S	*	*	H	α-helix	trans	-67.6	-39	176.2	-99.8	179.3	166.6	151.6	-2.5	112.7	A6 L7 L8 R14	A6-R10 PolarHBondContact O-N 2.75Å; L7-R10 PolarHBondContact O-N 3.4Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 3.15Å; R10-R14 WeakPolarHBondContact O-CB 3.45Å; R10-R14 WeakPolarHBondContact O-CG 3.35Å; R10-R14 PolarHBondContact O-N 3.33Å; R10-R14 VanDerWaalsContact O-N 3.17Å
11	L	89.4	Confident	77.7	Confident	40 Å²	40	111.9 Å²	111.9	21%	0.209	60%	0.602	C	S	.	*	H	α-helix	trans	-70.8	-37.2	176.5	-69.4	172.7	0	0	0	111.5	L3 L7 L8 R14 G15 I16 L17	L3-L11 HydrophobicContact CD1-CD1 4.01Å; L7-L11 HydrophobicContact CD2-CD1 4.11Å; L7-L11 HydrophobicContact CD2-CG 4.16Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 VanDerWaalsContact O-CG 3.27Å; L7-L11 WeakPolarHBondContact O-CG 2.97Å; L7-L11 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.38Å; L11-R14 CarbonylContact O-C 3.54Å; L11-R14 PolarHBondContact O-N 3.04Å; L11-G15 PolarHBondContact O-N 2.95Å; L11-I16 HydrophobicContact CB-CB 4.42Å; L11-I16 HydrophobicContact CD2-CB 4.15Å; L11-I16 HydrophobicContact CD2-CD1 3.8Å; L11-I16 HydrophobicContact CD2-CG2 4.11Å; L11-I16 PolarHBondContact O-N 3.06Å; L11-L17 HydrophobicContact CB-CB 4.22Å; L11-L17 PolarHBondContact O-N 3.34Å
12	A	83.6	Confident	76.8	Confident	30 Å²	30	108.3 Å²	108.3	25%	0.248	58%	0.582	C	S	.	*	H	α-helix	trans	-57.8	-53.4	170.6	0	0	0	0	0	111.3	L8 A9 R14 G15 H19	L8-A12 WeakPolarHBondContact O-CB 3.24Å; L8-A12 PolarHBondContact O-N 3Å; A9-A12 WeakPolarHBondContact O-CB 3.37Å; A12-R14 PolarHBondContact O-N 2.92Å; A12-R14 VanDerWaalsContact O-N 3.14Å; A12-G15 PolarHBondContact O-N 3.44Å; A12-H19 WeakPolarHBondContact CB-CE1 3.24Å; A12-H19 VanDerWaalsContact CB-NE2 3.33Å; A12-H19 WeakPolarHBondContact CB-NE2 3.17Å
13	K	84.7	Confident	75.4	Confident	196 Å²	196	110 Å²	110	85%	0.852	58%	0.584	S	S	*	*	H	α-helix	trans	-60.6	-25.7	178.8	-116.2	179.6	179	176.4	0	113.6	A9	A9-K13 WeakPolarHBondContact O-CB 3.46Å; A9-K13 PolarHBondContact O-N 2.74Å
14	R	87.3	Confident	74.1	Confident	207 Å²	207	109.5 Å²	109.5	78%	0.781	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	3.1	175.7	-75.7	-169	160.7	173.1	-4.3	113.4	R10 L11 A12 I16	R10-R14 WeakPolarHBondContact O-CB 3.45Å; R10-R14 WeakPolarHBondContact O-CG 3.35Å; R10-R14 PolarHBondContact O-N 3.33Å; R10-R14 VanDerWaalsContact O-N 3.17Å; L11-R14 CarbonylContact O-C 3.54Å; L11-R14 PolarHBondContact O-N 3.04Å; A12-R14 PolarHBondContact O-N 2.92Å; A12-R14 VanDerWaalsContact O-N 3.14Å; R14-I16 HydrophobicContact CB-CD1 3.85Å; R14-I16 HydrophobicContact CB-CG1 4.09Å; R14-I16 PolarHBondContact O-N 2.82Å
15	G	79.8	Confident	72.3	Confident	64 Å²	64	113 Å²	113	66%	0.66	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	69	16.1	179.3	0	0	0	0	0	114.2	L11 A12	L11-G15 PolarHBondContact O-N 2.95Å; A12-G15 PolarHBondContact O-N 3.44Å
16	I	83.4	Confident	70.4	Confident	115 Å²	115	116.4 Å²	116.4	59%	0.59	61%	0.614	S	S	*	*			trans	-85.7	-31.2	-177.3	-60.5	167.2	0	0	0	110.5	L11 R14	L11-I16 HydrophobicContact CB-CB 4.42Å; L11-I16 HydrophobicContact CD2-CB 4.15Å; L11-I16 HydrophobicContact CD2-CD1 3.8Å; L11-I16 HydrophobicContact CD2-CG2 4.11Å; L11-I16 PolarHBondContact O-N 3.06Å; R14-I16 HydrophobicContact CB-CD1 3.85Å; R14-I16 HydrophobicContact CB-CG1 4.09Å; R14-I16 PolarHBondContact O-N 2.82Å
17	L	72.1	Confident	68.8	Low	64 Å²	64	120.5 Å²	120.5	34%	0.335	62%	0.621	S	S	.	*	S	Bend	trans	-107	111	176.2	-155.8	90.7	0	0	0	109.4	L8 L11 H19	L8-L17 HydrophobicContact CD2-CD2 3.72Å; L8-L17 HydrophobicContact CG-CD2 3.77Å; L11-L17 HydrophobicContact CB-CB 4.22Å; L11-L17 PolarHBondContact O-N 3.34Å; L17-H19 PolarHBondContact O-N 3.05Å; L17-H19 VanDerWaalsContact O-N 3.16Å; L17-H19 PolarHBondContact O-ND1 3.3Å
18	K	67.8	Low	67.3	Low	200 Å²	200	123.6 Å²	123.6	87%	0.87	64%	0.636	S	S	*	*			trans	-67.7	109.8	169.4	-62.7	-176.1	-179.2	-175.3	0	107.7	S20	K18-S20 PolarHBondContact O-N 2.88Å
19	H	56	Low	65.2	Low	85 Å²	85	126.4 Å²	126.4	39%	0.394	65%	0.65	S	S	.	*			trans	-71.5	126.2	168.1	-69.3	26	0	0	0	105.3	L8 A12 L17 D21	L8-H19 VanDerWaalsContact CD2-CE1 3.49Å; L8-H19 WeakPolarHBondContact CD2-CE1 3.39Å; L8-H19 WeakPolarHBondContact CD2-NE2 3.39Å; A12-H19 WeakPolarHBondContact CB-CE1 3.24Å; A12-H19 VanDerWaalsContact CB-NE2 3.33Å; A12-H19 WeakPolarHBondContact CB-NE2 3.17Å; L17-H19 PolarHBondContact O-N 3.05Å; L17-H19 VanDerWaalsContact O-N 3.16Å; L17-H19 PolarHBondContact O-ND1 3.3Å; H19-D21 PolarHBondContact O-N 3.12Å
20	S	51.1	Low	63.5	Low	99 Å²	99	126.6 Å²	126.6	69%	0.692	65%	0.652	S	S	*	*			trans	-66.8	97.1	163.2	46.8	0	0	0	0	105.1	K18 Q22	K18-S20 PolarHBondContact O-N 2.88Å; S20-Q22 PolarHBondContact O-N 3.26Å
21	D	48.7	Very low	61.6	Low	136 Å²	136	123 Å²	123	73%	0.727	64%	0.643	S	S	*	*			trans	-68.2	65.2	177.1	-59	-45	0	0	0	109.9	H19	H19-D21 PolarHBondContact O-N 3.12Å
22	Q	50.5	Low	60	Low	154 Å²	154	128 Å²	128	72%	0.72	67%	0.67	S	S	*	*			trans	-105.5	125.2	157.7	-77.6	168.7	-45.6	0	0	104.1	S20	S20-Q22 PolarHBondContact O-N 3.26Å
23	D	49.1	Very low	58.4	Low	168 Å²	168	135.1 Å²	135.1	90%	0.898	69%	0.692	S	S	*	*	S	Bend	trans	108.1	14.1	168.9	-44	-27.3	0	0	0	118.2
24	A	55.7	Low	57.1	Low	83 Å²	83	131 Å²	131	69%	0.686	68%	0.679	S	S	*	*	S	Bend	trans	-131.2	-14.6	175.5	0	0	0	0	0	118.1
25	D	48.5	Very low	55.6	Low	147 Å²	147	127.7 Å²	127.7	79%	0.786	68%	0.677	S	S	*	*			trans	-122.1	20.2	-174.6	-64.1	-23	0	0	0	114.2	E27	D25-E27 PolarHBondContact O-N 3.18Å
26	E	44	Very low	54.6	Low	181 Å²	181	129 Å²	129	85%	0.846	67%	0.669	S	S	*	*			trans	-85	68	155.7	-68.8	-174.2	-161.9	0	0	107.9	I28	E26-I28 VanDerWaalsContact C-N 3.26Å; E26-I28 PolarHBondContact O-N 3.24Å
27	E	49.7	Very low	53.6	Low	163 Å²	163	125.5 Å²	125.5	76%	0.762	65%	0.651	S	S	*	*			trans	-56.6	105.3	151.8	-72.8	-171.7	172.2	0	0	105.4	D25 I29	D25-E27 PolarHBondContact O-N 3.18Å; E27-I29 PolarHBondContact O-N 3.17Å
28	I	53.7	Low	53.3	Low	149 Å²	149	123.5 Å²	123.5	76%	0.764	64%	0.642	S	S	*	*			trans	-64.4	86.7	170	-61.4	168.8	0	0	0	105.2	E26 A30	E26-I28 VanDerWaalsContact C-N 3.26Å; E26-I28 PolarHBondContact O-N 3.24Å; I28-A30 HydrophobicContact CG2-CB 3.94Å; I28-A30 PolarHBondContact O-N 3.36Å
29	I	42.3	Very low	53.3	Low	123 Å²	123	116.7 Å²	116.7	63%	0.631	62%	0.615	S	S	*	*			trans	-69	66.5	155.6	-52.5	163.6	0	0	0	104.7	E27 E31	E27-I29 PolarHBondContact O-N 3.17Å; I29-E31 HydrophobicContact CG2-CG 3.8Å; I29-E31 PolarHBondContact O-N 3.5Å
30	A	49.3	Very low	53.7	Low	61 Å²	61	119.3 Å²	119.3	50%	0.504	62%	0.622	S	S	.	*			trans	-65.6	86.5	144.6	0	0	0	0	0	103.1	I28 D32	I28-A30 HydrophobicContact CG2-CB 3.94Å; I28-A30 PolarHBondContact O-N 3.36Å; A30-D32 PolarHBondContact O-N 3.42Å
31	E	46.4	Very low	54.3	Low	117 Å²	117	120.7 Å²	120.7	55%	0.547	62%	0.618	S	S	.	*			trans	-45.1	103.4	139.7	-79.8	160.7	-140.3	0	0	103.6	I29 Y33	I29-E31 HydrophobicContact CG2-CG 3.8Å; I29-E31 PolarHBondContact O-N 3.5Å; E31-Y33 HydrophobicContact CB-CD2 3.57Å; E31-Y33 HydrophobicContact CB-CE2 3.68Å; E31-Y33 HydrophobicContact CG-CE2 4.37Å; E31-Y33 PolarHBondContact O-N 3.31Å; E31-Y33 WeakPolarHBondContact OE2-CE2 3.43Å; E31-Y33 PolarHBondContact OE2-OH 3.47Å
32	D	56.3	Low	55.1	Low	146 Å²	146	114.8 Å²	114.8	78%	0.781	59%	0.588	S	S	*	*			trans	-60.6	77.4	166.9	-68.4	-25	0	0	0	105.2	A30 D34	A30-D32 PolarHBondContact O-N 3.42Å; D32-D34 PolarHBondContact O-N 2.92Å
33	Y	50.7	Low	56.1	Low	179 Å²	179	108.3 Å²	108.3	70%	0.702	56%	0.559	S	S	*	*			trans	-67.9	46.4	161.4	-85.3	-78.1	0	0	0	108	E31 D35	E31-Y33 HydrophobicContact CB-CD2 3.57Å; E31-Y33 HydrophobicContact CB-CE2 3.68Å; E31-Y33 HydrophobicContact CG-CE2 4.37Å; E31-Y33 PolarHBondContact O-N 3.31Å; E31-Y33 WeakPolarHBondContact OE2-CE2 3.43Å; E31-Y33 PolarHBondContact OE2-OH 3.47Å; Y33-D35 PolarHBondContact O-N 3.19Å
34	D	57	Low	56.9	Low	111 Å²	111	103.9 Å²	103.9	59%	0.594	55%	0.546	S	S	*	.			trans	-79.5	74.5	154.2	-159.4	35.2	0	0	0	106.2	D32 N36	D32-D34 PolarHBondContact O-N 2.92Å; D34-N36 VanDerWaalsContact CG-CG 3.48Å; D34-N36 PolarHBondContact O-N 2.74Å; D34-N36 PolarHBondContact OD1-ND2 3.16Å; D34-N36 PolarHBondContact OD1-OD1 2.98Å; D34-N36 PolarHBondContact OD2-ND2 2.78Å
35	D	56.6	Low	57.7	Low	137 Å²	137	108.7 Å²	108.7	73%	0.733	55%	0.546	S	S	*	.			trans	-67.1	39.6	168.7	-149.3	8.8	0	0	0	109.5	Y33 N37	Y33-D35 PolarHBondContact O-N 3.19Å; D35-N37 PolarHBondContact O-N 3.2Å
36	N	58.7	Low	59.1	Low	92 Å²	92	104.8 Å²	104.8	49%	0.492	52%	0.523	S	S	.	.			trans	-78	52.8	173.4	-83.5	-17.9	0	0	0	109.1	D34 V38	D34-N36 VanDerWaalsContact CG-CG 3.48Å; D34-N36 PolarHBondContact O-N 2.74Å; D34-N36 PolarHBondContact OD1-ND2 3.16Å; D34-N36 PolarHBondContact OD1-OD1 2.98Å; D34-N36 PolarHBondContact OD2-ND2 2.78Å; N36-V38 PolarHBondContact O-N 3.27Å
37	N	60.9	Low	61	Low	40 Å²	40	102.9 Å²	102.9	21%	0.214	52%	0.519	C	S	.	.			trans	-62.1	-17	163.8	-148.1	60.7	0	0	0	110.7	D35 V55 F56 P58	D35-N37 PolarHBondContact O-N 3.2Å; N37-V55 HydrophobicContact CB-CG1 4.37Å; N37-V55 WeakPolarHBondContact ND2-CG1 3.4Å; N37-V55 CarbonylContact O-C 3.58Å; N37-V55 WeakPolarHBondContact O-CA 3.38Å; N37-V55 WeakPolarHBondContact O-CG1 3.49Å; N37-F56 PolarHBondContact ND2-O 3.17Å; N37-F56 PolarHBondContact O-N 2.87Å; N37-F56 PolarHBondContact OD1-O 2.89Å; N37-P58 WeakPolarHBondContact OD1-CD 3.39Å; N37-P58 WeakPolarHBondContact OD1-CG 3.37Å
38	V	65.4	Low	62.7	Low	22 Å²	22	96.4 Å²	96.4	13%	0.133	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-108.7	112.6	177.9	-172	0	0	0	0	109	N36 Y40 Y53 V55	N36-V38 PolarHBondContact O-N 3.27Å; V38-Y40 HydrophobicContact CB-CD2 4.3Å; V38-Y40 HydrophobicContact CB-CE1 4.45Å; V38-Y40 HydrophobicContact CB-CE2 3.82Å; V38-Y40 HydrophobicContact CG1-CD1 3.99Å; V38-Y40 HydrophobicContact CG1-CD2 4.19Å; V38-Y40 HydrophobicContact CG1-CE1 3.73Å; V38-Y40 HydrophobicContact CG1-CE2 3.94Å; V38-Y40 HydrophobicContact CG1-CG 4.22Å; V38-Y40 WeakPolarHBondContact O-CD2 3.43Å; V38-Y40 PolarHBondContact O-N 2.65Å; V38-Y40 VanDerWaalsContact O-N 3.11Å; V38-Y53 HydrophobicContact CG1-CD1 4.25Å; V38-V55 HydrophobicContact CG2-CG1 4.23Å; V38-V55 HydrophobicContact CG2-CG2 4.12Å
39	D	69.4	Low	64.3	Low	57 Å²	57	91.5 Å²	91.5	31%	0.305	47%	0.467	S	S	.	.			trans	-85	85.2	174.5	-177.3	-10	0	0	0	109.5	E41 A42 T43 K54 F56	D39-E41 PolarHBondContact O-N 3.21Å; D39-E41 PolarHBondContact OD1-N 3.47Å; D39-A42 HydrophobicContact CB-CB 4Å; D39-A42 PolarHBondContact O-N 2.81Å; D39-A42 PolarHBondContact OD1-N 2.91Å; D39-A42 WeakPolarHBondContact OD2-CB 3.49Å; D39-T43 WeakPolarHBondContact O-CG2 3.45Å; D39-T43 PolarHBondContact O-N 2.88Å; D39-K54 PolarHBondContact N-O 3.04Å; D39-F56 HydrophobicContact CB-CD2 3.94Å; D39-F56 HydrophobicContact CB-CE2 3.52Å
40	Y	64.5	Low	66.4	Low	141 Å²	141	90.8 Å²	90.8	55%	0.553	47%	0.471	S	S	*	.	H	α-helix	trans	-58.5	-31.1	-179.3	-68.1	-78	0	0	0	112.6	V38 T43 A44 Y53	V38-Y40 HydrophobicContact CB-CD2 4.3Å; V38-Y40 HydrophobicContact CB-CE1 4.45Å; V38-Y40 HydrophobicContact CB-CE2 3.82Å; V38-Y40 HydrophobicContact CG1-CD1 3.99Å; V38-Y40 HydrophobicContact CG1-CD2 4.19Å; V38-Y40 HydrophobicContact CG1-CE1 3.73Å; V38-Y40 HydrophobicContact CG1-CE2 3.94Å; V38-Y40 HydrophobicContact CG1-CG 4.22Å; V38-Y40 WeakPolarHBondContact O-CD2 3.43Å; V38-Y40 PolarHBondContact O-N 2.65Å; V38-Y40 VanDerWaalsContact O-N 3.11Å; Y40-T43 VanDerWaalsContact C-OG1 3.31Å; Y40-T43 VanDerWaalsContact CA-OG1 3.31Å; Y40-T43 WeakPolarHBondContact CA-OG1 3.22Å; Y40-T43 PolarHBondContact O-OG1 2.84Å; Y40-A44 PolarHBondContact O-N 3.2Å; Y40-A44 VanDerWaalsContact O-N 3.16Å; Y40-Y53 HydrophobicContact CD1-CD1 4.28Å; Y40-Y53 HydrophobicContact CD1-CE1 4.32Å; Y40-Y53 HydrophobicContact CE1-CD1 4.02Å; Y40-Y53 AromaticContact CE1-CE1 3.98Å; Y40-Y53 HydrophobicContact CE1-CE1 3.98Å
41	E	62.6	Low	68.3	Low	127 Å²	127	91.3 Å²	91.3	59%	0.593	47%	0.465	S	S	*	.	H	α-helix	trans	-70.1	-44.2	176.3	-68.6	-162.4	178.8	0	0	112	D39 T43 A44 R45	D39-E41 PolarHBondContact O-N 3.21Å; D39-E41 PolarHBondContact OD1-N 3.47Å; E41-T43 VanDerWaalsContact C-N 3.31Å; E41-T43 PolarHBondContact O-N 2.81Å; E41-A44 PolarHBondContact O-N 3.04Å; E41-R45 WeakPolarHBondContact O-CG 3.49Å; E41-R45 PolarHBondContact O-N 3.36Å; E41-R45 IonicContact OE2-CZ 2.68Å; E41-R45 IonicContact OE2-NH2 3.81Å; E41-R45 PolarHBondContact OE2-NH2 3.31Å; E41-R45 VanDerWaalsContact OE2-NH2 3.14Å
42	A	66.6	Low	70.5	Confident	13 Å²	13	87 Å²	87	11%	0.107	44%	0.444	C	S	.	.	H	α-helix	trans	-64.3	-37.6	175.5	0	0	0	0	0	111.7	D39 A44 R45 E46 K54	D39-A42 HydrophobicContact CB-CB 4Å; D39-A42 PolarHBondContact O-N 2.81Å; D39-A42 PolarHBondContact OD1-N 2.91Å; D39-A42 WeakPolarHBondContact OD2-CB 3.49Å; A42-A44 VanDerWaalsContact C-N 3.34Å; A42-A44 PolarHBondContact O-N 3.16Å; A42-R45 PolarHBondContact O-N 2.96Å; A42-E46 WeakPolarHBondContact O-CG 3.27Å; A42-E46 PolarHBondContact O-N 2.99Å; A42-K54 HydrophobicContact CB-CD 3.91Å
43	T	70.2	Confident	72.1	Confident	17 Å²	17	83.7 Å²	83.7	10%	0.104	42%	0.421	C	S	.	.	H	α-helix	trans	-60.7	-42	175.4	58.6	0	0	0	0	113.4	D39 Y40 E41 R45 E46 L48 K54	D39-T43 WeakPolarHBondContact O-CG2 3.45Å; D39-T43 PolarHBondContact O-N 2.88Å; Y40-T43 VanDerWaalsContact C-OG1 3.31Å; Y40-T43 VanDerWaalsContact CA-OG1 3.31Å; Y40-T43 WeakPolarHBondContact CA-OG1 3.22Å; Y40-T43 PolarHBondContact O-OG1 2.84Å; E41-T43 VanDerWaalsContact C-N 3.31Å; E41-T43 PolarHBondContact O-N 2.81Å; T43-R45 VanDerWaalsContact C-N 3.29Å; T43-R45 PolarHBondContact O-N 3.29Å; T43-E46 PolarHBondContact O-N 3.13Å; T43-L48 HydrophobicContact CG2-CD1 4.07Å; T43-K54 HydrophobicContact CG2-CB 3.49Å; T43-K54 VanDerWaalsContact CG2-CB 3.49Å
44	A	67	Low	74	Confident	76 Å²	76	76.4 Å²	76.4	63%	0.628	39%	0.393	S	S	*	.	H	α-helix	trans	-68.3	-30.7	179.9	0	0	0	0	0	112.1	Y40 E41 A42	Y40-A44 PolarHBondContact O-N 3.2Å; Y40-A44 VanDerWaalsContact O-N 3.16Å; E41-A44 PolarHBondContact O-N 3.04Å; A42-A44 VanDerWaalsContact C-N 3.34Å; A42-A44 PolarHBondContact O-N 3.16Å
45	R	72.6	Confident	75.6	Confident	183 Å²	183	71.2 Å²	71.2	69%	0.691	37%	0.365	S	S	*	.	H	α-helix	trans	-76.1	-25.9	179.3	-71.4	176.9	-174.3	157.4	13.3	113.6	E41 A42 T43	E41-R45 WeakPolarHBondContact O-CG 3.49Å; E41-R45 PolarHBondContact O-N 3.36Å; E41-R45 IonicContact OE2-CZ 2.68Å; E41-R45 IonicContact OE2-NH2 3.81Å; E41-R45 PolarHBondContact OE2-NH2 3.31Å; E41-R45 VanDerWaalsContact OE2-NH2 3.14Å; A42-R45 PolarHBondContact O-N 2.96Å; T43-R45 VanDerWaalsContact C-N 3.29Å; T43-R45 PolarHBondContact O-N 3.29Å
46	E	76.6	Confident	77.2	Confident	66 Å²	66	67.7 Å²	67.7	31%	0.308	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.2	-172.2	-74.6	-179.2	177.9	0	0	114.7	A42 T43 L48 K54 Y65	A42-E46 WeakPolarHBondContact O-CG 3.27Å; A42-E46 PolarHBondContact O-N 2.99Å; T43-E46 PolarHBondContact O-N 3.13Å; E46-L48 HydrophobicContact CB-CD1 4.46Å; E46-L48 HydrophobicContact CB-CG 4.05Å; E46-L48 PolarHBondContact O-N 3.39Å; E46-K54 IonicContact OE1-NZ 3.93Å; E46-K54 PolarHBondContact OE1-NZ 3.09Å; E46-K54 IonicContact OE2-NZ 2.75Å; E46-Y65 WeakPolarHBondContact OE2-CE1 3.49Å; E46-Y65 PolarHBondContact OE2-OH 2.92Å; E46-Y65 VanDerWaalsContact OE2-OH 3.13Å
47	N	84.1	Confident	78.4	Confident	141 Å²	141	65.1 Å²	65.1	75%	0.754	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	42.4	-179	-64	-43	0	0	0	112.6
48	L	85.1	Confident	79.5	Confident	27 Å²	27	68.2 Å²	68.2	14%	0.141	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.7	151.7	180	-68.2	165.3	0	0	0	111	T43 E46 W52 K54 Y65 S77 P78	T43-L48 HydrophobicContact CG2-CD1 4.07Å; E46-L48 HydrophobicContact CB-CD1 4.46Å; E46-L48 HydrophobicContact CB-CG 4.05Å; E46-L48 PolarHBondContact O-N 3.39Å; L48-W52 HydrophobicContact CB-CB 4.1Å; L48-K54 HydrophobicContact CD1-CB 4.43Å; L48-Y65 HydrophobicContact CD1-CD1 4.06Å; L48-Y65 HydrophobicContact CD1-CE1 4.12Å; L48-Y65 HydrophobicContact CD2-CD1 3.65Å; L48-Y65 HydrophobicContact CD2-CE1 3.65Å; L48-Y65 HydrophobicContact CG-CE1 4.49Å; L48-S77 WeakPolarHBondContact CD2-OG 3.5Å; L48-P78 HydrophobicContact CD2-CG 4.32Å
49	P	87.2	Confident	80.1	Confident	46 Å²	46	74.7 Å²	74.7	30%	0.299	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-60.6	161.2	173.7	-16.6	29.3	0	0	0	111.4	N51 W52 P78 T79	P49-N51 PolarHBondContact O-N 3.32Å; P49-W52 WeakPolarHBondContact O-CB 3.1Å; P49-W52 PolarHBondContact O-N 3.07Å; P49-P78 HydrophobicContact CG-CB 4.01Å; P49-T79 HydrophobicContact CG-CG2 4.41Å
50	P	87.5	Confident	80.8	Confident	108 Å²	108	75 Å²	75	70%	0.701	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	142.3	179.6	-25.4	33.9	0	0	0	112.3	W52	P50-W52 PolarHBondContact O-N 3.13Å
51	N	89.4	Confident	81.8	Confident	71 Å²	71	70.6 Å²	70.6	38%	0.38	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	10.6	177.8	-50.9	-35.7	0	0	0	115.2	P49 N67 V68 E69	P49-N51 PolarHBondContact O-N 3.32Å; N51-N67 CarbonylContact O-C 3.58Å; N51-N67 VanDerWaalsContact O-CA 3.24Å; N51-N67 WeakPolarHBondContact O-CA 3.49Å; N51-V68 PolarHBondContact O-N 2.77Å; N51-E69 HydrophobicContact CB-CB 4.18Å; N51-E69 PolarHBondContact ND2-OE2 3.5Å
52	W	91.7	Very high	82.9	Confident	27 Å²	27	69.4 Å²	69.4	10%	0.102	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.4	171.3	-73.8	86.3	0	0	0	112.2	L48 P49 P50 W66 N67 L72 A74 P78 I85	L48-W52 HydrophobicContact CB-CB 4.1Å; P49-W52 WeakPolarHBondContact O-CB 3.1Å; P49-W52 PolarHBondContact O-N 3.07Å; P50-W52 PolarHBondContact O-N 3.13Å; W52-W66 WeakPolarHBondContact CA-O 3.19Å; W52-N67 VanDerWaalsContact CD1-ND2 3.26Å; W52-N67 HydrophobicContact CD2-CB 3.84Å; W52-N67 HydrophobicContact CE3-CB 4.07Å; W52-N67 HydrophobicContact CG-CB 4.36Å; W52-N67 HydrophobicContact CH2-CB 4.38Å; W52-N67 HydrophobicContact CZ2-CB 4.11Å; W52-N67 HydrophobicContact CZ3-CB 4.35Å; W52-N67 PolarHBondContact NE1-ND2 2.81Å; W52-L72 HydrophobicContact CH2-CB 4.43Å; W52-A74 HydrophobicContact CH2-CB 4.4Å; W52-A74 HydrophobicContact CZ3-CB 4.2Å; W52-P78 HydrophobicContact CB-CG 4.32Å; W52-P78 HydrophobicContact CD2-CB 3.99Å; W52-P78 HydrophobicContact CD2-CG 3.21Å; W52-P78 HydrophobicContact CE3-CB 4.27Å; W52-P78 HydrophobicContact CE3-CG 3.18Å; W52-P78 HydrophobicContact CG-CG 3.77Å; W52-P78 HydrophobicContact CH2-CB 4.17Å; W52-P78 HydrophobicContact CH2-CG 3.79Å; W52-P78 HydrophobicContact CZ2-CB 3.94Å; W52-P78 HydrophobicContact CZ2-CG 3.86Å; W52-P78 HydrophobicContact CZ3-CB 4.35Å; W52-P78 HydrophobicContact CZ3-CG 3.48Å; W52-P78 VanDerWaalsContact CZ3-CG 3.48Å; W52-I85 HydrophobicContact CH2-CB 4.48Å; W52-I85 HydrophobicContact CH2-CD1 3.91Å; W52-I85 HydrophobicContact CH2-CG1 3.92Å; W52-I85 HydrophobicContact CH2-CG2 3.79Å; W52-I85 HydrophobicContact CZ2-CD1 3.85Å; W52-I85 HydrophobicContact CZ2-CG1 4.37Å; W52-I85 HydrophobicContact CZ2-CG2 4.25Å
53	Y	90.4	Very high	84.1	Confident	76 Å²	76	70.7 Å²	70.7	30%	0.298	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.5	-179.9	-60.3	-92.9	0	0	0	110.1	V38 Y40 Y65 W66 V68	V38-Y53 HydrophobicContact CG1-CD1 4.25Å; Y40-Y53 HydrophobicContact CD1-CD1 4.28Å; Y40-Y53 HydrophobicContact CD1-CE1 4.32Å; Y40-Y53 HydrophobicContact CE1-CD1 4.02Å; Y40-Y53 AromaticContact CE1-CE1 3.98Å; Y40-Y53 HydrophobicContact CE1-CE1 3.98Å; Y53-Y65 CarbonylContact O-C 3.52Å; Y53-Y65 VanDerWaalsContact O-CA 3.26Å; Y53-Y65 WeakPolarHBondContact O-CA 3.43Å; Y53-W66 PolarHBondContact N-O 2.88Å; Y53-W66 PolarHBondContact O-N 3.31Å; Y53-V68 HydrophobicContact CD2-CB 4.33Å; Y53-V68 HydrophobicContact CD2-CG2 3.4Å; Y53-V68 HydrophobicContact CE2-CB 4.05Å; Y53-V68 HydrophobicContact CE2-CG2 3.45Å; Y53-V68 VanDerWaalsContact CE2-CG2 3.45Å; Y53-V68 HydrophobicContact CG-CG2 4.45Å
54	K	91.2	Very high	85.1	Confident	26 Å²	26	72.8 Å²	72.8	11%	0.113	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.9	174.2	-175.6	-177.1	-174	170.8	0	106.6	D39 A42 T43 E46 L48 P63 Y64 Y65	D39-K54 PolarHBondContact N-O 3.04Å; A42-K54 HydrophobicContact CB-CD 3.91Å; T43-K54 HydrophobicContact CG2-CB 3.49Å; T43-K54 VanDerWaalsContact CG2-CB 3.49Å; E46-K54 IonicContact OE1-NZ 3.93Å; E46-K54 PolarHBondContact OE1-NZ 3.09Å; E46-K54 IonicContact OE2-NZ 2.75Å; L48-K54 HydrophobicContact CD1-CB 4.43Å; K54-P63 HydrophobicContact CD-CB 4.28Å; K54-P63 VanDerWaalsContact CE-CB 3.4Å; K54-P63 HydrophobicContact CG-CB 3.92Å; K54-Y64 WeakPolarHBondContact CA-O 3.14Å; K54-Y65 HydrophobicContact CB-CD1 4.23Å; K54-Y65 HydrophobicContact CB-CE1 4.06Å; K54-Y65 HydrophobicContact CD-CE1 4.39Å; K54-Y65 HydrophobicContact CG-CE1 4.09Å
55	V	90.1	Very high	86.3	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.1	-171	-170.3	0	0	0	0	106.9	N37 V38 P63 Y64 W66	N37-V55 HydrophobicContact CB-CG1 4.37Å; N37-V55 WeakPolarHBondContact ND2-CG1 3.4Å; N37-V55 CarbonylContact O-C 3.58Å; N37-V55 WeakPolarHBondContact O-CA 3.38Å; N37-V55 WeakPolarHBondContact O-CG1 3.49Å; V38-V55 HydrophobicContact CG2-CG1 4.23Å; V38-V55 HydrophobicContact CG2-CG2 4.12Å; V55-P63 CarbonylContact O-C 3.41Å; V55-P63 WeakPolarHBondContact O-CA 3.39Å; V55-Y64 HydrophobicContact CB-CD1 4.2Å; V55-Y64 HydrophobicContact CB-CD2 4.23Å; V55-Y64 HydrophobicContact CB-CE1 3.73Å; V55-Y64 HydrophobicContact CB-CE2 3.76Å; V55-Y64 HydrophobicContact CB-CG 4.45Å; V55-Y64 HydrophobicContact CG1-CE1 3.63Å; V55-Y64 HydrophobicContact CG1-CE2 4.07Å; V55-Y64 WeakPolarHBondContact CG1-OH 3.4Å; V55-Y64 HydrophobicContact CG2-CE2 4.28Å; V55-Y64 PolarHBondContact N-O 2.89Å; V55-Y64 WeakPolarHBondContact O-CD1 3.43Å; V55-Y64 WeakPolarHBondContact O-CE1 3.2Å; V55-Y64 PolarHBondContact O-N 3.19Å; V55-Y64 VanDerWaalsContact O-O 3.1Å; V55-W66 HydrophobicContact CG2-CB 4.2Å; V55-W66 HydrophobicContact CG2-CE3 4.37Å
56	F	89.3	Confident	87.3	Confident	63 Å²	63	65.3 Å²	65.3	28%	0.276	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.6	175.1	-73	-78.2	0	0	0	109.3	N37 D39 P58 G61 P63	N37-F56 PolarHBondContact ND2-O 3.17Å; N37-F56 PolarHBondContact O-N 2.87Å; N37-F56 PolarHBondContact OD1-O 2.89Å; D39-F56 HydrophobicContact CB-CD2 3.94Å; D39-F56 HydrophobicContact CB-CE2 3.52Å; F56-P58 WeakPolarHBondContact O-CD 3.19Å; F56-G61 VanDerWaalsContact CD1-O 3.31Å; F56-G61 WeakPolarHBondContact CD1-O 3.33Å; F56-P63 HydrophobicContact CD1-CB 3.95Å; F56-P63 HydrophobicContact CE1-CB 3.68Å; F56-P63 HydrophobicContact CE1-CG 4.01Å; F56-P63 HydrophobicContact CZ-CB 4.24Å
57	D	83.6	Confident	88.1	Confident	38 Å²	38	62.8 Å²	62.8	20%	0.203	34%	0.342	C	S	.	.			trans	-77	123.8	173.1	176.2	2.7	0	0	0	109.5	I59 C60 G61 L62 Y64	D57-I59 PolarHBondContact O-N 2.87Å; D57-I59 WeakPolarHBondContact OD1-CB 3.31Å; D57-I59 PolarHBondContact OD1-N 2.83Å; D57-C60 VanDerWaalsContact CB-SG 3.59Å; D57-C60 PolarHBondContact O-N 3.21Å; D57-C60 PolarHBondContact OD2-SG 3.35Å; D57-G61 VanDerWaalsContact O-CA 3.3Å; D57-G61 WeakPolarHBondContact O-CA 3.18Å; D57-G61 PolarHBondContact O-N 3.14Å; D57-L62 PolarHBondContact N-O 3.25Å; D57-Y64 HydrophobicContact CB-CD1 4.24Å; D57-Y64 HydrophobicContact CB-CE1 4.2Å
58	P	84.3	Confident	88.3	Confident	105 Å²	105	59.3 Å²	59.3	68%	0.682	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.3	178.2	-22.5	29.1	0	0	0	113.7	N37 F56	N37-P58 WeakPolarHBondContact OD1-CD 3.39Å; N37-P58 WeakPolarHBondContact OD1-CG 3.37Å; F56-P58 WeakPolarHBondContact O-CD 3.19Å
59	I	79.6	Confident	88.6	Confident	157 Å²	157	65.4 Å²	65.4	81%	0.805	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-37.5	-173	-57.6	174.1	0	0	0	111	D57	D57-I59 PolarHBondContact O-N 2.87Å; D57-I59 WeakPolarHBondContact OD1-CB 3.31Å; D57-I59 PolarHBondContact OD1-N 2.83Å
60	C	83.9	Confident	88.7	Confident	64 Å²	64	66 Å²	66	43%	0.432	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-7.9	-173	64.2	0	0	0	0	114.7	D57 L62	D57-C60 VanDerWaalsContact CB-SG 3.59Å; D57-C60 PolarHBondContact O-N 3.21Å; D57-C60 PolarHBondContact OD2-SG 3.35Å; C60-L62 HydrophobicContact CB-CD1 4.31Å; C60-L62 HydrophobicContact CB-CG 4.42Å; C60-L62 PolarHBondContact O-N 3.31Å; C60-L62 VanDerWaalsContact O-N 3.14Å
61	G	83.9	Confident	88.8	Confident	48 Å²	48	63.1 Å²	63.1	50%	0.495	34%	0.338	S	S	.	.			trans	63.3	11.1	-176.5	0	0	0	0	0	113.9	F56 D57	F56-G61 VanDerWaalsContact CD1-O 3.31Å; F56-G61 WeakPolarHBondContact CD1-O 3.33Å; D57-G61 VanDerWaalsContact O-CA 3.3Å; D57-G61 WeakPolarHBondContact O-CA 3.18Å; D57-G61 PolarHBondContact O-N 3.14Å
62	L	87.6	Confident	88.9	Confident	102 Å²	102	62.1 Å²	62.1	53%	0.534	33%	0.332	S	S	.	.			trans	-85.8	138.6	178.8	-69.4	167.9	0	0	0	110.1	D57 C60	D57-L62 PolarHBondContact N-O 3.25Å; C60-L62 HydrophobicContact CB-CD1 4.31Å; C60-L62 HydrophobicContact CB-CG 4.42Å; C60-L62 PolarHBondContact O-N 3.31Å; C60-L62 VanDerWaalsContact O-N 3.14Å
63	P	91.4	Very high	89	Confident	40 Å²	40	62.3 Å²	62.3	26%	0.26	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.8	175.3	29.5	-31.8	0	0	0	110.7	K54 V55 F56	K54-P63 HydrophobicContact CD-CB 4.28Å; K54-P63 VanDerWaalsContact CE-CB 3.4Å; K54-P63 HydrophobicContact CG-CB 3.92Å; V55-P63 CarbonylContact O-C 3.41Å; V55-P63 WeakPolarHBondContact O-CA 3.39Å; F56-P63 HydrophobicContact CD1-CB 3.95Å; F56-P63 HydrophobicContact CE1-CB 3.68Å; F56-P63 HydrophobicContact CE1-CG 4.01Å; F56-P63 HydrophobicContact CZ-CB 4.24Å
64	Y	91.1	Very high	89.1	Confident	62 Å²	62	58.8 Å²	58.8	24%	0.243	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.8	165.1	69.1	-86.9	0	0	0	109.1	K54 V55 D57 W66	K54-Y64 WeakPolarHBondContact CA-O 3.14Å; V55-Y64 HydrophobicContact CB-CD1 4.2Å; V55-Y64 HydrophobicContact CB-CD2 4.23Å; V55-Y64 HydrophobicContact CB-CE1 3.73Å; V55-Y64 HydrophobicContact CB-CE2 3.76Å; V55-Y64 HydrophobicContact CB-CG 4.45Å; V55-Y64 HydrophobicContact CG1-CE1 3.63Å; V55-Y64 HydrophobicContact CG1-CE2 4.07Å; V55-Y64 WeakPolarHBondContact CG1-OH 3.4Å; V55-Y64 HydrophobicContact CG2-CE2 4.28Å; V55-Y64 PolarHBondContact N-O 2.89Å; V55-Y64 WeakPolarHBondContact O-CD1 3.43Å; V55-Y64 WeakPolarHBondContact O-CE1 3.2Å; V55-Y64 PolarHBondContact O-N 3.19Å; V55-Y64 VanDerWaalsContact O-O 3.1Å; D57-Y64 HydrophobicContact CB-CD1 4.24Å; D57-Y64 HydrophobicContact CB-CE1 4.2Å; Y64-W66 HydrophobicContact CD2-CB 4.48Å; Y64-W66 HydrophobicContact CE2-CB 4.15Å
65	Y	92.6	Very high	89.2	Confident	20 Å²	20	66.1 Å²	66.1	8%	0.078	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.2	-178.3	-59.6	-94.3	0	0	0	109.2	E46 L48 Y53 K54 V73 A74 L76	E46-Y65 WeakPolarHBondContact OE2-CE1 3.49Å; E46-Y65 PolarHBondContact OE2-OH 2.92Å; E46-Y65 VanDerWaalsContact OE2-OH 3.13Å; L48-Y65 HydrophobicContact CD1-CD1 4.06Å; L48-Y65 HydrophobicContact CD1-CE1 4.12Å; L48-Y65 HydrophobicContact CD2-CD1 3.65Å; L48-Y65 HydrophobicContact CD2-CE1 3.65Å; L48-Y65 HydrophobicContact CG-CE1 4.49Å; Y53-Y65 CarbonylContact O-C 3.52Å; Y53-Y65 VanDerWaalsContact O-CA 3.26Å; Y53-Y65 WeakPolarHBondContact O-CA 3.43Å; K54-Y65 HydrophobicContact CB-CD1 4.23Å; K54-Y65 HydrophobicContact CB-CE1 4.06Å; K54-Y65 HydrophobicContact CD-CE1 4.39Å; K54-Y65 HydrophobicContact CG-CE1 4.09Å; Y65-V73 CarbonylContact O-C 3.51Å; Y65-V73 VanDerWaalsContact O-CA 3.28Å; Y65-V73 WeakPolarHBondContact O-CA 3.5Å; Y65-A74 PolarHBondContact N-O 3.32Å; Y65-A74 PolarHBondContact O-N 2.96Å; Y65-L76 WeakPolarHBondContact CD2-O 3.28Å
66	W	93.1	Very high	89.3	Confident	82 Å²	82	69.5 Å²	69.5	31%	0.311	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.4	179.8	172	41.8	0	0	0	110.2	W52 Y53 V55 Y64 V68 D71 L72 V73	W52-W66 WeakPolarHBondContact CA-O 3.19Å; Y53-W66 PolarHBondContact N-O 2.88Å; Y53-W66 PolarHBondContact O-N 3.31Å; V55-W66 HydrophobicContact CG2-CB 4.2Å; V55-W66 HydrophobicContact CG2-CE3 4.37Å; Y64-W66 HydrophobicContact CD2-CB 4.48Å; Y64-W66 HydrophobicContact CE2-CB 4.15Å; W66-V68 HydrophobicContact CD2-CG2 4.09Å; W66-V68 HydrophobicContact CE3-CG2 3.9Å; W66-V68 HydrophobicContact CH2-CG2 3.84Å; W66-V68 HydrophobicContact CZ2-CB 4.44Å; W66-V68 HydrophobicContact CZ2-CG2 4.01Å; W66-V68 HydrophobicContact CZ3-CG2 3.78Å; W66-D71 PolarHBondContact NE1-OD1 3.16Å; W66-L72 CarbonylContact C-O 3.6Å; W66-L72 WeakPolarHBondContact CA-O 3.44Å; W66-V73 HydrophobicContact CB-CG1 4.44Å; W66-V73 HydrophobicContact CG-CG1 4.47Å
67	N	92.6	Very high	89.3	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.064	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.3	169.8	-172.4	-68	0	0	0	110.1	N51 W52 E69 S70 D71 L72	N51-N67 CarbonylContact O-C 3.58Å; N51-N67 VanDerWaalsContact O-CA 3.24Å; N51-N67 WeakPolarHBondContact O-CA 3.49Å; W52-N67 VanDerWaalsContact CD1-ND2 3.26Å; W52-N67 HydrophobicContact CD2-CB 3.84Å; W52-N67 HydrophobicContact CE3-CB 4.07Å; W52-N67 HydrophobicContact CG-CB 4.36Å; W52-N67 HydrophobicContact CH2-CB 4.38Å; W52-N67 HydrophobicContact CZ2-CB 4.11Å; W52-N67 HydrophobicContact CZ3-CB 4.35Å; W52-N67 PolarHBondContact NE1-ND2 2.81Å; N67-E69 VanDerWaalsContact C-N 3.34Å; N67-E69 PolarHBondContact O-N 3.5Å; N67-E69 PolarHBondContact OD1-N 2.68Å; N67-S70 WeakPolarHBondContact CB-OG 3.49Å; N67-S70 PolarHBondContact OD1-N 2.78Å; N67-S70 PolarHBondContact OD1-OG 3.11Å; N67-D71 VanDerWaalsContact O-CA 3.24Å; N67-D71 WeakPolarHBondContact O-CA 3.48Å; N67-D71 PolarHBondContact O-N 3.23Å; N67-L72 HydrophobicContact CB-CB 4.16Å; N67-L72 PolarHBondContact N-O 2.77Å
68	V	89.8	Confident	89.5	Confident	69 Å²	69	66.2 Å²	66.2	42%	0.418	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.1	-174.7	172.7	0	0	0	0	112.8	N51 Y53 W66	N51-V68 PolarHBondContact O-N 2.77Å; Y53-V68 HydrophobicContact CD2-CB 4.33Å; Y53-V68 HydrophobicContact CD2-CG2 3.4Å; Y53-V68 HydrophobicContact CE2-CB 4.05Å; Y53-V68 HydrophobicContact CE2-CG2 3.45Å; Y53-V68 VanDerWaalsContact CE2-CG2 3.45Å; Y53-V68 HydrophobicContact CG-CG2 4.45Å; W66-V68 HydrophobicContact CD2-CG2 4.09Å; W66-V68 HydrophobicContact CE3-CG2 3.9Å; W66-V68 HydrophobicContact CH2-CG2 3.84Å; W66-V68 HydrophobicContact CZ2-CB 4.44Å; W66-V68 HydrophobicContact CZ2-CG2 4.01Å; W66-V68 HydrophobicContact CZ3-CG2 3.78Å
69	E	91.1	Very high	89.6	Confident	154 Å²	154	65.3 Å²	65.3	72%	0.72	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-40.6	-177.2	-174.6	179	-170.2	0	0	112.2	N51 N67	N51-E69 HydrophobicContact CB-CB 4.18Å; N51-E69 PolarHBondContact ND2-OE2 3.5Å; N67-E69 VanDerWaalsContact C-N 3.34Å; N67-E69 PolarHBondContact O-N 3.5Å; N67-E69 PolarHBondContact OD1-N 2.68Å
70	S	88.3	Confident	90	Very high	59 Å²	59	60.9 Å²	60.9	41%	0.413	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-3.5	-173.3	56.8	0	0	0	0	114.1	N67 L72	N67-S70 WeakPolarHBondContact CB-OG 3.49Å; N67-S70 PolarHBondContact OD1-N 2.78Å; N67-S70 PolarHBondContact OD1-OG 3.11Å; S70-L72 PolarHBondContact O-N 2.7Å; S70-L72 WeakPolarHBondContact OG-CD1 3.05Å; S70-L72 WeakPolarHBondContact OG-CG 3.37Å
71	D	89.1	Confident	90.3	Very high	47 Å²	47	64.2 Å²	64.2	25%	0.251	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	33.3	-173.2	-81	-38.9	0	0	0	114.1	W66 N67 A88 K91	W66-D71 PolarHBondContact NE1-OD1 3.16Å; N67-D71 VanDerWaalsContact O-CA 3.24Å; N67-D71 WeakPolarHBondContact O-CA 3.48Å; N67-D71 PolarHBondContact O-N 3.23Å; D71-A88 PolarHBondContact O-N 3.24Å; D71-A88 VanDerWaalsContact O-N 3.12Å; D71-K91 HydrophobicContact CB-CD 4.5Å; D71-K91 WeakPolarHBondContact OD2-CE 3.26Å; D71-K91 IonicContact OD2-NZ 2.57Å; D71-K91 PolarHBondContact OD2-NZ 2.9Å
72	L	91.9	Very high	90.6	Very high	50 Å²	50	66.7 Å²	66.7	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.5	173.5	-65.1	177	0	0	0	110.2	W52 W66 N67 S70 I85 T86 K87	W52-L72 HydrophobicContact CH2-CB 4.43Å; W66-L72 CarbonylContact C-O 3.6Å; W66-L72 WeakPolarHBondContact CA-O 3.44Å; N67-L72 HydrophobicContact CB-CB 4.16Å; N67-L72 PolarHBondContact N-O 2.77Å; S70-L72 PolarHBondContact O-N 2.7Å; S70-L72 WeakPolarHBondContact OG-CD1 3.05Å; S70-L72 WeakPolarHBondContact OG-CG 3.37Å; L72-I85 HydrophobicContact CB-CG2 3.59Å; L72-I85 HydrophobicContact CD1-CG2 3.73Å; L72-I85 HydrophobicContact CD2-CG2 4.2Å; L72-I85 HydrophobicContact CG-CG2 4.04Å; L72-T86 CarbonylContact C-O 3.56Å; L72-T86 WeakPolarHBondContact CA-O 3.48Å; L72-K87 HydrophobicContact CD2-CG 4.43Å
73	V	93.6	Very high	90.7	Very high	31 Å²	31	63 Å²	63	19%	0.188	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.7	179.7	-62.5	0	0	0	0	110.6	Y65 W66 T86 A88	Y65-V73 CarbonylContact O-C 3.51Å; Y65-V73 VanDerWaalsContact O-CA 3.28Å; Y65-V73 WeakPolarHBondContact O-CA 3.5Å; W66-V73 HydrophobicContact CB-CG1 4.44Å; W66-V73 HydrophobicContact CG-CG1 4.47Å; V73-T86 PolarHBondContact N-O 3.22Å; V73-T86 PolarHBondContact O-N 2.82Å; V73-T86 PolarHBondContact O-OG1 3.21Å; V73-A88 HydrophobicContact CG1-CB 4.15Å
74	A	93.2	Very high	90.7	Very high	3 Å²	3	66.1 Å²	66.1	3%	0.025	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148	177.1	0	0	0	0	0	110.7	W52 Y65 I85	W52-A74 HydrophobicContact CH2-CB 4.4Å; W52-A74 HydrophobicContact CZ3-CB 4.2Å; Y65-A74 PolarHBondContact N-O 3.32Å; Y65-A74 PolarHBondContact O-N 2.96Å; A74-I85 HydrophobicContact CB-CG1 4.27Å
75	W	92.5	Very high	90.7	Very high	180 Å²	180	67 Å²	67	68%	0.682	36%	0.361	S	S	*	.	S	Bend	trans	-85.7	-14.7	176.7	-66.3	106.9	0	0	0	113.5
76	L	92.3	Very high	90.7	Very high	73 Å²	73	69.2 Å²	69.2	38%	0.382	38%	0.377	S	S	.	.	S	Bend	trans	-122.5	164.3	178.1	-63.1	178.1	0	0	0	109.4	Y65 D80 T82 S83	Y65-L76 WeakPolarHBondContact CD2-O 3.28Å; L76-D80 HydrophobicContact CB-CB 4.34Å; L76-T82 WeakPolarHBondContact CD1-OG1 3.44Å; L76-S83 PolarHBondContact O-OG 3.18Å
77	S	89.4	Confident	90.5	Very high	8 Å²	8	70.9 Å²	70.9	6%	0.056	39%	0.386	C	S	.	.			trans	-58	141.3	179.7	179.2	0	0	0	0	109.1	L48 T79 D80 S83	L48-S77 WeakPolarHBondContact CD2-OG 3.5Å; S77-T79 PolarHBondContact O-N 2.77Å; S77-T79 PolarHBondContact OG-N 3.42Å; S77-T79 PolarHBondContact OG-OG1 3.44Å; S77-D80 WeakPolarHBondContact CB-OD2 3.37Å; S77-D80 PolarHBondContact N-OD2 2.71Å; S77-D80 WeakPolarHBondContact O-CB 3.42Å; S77-D80 PolarHBondContact O-N 2.98Å; S77-S83 WeakPolarHBondContact O-CB 3.44Å; S77-S83 PolarHBondContact O-OG 3.44Å
78	P	88.9	Confident	90.2	Very high	25 Å²	25	71.2 Å²	71.2	16%	0.162	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.9	174.6	-22.4	33.8	0	0	0	113.5	L48 P49 W52	L48-P78 HydrophobicContact CD2-CG 4.32Å; P49-P78 HydrophobicContact CG-CB 4.01Å; W52-P78 HydrophobicContact CB-CG 4.32Å; W52-P78 HydrophobicContact CD2-CB 3.99Å; W52-P78 HydrophobicContact CD2-CG 3.21Å; W52-P78 HydrophobicContact CE3-CB 4.27Å; W52-P78 HydrophobicContact CE3-CG 3.18Å; W52-P78 HydrophobicContact CG-CG 3.77Å; W52-P78 HydrophobicContact CH2-CB 4.17Å; W52-P78 HydrophobicContact CH2-CG 3.79Å; W52-P78 HydrophobicContact CZ2-CB 3.94Å; W52-P78 HydrophobicContact CZ2-CG 3.86Å; W52-P78 HydrophobicContact CZ3-CB 4.35Å; W52-P78 HydrophobicContact CZ3-CG 3.48Å; W52-P78 VanDerWaalsContact CZ3-CG 3.48Å
79	T	86.8	Confident	89.4	Confident	85 Å²	85	71.7 Å²	71.7	52%	0.521	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.2	175.6	58	0	0	0	0	113.1	P49 S77	P49-T79 HydrophobicContact CG-CG2 4.41Å; S77-T79 PolarHBondContact O-N 2.77Å; S77-T79 PolarHBondContact OG-N 3.42Å; S77-T79 PolarHBondContact OG-OG1 3.44Å
80	D	86.9	Confident	88.3	Confident	65 Å²	65	74.1 Å²	74.1	35%	0.348	41%	0.41	S	S	.	.	S	Bend	trans	-77.3	136.4	-178.2	-67.5	-38.2	0	0	0	111	L76 S77 T82 S83	L76-D80 HydrophobicContact CB-CB 4.34Å; S77-D80 WeakPolarHBondContact CB-OD2 3.37Å; S77-D80 PolarHBondContact N-OD2 2.71Å; S77-D80 WeakPolarHBondContact O-CB 3.42Å; S77-D80 PolarHBondContact O-N 2.98Å; D80-T82 PolarHBondContact O-N 2.99Å; D80-T82 VanDerWaalsContact O-N 3.17Å; D80-S83 WeakPolarHBondContact O-CB 3.21Å; D80-S83 PolarHBondContact O-N 2.75Å
81	P	89.8	Confident	86.9	Confident	134 Å²	134	76.9 Å²	76.9	87%	0.87	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.3	-176.9	27.6	-35.4	0	0	0	113.4
82	T	90.3	Very high	85.4	Confident	100 Å²	100	77.1 Å²	77.1	61%	0.613	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	4.2	178.1	52.2	0	0	0	0	112.7	L76 D80 V84	L76-T82 WeakPolarHBondContact CD1-OG1 3.44Å; D80-T82 PolarHBondContact O-N 2.99Å; D80-T82 VanDerWaalsContact O-N 3.17Å; T82-V84 PolarHBondContact O-N 2.79Å
83	S	90.1	Very high	83.5	Confident	24 Å²	24	85.5 Å²	85.5	17%	0.168	45%	0.448	C	S	.	.			trans	-70.2	125	-177.9	-167.2	0	0	0	0	111.6	L76 S77 D80	L76-S83 PolarHBondContact O-OG 3.18Å; S77-S83 WeakPolarHBondContact O-CB 3.44Å; S77-S83 PolarHBondContact O-OG 3.44Å; D80-S83 WeakPolarHBondContact O-CB 3.21Å; D80-S83 PolarHBondContact O-N 2.75Å
84	V	91.2	Very high	81.7	Confident	105 Å²	105	87.3 Å²	87.3	64%	0.636	47%	0.466	S	S	*	.			trans	-105.5	105.2	175.4	-175.2	0	0	0	0	108.4	T82 T86	T82-V84 PolarHBondContact O-N 2.79Å; V84-T86 HydrophobicContact CG1-CG2 3.94Å
85	I	91.8	Very high	79.5	Confident	80 Å²	80	92.6 Å²	92.6	41%	0.41	49%	0.491	S	S	.	.			trans	-87.4	122.2	-179.6	-56.3	172.5	0	0	0	108.9	W52 L72 A74	W52-I85 HydrophobicContact CH2-CB 4.48Å; W52-I85 HydrophobicContact CH2-CD1 3.91Å; W52-I85 HydrophobicContact CH2-CG1 3.92Å; W52-I85 HydrophobicContact CH2-CG2 3.79Å; W52-I85 HydrophobicContact CZ2-CD1 3.85Å; W52-I85 HydrophobicContact CZ2-CG1 4.37Å; W52-I85 HydrophobicContact CZ2-CG2 4.25Å; L72-I85 HydrophobicContact CB-CG2 3.59Å; L72-I85 HydrophobicContact CD1-CG2 3.73Å; L72-I85 HydrophobicContact CD2-CG2 4.2Å; L72-I85 HydrophobicContact CG-CG2 4.04Å; A74-I85 HydrophobicContact CB-CG1 4.27Å
86	T	92.1	Very high	77.4	Confident	68 Å²	68	90 Å²	90	42%	0.417	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.5	-176.1	60.6	0	0	0	0	111.6	L72 V73 V84	L72-T86 CarbonylContact C-O 3.56Å; L72-T86 WeakPolarHBondContact CA-O 3.48Å; V73-T86 PolarHBondContact N-O 3.22Å; V73-T86 PolarHBondContact O-N 2.82Å; V73-T86 PolarHBondContact O-OG1 3.21Å; V84-T86 HydrophobicContact CG1-CG2 3.94Å
87	K	89.4	Confident	75.3	Confident	116 Å²	116	89.5 Å²	89.5	50%	0.504	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.9	170	-69	-174.7	178.1	-175.7	0	109.6	L72 A89 E95	L72-K87 HydrophobicContact CD2-CG 4.43Å; K87-A89 PolarHBondContact O-N 2.87Å; K87-E95 IonicContact NZ-OE1 3.69Å; K87-E95 IonicContact NZ-OE2 2.67Å; K87-E95 PolarHBondContact NZ-OE2 3.24Å
88	A	85.4	Confident	73.2	Confident	20 Å²	20	96.6 Å²	96.6	17%	0.165	54%	0.539	C	S	.	.			trans	-51.1	133.3	174.7	0	0	0	0	0	112.2	D71 V73 K90 K91 S92	D71-A88 PolarHBondContact O-N 3.24Å; D71-A88 VanDerWaalsContact O-N 3.12Å; V73-A88 HydrophobicContact CG1-CB 4.15Å; A88-K90 PolarHBondContact O-N 3.06Å; A88-K91 PolarHBondContact O-N 3.37Å; A88-S92 PolarHBondContact O-N 2.79Å
89	A	72.7	Confident	71.1	Confident	79 Å²	79	103 Å²	103	65%	0.653	57%	0.572	S	S	*	*	H	α-helix	trans	-58.4	-25.9	-175.3	0	0	0	0	0	113.9	K87 K91 S92	K87-A89 PolarHBondContact O-N 2.87Å; A89-K91 PolarHBondContact O-N 3.21Å; A89-S92 PolarHBondContact O-OG 3.11Å
90	K	69.6	Low	69	Low	205 Å²	205	110.7 Å²	110.7	89%	0.891	59%	0.591	S	S	*	*	H	α-helix	trans	-62.1	-29.9	174	-68.1	-178.1	179.4	176.2	0	112.5	A88	A88-K90 PolarHBondContact O-N 3.06Å
91	K	58.8	Low	66.9	Low	116 Å²	116	110.6 Å²	110.6	50%	0.504	61%	0.605	S	S	.	*	H	α-helix	trans	-98.4	-28.6	-177.9	-68.3	-176.6	173.7	-175.5	0	113.6	D71 A88 A89 R93 A94	D71-K91 HydrophobicContact CB-CD 4.5Å; D71-K91 WeakPolarHBondContact OD2-CE 3.26Å; D71-K91 IonicContact OD2-NZ 2.57Å; D71-K91 PolarHBondContact OD2-NZ 2.9Å; A88-K91 PolarHBondContact O-N 3.37Å; A89-K91 PolarHBondContact O-N 3.21Å; K91-R93 PolarHBondContact O-N 3.38Å; K91-A94 PolarHBondContact O-N 3.08Å; K91-A94 VanDerWaalsContact O-N 3.15Å
92	S	55.9	Low	64.5	Low	52 Å²	52	113.2 Å²	113.2	36%	0.364	61%	0.606	S	S	.	*	H	α-helix	trans	-65.8	-23.3	179.6	65.3	0	0	0	0	113.7	A88 A89 A94 V96	A88-S92 PolarHBondContact O-N 2.79Å; A89-S92 PolarHBondContact O-OG 3.11Å; S92-A94 VanDerWaalsContact C-N 3.27Å; S92-A94 PolarHBondContact O-N 3.24Å; S92-V96 WeakPolarHBondContact O-CG2 3.3Å
93	R	53.9	Low	62.1	Low	227 Å²	227	119.5 Å²	119.5	86%	0.857	62%	0.618	S	S	*	*	H	α-helix	trans	-70.1	-21.7	175.9	-165	170.6	-177.1	-105	0.9	113.5	K91	K91-R93 PolarHBondContact O-N 3.38Å
94	A	54.3	Low	59.8	Low	68 Å²	68	127.7 Å²	127.7	56%	0.562	65%	0.654	S	S	*	*	H	α-helix	trans	-83.7	-43.7	178.9	0	0	0	0	0	112	K91 S92 G97	K91-A94 PolarHBondContact O-N 3.08Å; K91-A94 VanDerWaalsContact O-N 3.15Å; S92-A94 VanDerWaalsContact C-N 3.27Å; S92-A94 PolarHBondContact O-N 3.24Å; A94-G97 PolarHBondContact O-N 3.16Å
95	E	47.4	Very low	57.5	Low	115 Å²	115	130.1 Å²	130.1	54%	0.537	66%	0.662	S	S	.	*	H	α-helix	trans	-80.4	-21.5	-172	-64.9	-151.9	166	0	0	115.5	K87 G97 E98	K87-E95 IonicContact NZ-OE1 3.69Å; K87-E95 IonicContact NZ-OE2 2.67Å; K87-E95 PolarHBondContact NZ-OE2 3.24Å; E95-G97 PolarHBondContact O-N 3.26Å; E95-G97 VanDerWaalsContact O-N 3.15Å; E95-E98 PolarHBondContact O-N 2.85Å
96	V	49.1	Very low	54.9	Low	126 Å²	126	134.8 Å²	134.8	76%	0.764	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-10.2	173.9	177.3	0	0	0	0	111.9	S92	S92-V96 WeakPolarHBondContact O-CG2 3.3Å
97	G	46.9	Very low	52.4	Low	61 Å²	61	141.5 Å²	141.5	63%	0.629	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-21.4	175.7	0	0	0	0	0	115.6	A94 E95	A94-G97 PolarHBondContact O-N 3.16Å; E95-G97 PolarHBondContact O-N 3.26Å; E95-G97 VanDerWaalsContact O-N 3.15Å
98	E	45.7	Very low	49.9	Very low	157 Å²	157	141.4 Å²	141.4	73%	0.734	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-28.8	-169.3	-75.5	179.1	131.7	0	0	114.1	E95 R100 G101	E95-E98 PolarHBondContact O-N 2.85Å; E98-R100 PolarHBondContact O-N 3.4Å; E98-G101 PolarHBondContact O-N 2.93Å
99	D	44.3	Very low	47.8	Very low	161 Å²	161	148.1 Å²	148.1	86%	0.861	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	3.5	-176.6	-166.7	49.1	0	0	0	114.9
100	R	43.8	Very low	46.5	Very low	246 Å²	246	154.5 Å²	154.5	93%	0.928	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	12.9	174.4	-143.2	179.1	-173.6	159.9	4.4	113.5	E98	E98-R100 PolarHBondContact O-N 3.4Å
101	G	41.5	Very low	45	Very low	62 Å²	62	153.3 Å²	153.3	64%	0.639	75%	0.754	S	S	*	*	S	Bend	trans	-107.4	-16.2	-173.2	0	0	0	0	0	116.9	E98	E98-G101 PolarHBondContact O-N 2.93Å
102	E	39.8	Very low	44.3	Very low	190 Å²	190	159.6 Å²	159.6	89%	0.888	78%	0.775	S	S	*	*			trans	-114.2	73.6	-172.6	-63.8	-164.5	164.4	0	0	112.7
103	R	39.9	Very low	43.4	Very low	232 Å²	232	164.9 Å²	164.9	88%	0.875	79%	0.794	S	S	*	*			trans	-118.5	107.4	150.8	-72.2	-173.3	-154.7	-176	5	108.1	I105	R103-I105 PolarHBondContact O-N 3.14Å; R103-I105 VanDerWaalsContact O-N 3.13Å
104	Q	42.4	Very low	42.7	Very low	196 Å²	196	165 Å²	165	92%	0.916	79%	0.794	S	S	*	*			trans	-44.8	113.4	166.1	-66.4	170	-8.2	0	0	109.7
105	I	42.3	Very low	42	Very low	155 Å²	155	171.3 Å²	171.3	80%	0.795	81%	0.812	S	S	*	*			trans	-121.6	105.9	161.1	-70	171.4	0	0	0	104.7	R103 K107	R103-I105 PolarHBondContact O-N 3.14Å; R103-I105 VanDerWaalsContact O-N 3.13Å; I105-K107 PolarHBondContact O-N 3.02Å
106	E	37.9	Very low	41.9	Very low	179 Å²	179	176.5 Å²	176.5	84%	0.836	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-50.7	131.5	172.8	-70.1	-177	152.7	0	0	110	P108	E106-P108 VanDerWaalsContact O-CD 3.3Å; E106-P108 WeakPolarHBondContact O-CD 3.31Å
107	K	38.7	Very low	41.5	Very low	209 Å²	209	178.5 Å²	178.5	91%	0.909	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-80.3	120.8	171.3	-65.2	178.5	175.3	-180	0	108.5	I105	I105-K107 PolarHBondContact O-N 3.02Å
108	P	37.4	Very low	41.4	Very low	113 Å²	113	185.1 Å²	185.1	73%	0.734	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-91.2	137	155.7	31.2	-24.7	0	0	0	110.2	E106 R110	E106-P108 VanDerWaalsContact O-CD 3.3Å; E106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-R110 PolarHBondContact O-N 3.29Å
109	D	41.8	Very low	41.3	Very low	161 Å²	161	185.2 Å²	185.2	86%	0.861	85%	0.85	S	S	*	*			trans	-42.6	114.4	175	-73	-55.6	0	0	0	113.5
110	R	45.6	Very low	41.1	Very low	213 Å²	213	189.3 Å²	189.3	80%	0.804	85%	0.853	S	S	*	*			trans	-126.9	32.3	172.1	-127.2	-178	-173.4	161.5	3.4	112.4	P108	P108-R110 PolarHBondContact O-N 3.29Å
111	E	38.3	Very low	41	Very low	180 Å²	180	186.1 Å²	186.1	84%	0.841	85%	0.849	S	S	*	*			trans	-90.4	1.9	178	-87.9	-173.5	168.5	0	0	114.5
112	R	43	Very low	41.2	Very low	249 Å²	249	188.7 Å²	188.7	94%	0.94	86%	0.855	S	S	*	*	S	Bend	trans	-107.2	9.8	-174.5	-137.4	173.7	-171	173.2	3	117.6
113	E	36.5	Very low	41.1	Very low	162 Å²	162	189 Å²	189	76%	0.757	86%	0.856	S	S	*	*	S	Bend	trans	-115.2	8.2	-178.4	-81.9	-174.8	160	0	0	115.4
114	R	40.7	Very low	41.2	Very low	231 Å²	231	185.2 Å²	185.2	87%	0.872	85%	0.85	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	6.1	-176.5	-81.7	-173.4	179.5	134	-0.3	116.6
115	E	39.9	Very low	41	Very low	199 Å²	199	184.8 Å²	184.8	93%	0.93	85%	0.848	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	2.7	-176.7	-84.5	-164.9	163.4	0	0	116.5
116	R	43.9	Very low	40.9	Very low	224 Å²	224	189.3 Å²	189.3	85%	0.845	86%	0.855	S	S	*	*	S	Bend	trans	-127.4	18.4	-169.2	-139.3	178.5	-161.4	-108.8	-1.4	119.7
117	D	40.1	Very low	40.9	Very low	169 Å²	169	187.1 Å²	187.1	90%	0.904	85%	0.845	S	S	*	*			trans	-137.8	57.4	174.8	-76.4	-48.6	0	0	0	112.9
118	K	46	Very low	41.1	Very low	199 Å²	199	187.8 Å²	187.8	87%	0.865	84%	0.842	S	S	*	*			trans	-102.1	12.2	178.2	-134.6	179.3	-174	-179.9	0	115.1
119	D	43.6	Very low	41.4	Very low	160 Å²	160	185.9 Å²	185.9	86%	0.856	84%	0.842	S	S	*	*	S	Bend	trans	-126.5	39.1	-171.3	-65.8	-36	0	0	0	115.4
120	R	40.6	Very low	41.6	Very low	246 Å²	246	188.3 Å²	188.3	93%	0.928	84%	0.839	S	S	*	*			trans	-151.6	76.5	170.2	-144.1	170.4	-174.1	167.7	0.4	115.2
121	E	40.3	Very low	41.6	Very low	180 Å²	180	182.7 Å²	182.7	84%	0.841	83%	0.826	S	S	*	*			trans	-81.9	165.6	147.7	-73.7	-162.2	170.8	0	0	109.4
122	P	46.9	Very low	42.3	Very low	116 Å²	116	179.2 Å²	179.2	75%	0.753	81%	0.813	S	S	*	*			cis	-139.2	119.6	-13	28.8	-6.2	0	0	0	113.2
123	E	37.6	Very low	42.8	Very low	196 Å²	196	169.3 Å²	169.3	92%	0.916	79%	0.788	S	S	*	*			trans	-155.7	40.4	170.4	-146.9	-179.6	-173.4	0	0	115.8
124	M	40.7	Very low	43.7	Very low	153 Å²	153	169 Å²	169	75%	0.754	78%	0.78	S	S	*	*			trans	-130.8	27.9	-179.6	-76.2	-172.8	-178.9	0	0	115	R126	M124-R126 VanDerWaalsContact C-N 3.32Å
125	E	39.5	Very low	44.4	Very low	187 Å²	187	163.6 Å²	163.6	87%	0.874	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-16.1	171.8	-162.2	168.4	-156	0	0	112.9
126	R	40.3	Very low	45.1	Very low	249 Å²	249	162.4 Å²	162.4	94%	0.94	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-2.5	-177.8	-75.5	-174.5	171	94.6	1.7	115.8	M124	M124-R126 VanDerWaalsContact C-N 3.32Å
127	E	38.3	Very low	45.7	Very low	133 Å²	133	156.7 Å²	156.7	62%	0.621	74%	0.737	S	S	*	*	S	Bend	trans	-99.8	-13.3	-177	-107.2	-171.9	169	0	0	115.6	G129 R130	E127-G129 PolarHBondContact O-N 3.18Å; E127-R130 PolarHBondContact O-N 3.14Å
128	R	42.7	Very low	46.6	Very low	224 Å²	224	156.5 Å²	156.5	85%	0.845	72%	0.724	S	S	*	*	H	α-helix	trans	-63.6	-22	-179.7	-85.1	-178	173	171	-1.3	114.4	R130	R128-R130 PolarHBondContact O-N 2.93Å
129	G	43.9	Very low	47.3	Very low	72 Å²	72	156.2 Å²	156.2	74%	0.742	72%	0.718	S	S	*	*	H	α-helix	trans	-75.7	-18.2	-178.8	0	0	0	0	0	115.4	E127	E127-G129 PolarHBondContact O-N 3.18Å
130	R	46	Very low	47.7	Very low	212 Å²	212	154 Å²	154	80%	0.8	70%	0.704	S	S	*	*	H	α-helix	trans	-99.7	-12.2	-177.2	-73	-174.9	177.6	-178.9	-0.6	114.4	E127 R128	E127-R130 PolarHBondContact O-N 3.14Å; R128-R130 PolarHBondContact O-N 2.93Å
131	N	45.3	Very low	48.5	Very low	96 Å²	96	147.7 Å²	147.7	51%	0.513	68%	0.684	S	S	.	*	H	α-helix	trans	-91.4	-29.8	-174.8	-153.4	-17.9	0	0	0	113.1	G133 R134 E135	N131-G133 VanDerWaalsContact C-N 3.29Å; N131-G133 PolarHBondContact O-N 3.2Å; N131-R134 PolarHBondContact O-N 3.48Å; N131-R134 VanDerWaalsContact O-N 3.13Å; N131-E135 PolarHBondContact O-N 3.24Å; N131-E135 VanDerWaalsContact O-N 3.16Å
132	D	52.8	Low	49.3	Very low	107 Å²	107	149 Å²	149	57%	0.572	68%	0.682	S	S	*	*	H	α-helix	trans	-61.3	-35	179.6	-171.5	60.3	0	0	0	113.1	R136	D132-R136 WeakPolarHBondContact O-CB 3.08Å; D132-R136 PolarHBondContact O-N 3.25Å; D132-R136 VanDerWaalsContact O-N 3.13Å
133	G	53.5	Low	49.6	Very low	40 Å²	40	153.5 Å²	153.5	41%	0.412	68%	0.684	S	S	.	*	H	α-helix	trans	-65.5	-40.3	175.2	0	0	0	0	0	113.1	N131 D137	N131-G133 VanDerWaalsContact C-N 3.29Å; N131-G133 PolarHBondContact O-N 3.2Å; G133-D137 WeakPolarHBondContact O-CB 3.33Å; G133-D137 PolarHBondContact O-N 3.36Å
134	R	54.3	Low	50.4	Low	157 Å²	157	149.1 Å²	149.1	59%	0.592	66%	0.663	S	S	*	*	H	α-helix	trans	-74.4	-31.8	-177.3	-66.4	-179.7	-179.3	174.4	-0.1	112.4	N131 R138	N131-R134 PolarHBondContact O-N 3.48Å; N131-R134 VanDerWaalsContact O-N 3.13Å; R134-R138 WeakPolarHBondContact O-CB 3.14Å; R134-R138 VanDerWaalsContact O-CG 3.22Å; R134-R138 WeakPolarHBondContact O-CG 3.36Å; R134-R138 PolarHBondContact O-N 3.27Å; R134-R138 VanDerWaalsContact O-N 3.07Å
135	E	55.4	Low	51.1	Low	117 Å²	117	148.1 Å²	148.1	55%	0.547	66%	0.661	S	S	.	*	H	α-helix	trans	-76	-37.5	176.8	-160.6	171.1	-161.9	0	0	111.7	N131 R138 R139	N131-E135 PolarHBondContact O-N 3.24Å; N131-E135 VanDerWaalsContact O-N 3.16Å; E135-R138 PolarHBondContact O-N 3.06Å; E135-R139 WeakPolarHBondContact O-CB 3.19Å; E135-R139 PolarHBondContact O-N 3.14Å
136	R	55.1	Low	51.8	Low	174 Å²	174	148.4 Å²	148.4	66%	0.657	66%	0.659	S	S	*	*	H	α-helix	trans	-65.6	-42.2	172.1	-168.2	179.3	-119.1	176.2	1	112.2	D132 R139 M140	D132-R136 WeakPolarHBondContact O-CB 3.08Å; D132-R136 PolarHBondContact O-N 3.25Å; D132-R136 VanDerWaalsContact O-N 3.13Å; R136-R139 PolarHBondContact O-N 2.73Å; R136-M140 PolarHBondContact O-N 2.67Å
137	D	56.3	Low	52.4	Low	103 Å²	103	138.8 Å²	138.8	55%	0.551	63%	0.633	S	S	*	*	H	α-helix	trans	-63.8	-44.2	175	-81.2	-14.1	0	0	0	111.6	G133 R139 M140 Q141	G133-D137 WeakPolarHBondContact O-CB 3.33Å; G133-D137 PolarHBondContact O-N 3.36Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 2.97Å; D137-M140 PolarHBondContact O-N 3.22Å; D137-Q141 WeakPolarHBondContact O-CB 3.21Å; D137-Q141 PolarHBondContact O-N 2.91Å
138	R	59.8	Low	53.3	Low	165 Å²	165	139.3 Å²	139.3	62%	0.623	65%	0.648	S	S	*	*	H	α-helix	trans	-63.9	-35	175.4	-73.9	174.3	-168.6	142	-2.2	112.9	R134 E135 R142	R134-R138 WeakPolarHBondContact O-CB 3.14Å; R134-R138 VanDerWaalsContact O-CG 3.22Å; R134-R138 WeakPolarHBondContact O-CG 3.36Å; R134-R138 PolarHBondContact O-N 3.27Å; R134-R138 VanDerWaalsContact O-N 3.07Å; E135-R138 PolarHBondContact O-N 3.06Å; R138-R142 WeakPolarHBondContact O-CB 3.2Å; R138-R142 PolarHBondContact O-N 3.16Å; R138-R142 VanDerWaalsContact O-N 3.16Å
139	R	59.7	Low	53.4	Low	194 Å²	194	137.2 Å²	137.2	73%	0.732	64%	0.641	S	S	*	*	H	α-helix	trans	-69.8	-37.3	173.5	-93.4	-176.4	175.7	-176.6	1.1	112.6	E135 R136 D137 R143	E135-R139 WeakPolarHBondContact O-CB 3.19Å; E135-R139 PolarHBondContact O-N 3.14Å; R136-R139 PolarHBondContact O-N 2.73Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 2.97Å; R139-R143 PolarHBondContact O-N 3.13Å
140	M	53.1	Low	54.1	Low	114 Å²	114	137.3 Å²	137.3	56%	0.562	63%	0.631	S	S	*	*	H	α-helix	trans	-65.8	-48.4	173.5	-83.8	-77.9	-158.8	0	0	111.1	R136 D137 R142 R143 E144	R136-M140 PolarHBondContact O-N 2.67Å; D137-M140 PolarHBondContact O-N 3.22Å; M140-R142 PolarHBondContact O-N 3Å; M140-R143 PolarHBondContact O-N 2.83Å; M140-E144 PolarHBondContact O-N 3.39Å; M140-E144 VanDerWaalsContact O-N 3.11Å
141	Q	57.1	Low	54.4	Low	112 Å²	112	134.9 Å²	134.9	52%	0.523	63%	0.626	S	S	.	*	H	α-helix	trans	-57.9	-45.9	179.6	-141.9	84.4	32.5	0	0	111.8	D137 R143 E144 D145	D137-Q141 WeakPolarHBondContact O-CB 3.21Å; D137-Q141 PolarHBondContact O-N 2.91Å; Q141-R143 PolarHBondContact O-N 3.05Å; Q141-E144 PolarHBondContact O-N 3.05Å; Q141-D145 PolarHBondContact O-N 3.17Å; Q141-D145 VanDerWaalsContact O-N 3.08Å
142	R	56.5	Low	54.7	Low	209 Å²	209	137 Å²	137	79%	0.789	64%	0.638	S	S	*	*	H	α-helix	trans	-67.8	-20.3	179.8	-154.2	-176.5	-144.4	-104.3	4.6	113.5	R138 M140	R138-R142 WeakPolarHBondContact O-CB 3.2Å; R138-R142 PolarHBondContact O-N 3.16Å; R138-R142 VanDerWaalsContact O-N 3.16Å; M140-R142 PolarHBondContact O-N 3Å
143	R	54.3	Low	55	Low	210 Å²	210	140.9 Å²	140.9	79%	0.792	65%	0.649	S	S	*	*	H	α-helix	trans	-87.1	-29.3	177.4	-165.7	173.8	-168.5	-107.5	1.1	111.9	R139 M140 Q141	R139-R143 PolarHBondContact O-N 3.13Å; M140-R143 PolarHBondContact O-N 2.83Å; Q141-R143 PolarHBondContact O-N 3.05Å
144	E	53.1	Low	54.9	Low	104 Å²	104	151 Å²	151	49%	0.486	68%	0.675	S	S	.	*	H	α-helix	trans	-79.5	-35.5	175.6	-76.3	-176.5	165.4	0	0	112.7	M140 Q141 F146 A147	M140-E144 PolarHBondContact O-N 3.39Å; M140-E144 VanDerWaalsContact O-N 3.11Å; Q141-E144 PolarHBondContact O-N 3.05Å; E144-F146 VanDerWaalsContact C-N 3.26Å; E144-F146 PolarHBondContact O-N 3.41Å; E144-A147 PolarHBondContact O-N 2.82Å
145	D	55.8	Low	54.8	Low	131 Å²	131	147.1 Å²	147.1	70%	0.701	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-16.6	-177.2	-73.1	-26.7	0	0	0	114.6	Q141	Q141-D145 PolarHBondContact O-N 3.17Å; Q141-D145 VanDerWaalsContact O-N 3.08Å
146	F	54.4	Low	54.7	Low	193 Å²	193	151.8 Å²	151.8	85%	0.846	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	1.8	-178.2	-131.6	-90.5	0	0	0	114.1	E144	E144-F146 VanDerWaalsContact C-N 3.26Å; E144-F146 PolarHBondContact O-N 3.41Å
147	A	53.3	Low	54.8	Low	47 Å²	47	152.6 Å²	152.6	39%	0.388	71%	0.705	S	S	.	*			trans	-94.6	120.3	175.4	0	0	0	0	0	109.1	E144 Y149	E144-A147 PolarHBondContact O-N 2.82Å; A147-Y149 PolarHBondContact O-N 3.43Å
148	P	56.3	Low	54.9	Low	144 Å²	144	155 Å²	155	94%	0.935	72%	0.718	S	S	*	*	S	Bend	trans	-67	9.9	-179.9	26.4	-33.2	0	0	0	114.3
149	Y	46	Very low	55	Low	180 Å²	180	156.4 Å²	156.4	71%	0.706	73%	0.731	S	S	*	*			trans	-141.9	78	174.7	-158.2	-89.1	0	0	0	109.7	A147 K151	A147-Y149 PolarHBondContact O-N 3.43Å; Y149-K151 HydrophobicContact CD1-CG 3.75Å; Y149-K151 HydrophobicContact CE1-CD 4.15Å; Y149-K151 VanDerWaalsContact CE1-CE 3.45Å; Y149-K151 HydrophobicContact CE1-CG 3.53Å; Y149-K151 PolarHBondContact O-N 3Å; Y149-K151 VanDerWaalsContact O-N 3.17Å
150	S	57.7	Low	55.3	Low	75 Å²	75	154.3 Å²	154.3	52%	0.524	73%	0.73	S	S	.	*			trans	-68	107.3	170.1	177.4	0	0	0	0	109.4	N152	S150-N152 VanDerWaalsContact C-N 3.31Å; S150-N152 PolarHBondContact O-N 3.37Å; S150-N152 VanDerWaalsContact O-N 3.12Å
151	K	53.3	Low	56	Low	161 Å²	161	153 Å²	153	70%	0.7	72%	0.723	S	S	*	*			trans	-81.6	78.9	168.9	-82.9	-170.8	-178.3	173.7	0	109.6	Y149 K153	Y149-K151 HydrophobicContact CD1-CG 3.75Å; Y149-K151 HydrophobicContact CE1-CD 4.15Å; Y149-K151 VanDerWaalsContact CE1-CE 3.45Å; Y149-K151 HydrophobicContact CE1-CG 3.53Å; Y149-K151 PolarHBondContact O-N 3Å; Y149-K151 VanDerWaalsContact O-N 3.17Å; K151-K153 PolarHBondContact O-N 3.14Å
152	N	50	Low	56.9	Low	141 Å²	141	152.1 Å²	152.1	75%	0.754	72%	0.722	S	S	*	*			trans	-68.7	83	153.6	-83.6	14.2	0	0	0	108.8	S150 R154	S150-N152 VanDerWaalsContact C-N 3.31Å; S150-N152 PolarHBondContact O-N 3.37Å; S150-N152 VanDerWaalsContact O-N 3.12Å; N152-R154 PolarHBondContact O-N 2.84Å
153	K	59.4	Low	58	Low	187 Å²	187	146.1 Å²	146.1	81%	0.813	71%	0.71	S	S	*	*			trans	-82.5	91.3	175.7	-168.2	-178.8	-169.1	-179.9	0	108.9	K151	K151-K153 PolarHBondContact O-N 3.14Å
154	R	52.6	Low	59.1	Low	253 Å²	253	143.7 Å²	143.7	96%	0.955	71%	0.71	S	S	*	*	S	Bend	trans	-163	86.8	153.7	-98.9	161.8	-156.5	166.5	5.4	108.7	N152	N152-R154 PolarHBondContact O-N 2.84Å
155	G	52.4	Low	60.2	Low	75 Å²	75	141.3 Å²	141.3	77%	0.773	70%	0.7	S	S	*	*	S	Bend	trans	119.5	16.6	150.7	0	0	0	0	0	121.2
156	R	53	Low	61.3	Low	215 Å²	215	139.6 Å²	139.6	81%	0.811	70%	0.696	S	S	*	*			trans	-112.3	79.7	161.2	-77.4	-150.8	-172.2	-158.8	-1.1	109.5	E160	R156-E160 IonicContact CZ-OE2 3.87Å; R156-E160 IonicContact NH1-OE2 2.79Å; R156-E160 PolarHBondContact NH1-OE2 3.34Å
157	K	56.2	Low	62.3	Low	192 Å²	192	131.6 Å²	131.6	84%	0.835	66%	0.664	S	S	*	*			trans	-99.6	-9.9	-170.1	-148.5	179.6	173.7	-168.3	0	114.8
158	D	59.9	Low	63.4	Low	154 Å²	154	131.2 Å²	131.2	82%	0.824	66%	0.661	S	S	*	*	S	Bend	trans	-137.1	-1.7	-171.2	-68.2	-53	0	0	0	118.2
159	E	61.4	Low	64.1	Low	194 Å²	194	132.5 Å²	132.5	91%	0.907	65%	0.649	S	S	*	*	S	Bend	trans	-133.8	8.1	-168.1	-77.4	-173.3	175.6	0	0	118.7
160	E	65.3	Low	65.5	Low	150 Å²	150	126.7 Å²	126.7	70%	0.701	63%	0.634	S	S	*	*			trans	-136.8	67	175.8	-154	161.5	-161.7	0	0	109.4	R156	R156-E160 IonicContact CZ-OE2 3.87Å; R156-E160 IonicContact NH1-OE2 2.79Å; R156-E160 PolarHBondContact NH1-OE2 3.34Å
161	M	67.3	Low	66.4	Low	86 Å²	86	131.3 Å²	131.3	42%	0.424	65%	0.653	S	S	.	*			trans	-70.4	131.1	172	-158.2	69.8	-147.8	0	0	107.9	P163 D165 S167 A168	M161-P163 WeakPolarHBondContact O-CD 3.16Å; M161-P163 VanDerWaalsContact O-N 3.14Å; M161-D165 HydrophobicContact CE-CB 3.61Å; M161-D165 WeakPolarHBondContact CE-OD2 3.35Å; M161-S167 WeakPolarHBondContact CE-OG 3.35Å; M161-A168 HydrophobicContact CB-CB 4.09Å; M161-A168 HydrophobicContact CG-CB 3.32Å
162	D	76.2	Confident	67.5	Low	93 Å²	93	125.7 Å²	125.7	50%	0.497	64%	0.637	S	S	.	*			trans	-55.6	120.7	174.6	-179.6	-14.3	0	0	0	108.2	M164 D165 A168	D162-M164 PolarHBondContact O-N 3.17Å; D162-M164 PolarHBondContact OD1-N 2.97Å; D162-D165 HydrophobicContact CB-CB 3.98Å; D162-D165 PolarHBondContact O-N 3.12Å; D162-A168 VanDerWaalsContact O-CB 3.3Å; D162-A168 WeakPolarHBondContact O-CB 3.04Å
163	P	79.5	Confident	68.4	Low	83 Å²	83	125 Å²	125	54%	0.539	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68	14.9	177.6	30	-35.4	0	0	0	113	M161 Y169	M161-P163 WeakPolarHBondContact O-CD 3.16Å; M161-P163 VanDerWaalsContact O-N 3.14Å; P163-Y169 WeakPolarHBondContact CA-OH 3.38Å; P163-Y169 WeakPolarHBondContact CB-OH 3.06Å; P163-Y169 WeakPolarHBondContact O-CE2 3.49Å; P163-Y169 PolarHBondContact O-OH 3.35Å
164	M	78	Confident	69	Low	159 Å²	159	123.8 Å²	123.8	78%	0.783	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	1.3	167.6	-65	-64.2	-67.6	0	0	112.8	D162	D162-M164 PolarHBondContact O-N 3.17Å; D162-M164 PolarHBondContact OD1-N 2.97Å
165	D	77.1	Confident	70.1	Confident	54 Å²	54	113.7 Å²	113.7	29%	0.289	61%	0.61	S	S	.	*			trans	-77.9	128.3	175.8	-173.5	-34.3	0	0	0	109.8	M161 D162 S167 A168	M161-D165 HydrophobicContact CE-CB 3.61Å; M161-D165 WeakPolarHBondContact CE-OD2 3.35Å; D162-D165 HydrophobicContact CB-CB 3.98Å; D162-D165 PolarHBondContact O-N 3.12Å; D165-S167 PolarHBondContact O-N 3.04Å; D165-S167 VanDerWaalsContact O-N 3.14Å; D165-S167 WeakPolarHBondContact OD1-CB 3.46Å; D165-S167 PolarHBondContact OD1-N 3.22Å; D165-S167 PolarHBondContact OD1-OG 3.05Å; D165-S167 PolarHBondContact OD2-OG 3.43Å; D165-A168 HydrophobicContact CB-CB 4.42Å; D165-A168 WeakPolarHBondContact O-CA 2.98Å; D165-A168 WeakPolarHBondContact O-CB 3.44Å; D165-A168 PolarHBondContact O-N 2.84Å
166	P	77.3	Confident	71.4	Confident	95 Å²	95	116.3 Å²	116.3	62%	0.617	61%	0.606	S	S	*	*	H	α-helix	trans	-56.4	-29.5	177.3	20.6	-32	0	0	0	113.2	A168 Y169 S170	P166-A168 PolarHBondContact O-N 2.68Å; P166-Y169 PolarHBondContact O-N 3.22Å; P166-S170 VanDerWaalsContact O-CB 3.3Å; P166-S170 WeakPolarHBondContact O-CB 3.3Å; P166-S170 PolarHBondContact O-N 3.24Å; P166-S170 PolarHBondContact O-OG 2.85Å
167	S	76.1	Confident	72.2	Confident	25 Å²	25	118.4 Å²	118.4	18%	0.175	61%	0.614	C	S	.	*	H	α-helix	trans	-75	-5.7	174.4	66.8	0	0	0	0	114.2	M161 D165 K174	M161-S167 WeakPolarHBondContact CE-OG 3.35Å; D165-S167 PolarHBondContact O-N 3.04Å; D165-S167 VanDerWaalsContact O-N 3.14Å; D165-S167 WeakPolarHBondContact OD1-CB 3.46Å; D165-S167 PolarHBondContact OD1-N 3.22Å; D165-S167 PolarHBondContact OD1-OG 3.05Å; D165-S167 PolarHBondContact OD2-OG 3.43Å; S167-K174 WeakPolarHBondContact O-CE 3.43Å
168	A	76.9	Confident	72.9	Confident	39 Å²	39	113.3 Å²	113.3	32%	0.322	60%	0.603	S	S	.	*	H	α-helix	trans	-81.3	-32.8	169.4	0	0	0	0	0	113	M161 D162 D165 P166	M161-A168 HydrophobicContact CB-CB 4.09Å; M161-A168 HydrophobicContact CG-CB 3.32Å; D162-A168 VanDerWaalsContact O-CB 3.3Å; D162-A168 WeakPolarHBondContact O-CB 3.04Å; D165-A168 HydrophobicContact CB-CB 4.42Å; D165-A168 WeakPolarHBondContact O-CA 2.98Å; D165-A168 WeakPolarHBondContact O-CB 3.44Å; D165-A168 PolarHBondContact O-N 2.84Å; P166-A168 PolarHBondContact O-N 2.68Å
169	Y	69.9	Low	73.7	Confident	172 Å²	172	110.3 Å²	110.3	68%	0.675	59%	0.59	S	S	*	*	H	α-helix	trans	-111.6	-12.9	-176.5	-61.3	-74.1	0	0	0	114.8	P163 P166	P163-Y169 WeakPolarHBondContact CA-OH 3.38Å; P163-Y169 WeakPolarHBondContact CB-OH 3.06Å; P163-Y169 WeakPolarHBondContact O-CE2 3.49Å; P163-Y169 PolarHBondContact O-OH 3.35Å; P166-Y169 PolarHBondContact O-N 3.22Å
170	S	77.1	Confident	74.1	Confident	58 Å²	58	104.9 Å²	104.9	41%	0.406	59%	0.586	S	S	.	*	S	Bend	trans	-117.9	155.7	-177.5	71.7	0	0	0	0	112.7	P166 A172	P166-S170 VanDerWaalsContact O-CB 3.3Å; P166-S170 WeakPolarHBondContact O-CB 3.3Å; P166-S170 PolarHBondContact O-N 3.24Å; P166-S170 PolarHBondContact O-OG 2.85Å; S170-A172 PolarHBondContact O-N 3.41Å; S170-A172 WeakPolarHBondContact OG-CB 3.42Å
171	D	75.2	Confident	74.7	Confident	171 Å²	171	103.4 Å²	103.4	91%	0.914	58%	0.582	S	S	*	*			trans	-74.7	25.7	171.9	-160.4	24.9	0	0	0	112.3
172	A	77.1	Confident	74.9	Confident	44 Å²	44	103.2 Å²	103.2	36%	0.364	59%	0.588	S	S	.	*			trans	-62.7	127.4	175.9	0	0	0	0	0	108.6	S170 K174	S170-A172 PolarHBondContact O-N 3.41Å; S170-A172 WeakPolarHBondContact OG-CB 3.42Å; A172-K174 PolarHBondContact O-N 3.22Å
173	P	68.8	Low	74.7	Confident	125 Å²	125	105.8 Å²	105.8	81%	0.812	59%	0.594	S	S	*	*			trans	-59.9	117.4	-178.5	22.3	-32	0	0	0	109.7	G175	P173-G175 PolarHBondContact O-N 2.71Å
174	K	70.8	Confident	74	Confident	162 Å²	162	113.8 Å²	113.8	70%	0.704	61%	0.614	S	S	*	*			trans	-71.3	99.2	177.7	-66.5	172.9	179.8	176.9	0	108.6	S167 A172	S167-K174 WeakPolarHBondContact O-CE 3.43Å; A172-K174 PolarHBondContact O-N 3.22Å
175	G	76.8	Confident	73.1	Confident	42 Å²	42	113 Å²	113	43%	0.433	61%	0.613	S	S	.	*			trans	-136.2	153.1	-175.7	0	0	0	0	0	113.1	P173 T179	P173-G175 PolarHBondContact O-N 2.71Å; G175-T179 VanDerWaalsContact CA-CG2 3.47Å; G175-T179 WeakPolarHBondContact CA-OG1 3.35Å
176	N	78.7	Confident	72.2	Confident	129 Å²	129	116.4 Å²	116.4	69%	0.69	63%	0.627	S	S	*	*			trans	-71.3	161.4	165.4	-67.1	95.1	0	0	0	109.3	S178 T179	N176-S178 PolarHBondContact O-N 3.06Å; N176-T179 WeakPolarHBondContact O-CB 3.09Å; N176-T179 PolarHBondContact O-N 3.47Å; N176-T179 PolarHBondContact O-OG1 2.75Å
177	W	69.8	Low	71.4	Confident	259 Å²	259	114 Å²	114	98%	0.981	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-15.1	179.9	-129.4	-11.5	0	0	0	115.9	L181	W177-L181 WeakPolarHBondContact O-CD1 3.41Å
178	S	72.6	Confident	70.5	Confident	86 Å²	86	123 Å²	123	60%	0.601	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-7.3	174.2	58.6	0	0	0	0	115.2	N176 G180 L181	N176-S178 PolarHBondContact O-N 3.06Å; S178-G180 PolarHBondContact O-N 3.38Å; S178-L181 PolarHBondContact O-N 2.87Å
179	T	76.1	Confident	69.6	Low	91 Å²	91	125.6 Å²	125.6	56%	0.558	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	112.3	178.2	54.8	0	0	0	0	109.1	G175 N176	G175-T179 VanDerWaalsContact CA-CG2 3.47Å; G175-T179 WeakPolarHBondContact CA-OG1 3.35Å; N176-T179 WeakPolarHBondContact O-CB 3.09Å; N176-T179 PolarHBondContact O-N 3.47Å; N176-T179 PolarHBondContact O-OG1 2.75Å
180	G	70.7	Confident	69.1	Low	80 Å²	80	120.9 Å²	120.9	83%	0.825	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	103.7	-10.1	-176.8	0	0	0	0	0	114.7	S178	S178-G180 PolarHBondContact O-N 3.38Å
181	L	77.2	Confident	68.5	Low	118 Å²	118	119.8 Å²	119.8	62%	0.618	66%	0.661	S	S	*	*	S	Bend	trans	-79.6	134.8	168.4	-81	96.1	0	0	0	110.1	W177 S178 K183	W177-L181 WeakPolarHBondContact O-CD1 3.41Å; S178-L181 PolarHBondContact O-N 2.87Å; L181-K183 PolarHBondContact O-N 3.03Å
182	P	71.1	Confident	67.8	Low	83 Å²	83	116.6 Å²	116.6	54%	0.539	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-56.1	136.1	169.1	24.1	-31.5	0	0	0	108.1	R184	P182-R184 PolarHBondContact O-N 2.79Å
183	K	72.7	Confident	67.1	Low	146 Å²	146	120.6 Å²	120.6	64%	0.635	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-53.7	147.4	176.3	-70.9	171.7	-176	163.8	0	107.7	L181 N185 E186	L181-K183 PolarHBondContact O-N 3.03Å; K183-N185 PolarHBondContact O-N 3.37Å; K183-E186 HydrophobicContact CB-CB 4.42Å; K183-E186 PolarHBondContact O-N 3.5Å
184	R	63.3	Low	66.8	Low	251 Å²	251	121 Å²	121	95%	0.947	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-7.5	-174.2	-67.7	178.4	175	-124.4	-1	115.3	P182	P182-R184 PolarHBondContact O-N 2.79Å
185	N	59.8	Low	66.2	Low	144 Å²	144	116.4 Å²	116.4	77%	0.77	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	0.5	-179.3	-52.7	-21.3	0	0	0	114.1	K183	K183-N185 PolarHBondContact O-N 3.37Å
186	E	59.3	Low	65.4	Low	125 Å²	125	120 Å²	120	58%	0.584	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-7.2	-178	-88.4	168.6	-173.9	0	0	113.1	K183 K188	K183-E186 HydrophobicContact CB-CB 4.42Å; K183-E186 PolarHBondContact O-N 3.5Å; E186-K188 PolarHBondContact O-N 3.18Å; E186-K188 VanDerWaalsContact O-N 3.07Å
187	A	60.1	Low	64.8	Low	43 Å²	43	115.6 Å²	115.6	36%	0.355	67%	0.668	S	S	.	*			trans	-61.8	117.4	171.6	0	0	0	0	0	108.4	T189	A187-T189 HydrophobicContact CB-CG2 4.21Å; A187-T189 PolarHBondContact O-N 2.92Å; A187-T189 PolarHBondContact O-OG1 3.29Å; A187-T189 VanDerWaalsContact O-OG1 3.06Å
188	K	56	Low	64.7	Low	215 Å²	215	106.9 Å²	106.9	94%	0.935	65%	0.645	S	S	*	*			trans	-67.8	33.1	169.1	-161.9	156.8	179	173.7	0	111.9	E186 G190	E186-K188 PolarHBondContact O-N 3.18Å; E186-K188 VanDerWaalsContact O-N 3.07Å; K188-G190 PolarHBondContact O-N 3.44Å
189	T	58.8	Low	64.1	Low	93 Å²	93	110.1 Å²	110.1	57%	0.571	65%	0.654	S	S	*	*			trans	-66.4	118.1	158.6	41.8	0	0	0	0	106.1	A187 A191	A187-T189 HydrophobicContact CB-CG2 4.21Å; A187-T189 PolarHBondContact O-N 2.92Å; A187-T189 PolarHBondContact O-OG1 3.29Å; A187-T189 VanDerWaalsContact O-OG1 3.06Å; T189-A191 PolarHBondContact O-N 2.99Å
190	G	60	Low	63.3	Low	73 Å²	73	114.1 Å²	114.1	75%	0.753	66%	0.664	S	S	*	*			trans	-67	42.7	177.2	0	0	0	0	0	113.8	K188	K188-G190 PolarHBondContact O-N 3.44Å
191	A	64.3	Low	63.3	Low	36 Å²	36	116.6 Å²	116.6	30%	0.298	65%	0.654	S	S	.	*			trans	-97.7	121.7	175.6	0	0	0	0	0	108.3	T189 T193 L199	T189-A191 PolarHBondContact O-N 2.99Å; A191-T193 PolarHBondContact O-N 3.36Å; A191-L199 HydrophobicContact CB-CD1 3.97Å
192	D	59.3	Low	62.8	Low	103 Å²	103	119.4 Å²	119.4	55%	0.551	66%	0.664	S	S	*	*			trans	-69.1	115.5	178.6	-60.8	-38.6	0	0	0	109.2	T194 A195 R203	D192-T194 PolarHBondContact O-N 2.77Å; D192-A195 PolarHBondContact O-N 3.07Å; D192-R203 IonicContact OD2-CZ 3.97Å; D192-R203 IonicContact OD2-NH1 3.82Å; D192-R203 IonicContact OD2-NH2 3.14Å; D192-R203 PolarHBondContact OD2-NH2 2.81Å
193	T	63.3	Low	62.8	Low	128 Å²	128	122.4 Å²	122.4	79%	0.785	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-7.3	-180	53	0	0	0	0	113.5	A191	A191-T193 PolarHBondContact O-N 3.36Å
194	T	61.9	Low	63.2	Low	133 Å²	133	121.2 Å²	121.2	82%	0.816	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-14.3	178.7	-41.5	0	0	0	0	113.1	D192 A196	D192-T194 PolarHBondContact O-N 2.77Å; T194-A196 PolarHBondContact O-N 2.82Å
195	A	58	Low	64	Low	67 Å²	67	118.9 Å²	118.9	55%	0.554	67%	0.665	S	S	*	*			trans	-83.5	108	178.4	0	0	0	0	0	110.9	D192 G197	D192-A195 PolarHBondContact O-N 3.07Å; A195-G197 VanDerWaalsContact C-N 3.32Å; A195-G197 PolarHBondContact O-N 2.68Å
196	A	61.2	Low	65.1	Low	116 Å²	116	116.1 Å²	116.1	96%	0.959	66%	0.655	S	S	*	*			trans	-73.4	86.7	169.2	0	0	0	0	0	109.5	T194	T194-A196 PolarHBondContact O-N 2.82Å
197	G	65.4	Low	66.4	Low	38 Å²	38	113.7 Å²	113.7	39%	0.392	65%	0.651	S	S	.	*	S	Bend	trans	-169	167	178.4	0	0	0	0	0	112.8	A195 L199	A195-G197 VanDerWaalsContact C-N 3.32Å; A195-G197 PolarHBondContact O-N 2.68Å; G197-L199 PolarHBondContact O-N 3.27Å
198	P	66.8	Low	67.8	Low	76 Å²	76	116.7 Å²	116.7	49%	0.494	67%	0.667	S	S	.	*			trans	-54.6	132.1	175.6	-19.6	30	0	0	0	110.2	F200 Q201	P198-F200 HydrophobicContact CB-CD1 3.9Å; P198-F200 HydrophobicContact CB-CE1 3.48Å; P198-F200 VanDerWaalsContact CB-CE1 3.48Å; P198-F200 HydrophobicContact CB-CE2 4.48Å; P198-F200 HydrophobicContact CB-CZ 3.81Å; P198-F200 PolarHBondContact O-N 3.35Å; P198-Q201 PolarHBondContact O-N 3.21Å
199	L	60.2	Low	69.5	Low	154 Å²	154	108.1 Å²	108.1	81%	0.806	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-8.9	-170	-163	65	0	0	0	114.4	A191 G197	A191-L199 HydrophobicContact CB-CD1 3.97Å; G197-L199 PolarHBondContact O-N 3.27Å
200	F	59.6	Low	70.9	Confident	175 Å²	175	105.4 Å²	105.4	77%	0.768	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	18.2	-171.4	62.4	-95.7	0	0	0	114.9	P198 Q202	P198-F200 HydrophobicContact CB-CD1 3.9Å; P198-F200 HydrophobicContact CB-CE1 3.48Å; P198-F200 VanDerWaalsContact CB-CE1 3.48Å; P198-F200 HydrophobicContact CB-CE2 4.48Å; P198-F200 HydrophobicContact CB-CZ 3.81Å; P198-F200 PolarHBondContact O-N 3.35Å; F200-Q202 PolarHBondContact O-N 2.77Å; F200-Q202 VanDerWaalsContact O-N 3.14Å
201	Q	70.1	Confident	72.2	Confident	131 Å²	131	104.8 Å²	104.8	61%	0.612	61%	0.609	S	S	*	*			trans	-58	123.4	175.8	-72.4	-177	-7.9	0	0	110.9	P198 R203	P198-Q201 PolarHBondContact O-N 3.21Å; Q201-R203 PolarHBondContact O-N 2.81Å
202	Q	66.8	Low	73.3	Confident	177 Å²	177	108.9 Å²	108.9	83%	0.827	63%	0.625	S	S	*	*			trans	-62	106.3	178.6	-169.6	172.4	9.2	0	0	108.9	F200	F200-Q202 PolarHBondContact O-N 2.77Å; F200-Q202 VanDerWaalsContact O-N 3.14Å
203	R	72.4	Confident	74.7	Confident	146 Å²	146	112.9 Å²	112.9	55%	0.551	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-73.1	142.8	-179.8	-71	-179.7	155.7	-139.1	-11.3	110.2	D192 Q201 Y205	D192-R203 IonicContact OD2-CZ 3.97Å; D192-R203 IonicContact OD2-NH1 3.82Å; D192-R203 IonicContact OD2-NH2 3.14Å; D192-R203 PolarHBondContact OD2-NH2 2.81Å; Q201-R203 PolarHBondContact O-N 2.81Å; R203-Y205 PolarHBondContact O-N 3.14Å
204	P	80.5	Confident	75.7	Confident	122 Å²	122	109.2 Å²	109.2	79%	0.792	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-56.1	136.2	167.8	-19.5	30.4	0	0	0	109.9
205	Y	80.5	Confident	76.8	Confident	201 Å²	201	107 Å²	107	79%	0.788	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-56.5	142.4	176.3	-68.1	-76.2	0	0	0	110.6	R203	R203-Y205 PolarHBondContact O-N 3.14Å
206	P	83.4	Confident	78	Confident	86 Å²	86	106.8 Å²	106.8	56%	0.558	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-56.7	143	175.6	21.8	-31.2	0	0	0	110.4	A210 V211	P206-A210 HydrophobicContact CB-CB 4.26Å; P206-V211 HydrophobicContact CB-CG2 4.1Å; P206-V211 HydrophobicContact CG-CG2 3.77Å
207	S	86.1	Confident	78.8	Confident	74 Å²	74	103.9 Å²	103.9	52%	0.517	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-60.5	148.3	178.3	65.9	0	0	0	0	110.5	G209 A210 V211	S207-G209 PolarHBondContact O-N 2.83Å; S207-A210 WeakPolarHBondContact O-CA 3.22Å; S207-A210 WeakPolarHBondContact O-CB 3.45Å; S207-A210 PolarHBondContact O-N 2.71Å; S207-V211 PolarHBondContact O-N 2.83Å
208	P	88.8	Confident	79.3	Confident	106 Å²	106	108.5 Å²	108.5	69%	0.688	59%	0.588	S	S	*	*	H	α-helix	trans	-51.1	-36.3	-177.6	-30.3	35.6	0	0	0	114.1	A210 V211 L212	P208-A210 PolarHBondContact O-N 2.93Å; P208-V211 PolarHBondContact O-N 2.9Å; P208-L212 WeakPolarHBondContact O-CG 3.3Å; P208-L212 PolarHBondContact O-N 2.97Å
209	G	92.9	Very high	79.5	Confident	36 Å²	36	113.2 Å²	113.2	37%	0.371	60%	0.601	S	S	.	*	H	α-helix	trans	-69	-29.2	175.9	0	0	0	0	0	114.8	S207 R213	S207-G209 PolarHBondContact O-N 2.83Å; G209-R213 PolarHBondContact O-N 2.96Å
210	A	88.1	Confident	79.9	Confident	36 Å²	36	114 Å²	114	30%	0.298	60%	0.598	S	S	.	*	H	α-helix	trans	-70.2	-41	173.1	0	0	0	0	0	111.2	P206 S207 P208 R213 A214	P206-A210 HydrophobicContact CB-CB 4.26Å; S207-A210 WeakPolarHBondContact O-CA 3.22Å; S207-A210 WeakPolarHBondContact O-CB 3.45Å; S207-A210 PolarHBondContact O-N 2.71Å; P208-A210 PolarHBondContact O-N 2.93Å; A210-R213 PolarHBondContact O-N 3.48Å; A210-A214 PolarHBondContact O-N 3.13Å
211	V	86.1	Confident	79.6	Confident	60 Å²	60	110.9 Å²	110.9	36%	0.364	60%	0.595	S	S	.	*	H	α-helix	trans	-62.6	-44.3	175.2	179.5	0	0	0	0	111.1	P206 S207 P208 R213 A214 N215	P206-V211 HydrophobicContact CB-CG2 4.1Å; P206-V211 HydrophobicContact CG-CG2 3.77Å; S207-V211 PolarHBondContact O-N 2.83Å; P208-V211 PolarHBondContact O-N 2.9Å; V211-R213 PolarHBondContact O-N 3.34Å; V211-A214 PolarHBondContact O-N 3.34Å; V211-N215 WeakPolarHBondContact O-CB 3.15Å; V211-N215 VanDerWaalsContact O-CG 3.31Å; V211-N215 PolarHBondContact O-N 3.49Å
212	L	87.3	Confident	78.6	Confident	122 Å²	122	111.2 Å²	111.2	64%	0.639	61%	0.61	S	S	*	*	H	α-helix	trans	-61	-41.9	177.1	-71.1	173.3	0	0	0	112.5	P208 N215 A216	P208-L212 WeakPolarHBondContact O-CG 3.3Å; P208-L212 PolarHBondContact O-N 2.97Å; L212-N215 PolarHBondContact O-N 3.46Å; L212-A216 WeakPolarHBondContact O-CB 3.33Å; L212-A216 PolarHBondContact O-N 3.04Å
213	R	88.7	Confident	77.7	Confident	187 Å²	187	106.7 Å²	106.7	71%	0.706	60%	0.598	S	S	*	*	H	α-helix	trans	-66.1	-41.6	175.3	-80.9	-173.5	-68.4	-151.7	0.5	112.9	G209 A210 V211 A216 A217	G209-R213 PolarHBondContact O-N 2.96Å; A210-R213 PolarHBondContact O-N 3.48Å; V211-R213 PolarHBondContact O-N 3.34Å; R213-A216 PolarHBondContact O-N 2.92Å; R213-A217 PolarHBondContact O-N 3.31Å
214	A	85	Confident	76.7	Confident	50 Å²	50	106.4 Å²	106.4	41%	0.413	61%	0.608	S	S	.	*	H	α-helix	trans	-62.7	-43.3	176.2	0	0	0	0	0	111.4	A210 V211 A216 A217 N218	A210-A214 PolarHBondContact O-N 3.13Å; V211-A214 PolarHBondContact O-N 3.34Å; A214-A216 PolarHBondContact O-N 3.34Å; A214-A217 PolarHBondContact O-N 3.04Å; A214-N218 VanDerWaalsContact O-CG 3.25Å; A214-N218 PolarHBondContact O-N 3.03Å; A214-N218 PolarHBondContact O-ND2 3.34Å
215	N	84	Confident	75.3	Confident	87 Å²	87	108.8 Å²	108.8	47%	0.465	61%	0.614	S	S	.	*	H	α-helix	trans	-65.1	-39.3	176.3	-71.7	-13.4	0	0	0	112.1	V211 L212 N218 K219	V211-N215 WeakPolarHBondContact O-CB 3.15Å; V211-N215 VanDerWaalsContact O-CG 3.31Å; V211-N215 PolarHBondContact O-N 3.49Å; L212-N215 PolarHBondContact O-N 3.46Å; N215-N218 PolarHBondContact O-N 2.98Å; N215-K219 VanDerWaalsContact O-CG 3.22Å; N215-K219 WeakPolarHBondContact O-CG 3.47Å; N215-K219 PolarHBondContact O-N 2.6Å; N215-K219 VanDerWaalsContact O-N 3.13Å
216	A	84.4	Confident	73.9	Confident	62 Å²	62	106.1 Å²	106.1	51%	0.512	61%	0.613	S	S	.	*	H	α-helix	trans	-64.8	-39.2	175.4	0	0	0	0	0	112.3	L212 R213 A214 N218 K219	L212-A216 WeakPolarHBondContact O-CB 3.33Å; L212-A216 PolarHBondContact O-N 3.04Å; R213-A216 PolarHBondContact O-N 2.92Å; A214-A216 PolarHBondContact O-N 3.34Å; A216-N218 VanDerWaalsContact C-N 3.35Å; A216-K219 PolarHBondContact O-N 3.34Å
217	A	77.3	Confident	72.4	Confident	56 Å²	56	109.5 Å²	109.5	46%	0.463	63%	0.627	S	S	.	*	H	α-helix	trans	-64	-39.6	174.7	0	0	0	0	0	112.2	R213 A214 K219 K220	R213-A217 PolarHBondContact O-N 3.31Å; A214-A217 PolarHBondContact O-N 3.04Å; A217-K219 PolarHBondContact O-N 3.42Å; A217-K220 PolarHBondContact O-N 3.22Å
218	N	75.6	Confident	70.8	Confident	134 Å²	134	117.5 Å²	117.5	72%	0.717	66%	0.664	S	S	*	*	H	α-helix	trans	-72.7	-13	176.8	-66.3	-13.2	0	0	0	113.6	A214 N215 A216	A214-N218 VanDerWaalsContact O-CG 3.25Å; A214-N218 PolarHBondContact O-N 3.03Å; A214-N218 PolarHBondContact O-ND2 3.34Å; N215-N218 PolarHBondContact O-N 2.98Å; A216-N218 VanDerWaalsContact C-N 3.35Å
219	K	71	Confident	69.9	Low	176 Å²	176	118.1 Å²	118.1	77%	0.765	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	2.7	178.2	-74.4	-71.2	-176.9	-176.1	0	113.6	N215 A216 A217 P221	N215-K219 VanDerWaalsContact O-CG 3.22Å; N215-K219 WeakPolarHBondContact O-CG 3.47Å; N215-K219 PolarHBondContact O-N 2.6Å; N215-K219 VanDerWaalsContact O-N 3.13Å; A216-K219 PolarHBondContact O-N 3.34Å; A217-K219 PolarHBondContact O-N 3.42Å; K219-P221 VanDerWaalsContact O-CD 3.31Å; K219-P221 WeakPolarHBondContact O-CD 3.31Å
220	K	68.6	Low	68.6	Low	171 Å²	171	122.4 Å²	122.4	74%	0.743	68%	0.678	S	S	*	*			trans	-66.5	119.6	171.4	-69.1	-173.4	177.2	-171.3	0	109.3	A217	A217-K220 PolarHBondContact O-N 3.22Å
221	P	53.9	Low	67.6	Low	108 Å²	108	127.2 Å²	127.2	70%	0.701	70%	0.699	S	S	*	*			trans	-68.1	142.2	171.2	28.4	-31.8	0	0	0	109.9	K219 S223	K219-P221 VanDerWaalsContact O-CD 3.31Å; K219-P221 WeakPolarHBondContact O-CD 3.31Å; P221-S223 PolarHBondContact O-N 3.27Å
222	C	49.8	Very low	66.5	Low	138 Å²	138	131.2 Å²	131.2	93%	0.932	72%	0.719	S	S	*	*			trans	-69.4	107.6	162	-162	0	0	0	0	106.5
223	S	47.3	Very low	65.2	Low	83 Å²	83	131.8 Å²	131.8	58%	0.58	72%	0.724	S	S	*	*			trans	-150.2	104.6	165.5	57	0	0	0	0	107.8	P221	P221-S223 PolarHBondContact O-N 3.27Å
224	D	52.3	Low	63.6	Low	139 Å²	139	128.1 Å²	128.1	74%	0.743	73%	0.725	S	S	*	*			trans	39.9	113.8	133.4	-50	-35.6	0	0	0	118.1
225	D	49.3	Very low	62.1	Low	172 Å²	172	133.6 Å²	133.6	92%	0.92	75%	0.747	S	S	*	*			trans	-139.6	81.5	141.4	-78.3	-51.2	0	0	0	106.5
226	D	51.4	Low	60.4	Low	145 Å²	145	137.2 Å²	137.2	78%	0.775	77%	0.769	S	S	*	*			trans	-74	151.3	142.6	-84.8	-52.6	0	0	0	107.6
227	D	52	Low	58.4	Low	158 Å²	158	143.5 Å²	143.5	85%	0.845	79%	0.79	S	S	*	*			trans	88.2	93.3	174.2	-59.8	-47	0	0	0	118.3
228	D	52.1	Low	56.7	Low	242 Å²	242	151.5 Å²	151.5	100%	1.294	82%	0.82	S	S	*	*				-167.6	0	106.1	-112	-39.3	0	0	0	111.1

Retrieved 228 of 228 residues in 346.5 ms (Link to these results)

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