A0A096NJA3_PAPAN Loading...

Cytosolic iron-sulfur assembly component 2B

Component of the cytosolic iron-sulfur protein assembly (CIA) complex, a multiprotein complex that mediates the incorporation of iron-sulfur cluster into extramitochondrial Fe/S proteins. As a CIA complex component and in collaboration with CIAO1 and MMS19, binds to and facilitates the assembly of most cytosolic-nuclear Fe/S proteins. As part of the mitotic spindle-associated MMXD complex it plays a role in chromosome segregation, probably by facilitating iron-sulfur cluster assembly into ERCC2/XPD. Together with MMS19, facilitates the transfer of Fe-S clusters to the motor protein KIF4A, which ensures proper localization of KIF4A to mitotic machinery components to promote the progression of mitosis.

AlphaFold DB , UniProt , Accession A0A096NJA3, Species PAPAN (Papio anubis, Olive baboon), Gene CIAO2B, Length 164 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.7	Very low	40.8	Very low	246 Å²	246	106.2 Å²	106.2	100%	1.212	82%	0.824	S	S	*	*				0	137.2	0	-84.6	168	170.6	0	0	107.9
2	V	42.4	Very low	42.3	Very low	149 Å²	149	111.3 Å²	111.3	90%	0.903	83%	0.829	S	S	*	*			trans	-68.4	124.1	-160.3	-135.3	0	0	0	0	111.5
3	G	36.4	Very low	43.7	Very low	78 Å²	78	109.7 Å²	109.7	80%	0.804	80%	0.801	S	S	*	*			trans	-91.1	89.9	165	0	0	0	0	0	109.1	G5	G3-G5 PolarHBondContact O-N 3.06Å
4	G	41.5	Very low	45.4	Very low	78 Å²	78	107.8 Å²	107.8	80%	0.804	77%	0.772	S	S	*	*			trans	-78	91.3	171.6	0	0	0	0	0	110	G6	G4-G6 PolarHBondContact O-N 2.92Å
5	G	35.9	Very low	46.7	Very low	67 Å²	67	102.3 Å²	102.3	69%	0.691	73%	0.73	S	S	*	*			trans	-77.7	112.8	165.4	0	0	0	0	0	109.1	G3 V7	G3-G5 PolarHBondContact O-N 3.06Å; G5-V7 PolarHBondContact O-N 3.5Å
6	G	40.3	Very low	47.9	Very low	81 Å²	81	101.5 Å²	101.5	84%	0.835	73%	0.73	S	S	*	*			trans	-58.9	122	175	0	0	0	0	0	110.8	G4 G8	G4-G6 PolarHBondContact O-N 2.92Å; G6-G8 VanDerWaalsContact C-N 3.35Å; G6-G8 PolarHBondContact O-N 3.04Å; G6-G8 VanDerWaalsContact O-N 3.13Å
7	V	39.8	Very low	49.3	Very low	142 Å²	142	103.9 Å²	103.9	86%	0.861	73%	0.732	S	S	*	*			trans	-81.2	89.3	169.8	-171.7	0	0	0	0	106.6	G5 S9	G5-V7 PolarHBondContact O-N 3.5Å; V7-S9 PolarHBondContact O-N 2.93Å
8	G	40.6	Very low	50.6	Low	70 Å²	70	99.2 Å²	99.2	72%	0.722	70%	0.698	S	S	*	*			trans	-65	114.1	161.5	0	0	0	0	0	107.7	G6 G10	G6-G8 VanDerWaalsContact C-N 3.35Å; G6-G8 PolarHBondContact O-N 3.04Å; G6-G8 VanDerWaalsContact O-N 3.13Å; G8-G10 PolarHBondContact O-N 3.39Å
9	S	42.9	Very low	52	Low	125 Å²	125	100.8 Å²	100.8	87%	0.874	70%	0.697	S	S	*	*			trans	-67.8	82.7	175.8	-155	0	0	0	0	108.9	V7 G11	V7-S9 PolarHBondContact O-N 2.93Å; S9-G11 PolarHBondContact O-N 3.41Å
10	G	39.5	Very low	53.4	Low	65 Å²	65	101.7 Å²	101.7	67%	0.67	69%	0.692	S	S	*	*			trans	-76.8	101.9	170.1	0	0	0	0	0	108.3	G8 L12	G8-G10 PolarHBondContact O-N 3.39Å; G10-L12 PolarHBondContact O-N 3.22Å
11	G	45.8	Very low	54.7	Low	67 Å²	67	101.8 Å²	101.8	69%	0.691	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-54.1	127.3	170.3	0	0	0	0	0	109.3	S9 L13	S9-G11 PolarHBondContact O-N 3.41Å; G11-L13 PolarHBondContact O-N 2.82Å
12	L	59	Low	56.3	Low	168 Å²	168	99.2 Å²	99.2	88%	0.88	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-60.8	122.3	171.2	-101.2	81.9	0	0	0	107.8	G10 E14	G10-L12 PolarHBondContact O-N 3.22Å; L12-E14 PolarHBondContact O-N 2.81Å
13	L	60.7	Low	58.2	Low	90 Å²	90	98.1 Å²	98.1	47%	0.471	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-59.2	131.8	168.2	-59.4	173.1	0	0	0	108.4	G11 N15 E58	G11-L13 PolarHBondContact O-N 2.82Å; L13-N15 PolarHBondContact O-N 2.95Å; L13-E58 HydrophobicContact CD2-CB 4.41Å
14	E	67.8	Low	60.2	Low	83 Å²	83	96.8 Å²	96.8	39%	0.388	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.1	-26.5	-177.2	-63.2	-171.5	107.1	0	0	111.9	L12 E58 I91 S95	L12-E14 PolarHBondContact O-N 2.81Å; E14-E58 PolarHBondContact N-OE1 2.84Å; E14-I91 HydrophobicContact CB-CD1 3.64Å; E14-S95 VanDerWaalsContact CD-OG 3.28Å; E14-S95 VanDerWaalsContact OE2-CB 3.24Å; E14-S95 WeakPolarHBondContact OE2-CB 3.39Å; E14-S95 PolarHBondContact OE2-N 2.62Å; E14-S95 PolarHBondContact OE2-OG 2.8Å
15	N	64.6	Low	61.8	Low	26 Å²	26	95.8 Å²	95.8	14%	0.139	61%	0.611	C	S	.	*	T	Hydrogen-bonded Turn	trans	-122.7	76.2	176.6	-172.6	0.3	0	0	0	112.6	L13 N17 H59 T90 I91	L13-N15 PolarHBondContact O-N 2.95Å; N15-N17 PolarHBondContact O-N 2.82Å; N15-H59 PolarHBondContact O-CE1 3.07Å; N15-H59 PolarHBondContact O-NE2 3.35Å; N15-T90 WeakPolarHBondContact ND2-CB 3.38Å; N15-T90 PolarHBondContact ND2-OG1 3.17Å; N15-I91 HydrophobicContact CB-CG2 4.23Å
16	A	65.1	Low	63.4	Low	89 Å²	89	101.8 Å²	101.8	74%	0.736	62%	0.622	S	S	*	*	S	Bend	trans	-59.8	-15.9	-172.5	0	0	0	0	0	116.6
17	N	71.5	Confident	64.7	Low	143 Å²	143	101.8 Å²	101.8	77%	0.765	60%	0.596	S	S	*	*	S	Bend	trans	-147.6	82.1	178.1	-169.1	28.1	0	0	0	111.7	N15	N15-N17 PolarHBondContact O-N 2.82Å
18	P	73.7	Confident	66	Low	18 Å²	18	100.1 Å²	100.1	12%	0.117	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-69.6	143.7	-179.5	26.5	-32.4	0	0	0	112.2	L61 L66	P18-L61 HydrophobicContact CB-CD1 4.36Å; P18-L61 HydrophobicContact CG-CD1 3.63Å; P18-L66 HydrophobicContact CB-CD2 3.36Å; P18-L66 HydrophobicContact CG-CD2 3.96Å
19	L	76.3	Confident	67.4	Low	131 Å²	131	101.5 Å²	101.5	69%	0.686	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-71.4	128.6	168.6	-67.5	171.7	0	0	0	109.4	Y21	L19-Y21 HydrophobicContact CB-CE2 3.98Å; L19-Y21 WeakPolarHBondContact O-CD2 3.31Å
20	I	80.8	Confident	68.8	Low	117 Å²	117	99 Å²	99	60%	0.6	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-98.6	127.3	-179.6	-56.3	175	0	0	0	109.6	L61 E65	I20-L61 HydrophobicContact CD1-CD1 4.28Å; I20-L61 HydrophobicContact CD1-CD2 4.17Å; I20-L61 HydrophobicContact CG1-CD1 4.01Å; I20-L61 HydrophobicContact CG1-CD2 4.39Å; I20-E65 CarbonylContact C-O 3.45Å; I20-E65 WeakPolarHBondContact CA-O 3.35Å; I20-E65 HydrophobicContact CG2-CB 4.43Å
21	Y	79.4	Confident	70.1	Confident	104 Å²	104	99.8 Å²	99.8	41%	0.408	56%	0.563	S	S	.	*			trans	-104.2	152.4	179.3	-64.6	-98.4	0	0	0	111.4	L19 R23 E65 N67	L19-Y21 HydrophobicContact CB-CE2 3.98Å; L19-Y21 WeakPolarHBondContact O-CD2 3.31Å; Y21-R23 PolarHBondContact O-N 2.92Å; Y21-E65 WeakPolarHBondContact CD2-O 3.37Å; Y21-E65 PolarHBondContact N-O 3.39Å; Y21-N67 HydrophobicContact CD1-CB 4.07Å; Y21-N67 HydrophobicContact CD2-CB 3.44Å; Y21-N67 VanDerWaalsContact CD2-CB 3.44Å; Y21-N67 HydrophobicContact CE1-CB 4.09Å; Y21-N67 HydrophobicContact CE2-CB 3.44Å; Y21-N67 VanDerWaalsContact CE2-CB 3.44Å; Y21-N67 HydrophobicContact CG-CB 3.76Å
22	Q	79.3	Confident	71	Confident	193 Å²	193	98.5 Å²	98.5	90%	0.902	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-72.9	126.5	179.5	-169.3	173.4	5.9	0	0	110.3
23	R	80.8	Confident	71.4	Confident	126 Å²	126	93 Å²	93	48%	0.475	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-63.9	145	176.5	-64.8	-170.4	-171.3	-166.5	-2.7	111.6	Y21 E65	Y21-R23 PolarHBondContact O-N 2.92Å; R23-E65 HydrophobicContact CG-CG 3.86Å; R23-E65 IonicContact CZ-OE1 3.39Å; R23-E65 IonicContact CZ-OE2 3.63Å; R23-E65 IonicContact NE-OE1 2.94Å; R23-E65 PolarHBondContact NE-OE1 3.29Å; R23-E65 IonicContact NE-OE2 2.95Å; R23-E65 IonicContact NH2-OE1 3.87Å; R23-E65 PolarHBondContact NH2-OE1 3Å; R23-E65 IonicContact NH2-OE2 2.77Å; R23-E65 PolarHBondContact NH2-OE2 3.02Å
24	S	78.8	Confident	72	Confident	49 Å²	49	95.9 Å²	95.9	34%	0.343	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-65.1	138.5	173.9	-50.9	0	0	0	0	110.6	R52 E64	S24-R52 PolarHBondContact O-NH1 3.1Å; S24-R52 PolarHBondContact O-NH2 2.71Å; S24-E64 VanDerWaalsContact CB-OE1 3.25Å; S24-E64 WeakPolarHBondContact CB-OE1 3.48Å; S24-E64 PolarHBondContact N-OE1 3.27Å; S24-E64 PolarHBondContact OG-OE1 3.35Å
25	G	74.8	Confident	72.5	Confident	57 Å²	57	95.3 Å²	95.3	59%	0.588	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-65.3	169.3	177.7	0	0	0	0	0	113.8	R45	G25-R45 PolarHBondContact O-NH2 2.73Å
26	E	69.6	Low	73	Confident	194 Å²	194	103.5 Å²	103.5	91%	0.907	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-57.7	143.5	171.8	-70.5	-174.2	148	0	0	110.9
27	R	68.6	Low	73.6	Confident	80 Å²	80	107.7 Å²	107.7	30%	0.302	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-77.4	137.3	179.6	79.4	-177.9	-130.3	-177.9	-3.1	109.9	E33	R27-E33 IonicContact CZ-OE1 2.76Å; R27-E33 IonicContact CZ-OE2 3.4Å; R27-E33 IonicContact NE-OE2 3.15Å; R27-E33 IonicContact NH2-OE1 2.71Å; R27-E33 PolarHBondContact NH2-OE1 2.99Å; R27-E33 IonicContact NH2-OE2 2.97Å; R27-E33 PolarHBondContact NH2-OE2 3.38Å
28	P	67.2	Low	73.8	Confident	107 Å²	107	104.5 Å²	104.5	70%	0.695	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-68.9	137.5	165.2	28.6	-31	0	0	0	109.2	T30	P28-T30 PolarHBondContact O-N 3.36Å
29	V	70.3	Confident	73.7	Confident	99 Å²	99	109.1 Å²	109.1	60%	0.6	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-64.4	127.5	169.9	-179.8	0	0	0	0	107.7	E33 E34	V29-E33 HydrophobicContact CG1-CB 4.15Å; V29-E34 HydrophobicContact CG1-CG 3.93Å
30	T	71.3	Confident	73.8	Confident	72 Å²	72	108.4 Å²	108.4	44%	0.442	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-84	148	178.1	67.5	0	0	0	0	110.3	P28 G32 E33	P28-T30 PolarHBondContact O-N 3.36Å; T30-G32 PolarHBondContact O-N 3.24Å; T30-E33 PolarHBondContact N-OE2 3.22Å; T30-E33 WeakPolarHBondContact O-CB 3.46Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 VanDerWaalsContact OG1-CG 3.31Å; T30-E33 WeakPolarHBondContact OG1-CG 3.32Å; T30-E33 PolarHBondContact OG1-OE1 3.25Å
31	A	66.4	Low	73.9	Confident	83 Å²	83	105.8 Å²	105.8	69%	0.686	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-21.1	179.6	0	0	0	0	0	113.4
32	G	66.1	Low	74.3	Confident	39 Å²	39	101.9 Å²	101.9	40%	0.402	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	-24.5	173.8	0	0	0	0	0	113.7	T30 E34 D35	T30-G32 PolarHBondContact O-N 3.24Å; G32-E34 VanDerWaalsContact C-N 3.31Å; G32-D35 PolarHBondContact O-N 3.04Å
33	E	66.5	Low	74.7	Confident	54 Å²	54	95.7 Å²	95.7	25%	0.252	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.8	173.3	-69.3	155.2	-153	0	0	112	R27 V29 T30	R27-E33 IonicContact CZ-OE1 2.76Å; R27-E33 IonicContact CZ-OE2 3.4Å; R27-E33 IonicContact NE-OE2 3.15Å; R27-E33 IonicContact NH2-OE1 2.71Å; R27-E33 PolarHBondContact NH2-OE1 2.99Å; R27-E33 IonicContact NH2-OE2 2.97Å; R27-E33 PolarHBondContact NH2-OE2 3.38Å; V29-E33 HydrophobicContact CG1-CB 4.15Å; T30-E33 PolarHBondContact N-OE2 3.22Å; T30-E33 WeakPolarHBondContact O-CB 3.46Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 VanDerWaalsContact OG1-CG 3.31Å; T30-E33 WeakPolarHBondContact OG1-CG 3.32Å; T30-E33 PolarHBondContact OG1-OE1 3.25Å
34	E	72.6	Confident	75.2	Confident	149 Å²	149	91 Å²	91	70%	0.696	52%	0.523	S	S	*	.	S	Bend	trans	-83.4	-16	175.1	-60.5	-173.5	125.6	0	0	112.7	V29 G32 E36	V29-E34 HydrophobicContact CG1-CG 3.93Å; G32-E34 VanDerWaalsContact C-N 3.31Å; E34-E36 PolarHBondContact O-N 3.21Å
35	D	78	Confident	75.6	Confident	72 Å²	72	90.5 Å²	90.5	39%	0.385	51%	0.514	S	S	.	.			trans	-88.5	99.7	179.5	-167.6	-16.5	0	0	0	110.7	G32 Q37 V38	G32-D35 PolarHBondContact O-N 3.04Å; D35-Q37 PolarHBondContact O-N 2.87Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.3Å; D35-Q37 PolarHBondContact OD1-N 2.76Å; D35-V38 HydrophobicContact CB-CG2 4.1Å; D35-V38 PolarHBondContact O-N 2.67Å
36	E	75.9	Confident	76.3	Confident	198 Å²	198	91 Å²	91	93%	0.925	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-13.7	178.1	-69.3	-179.1	173.9	0	0	114.2	E34	E34-E36 PolarHBondContact O-N 3.21Å
37	Q	78.3	Confident	77.4	Confident	176 Å²	176	81.8 Å²	81.8	82%	0.822	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.5	177	-59.5	-175.4	54.3	0	0	113.3	D35	D35-Q37 PolarHBondContact O-N 2.87Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.3Å; D35-Q37 PolarHBondContact OD1-N 2.76Å
38	V	74.8	Confident	78.6	Confident	76 Å²	76	78.1 Å²	78.1	46%	0.461	44%	0.444	S	S	.	.	S	Bend	trans	-96	124.7	177.7	-174.7	0	0	0	0	108.8	D35 D40	D35-V38 HydrophobicContact CB-CG2 4.1Å; D35-V38 PolarHBondContact O-N 2.67Å; V38-D40 PolarHBondContact O-N 2.97Å
39	P	72.4	Confident	79.7	Confident	115 Å²	115	75.2 Å²	75.2	75%	0.747	42%	0.422	S	S	*	.			trans	-61.9	120.2	172.8	-18.9	30.5	0	0	0	110.1	S41	P39-S41 PolarHBondContact O-N 3.4Å; P39-S41 VanDerWaalsContact O-N 3.1Å
40	D	77.9	Confident	80.7	Confident	116 Å²	116	72.2 Å²	72.2	62%	0.62	40%	0.403	S	S	*	.			trans	-70.4	104.4	172.9	-166.5	7	0	0	0	109.2	V38	V38-D40 PolarHBondContact O-N 2.97Å
41	S	83.6	Confident	81.7	Confident	63 Å²	63	68.8 Å²	68.8	44%	0.441	38%	0.382	S	S	.	.			trans	-91.7	138.6	-177.2	62.6	0	0	0	0	110.5	P39 D43	P39-S41 PolarHBondContact O-N 3.4Å; P39-S41 VanDerWaalsContact O-N 3.1Å; S41-D43 PolarHBondContact O-N 3.21Å
42	I	86.5	Confident	82.9	Confident	22 Å²	22	66.5 Å²	66.5	11%	0.113	36%	0.356	C	S	.	.			trans	-62.4	123.5	177.7	-65.1	157.3	0	0	0	109.8	E46 I47 V76 L112 F116	I42-E46 WeakPolarHBondContact CA-OE2 3.33Å; I42-E46 WeakPolarHBondContact CG1-OE2 3.41Å; I42-I47 HydrophobicContact CG2-CD1 3.65Å; I42-I47 HydrophobicContact CG2-CG1 3.94Å; I42-V76 HydrophobicContact CG2-CG1 4.27Å; I42-V76 VanDerWaalsContact O-CG1 3.3Å; I42-V76 WeakPolarHBondContact O-CG1 3.34Å; I42-L112 HydrophobicContact CD1-CD2 4.07Å; I42-L112 HydrophobicContact CG2-CD2 4.3Å; I42-F116 HydrophobicContact CB-CZ 4.23Å; I42-F116 HydrophobicContact CD1-CD2 4.34Å; I42-F116 HydrophobicContact CD1-CE2 3.37Å; I42-F116 HydrophobicContact CD1-CZ 3.56Å; I42-F116 HydrophobicContact CG1-CZ 4.45Å
43	D	88.4	Confident	84	Confident	62 Å²	62	67.1 Å²	67.1	33%	0.332	35%	0.354	S	S	.	.			trans	-110.6	172.2	-179.1	76.9	3.5	0	0	0	112.5	S41 R45 E46 I47	S41-D43 PolarHBondContact O-N 3.21Å; D43-R45 PolarHBondContact O-N 2.74Å; D43-R45 WeakPolarHBondContact OD1-CA 3.34Å; D43-R45 WeakPolarHBondContact OD1-CB 3.49Å; D43-R45 PolarHBondContact OD1-N 3.18Å; D43-E46 PolarHBondContact O-N 2.8Å; D43-E46 WeakPolarHBondContact OD1-CB 3.25Å; D43-E46 PolarHBondContact OD1-N 3.08Å; D43-I47 PolarHBondContact O-N 3.4Å
44	A	90.5	Very high	85.2	Confident	27 Å²	27	64.7 Å²	64.7	22%	0.223	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-25.6	178.5	0	0	0	0	0	112.8	F48 V74 V76	A44-F48 WeakPolarHBondContact O-CB 3.44Å; A44-F48 PolarHBondContact O-N 2.99Å; A44-V74 HydrophobicContact CB-CB 4.25Å; A44-V74 HydrophobicContact CB-CG1 3.99Å; A44-V74 WeakPolarHBondContact CB-O 3.47Å; A44-V76 HydrophobicContact CB-CG2 4.33Å
45	R	87.7	Confident	86	Confident	39 Å²	39	58.5 Å²	58.5	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-73.6	-43.9	-179.9	177.8	56.3	-176.8	-109	-3.3	110.9	G25 D43 F48 D49	G25-R45 PolarHBondContact O-NH2 2.73Å; D43-R45 PolarHBondContact O-N 2.74Å; D43-R45 WeakPolarHBondContact OD1-CA 3.34Å; D43-R45 WeakPolarHBondContact OD1-CB 3.49Å; D43-R45 PolarHBondContact OD1-N 3.18Å; R45-F48 CarbonylContact O-C 3.6Å; R45-F48 WeakPolarHBondContact O-CB 3.31Å; R45-F48 PolarHBondContact O-N 2.71Å; R45-D49 IonicContact CZ-OD2 2.82Å; R45-D49 IonicContact NE-OD1 2.84Å; R45-D49 PolarHBondContact NE-OD1 2.76Å; R45-D49 IonicContact NE-OD2 3.64Å; R45-D49 PolarHBondContact NE-OD2 3.04Å; R45-D49 IonicContact NH2-OD1 3.73Å; R45-D49 IonicContact NH2-OD2 3.81Å; R45-D49 WeakPolarHBondContact O-CB 3.43Å; R45-D49 PolarHBondContact O-N 3.42Å
46	E	89.7	Confident	86.4	Confident	68 Å²	68	55.5 Å²	55.5	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-46.9	175.6	-171.4	-176.8	174.1	0	0	110.7	I42 D43 F48 D49 L50	I42-E46 WeakPolarHBondContact CA-OE2 3.33Å; I42-E46 WeakPolarHBondContact CG1-OE2 3.41Å; D43-E46 PolarHBondContact O-N 2.8Å; D43-E46 WeakPolarHBondContact OD1-CB 3.25Å; D43-E46 PolarHBondContact OD1-N 3.08Å; E46-F48 VanDerWaalsContact C-N 3.31Å; E46-F48 PolarHBondContact O-N 3.04Å; E46-D49 PolarHBondContact O-N 2.92Å; E46-L50 WeakPolarHBondContact O-CG 3.45Å; E46-L50 PolarHBondContact O-N 2.97Å
47	I	92.8	Very high	86.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-42.6	174.6	-62.8	-49.3	0	0	0	111.5	I42 D43 L50 I51 V74 V76 V83 V85 L108 L112	I42-I47 HydrophobicContact CG2-CD1 3.65Å; I42-I47 HydrophobicContact CG2-CG1 3.94Å; D43-I47 PolarHBondContact O-N 3.4Å; I47-L50 HydrophobicContact CD1-CD1 4.26Å; I47-L50 WeakPolarHBondContact O-CB 3.12Å; I47-L50 PolarHBondContact O-N 3.16Å; I47-I51 WeakPolarHBondContact O-CG1 3.34Å; I47-I51 PolarHBondContact O-N 2.85Å; I47-V74 HydrophobicContact CB-CG1 3.62Å; I47-V74 HydrophobicContact CG1-CG1 4.45Å; I47-V74 HydrophobicContact CG2-CG1 3.39Å; I47-V74 HydrophobicContact CG2-CG2 4.5Å; I47-V76 HydrophobicContact CB-CG2 4.18Å; I47-V76 HydrophobicContact CG1-CG2 3.48Å; I47-V76 VanDerWaalsContact CG1-CG2 3.48Å; I47-V83 HydrophobicContact CD1-CG1 4.45Å; I47-V83 HydrophobicContact CD1-CG2 4.34Å; I47-V83 HydrophobicContact CG1-CG1 4.22Å; I47-V83 HydrophobicContact CG1-CG2 4.44Å; I47-V83 HydrophobicContact CG2-CG1 3.98Å; I47-V85 HydrophobicContact CG2-CG2 3.99Å; I47-L108 HydrophobicContact CD1-CD2 4.28Å; I47-L108 HydrophobicContact CG2-CD2 3.92Å; I47-L112 HydrophobicContact CD1-CD1 3.62Å; I47-L112 HydrophobicContact CD1-CD2 3.48Å; I47-L112 VanDerWaalsContact CD1-CD2 3.48Å; I47-L112 HydrophobicContact CD1-CG 4.06Å
48	F	92.8	Very high	86.9	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-45	175.6	177.5	-107.1	0	0	0	111.9	A44 R45 E46 L50 I51 R52 E64 V69 Q71 V74	A44-F48 WeakPolarHBondContact O-CB 3.44Å; A44-F48 PolarHBondContact O-N 2.99Å; R45-F48 CarbonylContact O-C 3.6Å; R45-F48 WeakPolarHBondContact O-CB 3.31Å; R45-F48 PolarHBondContact O-N 2.71Å; E46-F48 VanDerWaalsContact C-N 3.31Å; E46-F48 PolarHBondContact O-N 3.04Å; F48-L50 PolarHBondContact O-N 2.87Å; F48-I51 WeakPolarHBondContact O-CG1 3.06Å; F48-I51 PolarHBondContact O-N 2.81Å; F48-I51 VanDerWaalsContact O-N 3.09Å; F48-R52 HydrophobicContact CD1-CB 4.45Å; F48-R52 HydrophobicContact CE1-CB 4.09Å; F48-R52 HydrophobicContact CE2-CB 4.13Å; F48-R52 HydrophobicContact CZ-CB 3.93Å; F48-R52 VanDerWaalsContact O-CB 3.26Å; F48-R52 WeakPolarHBondContact O-CB 3.46Å; F48-R52 WeakPolarHBondContact O-CG 3.46Å; F48-R52 PolarHBondContact O-N 2.94Å; F48-E64 HydrophobicContact CZ-CB 4.5Å; F48-E64 HydrophobicContact CZ-CG 4.03Å; F48-V69 HydrophobicContact CE2-CG2 4.19Å; F48-Q71 HydrophobicContact CB-CB 4.13Å; F48-Q71 HydrophobicContact CB-CG 4.14Å; F48-Q71 HydrophobicContact CD1-CB 4.02Å; F48-Q71 HydrophobicContact CD2-CB 4.05Å; F48-Q71 VanDerWaalsContact CD2-N 3.34Å; F48-Q71 HydrophobicContact CE1-CB 4.44Å; F48-Q71 HydrophobicContact CE2-CB 4.48Å; F48-Q71 HydrophobicContact CG-CB 3.79Å; F48-Q71 HydrophobicContact CG-CG 4.29Å; F48-V74 HydrophobicContact CB-CG2 4.4Å
49	D	90.4	Very high	87.1	Confident	46 Å²	46	38.5 Å²	38.5	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-29.5	179.4	-74.6	-34.7	0	0	0	112.3	R45 E46 R52	R45-D49 IonicContact CZ-OD2 2.82Å; R45-D49 IonicContact NE-OD1 2.84Å; R45-D49 PolarHBondContact NE-OD1 2.76Å; R45-D49 IonicContact NE-OD2 3.64Å; R45-D49 PolarHBondContact NE-OD2 3.04Å; R45-D49 IonicContact NH2-OD1 3.73Å; R45-D49 IonicContact NH2-OD2 3.81Å; R45-D49 WeakPolarHBondContact O-CB 3.43Å; R45-D49 PolarHBondContact O-N 3.42Å; E46-D49 PolarHBondContact O-N 2.92Å; D49-R52 WeakPolarHBondContact O-CG 3.49Å; D49-R52 WeakPolarHBondContact OD1-CD 3.26Å; D49-R52 IonicContact OD1-CZ 3.89Å; D49-R52 IonicContact OD1-NE 3.91Å; D49-R52 IonicContact OD1-NH1 3.94Å; D49-R52 PolarHBondContact OD1-NH1 2.99Å
50	L	91.8	Very high	87.6	Confident	37 Å²	37	37.2 Å²	37.2	19%	0.194	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-38.1	171.6	-69.7	173.3	0	0	0	113.3	E46 I47 F48 K107 L108 L112	E46-L50 WeakPolarHBondContact O-CG 3.45Å; E46-L50 PolarHBondContact O-N 2.97Å; I47-L50 HydrophobicContact CD1-CD1 4.26Å; I47-L50 WeakPolarHBondContact O-CB 3.12Å; I47-L50 PolarHBondContact O-N 3.16Å; F48-L50 PolarHBondContact O-N 2.87Å; L50-K107 WeakPolarHBondContact O-CE 3.39Å; L50-K107 WeakPolarHBondContact O-CG 3.46Å; L50-L108 HydrophobicContact CD1-CD2 4.45Å; L50-L112 HydrophobicContact CD1-CD2 4.13Å
51	I	93.3	Very high	88	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-99.6	-22.5	-171.1	68.1	179.7	0	0	0	113.9	I47 F48 S53 I54 V69 V74 V85 I104 L108	I47-I51 WeakPolarHBondContact O-CG1 3.34Å; I47-I51 PolarHBondContact O-N 2.85Å; F48-I51 WeakPolarHBondContact O-CG1 3.06Å; F48-I51 PolarHBondContact O-N 2.81Å; F48-I51 VanDerWaalsContact O-N 3.09Å; I51-S53 PolarHBondContact O-N 3.5Å; I51-I54 HydrophobicContact CB-CD1 4Å; I51-I54 HydrophobicContact CG2-CD1 4.25Å; I51-I54 WeakPolarHBondContact O-CB 3.47Å; I51-I54 VanDerWaalsContact O-CG1 3.31Å; I51-I54 WeakPolarHBondContact O-CG1 3.43Å; I51-I54 PolarHBondContact O-N 3.38Å; I51-V69 HydrophobicContact CD1-CB 4.07Å; I51-V69 HydrophobicContact CD1-CG1 4Å; I51-V69 HydrophobicContact CG1-CB 4.33Å; I51-V69 HydrophobicContact CG1-CG1 4.39Å; I51-V69 HydrophobicContact CG1-CG2 4.28Å; I51-V74 HydrophobicContact CD1-CG2 4.13Å; I51-V85 HydrophobicContact CD1-CG1 3.67Å; I51-V85 HydrophobicContact CD1-CG2 4.41Å; I51-I104 HydrophobicContact CG2-CG2 4.12Å; I51-L108 HydrophobicContact CG2-CD2 3.71Å; I51-L108 HydrophobicContact CG2-CG 4.05Å
52	R	91.1	Very high	88.3	Confident	35 Å²	35	30.3 Å²	30.3	13%	0.132	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.9	-177.4	66.8	-177.3	-69.8	-166.7	-4.8	114.3	S24 F48 D49 T62 E64	S24-R52 PolarHBondContact O-NH1 3.1Å; S24-R52 PolarHBondContact O-NH2 2.71Å; F48-R52 HydrophobicContact CD1-CB 4.45Å; F48-R52 HydrophobicContact CE1-CB 4.09Å; F48-R52 HydrophobicContact CE2-CB 4.13Å; F48-R52 HydrophobicContact CZ-CB 3.93Å; F48-R52 VanDerWaalsContact O-CB 3.26Å; F48-R52 WeakPolarHBondContact O-CB 3.46Å; F48-R52 WeakPolarHBondContact O-CG 3.46Å; F48-R52 PolarHBondContact O-N 2.94Å; D49-R52 WeakPolarHBondContact O-CG 3.49Å; D49-R52 WeakPolarHBondContact OD1-CD 3.26Å; D49-R52 IonicContact OD1-CZ 3.89Å; D49-R52 IonicContact OD1-NE 3.91Å; D49-R52 IonicContact OD1-NH1 3.94Å; D49-R52 PolarHBondContact OD1-NH1 2.99Å; R52-T62 WeakPolarHBondContact O-CB 3.26Å; R52-T62 PolarHBondContact O-OG1 3.2Å; R52-E64 HydrophobicContact CB-CB 3.88Å; R52-E64 IonicContact CZ-OE1 3.95Å; R52-E64 IonicContact CZ-OE2 2.78Å; R52-E64 VanDerWaalsContact NE-CD 3.33Å; R52-E64 IonicContact NE-OE1 3.92Å; R52-E64 PolarHBondContact NE-OE1 2.88Å; R52-E64 IonicContact NE-OE2 3.15Å; R52-E64 PolarHBondContact NE-OE2 2.78Å; R52-E64 IonicContact NH2-OE1 3.06Å; R52-E64 PolarHBondContact NH2-OE1 3.06Å; R52-E64 IonicContact NH2-OE2 2.75Å; R52-E64 PolarHBondContact NH2-OE2 2.75Å
53	S	89.6	Confident	88.5	Confident	52 Å²	52	29.2 Å²	29.2	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.3	-177.6	56.8	0	0	0	0	113.6	I51 N55	I51-S53 PolarHBondContact O-N 3.5Å; S53-N55 PolarHBondContact O-N 3.23Å
54	I	91.6	Very high	88.6	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.015	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-62.1	134	173.2	-61.9	173.4	0	0	0	107.9	I51 T62 L63 I104 K107 C159 L160	I51-I54 HydrophobicContact CB-CD1 4Å; I51-I54 HydrophobicContact CG2-CD1 4.25Å; I51-I54 WeakPolarHBondContact O-CB 3.47Å; I51-I54 VanDerWaalsContact O-CG1 3.31Å; I51-I54 WeakPolarHBondContact O-CG1 3.43Å; I51-I54 PolarHBondContact O-N 3.38Å; I54-T62 CarbonylContact O-C 3.58Å; I54-T62 VanDerWaalsContact O-CA 3.24Å; I54-T62 WeakPolarHBondContact O-CA 3.37Å; I54-T62 WeakPolarHBondContact O-CB 3.49Å; I54-L63 HydrophobicContact CB-CD1 3.8Å; I54-L63 HydrophobicContact CB-CG 3.99Å; I54-L63 HydrophobicContact CD1-CD1 4.38Å; I54-L63 HydrophobicContact CG2-CD1 3.78Å; I54-L63 HydrophobicContact CG2-CG 4.04Å; I54-L63 WeakPolarHBondContact O-CG 3.47Å; I54-L63 PolarHBondContact O-N 2.82Å; I54-I104 HydrophobicContact CD1-CB 4.49Å; I54-I104 HydrophobicContact CD1-CG1 4.03Å; I54-K107 HydrophobicContact CD1-CB 3.83Å; I54-K107 HydrophobicContact CD1-CG 4.07Å; I54-K107 HydrophobicContact CG1-CG 4.37Å; I54-C159 HydrophobicContact CG2-CB 4.2Å; I54-L160 HydrophobicContact CD1-CD2 4.03Å; I54-L160 HydrophobicContact CG1-CD2 3.87Å; I54-L160 HydrophobicContact CG2-CD2 4.31Å
55	N	88.9	Confident	88.5	Confident	19 Å²	19	27 Å²	27	10%	0.102	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-83.1	147.4	176.7	-53.7	-85.6	0	0	0	110.4	S53 C159 S161	S53-N55 PolarHBondContact O-N 3.23Å; N55-C159 PolarHBondContact N-O 2.9Å; N55-C159 PolarHBondContact ND2-O 3.1Å; N55-C159 WeakPolarHBondContact O-CB 3.36Å; N55-S161 PolarHBondContact ND2-O 3.32Å
56	D	86.8	Confident	88.4	Confident	9 Å²	9	25.6 Å²	25.6	5%	0.048	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-68.6	140.1	168.4	-173.8	-92.2	0	0	0	110.7	E58 H59 L61 L66	D56-E58 VanDerWaalsContact C-N 3.27Å; D56-E58 PolarHBondContact O-N 2.94Å; D56-E58 WeakPolarHBondContact OD1-CA 3.46Å; D56-E58 WeakPolarHBondContact OD1-CB 3.42Å; D56-E58 PolarHBondContact OD1-N 2.79Å; D56-H59 HydrophobicContact CB-CB 4.24Å; D56-H59 IonicContact OD1-CD2 3.34Å; D56-H59 PolarHBondContact OD1-CD2 3.33Å; D56-H59 IonicContact OD1-CG 2.67Å; D56-H59 PolarHBondContact OD1-N 2.95Å; D56-L61 PolarHBondContact N-O 3.47Å; D56-L66 HydrophobicContact CB-CD1 3.51Å
57	P	83.6	Confident	88.4	Confident	43 Å²	43	24.5 Å²	24.5	28%	0.279	14%	0.136	S	C	.	.	S	Bend	trans	-69.9	-21	179.5	26.2	-34	0	0	0	113.7	M96 I100	P57-M96 HydrophobicContact CG-CB 3.83Å; P57-M96 HydrophobicContact CG-CG 4.19Å; P57-I100 HydrophobicContact CG-CG1 4.24Å
58	E	81.6	Confident	88.3	Confident	32 Å²	32	24.5 Å²	24.5	15%	0.15	14%	0.136	C	C	.	.	S	Bend	trans	-101.9	-29.1	-178.2	-56.3	-166.7	100.1	0	0	112.4	L13 E14 D56 M96	L13-E58 HydrophobicContact CD2-CB 4.41Å; E14-E58 PolarHBondContact N-OE1 2.84Å; D56-E58 VanDerWaalsContact C-N 3.27Å; D56-E58 PolarHBondContact O-N 2.94Å; D56-E58 WeakPolarHBondContact OD1-CA 3.46Å; D56-E58 WeakPolarHBondContact OD1-CB 3.42Å; D56-E58 PolarHBondContact OD1-N 2.79Å; E58-M96 HydrophobicContact CG-CG 3.76Å
59	H	78.9	Confident	88.2	Confident	17 Å²	17	24.4 Å²	24.4	8%	0.079	14%	0.136	C	C	.	.	S	Bend	trans	-121.1	148.3	-173.4	-61.9	-65.4	0	0	0	113.5	N15 D56 L61	N15-H59 PolarHBondContact O-CE1 3.07Å; N15-H59 PolarHBondContact O-NE2 3.35Å; D56-H59 HydrophobicContact CB-CB 4.24Å; D56-H59 IonicContact OD1-CD2 3.34Å; D56-H59 PolarHBondContact OD1-CD2 3.33Å; D56-H59 IonicContact OD1-CG 2.67Å; D56-H59 PolarHBondContact OD1-N 2.95Å; H59-L61 HydrophobicContact CB-CB 4.35Å; H59-L61 HydrophobicContact CB-CD1 4.42Å; H59-L61 HydrophobicContact CB-CG 4.48Å; H59-L61 PolarHBondContact O-N 3.18Å
60	P	82.6	Confident	88.3	Confident	89 Å²	89	24.3 Å²	24.3	58%	0.578	13%	0.134	S	C	*	.	S	Bend	trans	-77.5	43.5	172.8	36.6	-37.7	0	0	0	111.8
61	L	86.4	Confident	88.2	Confident	26 Å²	26	26.1 Å²	26.1	14%	0.136	14%	0.142	C	C	.	.	S	Bend	trans	-128.4	153.6	-177.3	-67.1	169.9	0	0	0	109.4	P18 I20 D56 H59 E65 L66	P18-L61 HydrophobicContact CB-CD1 4.36Å; P18-L61 HydrophobicContact CG-CD1 3.63Å; I20-L61 HydrophobicContact CD1-CD1 4.28Å; I20-L61 HydrophobicContact CD1-CD2 4.17Å; I20-L61 HydrophobicContact CG1-CD1 4.01Å; I20-L61 HydrophobicContact CG1-CD2 4.39Å; D56-L61 PolarHBondContact N-O 3.47Å; H59-L61 HydrophobicContact CB-CB 4.35Å; H59-L61 HydrophobicContact CB-CD1 4.42Å; H59-L61 HydrophobicContact CB-CG 4.48Å; H59-L61 PolarHBondContact O-N 3.18Å; L61-E65 WeakPolarHBondContact CA-OE2 3.22Å; L61-E65 HydrophobicContact CB-CB 4.38Å; L61-E65 HydrophobicContact CD2-CB 4.46Å; L61-L66 HydrophobicContact CB-CD1 4.3Å; L61-L66 HydrophobicContact CB-CD2 4.09Å; L61-L66 HydrophobicContact CB-CG 4.01Å; L61-L66 HydrophobicContact CD1-CD2 3.61Å; L61-L66 HydrophobicContact CD1-CG 4.43Å
62	T	90.3	Very high	88	Confident	7 Å²	7	32 Å²	32	4%	0.043	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-83.7	160.1	175.8	73	0	0	0	0	112.2	R52 I54 E64 E65 L66	R52-T62 WeakPolarHBondContact O-CB 3.26Å; R52-T62 PolarHBondContact O-OG1 3.2Å; I54-T62 CarbonylContact O-C 3.58Å; I54-T62 VanDerWaalsContact O-CA 3.24Å; I54-T62 WeakPolarHBondContact O-CA 3.37Å; I54-T62 WeakPolarHBondContact O-CB 3.49Å; T62-E64 PolarHBondContact O-N 3.09Å; T62-E65 PolarHBondContact N-OE2 2.9Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 PolarHBondContact OG1-N 3.2Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 2.77Å; T62-L66 VanDerWaalsContact O-N 3.12Å
63	L	90.1	Very high	88	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.5	176.5	-62.8	-171	0	0	0	112.5	I54 N67 V68 V69 I100 I104	I54-L63 HydrophobicContact CB-CD1 3.8Å; I54-L63 HydrophobicContact CB-CG 3.99Å; I54-L63 HydrophobicContact CD1-CD1 4.38Å; I54-L63 HydrophobicContact CG2-CD1 3.78Å; I54-L63 HydrophobicContact CG2-CG 4.04Å; I54-L63 WeakPolarHBondContact O-CG 3.47Å; I54-L63 PolarHBondContact O-N 2.82Å; L63-N67 PolarHBondContact O-N 3.33Å; L63-V68 HydrophobicContact CB-CB 4.11Å; L63-V68 HydrophobicContact CB-CG1 4.43Å; L63-V68 HydrophobicContact CD2-CB 4.16Å; L63-V68 HydrophobicContact CD2-CG1 4.02Å; L63-V68 HydrophobicContact CD2-CG2 4.44Å; L63-V68 WeakPolarHBondContact O-CA 3.01Å; L63-V68 WeakPolarHBondContact O-CB 3.44Å; L63-V68 PolarHBondContact O-N 2.78Å; L63-V69 HydrophobicContact CB-CB 4.49Å; L63-V69 HydrophobicContact CB-CG1 4.15Å; L63-V69 HydrophobicContact CB-CG2 3.68Å; L63-V69 HydrophobicContact CD1-CG1 4.05Å; L63-V69 PolarHBondContact O-N 3.04Å; L63-I100 HydrophobicContact CD1-CG2 3.96Å; L63-I100 HydrophobicContact CD2-CG1 4.48Å; L63-I100 HydrophobicContact CD2-CG2 4.01Å; L63-I104 HydrophobicContact CD1-CD1 4.02Å; L63-I104 HydrophobicContact CD1-CG1 3.89Å
64	E	90.9	Very high	88.3	Confident	9 Å²	9	31.3 Å²	31.3	4%	0.042	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-44.2	173.1	176.6	-176.9	-148	0	0	112.1	S24 F48 R52 T62 L66 N67	S24-E64 VanDerWaalsContact CB-OE1 3.25Å; S24-E64 WeakPolarHBondContact CB-OE1 3.48Å; S24-E64 PolarHBondContact N-OE1 3.27Å; S24-E64 PolarHBondContact OG-OE1 3.35Å; F48-E64 HydrophobicContact CZ-CB 4.5Å; F48-E64 HydrophobicContact CZ-CG 4.03Å; R52-E64 HydrophobicContact CB-CB 3.88Å; R52-E64 IonicContact CZ-OE1 3.95Å; R52-E64 IonicContact CZ-OE2 2.78Å; R52-E64 VanDerWaalsContact NE-CD 3.33Å; R52-E64 IonicContact NE-OE1 3.92Å; R52-E64 PolarHBondContact NE-OE1 2.88Å; R52-E64 IonicContact NE-OE2 3.15Å; R52-E64 PolarHBondContact NE-OE2 2.78Å; R52-E64 IonicContact NH2-OE1 3.06Å; R52-E64 PolarHBondContact NH2-OE1 3.06Å; R52-E64 IonicContact NH2-OE2 2.75Å; R52-E64 PolarHBondContact NH2-OE2 2.75Å; T62-E64 PolarHBondContact O-N 3.09Å; E64-L66 PolarHBondContact O-N 3.31Å; E64-N67 PolarHBondContact O-N 2.86Å
65	E	87.1	Confident	88.3	Confident	32 Å²	32	37.8 Å²	37.8	15%	0.15	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24	178.2	-72.5	174	148.4	0	0	112.4	I20 Y21 R23 L61 T62	I20-E65 CarbonylContact C-O 3.45Å; I20-E65 WeakPolarHBondContact CA-O 3.35Å; I20-E65 HydrophobicContact CG2-CB 4.43Å; Y21-E65 WeakPolarHBondContact CD2-O 3.37Å; Y21-E65 PolarHBondContact N-O 3.39Å; R23-E65 HydrophobicContact CG-CG 3.86Å; R23-E65 IonicContact CZ-OE1 3.39Å; R23-E65 IonicContact CZ-OE2 3.63Å; R23-E65 IonicContact NE-OE1 2.94Å; R23-E65 PolarHBondContact NE-OE1 3.29Å; R23-E65 IonicContact NE-OE2 2.95Å; R23-E65 IonicContact NH2-OE1 3.87Å; R23-E65 PolarHBondContact NH2-OE1 3Å; R23-E65 IonicContact NH2-OE2 2.77Å; R23-E65 PolarHBondContact NH2-OE2 3.02Å; L61-E65 WeakPolarHBondContact CA-OE2 3.22Å; L61-E65 HydrophobicContact CB-CB 4.38Å; L61-E65 HydrophobicContact CD2-CB 4.46Å; T62-E65 PolarHBondContact N-OE2 2.9Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 PolarHBondContact OG1-N 3.2Å
66	L	87.3	Confident	88.5	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	1.2	176.1	-63.9	-179.1	0	0	0	113.5	P18 D56 L61 T62 E64 V68 T90	P18-L66 HydrophobicContact CB-CD2 3.36Å; P18-L66 HydrophobicContact CG-CD2 3.96Å; D56-L66 HydrophobicContact CB-CD1 3.51Å; L61-L66 HydrophobicContact CB-CD1 4.3Å; L61-L66 HydrophobicContact CB-CD2 4.09Å; L61-L66 HydrophobicContact CB-CG 4.01Å; L61-L66 HydrophobicContact CD1-CD2 3.61Å; L61-L66 HydrophobicContact CD1-CG 4.43Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 2.77Å; T62-L66 VanDerWaalsContact O-N 3.12Å; E64-L66 PolarHBondContact O-N 3.31Å; L66-V68 HydrophobicContact CB-CG2 3.66Å; L66-V68 PolarHBondContact O-N 2.82Å; L66-V68 VanDerWaalsContact O-N 3.15Å; L66-T90 HydrophobicContact CB-CG2 3.9Å; L66-T90 HydrophobicContact CD1-CG2 4.19Å; L66-T90 HydrophobicContact CG-CG2 4.46Å
67	N	87.8	Confident	88.7	Confident	45 Å²	45	39.8 Å²	39.8	24%	0.241	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	28.1	-172	-158.5	48.7	0	0	0	113.8	Y21 L63 E64 E70	Y21-N67 HydrophobicContact CD1-CB 4.07Å; Y21-N67 HydrophobicContact CD2-CB 3.44Å; Y21-N67 VanDerWaalsContact CD2-CB 3.44Å; Y21-N67 HydrophobicContact CE1-CB 4.09Å; Y21-N67 HydrophobicContact CE2-CB 3.44Å; Y21-N67 VanDerWaalsContact CE2-CB 3.44Å; Y21-N67 HydrophobicContact CG-CB 3.76Å; L63-N67 PolarHBondContact O-N 3.33Å; E64-N67 PolarHBondContact O-N 2.86Å; N67-E70 PolarHBondContact ND2-OE1 2.91Å; N67-E70 WeakPolarHBondContact OD1-CG 3.49Å; N67-E70 PolarHBondContact OD1-OE1 2.8Å
68	V	90.8	Very high	88.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-73.9	-37.1	176.6	174	0	0	0	0	110.1	L63 L66 F87 T88 T90 I100	L63-V68 HydrophobicContact CB-CB 4.11Å; L63-V68 HydrophobicContact CB-CG1 4.43Å; L63-V68 HydrophobicContact CD2-CB 4.16Å; L63-V68 HydrophobicContact CD2-CG1 4.02Å; L63-V68 HydrophobicContact CD2-CG2 4.44Å; L63-V68 WeakPolarHBondContact O-CA 3.01Å; L63-V68 WeakPolarHBondContact O-CB 3.44Å; L63-V68 PolarHBondContact O-N 2.78Å; L66-V68 HydrophobicContact CB-CG2 3.66Å; L66-V68 PolarHBondContact O-N 2.82Å; L66-V68 VanDerWaalsContact O-N 3.15Å; V68-F87 HydrophobicContact CG1-CB 4.15Å; V68-F87 HydrophobicContact CG1-CD2 4.08Å; V68-F87 CarbonylContact O-C 3.51Å; V68-F87 WeakPolarHBondContact O-CA 3.35Å; V68-F87 WeakPolarHBondContact O-CB 3.28Å; V68-T88 VanDerWaalsContact CA-O 3.28Å; V68-T88 WeakPolarHBondContact CA-O 3.5Å; V68-T88 WeakPolarHBondContact CG2-O 3.28Å; V68-T88 PolarHBondContact O-N 3.49Å; V68-T90 HydrophobicContact CG2-CG2 3.58Å; V68-I100 HydrophobicContact CG1-CG2 3.87Å
69	V	92.3	Very high	89.1	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.2	173.6	-62.9	0	0	0	0	109.9	F48 I51 L63 F87 I104	F48-V69 HydrophobicContact CE2-CG2 4.19Å; I51-V69 HydrophobicContact CD1-CB 4.07Å; I51-V69 HydrophobicContact CD1-CG1 4Å; I51-V69 HydrophobicContact CG1-CB 4.33Å; I51-V69 HydrophobicContact CG1-CG1 4.39Å; I51-V69 HydrophobicContact CG1-CG2 4.28Å; L63-V69 HydrophobicContact CB-CB 4.49Å; L63-V69 HydrophobicContact CB-CG1 4.15Å; L63-V69 HydrophobicContact CB-CG2 3.68Å; L63-V69 HydrophobicContact CD1-CG1 4.05Å; L63-V69 PolarHBondContact O-N 3.04Å; V69-F87 HydrophobicContact CG1-CB 4.22Å; V69-I104 HydrophobicContact CG1-CD1 3.86Å
70	E	90.8	Very high	89.7	Confident	44 Å²	44	49.9 Å²	49.9	21%	0.206	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.3	179.4	-67.6	-178.6	-124.8	0	0	109.1	N67 V72 R73	N67-E70 PolarHBondContact ND2-OE1 2.91Å; N67-E70 WeakPolarHBondContact OD1-CG 3.49Å; N67-E70 PolarHBondContact OD1-OE1 2.8Å; E70-V72 HydrophobicContact CB-CG2 4.05Å; E70-V72 PolarHBondContact O-N 3.36Å; E70-R73 HydrophobicContact CB-CB 4.47Å; E70-R73 HydrophobicContact CB-CG 4.28Å; E70-R73 WeakPolarHBondContact O-CB 3.5Å; E70-R73 PolarHBondContact O-N 3.15Å; E70-R73 IonicContact OE1-CZ 3.98Å; E70-R73 IonicContact OE1-NE 2.92Å; E70-R73 IonicContact OE1-NH1 3.91Å; E70-R73 PolarHBondContact OE1-NH1 3.4Å; E70-R73 IonicContact OE1-NH2 3.39Å; E70-R73 PolarHBondContact OE1-NH2 3.24Å
71	Q	89.6	Confident	90.1	Very high	74 Å²	74	46.6 Å²	46.6	35%	0.346	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	-37.6	179.9	-174.6	-176.7	-18.6	0	0	112	F48 R73 V74	F48-Q71 HydrophobicContact CB-CB 4.13Å; F48-Q71 HydrophobicContact CB-CG 4.14Å; F48-Q71 HydrophobicContact CD1-CB 4.02Å; F48-Q71 HydrophobicContact CD2-CB 4.05Å; F48-Q71 VanDerWaalsContact CD2-N 3.34Å; F48-Q71 HydrophobicContact CE1-CB 4.44Å; F48-Q71 HydrophobicContact CE2-CB 4.48Å; F48-Q71 HydrophobicContact CG-CB 3.79Å; F48-Q71 HydrophobicContact CG-CG 4.29Å; Q71-R73 PolarHBondContact O-N 3.12Å; Q71-R73 VanDerWaalsContact O-N 3.16Å; Q71-V74 WeakPolarHBondContact O-CB 3.49Å; Q71-V74 PolarHBondContact O-N 3.01Å; Q71-V74 VanDerWaalsContact O-N 3.08Å
72	V	90.6	Very high	90.5	Very high	125 Å²	125	47.7 Å²	47.7	76%	0.758	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	-17.4	179.2	-59.3	0	0	0	0	113.5	E70	E70-V72 HydrophobicContact CB-CG2 4.05Å; E70-V72 PolarHBondContact O-N 3.36Å
73	R	91.4	Very high	90.7	Very high	62 Å²	62	47.4 Å²	47.4	23%	0.234	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	6	178	-68.7	-164	-171.7	121.4	11.6	113.3	E70 Q71 A86 T88	E70-R73 HydrophobicContact CB-CB 4.47Å; E70-R73 HydrophobicContact CB-CG 4.28Å; E70-R73 WeakPolarHBondContact O-CB 3.5Å; E70-R73 PolarHBondContact O-N 3.15Å; E70-R73 IonicContact OE1-CZ 3.98Å; E70-R73 IonicContact OE1-NE 2.92Å; E70-R73 IonicContact OE1-NH1 3.91Å; E70-R73 PolarHBondContact OE1-NH1 3.4Å; E70-R73 IonicContact OE1-NH2 3.39Å; E70-R73 PolarHBondContact OE1-NH2 3.24Å; Q71-R73 PolarHBondContact O-N 3.12Å; Q71-R73 VanDerWaalsContact O-N 3.16Å; R73-A86 HydrophobicContact CB-CB 4.1Å; R73-A86 VanDerWaalsContact CB-O 3.31Å; R73-A86 WeakPolarHBondContact CB-O 3.29Å; R73-A86 WeakPolarHBondContact CD-O 3.31Å; R73-A86 PolarHBondContact O-N 2.81Å; R73-T88 VanDerWaalsContact CZ-OG1 3.29Å; R73-T88 PolarHBondContact NH1-OG1 2.86Å
74	V	94	Very high	90.9	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.5	175.6	178.8	0	0	0	0	108.4	A44 I47 F48 I51 Q71 V76 V85	A44-V74 HydrophobicContact CB-CB 4.25Å; A44-V74 HydrophobicContact CB-CG1 3.99Å; A44-V74 WeakPolarHBondContact CB-O 3.47Å; I47-V74 HydrophobicContact CB-CG1 3.62Å; I47-V74 HydrophobicContact CG1-CG1 4.45Å; I47-V74 HydrophobicContact CG2-CG1 3.39Å; I47-V74 HydrophobicContact CG2-CG2 4.5Å; F48-V74 HydrophobicContact CB-CG2 4.4Å; I51-V74 HydrophobicContact CD1-CG2 4.13Å; Q71-V74 WeakPolarHBondContact O-CB 3.49Å; Q71-V74 PolarHBondContact O-N 3.01Å; Q71-V74 VanDerWaalsContact O-N 3.08Å; V74-V76 HydrophobicContact CG1-CG2 4.01Å; V74-V85 HydrophobicContact CG1-CG2 4.46Å; V74-V85 HydrophobicContact CG2-CG2 4.46Å
75	Q	93.4	Very high	91.1	Very high	140 Å²	140	48.1 Å²	48.1	65%	0.654	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.4	175.9	-61.7	179.3	14.9	0	0	108.9	V83 A84	Q75-V83 CarbonylContact O-C 3.59Å; Q75-V83 WeakPolarHBondContact O-CA 3.28Å; Q75-A84 HydrophobicContact CB-CB 4.32Å; Q75-A84 PolarHBondContact N-O 2.96Å; Q75-A84 PolarHBondContact O-N 2.89Å
76	V	93	Very high	91.5	Very high	38 Å²	38	47.2 Å²	47.2	23%	0.23	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133	-178.9	-175.7	0	0	0	0	108.8	I42 A44 I47 V74 V83	I42-V76 HydrophobicContact CG2-CG1 4.27Å; I42-V76 VanDerWaalsContact O-CG1 3.3Å; I42-V76 WeakPolarHBondContact O-CG1 3.34Å; A44-V76 HydrophobicContact CB-CG2 4.33Å; I47-V76 HydrophobicContact CB-CG2 4.18Å; I47-V76 HydrophobicContact CG1-CG2 3.48Å; I47-V76 VanDerWaalsContact CG1-CG2 3.48Å; V74-V76 HydrophobicContact CG1-CG2 4.01Å; V76-V83 HydrophobicContact CG1-CG2 4.13Å; V76-V83 HydrophobicContact CG2-CG1 4.48Å; V76-V83 HydrophobicContact CG2-CG2 4.33Å
77	S	90.5	Very high	91.9	Very high	32 Å²	32	46.8 Å²	46.8	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	98.3	168.7	-175.5	0	0	0	0	107.9	E80 S81 T82	S77-E80 PolarHBondContact O-N 2.92Å; S77-S81 WeakPolarHBondContact O-CA 3.5Å; S77-S81 PolarHBondContact O-N 2.85Å; S77-T82 WeakPolarHBondContact CB-OG1 3.34Å; S77-T82 PolarHBondContact N-O 3Å; S77-T82 PolarHBondContact O-N 3.43Å
78	D	86.6	Confident	92	Very high	46 Å²	46	45.9 Å²	45.9	25%	0.246	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-45.7	173.4	-170.2	64.8	0	0	0	114	E80 S81 R115 F116	D78-E80 VanDerWaalsContact C-N 3.34Å; D78-E80 PolarHBondContact O-N 2.9Å; D78-S81 WeakPolarHBondContact O-CA 3.18Å; D78-S81 PolarHBondContact O-N 2.87Å; D78-S81 PolarHBondContact O-OG 3.31Å; D78-R115 PolarHBondContact O-NH1 2.85Å; D78-R115 VanDerWaalsContact O-NH1 3.1Å; D78-R115 IonicContact OD1-CZ 3.04Å; D78-R115 VanDerWaalsContact OD1-CZ 3.31Å; D78-R115 IonicContact OD1-NH1 2.73Å; D78-R115 PolarHBondContact OD1-NH1 3.3Å; D78-R115 IonicContact OD1-NH2 3.94Å; D78-R115 PolarHBondContact OD1-NH2 3.32Å; D78-R115 IonicContact OD2-NH1 3.89Å; D78-R115 IonicContact OD2-NH2 3.92Å; D78-F116 WeakPolarHBondContact OD1-CZ 3.36Å
79	P	87.6	Confident	91.8	Very high	118 Å²	118	46.2 Å²	46.2	77%	0.766	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.1	-178.4	25	-34.5	0	0	0	113	S81	P79-S81 VanDerWaalsContact C-N 3.28Å
80	E	90	Very high	91.1	Very high	139 Å²	139	48.1 Å²	48.1	65%	0.65	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-7.4	174.4	-61.1	-170.8	160	0	0	112.4	S77 D78 T82	S77-E80 PolarHBondContact O-N 2.92Å; D78-E80 VanDerWaalsContact C-N 3.34Å; D78-E80 PolarHBondContact O-N 2.9Å; E80-T82 VanDerWaalsContact C-N 3.28Å; E80-T82 HydrophobicContact CB-CG2 4.03Å; E80-T82 PolarHBondContact O-N 3.17Å
81	S	92	Very high	90.5	Very high	21 Å²	21	47.9 Å²	47.9	15%	0.147	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	50.4	-171	-58	0	0	0	0	111.1	S77 D78 P79 R115 F116 K117	S77-S81 WeakPolarHBondContact O-CA 3.5Å; S77-S81 PolarHBondContact O-N 2.85Å; D78-S81 WeakPolarHBondContact O-CA 3.18Å; D78-S81 PolarHBondContact O-N 2.87Å; D78-S81 PolarHBondContact O-OG 3.31Å; P79-S81 VanDerWaalsContact C-N 3.28Å; S81-R115 VanDerWaalsContact CB-O 3.26Å; S81-R115 WeakPolarHBondContact CB-O 3.5Å; S81-R115 PolarHBondContact OG-NH1 3.24Å; S81-F116 CarbonylContact O-C 3.5Å; S81-F116 VanDerWaalsContact O-CA 3.28Å; S81-F116 WeakPolarHBondContact O-CA 3.38Å; S81-K117 PolarHBondContact O-N 3.16Å
82	T	93.4	Very high	89.4	Confident	48 Å²	48	47.8 Å²	47.8	29%	0.294	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.9	178	58.9	0	0	0	0	110.6	S77 E80 K117	S77-T82 WeakPolarHBondContact CB-OG1 3.34Å; S77-T82 PolarHBondContact N-O 3Å; S77-T82 PolarHBondContact O-N 3.43Å; E80-T82 VanDerWaalsContact C-N 3.28Å; E80-T82 HydrophobicContact CB-CG2 4.03Å; E80-T82 PolarHBondContact O-N 3.17Å; T82-K117 WeakPolarHBondContact CA-O 3.44Å; T82-K117 HydrophobicContact CG2-CB 4.42Å
83	V	95.2	Very high	88.6	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.2	174.4	172.2	0	0	0	0	106.6	I47 Q75 V76 V85 L108 L112 F116 K117 M118 D119	I47-V83 HydrophobicContact CD1-CG1 4.45Å; I47-V83 HydrophobicContact CD1-CG2 4.34Å; I47-V83 HydrophobicContact CG1-CG1 4.22Å; I47-V83 HydrophobicContact CG1-CG2 4.44Å; I47-V83 HydrophobicContact CG2-CG1 3.98Å; Q75-V83 CarbonylContact O-C 3.59Å; Q75-V83 WeakPolarHBondContact O-CA 3.28Å; V76-V83 HydrophobicContact CG1-CG2 4.13Å; V76-V83 HydrophobicContact CG2-CG1 4.48Å; V76-V83 HydrophobicContact CG2-CG2 4.33Å; V83-V85 HydrophobicContact CG1-CG2 4.07Å; V83-L108 HydrophobicContact CG1-CD1 4.34Å; V83-L112 HydrophobicContact CG2-CD1 4.02Å; V83-F116 HydrophobicContact CG2-CD1 3.53Å; V83-F116 HydrophobicContact CG2-CE1 4.05Å; V83-F116 HydrophobicContact CG2-CG 4.27Å; V83-K117 PolarHBondContact N-O 2.87Å; V83-M118 CarbonylContact O-C 3.54Å; V83-M118 WeakPolarHBondContact O-CA 3.36Å; V83-D119 PolarHBondContact O-N 3.27Å
84	A	94.9	Very high	87.6	Confident	23 Å²	23	45.6 Å²	45.6	19%	0.19	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.5	174	0	0	0	0	0	109.6	Q75 D119	Q75-A84 HydrophobicContact CB-CB 4.32Å; Q75-A84 PolarHBondContact N-O 2.96Å; Q75-A84 PolarHBondContact O-N 2.89Å; A84-D119 CarbonylContact C-O 3.55Å; A84-D119 VanDerWaalsContact CA-O 3.31Å; A84-D119 WeakPolarHBondContact CA-O 3.28Å; A84-D119 HydrophobicContact CB-CB 4.38Å
85	V	95.8	Very high	86.7	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118	179.5	179.2	0	0	0	0	109.2	I47 I51 V74 V83 I104 L108 D119 V120 H121	I47-V85 HydrophobicContact CG2-CG2 3.99Å; I51-V85 HydrophobicContact CD1-CG1 3.67Å; I51-V85 HydrophobicContact CD1-CG2 4.41Å; V74-V85 HydrophobicContact CG1-CG2 4.46Å; V74-V85 HydrophobicContact CG2-CG2 4.46Å; V83-V85 HydrophobicContact CG1-CG2 4.07Å; V85-I104 HydrophobicContact CG1-CG2 4.17Å; V85-L108 HydrophobicContact CG2-CD1 3.94Å; V85-D119 PolarHBondContact N-O 3.42Å; V85-V120 WeakPolarHBondContact O-CA 3.49Å; V85-H121 PolarHBondContact O-N 3.26Å
86	A	94.9	Very high	86.3	Confident	13 Å²	13	44.5 Å²	44.5	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.7	169.5	0	0	0	0	0	110.3	R73 H121	R73-A86 HydrophobicContact CB-CB 4.1Å; R73-A86 VanDerWaalsContact CB-O 3.31Å; R73-A86 WeakPolarHBondContact CB-O 3.29Å; R73-A86 WeakPolarHBondContact CD-O 3.31Å; R73-A86 PolarHBondContact O-N 2.81Å; A86-H121 VanDerWaalsContact CA-O 3.29Å; A86-H121 WeakPolarHBondContact CA-O 3.42Å; A86-H121 WeakPolarHBondContact CB-NE2 3.29Å
87	F	94.4	Very high	86.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.9	175.1	73.3	-82.9	0	0	0	111.1	V68 V69 P89 A97 I100 I104 V120 H121 I122 T123 L137	V68-F87 HydrophobicContact CG1-CB 4.15Å; V68-F87 HydrophobicContact CG1-CD2 4.08Å; V68-F87 CarbonylContact O-C 3.51Å; V68-F87 WeakPolarHBondContact O-CA 3.35Å; V68-F87 WeakPolarHBondContact O-CB 3.28Å; V69-F87 HydrophobicContact CG1-CB 4.22Å; F87-P89 HydrophobicContact CD2-CG 4.41Å; F87-P89 HydrophobicContact CE2-CG 4.11Å; F87-A97 WeakPolarHBondContact CE2-O 3.4Å; F87-A97 WeakPolarHBondContact CZ-O 3.35Å; F87-I100 HydrophobicContact CD2-CG2 3.86Å; F87-I100 HydrophobicContact CE2-CB 4.29Å; F87-I100 HydrophobicContact CE2-CG2 3.98Å; F87-I104 HydrophobicContact CB-CD1 3.92Å; F87-I104 HydrophobicContact CD1-CD1 4.16Å; F87-I104 HydrophobicContact CG-CD1 4.02Å; F87-V120 HydrophobicContact CD1-CG1 3.95Å; F87-V120 HydrophobicContact CE1-CG1 3.98Å; F87-H121 WeakPolarHBondContact CD1-O 3.36Å; F87-H121 PolarHBondContact N-O 3.01Å; F87-I122 HydrophobicContact CD2-CG1 4.49Å; F87-I122 HydrophobicContact CE1-CG1 3.78Å; F87-I122 HydrophobicContact CE2-CD1 4.42Å; F87-I122 HydrophobicContact CE2-CG1 3.75Å; F87-I122 HydrophobicContact CZ-CD1 4.12Å; F87-I122 HydrophobicContact CZ-CG1 3.34Å; F87-I122 CarbonylContact O-C 3.55Å; F87-I122 WeakPolarHBondContact O-CA 3.47Å; F87-T123 PolarHBondContact O-N 3.4Å; F87-T123 PolarHBondContact O-OG1 2.83Å; F87-L137 HydrophobicContact CE1-CD1 3.93Å; F87-L137 HydrophobicContact CZ-CD1 4.2Å
88	T	90.7	Very high	86.1	Confident	27 Å²	27	42.8 Å²	42.8	17%	0.166	25%	0.247	C	C	.	.			trans	-116.9	109.5	179.6	-68.6	0	0	0	0	109.2	V68 R73 T123 T126	V68-T88 VanDerWaalsContact CA-O 3.28Å; V68-T88 WeakPolarHBondContact CA-O 3.5Å; V68-T88 WeakPolarHBondContact CG2-O 3.28Å; V68-T88 PolarHBondContact O-N 3.49Å; R73-T88 VanDerWaalsContact CZ-OG1 3.29Å; R73-T88 PolarHBondContact NH1-OG1 2.86Å; T88-T123 VanDerWaalsContact OG1-CB 3.28Å; T88-T123 WeakPolarHBondContact OG1-CB 3.49Å; T88-T123 PolarHBondContact OG1-OG1 3.35Å; T88-T126 HydrophobicContact CG2-CG2 3.88Å
89	P	85.7	Confident	86.2	Confident	6 Å²	6	42 Å²	42	4%	0.039	24%	0.243	C	C	.	.			trans	-55.8	145	172.6	-24.5	35.1	0	0	0	111.1	F87 I91 C94 A97 I122 H127	F87-P89 HydrophobicContact CD2-CG 4.41Å; F87-P89 HydrophobicContact CE2-CG 4.11Å; P89-I91 PolarHBondContact O-N 2.83Å; P89-C94 HydrophobicContact CB-CB 4.18Å; P89-A97 HydrophobicContact CB-CB 4.39Å; P89-A97 HydrophobicContact CG-CB 3.97Å; P89-I122 HydrophobicContact CG-CD1 4.1Å; P89-I122 HydrophobicContact CG-CG1 4.23Å; P89-I122 HydrophobicContact CG-CG2 4.15Å; P89-H127 HydrophobicContact CG-CB 4.19Å
90	T	78.5	Confident	86.4	Confident	42 Å²	42	36.5 Å²	36.5	26%	0.258	21%	0.207	S	C	.	.	S	Bend	trans	-66.2	-26.6	-178	57.8	0	0	0	0	113	N15 L66 V68	N15-T90 WeakPolarHBondContact ND2-CB 3.38Å; N15-T90 PolarHBondContact ND2-OG1 3.17Å; L66-T90 HydrophobicContact CB-CG2 3.9Å; L66-T90 HydrophobicContact CD1-CG2 4.19Å; L66-T90 HydrophobicContact CG-CG2 4.46Å; V68-T90 HydrophobicContact CG2-CG2 3.58Å
91	I	78.4	Confident	86.6	Confident	39 Å²	39	29.9 Å²	29.9	20%	0.2	18%	0.176	C	C	.	.	S	Bend	trans	-136.1	148.7	176.5	61.8	174.1	0	0	0	111.3	E14 N15 P89 H93 C94	E14-I91 HydrophobicContact CB-CD1 3.64Å; N15-I91 HydrophobicContact CB-CG2 4.23Å; P89-I91 PolarHBondContact O-N 2.83Å; I91-H93 PolarHBondContact O-N 3.14Å; I91-H93 VanDerWaalsContact O-N 3.12Å; I91-C94 HydrophobicContact CD1-CB 4.35Å; I91-C94 HydrophobicContact CG1-CB 3.63Å; I91-C94 WeakPolarHBondContact O-CB 3.31Å; I91-C94 PolarHBondContact O-N 2.94Å
92	P	66.9	Low	86.6	Confident	72 Å²	72	29.6 Å²	29.6	47%	0.468	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.5	-172.8	27.1	-35.5	0	0	0	114.9	H127 A128	P92-H127 PolarHBondContact O-CD2 3.04Å; P92-A128 WeakPolarHBondContact O-CB 3.24Å; P92-A128 PolarHBondContact O-N 3.23Å
93	H	72.6	Confident	86.6	Confident	139 Å²	139	27.4 Å²	27.4	64%	0.644	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	13.5	178.7	-61.9	-58.6	0	0	0	113.3	I91 S95	I91-H93 PolarHBondContact O-N 3.14Å; I91-H93 VanDerWaalsContact O-N 3.12Å; H93-S95 PolarHBondContact O-N 3.17Å; H93-S95 VanDerWaalsContact O-N 3.1Å
94	C	72.1	Confident	86.5	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.02	16%	0.159	C	C	.	.			trans	-54.4	117.3	-175.9	-177.1	0	0	0	0	110.7	P89 I91 M96 A97 H127	P89-C94 HydrophobicContact CB-CB 4.18Å; I91-C94 HydrophobicContact CD1-CB 4.35Å; I91-C94 HydrophobicContact CG1-CB 3.63Å; I91-C94 WeakPolarHBondContact O-CB 3.31Å; I91-C94 PolarHBondContact O-N 2.94Å; C94-M96 PolarHBondContact O-N 3.22Å; C94-M96 PolarHBondContact SG-N 3.42Å; C94-M96 VanDerWaalsContact SG-N 3.44Å; C94-A97 HydrophobicContact CB-CB 4.47Å; C94-A97 PolarHBondContact O-N 2.73Å; C94-H127 PolarHBondContact N-NE2 3.28Å; C94-H127 PolarHBondContact O-NE2 3.23Å
95	S	75.1	Confident	86.4	Confident	71 Å²	71	27.3 Å²	27.3	50%	0.497	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.6	175.2	70.1	0	0	0	0	111.7	E14 H93	E14-S95 VanDerWaalsContact CD-OG 3.28Å; E14-S95 VanDerWaalsContact OE2-CB 3.24Å; E14-S95 WeakPolarHBondContact OE2-CB 3.39Å; E14-S95 PolarHBondContact OE2-N 2.62Å; E14-S95 PolarHBondContact OE2-OG 2.8Å; H93-S95 PolarHBondContact O-N 3.17Å; H93-S95 VanDerWaalsContact O-N 3.1Å
96	M	84.9	Confident	86.2	Confident	54 Å²	54	27.6 Å²	27.6	27%	0.266	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.2	-178.4	-56.7	-57.4	166	0	0	114.2	P57 E58 C94 T98 L99 I100	P57-M96 HydrophobicContact CG-CB 3.83Å; P57-M96 HydrophobicContact CG-CG 4.19Å; E58-M96 HydrophobicContact CG-CG 3.76Å; C94-M96 PolarHBondContact O-N 3.22Å; C94-M96 PolarHBondContact SG-N 3.42Å; C94-M96 VanDerWaalsContact SG-N 3.44Å; M96-T98 PolarHBondContact O-N 2.77Å; M96-L99 PolarHBondContact O-N 2.97Å; M96-L99 HydrophobicContact SD-CD1 3.6Å; M96-L99 HydrophobicContact SD-CG 4.46Å; M96-I100 WeakPolarHBondContact O-CG1 3.38Å; M96-I100 PolarHBondContact O-N 2.94Å
97	A	88.8	Confident	86.1	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-38.1	179.4	0	0	0	0	0	112.7	F87 P89 C94 G101 I122	F87-A97 WeakPolarHBondContact CE2-O 3.4Å; F87-A97 WeakPolarHBondContact CZ-O 3.35Å; P89-A97 HydrophobicContact CB-CB 4.39Å; P89-A97 HydrophobicContact CG-CB 3.97Å; C94-A97 HydrophobicContact CB-CB 4.47Å; C94-A97 PolarHBondContact O-N 2.73Å; A97-G101 PolarHBondContact O-N 3.05Å; A97-I122 HydrophobicContact CB-CD1 4.04Å
98	T	89.2	Confident	86	Confident	33 Å²	33	29.2 Å²	29.2	20%	0.202	16%	0.161	C	C	.	.	H	α-helix	trans	-67.2	-40.4	175.2	-55.5	0	0	0	0	111.9	M96 G101 L102	M96-T98 PolarHBondContact O-N 2.77Å; T98-G101 PolarHBondContact O-N 2.85Å; T98-L102 HydrophobicContact CG2-CD1 4.12Å; T98-L102 HydrophobicContact CG2-CG 4.4Å; T98-L102 WeakPolarHBondContact O-CB 3.43Å; T98-L102 VanDerWaalsContact O-CG 3.29Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.4Å
99	L	89.6	Confident	86	Confident	31 Å²	31	33 Å²	33	16%	0.162	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-38.4	178.7	-72.2	-175.9	0	0	0	112.2	M96 L102 S103 L152 V155	M96-L99 PolarHBondContact O-N 2.97Å; M96-L99 HydrophobicContact SD-CD1 3.6Å; M96-L99 HydrophobicContact SD-CG 4.46Å; L99-L102 HydrophobicContact CD2-CD1 4.43Å; L99-L102 PolarHBondContact O-N 3.41Å; L99-S103 WeakPolarHBondContact O-CB 3.42Å; L99-S103 PolarHBondContact O-N 2.96Å; L99-S103 PolarHBondContact O-OG 3.29Å; L99-L152 HydrophobicContact CD2-CD2 4.16Å; L99-V155 HydrophobicContact CD1-CG1 4.24Å
100	I	91.7	Very high	86.3	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-51.1	173.4	-67.6	169.3	0	0	0	109.4	P57 L63 V68 F87 M96 L102 S103 I104	P57-I100 HydrophobicContact CG-CG1 4.24Å; L63-I100 HydrophobicContact CD1-CG2 3.96Å; L63-I100 HydrophobicContact CD2-CG1 4.48Å; L63-I100 HydrophobicContact CD2-CG2 4.01Å; V68-I100 HydrophobicContact CG1-CG2 3.87Å; F87-I100 HydrophobicContact CD2-CG2 3.86Å; F87-I100 HydrophobicContact CE2-CB 4.29Å; F87-I100 HydrophobicContact CE2-CG2 3.98Å; M96-I100 WeakPolarHBondContact O-CG1 3.38Å; M96-I100 PolarHBondContact O-N 2.94Å; I100-L102 VanDerWaalsContact C-N 3.35Å; I100-L102 PolarHBondContact O-N 3.17Å; I100-S103 PolarHBondContact O-N 2.85Å; I100-S103 VanDerWaalsContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 4.07Å; I100-I104 WeakPolarHBondContact O-CG1 3.37Å; I100-I104 PolarHBondContact O-N 3.16Å
101	G	92.8	Very high	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-40.9	178	0	0	0	0	0	113.2	A97 T98 I104 K105	A97-G101 PolarHBondContact O-N 3.05Å; T98-G101 PolarHBondContact O-N 2.85Å; G101-I104 PolarHBondContact O-N 3.38Å; G101-K105 WeakPolarHBondContact O-CB 3.19Å; G101-K105 PolarHBondContact O-N 3.5Å
102	L	92.4	Very high	87.4	Confident	14 Å²	14	40.2 Å²	40.2	7%	0.073	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-43.3	173.8	-76.4	172.2	0	0	0	111.7	T98 L99 I100 K105 V106 L137 V143 A146	T98-L102 HydrophobicContact CG2-CD1 4.12Å; T98-L102 HydrophobicContact CG2-CG 4.4Å; T98-L102 WeakPolarHBondContact O-CB 3.43Å; T98-L102 VanDerWaalsContact O-CG 3.29Å; T98-L102 WeakPolarHBondContact O-CG 3.46Å; T98-L102 PolarHBondContact O-N 3.4Å; L99-L102 HydrophobicContact CD2-CD1 4.43Å; L99-L102 PolarHBondContact O-N 3.41Å; I100-L102 VanDerWaalsContact C-N 3.35Å; I100-L102 PolarHBondContact O-N 3.17Å; L102-K105 PolarHBondContact O-N 2.95Å; L102-V106 VanDerWaalsContact O-CG2 3.28Å; L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 2.83Å; L102-L137 HydrophobicContact CD2-CD2 4.13Å; L102-L137 HydrophobicContact CG-CD2 4.02Å; L102-V143 HydrophobicContact CD2-CB 4.42Å; L102-V143 HydrophobicContact CD2-CG1 4.09Å; L102-V143 HydrophobicContact CD2-CG2 3.97Å; L102-A146 HydrophobicContact CD1-CB 4.43Å
103	S	93	Very high	88.5	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-45.5	178.2	-60.2	0	0	0	0	111.4	L99 I100 K105 V106 K107	L99-S103 WeakPolarHBondContact O-CB 3.42Å; L99-S103 PolarHBondContact O-N 2.96Å; L99-S103 PolarHBondContact O-OG 3.29Å; I100-S103 PolarHBondContact O-N 2.85Å; I100-S103 VanDerWaalsContact O-N 3.16Å; S103-K105 VanDerWaalsContact C-N 3.33Å; S103-K105 PolarHBondContact O-N 2.97Å; S103-V106 PolarHBondContact O-N 3.39Å; S103-K107 WeakPolarHBondContact O-CB 3.34Å; S103-K107 PolarHBondContact O-N 2.86Å
104	I	93.7	Very high	89.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.2	-50.1	172.6	-66.9	167.2	0	0	0	110.1	I51 I54 L63 V69 V85 F87 I100 G101 V106 K107 L108 V120	I51-I104 HydrophobicContact CG2-CG2 4.12Å; I54-I104 HydrophobicContact CD1-CB 4.49Å; I54-I104 HydrophobicContact CD1-CG1 4.03Å; L63-I104 HydrophobicContact CD1-CD1 4.02Å; L63-I104 HydrophobicContact CD1-CG1 3.89Å; V69-I104 HydrophobicContact CG1-CD1 3.86Å; V85-I104 HydrophobicContact CG1-CG2 4.17Å; F87-I104 HydrophobicContact CB-CD1 3.92Å; F87-I104 HydrophobicContact CD1-CD1 4.16Å; F87-I104 HydrophobicContact CG-CD1 4.02Å; I100-I104 HydrophobicContact CG2-CD1 4.07Å; I100-I104 WeakPolarHBondContact O-CG1 3.37Å; I100-I104 PolarHBondContact O-N 3.16Å; G101-I104 PolarHBondContact O-N 3.38Å; I104-V106 PolarHBondContact O-N 3.19Å; I104-K107 WeakPolarHBondContact O-CB 3.22Å; I104-K107 PolarHBondContact O-N 2.97Å; I104-L108 HydrophobicContact CG2-CD1 4.03Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 3.44Å; I104-V120 HydrophobicContact CB-CG1 4.25Å; I104-V120 HydrophobicContact CG2-CG1 3.97Å; I104-V120 HydrophobicContact CG2-CG2 4.05Å
105	K	92.9	Very high	90.2	Very high	24 Å²	24	48.3 Å²	48.3	10%	0.104	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-41.5	-177.2	-163.8	158.2	-173.8	154.1	0	112.6	G101 L102 S103 L109 V120 L137 V143	G101-K105 WeakPolarHBondContact O-CB 3.19Å; G101-K105 PolarHBondContact O-N 3.5Å; L102-K105 PolarHBondContact O-N 2.95Å; S103-K105 VanDerWaalsContact C-N 3.33Å; S103-K105 PolarHBondContact O-N 2.97Å; K105-L109 VanDerWaalsContact O-CB 3.26Å; K105-L109 WeakPolarHBondContact O-CB 3.39Å; K105-L109 PolarHBondContact O-N 3.32Å; K105-V120 HydrophobicContact CB-CG2 4.21Å; K105-V120 HydrophobicContact CG-CG2 4.41Å; K105-L137 PolarHBondContact NZ-O 3.36Å; K105-V143 HydrophobicContact CD-CG1 4.37Å; K105-V143 HydrophobicContact CD-CG2 4.29Å
106	V	92.4	Very high	91	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-40.8	176.5	174.6	0	0	0	0	111.7	L102 S103 I104 L108 L109 R110 L147 V156 L160	L102-V106 VanDerWaalsContact O-CG2 3.28Å; L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 2.83Å; S103-V106 PolarHBondContact O-N 3.39Å; I104-V106 PolarHBondContact O-N 3.19Å; V106-L108 VanDerWaalsContact C-N 3.35Å; V106-L108 PolarHBondContact O-N 2.82Å; V106-L109 PolarHBondContact O-N 3.31Å; V106-R110 HydrophobicContact CG1-CG 4.3Å; V106-R110 WeakPolarHBondContact O-CB 3.37Å; V106-R110 VanDerWaalsContact O-CG 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.5Å; V106-R110 PolarHBondContact O-N 2.92Å; V106-L147 HydrophobicContact CG2-CD1 3.82Å; V106-L147 HydrophobicContact CG2-CD2 3.24Å; V106-L147 HydrophobicContact CG2-CG 4.14Å; V106-V156 HydrophobicContact CB-CG1 4Å; V106-V156 HydrophobicContact CG1-CG1 4.09Å; V106-V156 HydrophobicContact CG2-CG1 4.07Å; V106-L160 HydrophobicContact CB-CD1 4.19Å; V106-L160 HydrophobicContact CG1-CD1 3.66Å
107	K	92.8	Very high	91.4	Very high	48 Å²	48	49.9 Å²	49.9	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-50.3	176.1	-175.5	58	168	-172	0	110.7	L50 I54 S103 I104 R110 S111 L160	L50-K107 WeakPolarHBondContact O-CE 3.39Å; L50-K107 WeakPolarHBondContact O-CG 3.46Å; I54-K107 HydrophobicContact CD1-CB 3.83Å; I54-K107 HydrophobicContact CD1-CG 4.07Å; I54-K107 HydrophobicContact CG1-CG 4.37Å; S103-K107 WeakPolarHBondContact O-CB 3.34Å; S103-K107 PolarHBondContact O-N 2.86Å; I104-K107 WeakPolarHBondContact O-CB 3.22Å; I104-K107 PolarHBondContact O-N 2.97Å; K107-R110 PolarHBondContact O-N 3.05Å; K107-S111 WeakPolarHBondContact O-CB 3.28Å; K107-S111 PolarHBondContact O-N 3.05Å; K107-S111 PolarHBondContact O-OG 2.74Å; K107-L160 HydrophobicContact CB-CD2 3.72Å; K107-L160 HydrophobicContact CD-CD2 4.19Å; K107-L160 HydrophobicContact CG-CD2 4.31Å
108	L	92.1	Very high	91.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-41.2	178.1	-63.4	178	0	0	0	111.8	I47 L50 I51 V83 V85 I104 V106 R110 S111 L112 M118 V120	I47-L108 HydrophobicContact CD1-CD2 4.28Å; I47-L108 HydrophobicContact CG2-CD2 3.92Å; L50-L108 HydrophobicContact CD1-CD2 4.45Å; I51-L108 HydrophobicContact CG2-CD2 3.71Å; I51-L108 HydrophobicContact CG2-CG 4.05Å; V83-L108 HydrophobicContact CG1-CD1 4.34Å; V85-L108 HydrophobicContact CG2-CD1 3.94Å; I104-L108 HydrophobicContact CG2-CD1 4.03Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 3.44Å; V106-L108 VanDerWaalsContact C-N 3.35Å; V106-L108 PolarHBondContact O-N 2.82Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 3.41Å; L108-S111 PolarHBondContact O-N 3.2Å; L108-L112 HydrophobicContact CB-CD1 4.13Å; L108-L112 HydrophobicContact CD2-CD1 4.12Å; L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.37Å; L108-L112 WeakPolarHBondContact O-CG 3.26Å; L108-L112 PolarHBondContact O-N 2.93Å; L108-M118 VanDerWaalsContact C-SD 3.6Å; L108-M118 HydrophobicContact CB-CE 4.48Å; L108-M118 HydrophobicContact CB-CG 4.34Å; L108-M118 HydrophobicContact CB-SD 3.51Å; L108-M118 VanDerWaalsContact CB-SD 3.51Å; L108-V120 HydrophobicContact CD1-CG2 4.45Å
109	L	90.8	Very high	91.8	Very high	106 Å²	106	53 Å²	53	56%	0.555	25%	0.251	S	S	*	.	H	α-helix	trans	-60.3	-35.9	176.7	-169.2	77.2	0	0	0	112.7	K105 V106 M118	K105-L109 VanDerWaalsContact O-CB 3.26Å; K105-L109 WeakPolarHBondContact O-CB 3.39Å; K105-L109 PolarHBondContact O-N 3.32Å; V106-L109 PolarHBondContact O-N 3.31Å; L109-M118 HydrophobicContact CB-SD 4.47Å
110	R	90.6	Very high	92	Very high	170 Å²	170	51.5 Å²	51.5	64%	0.642	24%	0.244	S	C	*	.	H	α-helix	trans	-82.5	-27.3	-179.7	-69.9	175.2	72	167.7	3.6	113.3	V106 K107 L108 N157	V106-R110 HydrophobicContact CG1-CG 4.3Å; V106-R110 WeakPolarHBondContact O-CB 3.37Å; V106-R110 VanDerWaalsContact O-CG 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.5Å; V106-R110 PolarHBondContact O-N 2.92Å; K107-R110 PolarHBondContact O-N 3.05Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 3.41Å; R110-N157 PolarHBondContact NH1-OD1 3.45Å
111	S	90.6	Very high	92.2	Very high	57 Å²	57	53.9 Å²	53.9	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-98.4	-27.7	-174.6	-69.9	0	0	0	0	113.7	K107 L108	K107-S111 WeakPolarHBondContact O-CB 3.28Å; K107-S111 PolarHBondContact O-N 3.05Å; K107-S111 PolarHBondContact O-OG 2.74Å; L108-S111 PolarHBondContact O-N 3.2Å
112	L	90.1	Very high	92.3	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	25%	0.254	C	S	.	.	S	Bend	trans	-99.8	151.6	-176.1	-61.5	177	0	0	0	113.1	I42 I47 L50 V83 L108 F116 M118	I42-L112 HydrophobicContact CD1-CD2 4.07Å; I42-L112 HydrophobicContact CG2-CD2 4.3Å; I47-L112 HydrophobicContact CD1-CD1 3.62Å; I47-L112 HydrophobicContact CD1-CD2 3.48Å; I47-L112 VanDerWaalsContact CD1-CD2 3.48Å; I47-L112 HydrophobicContact CD1-CG 4.06Å; L50-L112 HydrophobicContact CD1-CD2 4.13Å; V83-L112 HydrophobicContact CG2-CD1 4.02Å; L108-L112 HydrophobicContact CB-CD1 4.13Å; L108-L112 HydrophobicContact CD2-CD1 4.12Å; L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.37Å; L108-L112 WeakPolarHBondContact O-CG 3.26Å; L108-L112 PolarHBondContact O-N 2.93Å; L112-F116 HydrophobicContact CB-CD2 4.46Å; L112-M118 HydrophobicContact CB-CE 3.8Å; L112-M118 HydrophobicContact CD1-CE 4.01Å; L112-M118 HydrophobicContact CG-CE 4.47Å
113	P	90.4	Very high	92.3	Very high	65 Å²	65	54.3 Å²	54.3	42%	0.422	26%	0.258	S	S	.	.			trans	-59.6	144	171.1	-22.2	32.8	0	0	0	112.4	R115 F116	P113-R115 HydrophobicContact CB-CG 4.2Å; P113-R115 PolarHBondContact O-N 3.29Å; P113-F116 HydrophobicContact CB-CD2 4.34Å; P113-F116 HydrophobicContact CG-CD2 4.41Å; P113-F116 HydrophobicContact CG-CE2 4.34Å; P113-F116 PolarHBondContact O-N 2.89Å
114	Q	88.6	Confident	92.1	Very high	199 Å²	199	59.1 Å²	59.1	93%	0.93	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-11	-177.3	-66.7	-160.9	4.4	0	0	115.2	F116	Q114-F116 PolarHBondContact O-N 2.91Å
115	R	92.4	Very high	91.9	Very high	119 Å²	119	62.7 Å²	62.7	45%	0.449	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.1	172.9	71.3	-179.4	172.7	97.3	-5.9	112.5	D78 S81 P113	D78-R115 PolarHBondContact O-NH1 2.85Å; D78-R115 VanDerWaalsContact O-NH1 3.1Å; D78-R115 IonicContact OD1-CZ 3.04Å; D78-R115 VanDerWaalsContact OD1-CZ 3.31Å; D78-R115 IonicContact OD1-NH1 2.73Å; D78-R115 PolarHBondContact OD1-NH1 3.3Å; D78-R115 IonicContact OD1-NH2 3.94Å; D78-R115 PolarHBondContact OD1-NH2 3.32Å; D78-R115 IonicContact OD2-NH1 3.89Å; D78-R115 IonicContact OD2-NH2 3.92Å; S81-R115 VanDerWaalsContact CB-O 3.26Å; S81-R115 WeakPolarHBondContact CB-O 3.5Å; S81-R115 PolarHBondContact OG-NH1 3.24Å; P113-R115 HydrophobicContact CB-CG 4.2Å; P113-R115 PolarHBondContact O-N 3.29Å
116	F	92.1	Very high	91.6	Very high	11 Å²	11	63.2 Å²	63.2	5%	0.048	33%	0.331	C	S	.	.			trans	-77.3	126.5	-175.9	-77.6	-85.9	0	0	0	112.8	I42 D78 S81 V83 L112 P113 Q114 M118	I42-F116 HydrophobicContact CB-CZ 4.23Å; I42-F116 HydrophobicContact CD1-CD2 4.34Å; I42-F116 HydrophobicContact CD1-CE2 3.37Å; I42-F116 HydrophobicContact CD1-CZ 3.56Å; I42-F116 HydrophobicContact CG1-CZ 4.45Å; D78-F116 WeakPolarHBondContact OD1-CZ 3.36Å; S81-F116 CarbonylContact O-C 3.5Å; S81-F116 VanDerWaalsContact O-CA 3.28Å; S81-F116 WeakPolarHBondContact O-CA 3.38Å; V83-F116 HydrophobicContact CG2-CD1 3.53Å; V83-F116 HydrophobicContact CG2-CE1 4.05Å; V83-F116 HydrophobicContact CG2-CG 4.27Å; L112-F116 HydrophobicContact CB-CD2 4.46Å; P113-F116 HydrophobicContact CB-CD2 4.34Å; P113-F116 HydrophobicContact CG-CD2 4.41Å; P113-F116 HydrophobicContact CG-CE2 4.34Å; P113-F116 PolarHBondContact O-N 2.89Å; Q114-F116 PolarHBondContact O-N 2.91Å; F116-M118 HydrophobicContact CB-CE 4.23Å
117	K	91.9	Very high	91.5	Very high	147 Å²	147	63.8 Å²	63.8	64%	0.639	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.2	167.9	-63.3	174.4	-174.1	168.2	0	108.3	S81 T82 V83	S81-K117 PolarHBondContact O-N 3.16Å; T82-K117 WeakPolarHBondContact CA-O 3.44Å; T82-K117 HydrophobicContact CG2-CB 4.42Å; V83-K117 PolarHBondContact N-O 2.87Å
118	M	93	Very high	91.2	Very high	28 Å²	28	64.7 Å²	64.7	14%	0.138	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120	-177.5	-56.6	160.8	-154.4	0	0	110.1	V83 L108 L109 L112 F116	V83-M118 CarbonylContact O-C 3.54Å; V83-M118 WeakPolarHBondContact O-CA 3.36Å; L108-M118 VanDerWaalsContact C-SD 3.6Å; L108-M118 HydrophobicContact CB-CE 4.48Å; L108-M118 HydrophobicContact CB-CG 4.34Å; L108-M118 HydrophobicContact CB-SD 3.51Å; L108-M118 VanDerWaalsContact CB-SD 3.51Å; L109-M118 HydrophobicContact CB-SD 4.47Å; L112-M118 HydrophobicContact CB-CE 3.8Å; L112-M118 HydrophobicContact CD1-CE 4.01Å; L112-M118 HydrophobicContact CG-CE 4.47Å; F116-M118 HydrophobicContact CB-CE 4.23Å
119	D	93.8	Very high	91.1	Very high	71 Å²	71	67.9 Å²	67.9	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.5	168.1	-174.4	42	0	0	0	109.7	V83 A84 V85 H121	V83-D119 PolarHBondContact O-N 3.27Å; A84-D119 CarbonylContact C-O 3.55Å; A84-D119 VanDerWaalsContact CA-O 3.31Å; A84-D119 WeakPolarHBondContact CA-O 3.28Å; A84-D119 HydrophobicContact CB-CB 4.38Å; V85-D119 PolarHBondContact N-O 3.42Å; D119-H121 IonicContact OD2-CE1 3.31Å; D119-H121 IonicContact OD2-ND1 3.04Å; D119-H121 PolarHBondContact OD2-ND1 3.25Å
120	V	95	Very high	91.1	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.4	-179.3	-178.2	0	0	0	0	107	V85 F87 I104 K105 L108	V85-V120 WeakPolarHBondContact O-CA 3.49Å; F87-V120 HydrophobicContact CD1-CG1 3.95Å; F87-V120 HydrophobicContact CE1-CG1 3.98Å; I104-V120 HydrophobicContact CB-CG1 4.25Å; I104-V120 HydrophobicContact CG2-CG1 3.97Å; I104-V120 HydrophobicContact CG2-CG2 4.05Å; K105-V120 HydrophobicContact CB-CG2 4.21Å; K105-V120 HydrophobicContact CG-CG2 4.41Å; L108-V120 HydrophobicContact CD1-CG2 4.45Å
121	H	94.7	Very high	91.1	Very high	51 Å²	51	63.2 Å²	63.2	24%	0.236	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.6	-175	59	-100.1	0	0	0	111.8	V85 A86 F87 D119 N134	V85-H121 PolarHBondContact O-N 3.26Å; A86-H121 VanDerWaalsContact CA-O 3.29Å; A86-H121 WeakPolarHBondContact CA-O 3.42Å; A86-H121 WeakPolarHBondContact CB-NE2 3.29Å; F87-H121 WeakPolarHBondContact CD1-O 3.36Å; F87-H121 PolarHBondContact N-O 3.01Å; D119-H121 IonicContact OD2-CE1 3.31Å; D119-H121 IonicContact OD2-ND1 3.04Å; D119-H121 PolarHBondContact OD2-ND1 3.25Å; H121-N134 WeakPolarHBondContact CA-OD1 3.48Å; H121-N134 HydrophobicContact CB-CB 4.46Å
122	I	94.1	Very high	91.1	Very high	0 Å²	0	63 Å²	63	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.2	171.4	-67.2	175.5	0	0	0	109.1	F87 P89 A97 T126 H127 E130 V133 N134	F87-I122 HydrophobicContact CD2-CG1 4.49Å; F87-I122 HydrophobicContact CE1-CG1 3.78Å; F87-I122 HydrophobicContact CE2-CD1 4.42Å; F87-I122 HydrophobicContact CE2-CG1 3.75Å; F87-I122 HydrophobicContact CZ-CD1 4.12Å; F87-I122 HydrophobicContact CZ-CG1 3.34Å; F87-I122 CarbonylContact O-C 3.55Å; F87-I122 WeakPolarHBondContact O-CA 3.47Å; P89-I122 HydrophobicContact CG-CD1 4.1Å; P89-I122 HydrophobicContact CG-CG1 4.23Å; P89-I122 HydrophobicContact CG-CG2 4.15Å; A97-I122 HydrophobicContact CB-CD1 4.04Å; I122-T126 WeakPolarHBondContact CG2-OG1 3.44Å; I122-H127 HydrophobicContact CD1-CB 4.06Å; I122-H127 HydrophobicContact CG2-CB 3.86Å; I122-E130 HydrophobicContact CB-CB 4.26Å; I122-E130 HydrophobicContact CG2-CB 4.07Å; I122-V133 HydrophobicContact CD1-CB 3.72Å; I122-V133 HydrophobicContact CD1-CG1 3.66Å; I122-V133 HydrophobicContact CD1-CG2 4.11Å; I122-V133 HydrophobicContact CG1-CG1 4.35Å; I122-N134 PolarHBondContact N-OD1 3.38Å
123	T	92.8	Very high	91.2	Very high	23 Å²	23	62.8 Å²	62.8	14%	0.141	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.9	128.2	175.3	-58.2	0	0	0	0	109.7	F87 T88 G125 T126	F87-T123 PolarHBondContact O-N 3.4Å; F87-T123 PolarHBondContact O-OG1 2.83Å; T88-T123 VanDerWaalsContact OG1-CB 3.28Å; T88-T123 WeakPolarHBondContact OG1-CB 3.49Å; T88-T123 PolarHBondContact OG1-OG1 3.35Å; T123-G125 PolarHBondContact O-N 3.4Å; T123-T126 HydrophobicContact CG2-CG2 3.93Å; T123-T126 WeakPolarHBondContact O-CB 3.28Å; T123-T126 WeakPolarHBondContact O-CG2 3.29Å; T123-T126 PolarHBondContact O-N 3.01Å; T123-T126 PolarHBondContact O-OG1 3.3Å
124	P	90.5	Very high	91.3	Very high	104 Å²	104	61.4 Å²	61.4	68%	0.675	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	135	-174.3	-27.5	34.6	0	0	0	113.8	T126 E130	P124-T126 VanDerWaalsContact C-N 3.32Å; P124-E130 WeakPolarHBondContact CA-OE2 3.5Å
125	G	88.8	Confident	91.5	Very high	74 Å²	74	59.8 Å²	59.8	76%	0.763	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	5.3	179.1	0	0	0	0	0	114.9	T123 E130	T123-G125 PolarHBondContact O-N 3.4Å; G125-E130 PolarHBondContact N-OE2 3.46Å
126	T	86.8	Confident	91.5	Very high	36 Å²	36	58.1 Å²	58.1	22%	0.221	33%	0.331	C	S	.	.	S	Bend	trans	-99.5	-12.7	-175.6	67.1	0	0	0	0	114.4	T88 I122 T123 P124	T88-T126 HydrophobicContact CG2-CG2 3.88Å; I122-T126 WeakPolarHBondContact CG2-OG1 3.44Å; T123-T126 HydrophobicContact CG2-CG2 3.93Å; T123-T126 WeakPolarHBondContact O-CB 3.28Å; T123-T126 WeakPolarHBondContact O-CG2 3.29Å; T123-T126 PolarHBondContact O-N 3.01Å; T123-T126 PolarHBondContact O-OG1 3.3Å; P124-T126 VanDerWaalsContact C-N 3.32Å
127	H	89.6	Confident	91.5	Very high	17 Å²	17	57.6 Å²	57.6	8%	0.079	33%	0.329	C	S	.	.			trans	-142.3	139.5	-179.9	-166.8	-88.9	0	0	0	112.3	P89 P92 C94 I122 S129 E130	P89-H127 HydrophobicContact CG-CB 4.19Å; P92-H127 PolarHBondContact O-CD2 3.04Å; C94-H127 PolarHBondContact N-NE2 3.28Å; C94-H127 PolarHBondContact O-NE2 3.23Å; I122-H127 HydrophobicContact CD1-CB 4.06Å; I122-H127 HydrophobicContact CG2-CB 3.86Å; H127-S129 PolarHBondContact ND1-N 3.37Å; H127-S129 PolarHBondContact O-N 2.9Å; H127-E130 HydrophobicContact CB-CB 4.26Å; H127-E130 WeakPolarHBondContact O-CB 3.45Å; H127-E130 PolarHBondContact O-N 2.88Å
128	A	87.4	Confident	91.5	Very high	68 Å²	68	53.3 Å²	53.3	56%	0.562	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.7	-176.3	0	0	0	0	0	113.5	P92	P92-A128 WeakPolarHBondContact O-CB 3.24Å; P92-A128 PolarHBondContact O-N 3.23Å
129	S	88.7	Confident	91.5	Very high	66 Å²	66	54.7 Å²	54.7	46%	0.462	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	23.7	-179.1	-59.8	0	0	0	0	112.1	H127 H131 A132 V133	H127-S129 PolarHBondContact ND1-N 3.37Å; H127-S129 PolarHBondContact O-N 2.9Å; S129-H131 VanDerWaalsContact C-N 3.29Å; S129-H131 PolarHBondContact O-N 2.88Å; S129-H131 VanDerWaalsContact O-N 3.16Å; S129-A132 PolarHBondContact O-N 3.43Å; S129-V133 PolarHBondContact O-N 3.12Å
130	E	90.8	Very high	91.2	Very high	31 Å²	31	59 Å²	59	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-50.4	-45.1	-173.7	64.3	177.9	-154.8	0	0	113.2	I122 P124 G125 H127 A132 V133 N134	I122-E130 HydrophobicContact CB-CB 4.26Å; I122-E130 HydrophobicContact CG2-CB 4.07Å; P124-E130 WeakPolarHBondContact CA-OE2 3.5Å; G125-E130 PolarHBondContact N-OE2 3.46Å; H127-E130 HydrophobicContact CB-CB 4.26Å; H127-E130 WeakPolarHBondContact O-CB 3.45Å; H127-E130 PolarHBondContact O-N 2.88Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.48Å; E130-V133 PolarHBondContact O-N 3.41Å; E130-N134 VanDerWaalsContact O-CB 3.25Å; E130-N134 WeakPolarHBondContact O-CB 3.4Å; E130-N134 PolarHBondContact O-N 2.66Å; E130-N134 PolarHBondContact O-ND2 2.93Å; E130-N134 PolarHBondContact O-OD1 3Å
131	H	91	Very high	91.1	Very high	148 Å²	148	67 Å²	67	69%	0.685	38%	0.381	S	S	*	.	H	α-helix	trans	-65.5	-37.9	-178.7	-68	-50.9	0	0	0	112.5	S129 K135	S129-H131 VanDerWaalsContact C-N 3.29Å; S129-H131 PolarHBondContact O-N 2.88Å; S129-H131 VanDerWaalsContact O-N 3.16Å; H131-K135 VanDerWaalsContact O-CB 3.23Å; H131-K135 WeakPolarHBondContact O-CB 3.25Å; H131-K135 PolarHBondContact O-N 3.22Å
132	A	90.7	Very high	90.8	Very high	51 Å²	51	71.8 Å²	71.8	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-69.4	-43.5	178.8	0	0	0	0	0	110.8	S129 E130 K135 Q136	S129-A132 PolarHBondContact O-N 3.43Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.48Å; A132-K135 PolarHBondContact O-N 3.42Å; A132-Q136 WeakPolarHBondContact O-CG 3.31Å; A132-Q136 PolarHBondContact O-N 3.06Å
133	V	91.4	Very high	90.6	Very high	8 Å²	8	72.4 Å²	72.4	5%	0.048	40%	0.401	C	S	.	.	H	α-helix	trans	-65.6	-48	177.4	179.3	0	0	0	0	110.6	I122 S129 E130 K135 Q136 L137	I122-V133 HydrophobicContact CD1-CB 3.72Å; I122-V133 HydrophobicContact CD1-CG1 3.66Å; I122-V133 HydrophobicContact CD1-CG2 4.11Å; I122-V133 HydrophobicContact CG1-CG1 4.35Å; S129-V133 PolarHBondContact O-N 3.12Å; E130-V133 PolarHBondContact O-N 3.41Å; V133-K135 VanDerWaalsContact C-N 3.28Å; V133-K135 PolarHBondContact O-N 2.86Å; V133-Q136 WeakPolarHBondContact O-CB 3.4Å; V133-Q136 PolarHBondContact O-N 3.45Å; V133-L137 HydrophobicContact CG1-CD1 3.87Å; V133-L137 HydrophobicContact CG1-CG 4.24Å; V133-L137 WeakPolarHBondContact O-CG 3.45Å; V133-L137 PolarHBondContact O-N 3.38Å
134	N	93.7	Very high	90.3	Very high	37 Å²	37	73.6 Å²	73.6	20%	0.198	41%	0.413	C	S	.	.	H	α-helix	trans	-59.2	-40.2	178.2	-68.2	-8.4	0	0	0	111.5	H121 I122 E130 L137 A138	H121-N134 WeakPolarHBondContact CA-OD1 3.48Å; H121-N134 HydrophobicContact CB-CB 4.46Å; I122-N134 PolarHBondContact N-OD1 3.38Å; E130-N134 VanDerWaalsContact O-CB 3.25Å; E130-N134 WeakPolarHBondContact O-CB 3.4Å; E130-N134 PolarHBondContact O-N 2.66Å; E130-N134 PolarHBondContact O-ND2 2.93Å; E130-N134 PolarHBondContact O-OD1 3Å; N134-L137 PolarHBondContact O-N 3.34Å; N134-A138 VanDerWaalsContact O-CB 3.31Å; N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 3.44Å
135	K	92.8	Very high	90.3	Very high	165 Å²	165	71.4 Å²	71.4	72%	0.717	40%	0.404	S	S	*	.	H	α-helix	trans	-64	-40.7	175.1	-173.3	176.4	-178.4	178.8	0	112.3	H131 A132 V133 D139	H131-K135 VanDerWaalsContact O-CB 3.23Å; H131-K135 WeakPolarHBondContact O-CB 3.25Å; H131-K135 PolarHBondContact O-N 3.22Å; A132-K135 PolarHBondContact O-N 3.42Å; V133-K135 VanDerWaalsContact C-N 3.28Å; V133-K135 PolarHBondContact O-N 2.86Å; K135-D139 PolarHBondContact O-N 2.81Å
136	Q	91.3	Very high	90.2	Very high	83 Å²	83	68.8 Å²	68.8	39%	0.388	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-43.1	175.7	-72.5	176.6	10.7	0	0	111.7	A132 V133 A138 D139	A132-Q136 WeakPolarHBondContact O-CG 3.31Å; A132-Q136 PolarHBondContact O-N 3.06Å; V133-Q136 WeakPolarHBondContact O-CB 3.4Å; V133-Q136 PolarHBondContact O-N 3.45Å; Q136-A138 VanDerWaalsContact C-N 3.35Å; Q136-D139 PolarHBondContact O-N 2.89Å
137	L	92.2	Very high	90.2	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-67.5	-34.8	178.7	-66.8	174.2	0	0	0	111.9	F87 L102 K105 V133 N134 D139	F87-L137 HydrophobicContact CE1-CD1 3.93Å; F87-L137 HydrophobicContact CZ-CD1 4.2Å; L102-L137 HydrophobicContact CD2-CD2 4.13Å; L102-L137 HydrophobicContact CG-CD2 4.02Å; K105-L137 PolarHBondContact NZ-O 3.36Å; V133-L137 HydrophobicContact CG1-CD1 3.87Å; V133-L137 HydrophobicContact CG1-CG 4.24Å; V133-L137 WeakPolarHBondContact O-CG 3.45Å; V133-L137 PolarHBondContact O-N 3.38Å; N134-L137 PolarHBondContact O-N 3.34Å; L137-D139 VanDerWaalsContact C-N 3.33Å
138	A	92.4	Very high	90.2	Very high	58 Å²	58	75.8 Å²	75.8	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-71.7	-24.9	178	0	0	0	0	0	113.6	N134 Q136 K140	N134-A138 VanDerWaalsContact O-CB 3.31Å; N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 3.44Å; Q136-A138 VanDerWaalsContact C-N 3.35Å; A138-K140 PolarHBondContact O-N 3.47Å
139	D	92.9	Very high	90.3	Very high	56 Å²	56	76.3 Å²	76.3	30%	0.299	40%	0.4	S	S	.	.			trans	-77.9	103.5	-179.2	-174.5	-29.7	0	0	0	111.1	K135 Q136 L137 E141 R142 V143	K135-D139 PolarHBondContact O-N 2.81Å; Q136-D139 PolarHBondContact O-N 2.89Å; L137-D139 VanDerWaalsContact C-N 3.33Å; D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 PolarHBondContact O-N 3.15Å; D139-E141 PolarHBondContact OD1-N 3.24Å; D139-R142 HydrophobicContact CB-CB 3.95Å; D139-R142 HydrophobicContact CB-CG 4.09Å; D139-R142 VanDerWaalsContact CG-CG 3.46Å; D139-R142 PolarHBondContact O-N 2.84Å; D139-R142 PolarHBondContact OD1-N 3.45Å; D139-R142 WeakPolarHBondContact OD2-CD 3.31Å; D139-R142 WeakPolarHBondContact OD2-CG 3.4Å; D139-R142 IonicContact OD2-NE 3.35Å; D139-R142 PolarHBondContact OD2-NE 3Å; D139-V143 WeakPolarHBondContact O-CG2 3.29Å; D139-V143 PolarHBondContact O-N 3.3Å
140	K	88.1	Confident	90.4	Very high	162 Å²	162	77.8 Å²	77.8	70%	0.704	41%	0.407	S	S	*	.	H	α-helix	trans	-63.4	-34.7	-177.2	-65.1	-177.3	179.6	-177.8	0	113.1	A138 A144	A138-K140 PolarHBondContact O-N 3.47Å; K140-A144 VanDerWaalsContact O-CB 3.31Å; K140-A144 WeakPolarHBondContact O-CB 3.3Å; K140-A144 PolarHBondContact O-N 3Å
141	E	92.3	Very high	90.2	Very high	168 Å²	168	82.1 Å²	82.1	79%	0.785	43%	0.427	S	S	*	.	H	α-helix	trans	-71	-41	179.9	-63.5	-167.5	119.8	0	0	110.2	D139 A144 A145	D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 PolarHBondContact O-N 3.15Å; D139-E141 PolarHBondContact OD1-N 3.24Å; E141-A144 PolarHBondContact O-N 3.05Å; E141-A145 WeakPolarHBondContact O-CB 3.48Å; E141-A145 PolarHBondContact O-N 3.05Å
142	R	88.9	Confident	90.1	Very high	152 Å²	152	77.6 Å²	77.6	57%	0.574	41%	0.407	S	S	*	.	H	α-helix	trans	-63.5	-43.7	173.3	-75	-179.2	178.1	-101.2	-5.4	112.6	D139 A145 A146	D139-R142 HydrophobicContact CB-CB 3.95Å; D139-R142 HydrophobicContact CB-CG 4.09Å; D139-R142 VanDerWaalsContact CG-CG 3.46Å; D139-R142 PolarHBondContact O-N 2.84Å; D139-R142 PolarHBondContact OD1-N 3.45Å; D139-R142 WeakPolarHBondContact OD2-CD 3.31Å; D139-R142 WeakPolarHBondContact OD2-CG 3.4Å; D139-R142 IonicContact OD2-NE 3.35Å; D139-R142 PolarHBondContact OD2-NE 3Å; R142-A145 PolarHBondContact O-N 3.28Å; R142-A146 WeakPolarHBondContact O-CB 3.42Å; R142-A146 PolarHBondContact O-N 2.9Å
143	V	88.8	Confident	89.9	Confident	13 Å²	13	78 Å²	78	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-62.3	-46.4	176.7	172.6	0	0	0	0	109.9	L102 K105 D139 A145 A146 L147	L102-V143 HydrophobicContact CD2-CB 4.42Å; L102-V143 HydrophobicContact CD2-CG1 4.09Å; L102-V143 HydrophobicContact CD2-CG2 3.97Å; K105-V143 HydrophobicContact CD-CG1 4.37Å; K105-V143 HydrophobicContact CD-CG2 4.29Å; D139-V143 WeakPolarHBondContact O-CG2 3.29Å; D139-V143 PolarHBondContact O-N 3.3Å; V143-A145 PolarHBondContact O-N 3.1Å; V143-A146 WeakPolarHBondContact O-CB 3.35Å; V143-A146 PolarHBondContact O-N 3.37Å; V143-L147 HydrophobicContact CG1-CD1 4.2Å; V143-L147 WeakPolarHBondContact O-CG 3.42Å; V143-L147 PolarHBondContact O-N 3.03Å; V143-L147 VanDerWaalsContact O-N 3.09Å
144	A	88.1	Confident	89.8	Confident	48 Å²	48	82.5 Å²	82.5	40%	0.397	42%	0.422	S	S	.	.	H	α-helix	trans	-58.9	-48.3	177.3	0	0	0	0	0	111.9	K140 E141 A146 L147 E148	K140-A144 VanDerWaalsContact O-CB 3.31Å; K140-A144 WeakPolarHBondContact O-CB 3.3Å; K140-A144 PolarHBondContact O-N 3Å; E141-A144 PolarHBondContact O-N 3.05Å; A144-A146 VanDerWaalsContact C-N 3.29Å; A144-A146 PolarHBondContact O-N 3.33Å; A144-L147 PolarHBondContact O-N 3.07Å; A144-E148 PolarHBondContact O-N 3.39Å; A144-E148 VanDerWaalsContact O-N 3.1Å
145	A	89.4	Confident	89.6	Confident	58 Å²	58	82.3 Å²	82.3	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-61.4	-35.5	177.2	0	0	0	0	0	112.8	E141 R142 V143 L147 E148 N149	E141-A145 WeakPolarHBondContact O-CB 3.48Å; E141-A145 PolarHBondContact O-N 3.05Å; R142-A145 PolarHBondContact O-N 3.28Å; V143-A145 PolarHBondContact O-N 3.1Å; A145-L147 VanDerWaalsContact C-N 3.29Å; A145-L147 PolarHBondContact O-N 2.96Å; A145-E148 PolarHBondContact O-N 2.57Å; A145-N149 PolarHBondContact O-N 2.97Å
146	A	87	Confident	89.4	Confident	20 Å²	20	74.5 Å²	74.5	17%	0.165	39%	0.389	C	S	.	.	H	α-helix	trans	-66	-32.4	174.6	0	0	0	0	0	112.3	L102 R142 V143 A144 N149 L152	L102-A146 HydrophobicContact CD1-CB 4.43Å; R142-A146 WeakPolarHBondContact O-CB 3.42Å; R142-A146 PolarHBondContact O-N 2.9Å; V143-A146 WeakPolarHBondContact O-CB 3.35Å; V143-A146 PolarHBondContact O-N 3.37Å; A144-A146 VanDerWaalsContact C-N 3.29Å; A144-A146 PolarHBondContact O-N 3.33Å; A146-N149 WeakPolarHBondContact O-CB 3.23Å; A146-N149 PolarHBondContact O-N 3.35Å; A146-L152 HydrophobicContact CB-CD1 4.1Å
147	L	85.8	Confident	89.3	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.199	39%	0.386	C	S	.	.	H	α-helix	trans	-80.1	-19	177.5	-61.2	176.6	0	0	0	113.7	V106 V143 A144 A145 N149 L153	V106-L147 HydrophobicContact CG2-CD1 3.82Å; V106-L147 HydrophobicContact CG2-CD2 3.24Å; V106-L147 HydrophobicContact CG2-CG 4.14Å; V143-L147 HydrophobicContact CG1-CD1 4.2Å; V143-L147 WeakPolarHBondContact O-CG 3.42Å; V143-L147 PolarHBondContact O-N 3.03Å; V143-L147 VanDerWaalsContact O-N 3.09Å; A144-L147 PolarHBondContact O-N 3.07Å; A145-L147 VanDerWaalsContact C-N 3.29Å; A145-L147 PolarHBondContact O-N 2.96Å; L147-N149 VanDerWaalsContact C-N 3.28Å; L147-L153 HydrophobicContact CD2-CD1 4.17Å
148	E	89.7	Confident	89.1	Confident	162 Å²	162	79.3 Å²	79.3	76%	0.757	41%	0.413	S	S	*	.	H	α-helix	trans	-77.1	-17.1	169.4	-68.4	-178.4	172.7	0	0	112.4	A144 A145 T150	A144-E148 PolarHBondContact O-N 3.39Å; A144-E148 VanDerWaalsContact O-N 3.1Å; A145-E148 PolarHBondContact O-N 2.57Å; E148-T150 PolarHBondContact O-N 2.84Å
149	N	90.1	Very high	88.9	Confident	78 Å²	78	76.8 Å²	76.8	42%	0.417	39%	0.392	S	S	.	.			trans	-77.8	109.1	174.1	-173.9	-37.1	0	0	0	110.2	A145 A146 L147 H151 L152 L153	A145-N149 PolarHBondContact O-N 2.97Å; A146-N149 WeakPolarHBondContact O-CB 3.23Å; A146-N149 PolarHBondContact O-N 3.35Å; L147-N149 VanDerWaalsContact C-N 3.28Å; N149-H151 PolarHBondContact O-N 3.47Å; N149-H151 VanDerWaalsContact O-N 3.16Å; N149-H151 WeakPolarHBondContact OD1-CB 3.34Å; N149-H151 PolarHBondContact OD1-N 3.44Å; N149-L152 HydrophobicContact CB-CB 4.21Å; N149-L152 HydrophobicContact CB-CD1 4.06Å; N149-L152 HydrophobicContact CB-CG 4.18Å; N149-L152 PolarHBondContact O-N 2.91Å; N149-L152 VanDerWaalsContact O-N 3.16Å; N149-L152 PolarHBondContact OD1-N 3.4Å; N149-L153 WeakPolarHBondContact O-CB 3.24Å; N149-L153 PolarHBondContact O-N 2.91Å
150	T	90	Very high	88.8	Confident	98 Å²	98	75.3 Å²	75.3	60%	0.601	38%	0.384	S	S	*	.	H	α-helix	trans	-51.4	-41.3	-178.8	-44.7	0	0	0	0	113.1	E148 L153 E154	E148-T150 PolarHBondContact O-N 2.84Å; T150-L153 PolarHBondContact O-N 3.09Å; T150-E154 WeakPolarHBondContact O-CB 3.2Å; T150-E154 VanDerWaalsContact O-CG 3.28Å; T150-E154 WeakPolarHBondContact O-CG 3.33Å; T150-E154 PolarHBondContact O-N 3.21Å
151	H	88.1	Confident	88.6	Confident	122 Å²	122	70.6 Å²	70.6	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-68.4	-44.9	-177.7	-176.7	57.8	0	0	0	112.1	N149 L153 E154 V155	N149-H151 PolarHBondContact O-N 3.47Å; N149-H151 VanDerWaalsContact O-N 3.16Å; N149-H151 WeakPolarHBondContact OD1-CB 3.34Å; N149-H151 PolarHBondContact OD1-N 3.44Å; H151-L153 VanDerWaalsContact C-N 3.33Å; H151-E154 PolarHBondContact O-N 2.93Å; H151-V155 WeakPolarHBondContact O-CG2 3.39Å; H151-V155 PolarHBondContact O-N 3.39Å; H151-V155 VanDerWaalsContact O-N 3.15Å
152	L	87.4	Confident	87.3	Confident	53 Å²	53	66.6 Å²	66.6	28%	0.277	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-41.5	176.2	-66.7	179.7	0	0	0	110.9	L99 A146 N149 E154 V155 V156	L99-L152 HydrophobicContact CD2-CD2 4.16Å; A146-L152 HydrophobicContact CB-CD1 4.1Å; N149-L152 HydrophobicContact CB-CB 4.21Å; N149-L152 HydrophobicContact CB-CD1 4.06Å; N149-L152 HydrophobicContact CB-CG 4.18Å; N149-L152 PolarHBondContact O-N 2.91Å; N149-L152 VanDerWaalsContact O-N 3.16Å; N149-L152 PolarHBondContact OD1-N 3.4Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.24Å; L152-V155 PolarHBondContact O-N 3.37Å; L152-V156 WeakPolarHBondContact O-CB 3.33Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.31Å; L152-V156 PolarHBondContact O-N 3.1Å
153	L	88.2	Confident	85.9	Confident	59 Å²	59	67.6 Å²	67.6	31%	0.309	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-37.9	178.3	-173	65.2	0	0	0	111.9	L147 N149 T150 H151 N157	L147-L153 HydrophobicContact CD2-CD1 4.17Å; N149-L153 WeakPolarHBondContact O-CB 3.24Å; N149-L153 PolarHBondContact O-N 2.91Å; T150-L153 PolarHBondContact O-N 3.09Å; H151-L153 VanDerWaalsContact C-N 3.33Å; L153-N157 VanDerWaalsContact O-CB 3.29Å; L153-N157 WeakPolarHBondContact O-CB 3.47Å; L153-N157 VanDerWaalsContact O-CG 3.26Å; L153-N157 PolarHBondContact O-N 3.02Å; L153-N157 PolarHBondContact O-ND2 3.33Å
154	E	89.4	Confident	83.6	Confident	102 Å²	102	76.5 Å²	76.5	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-49.5	173.1	-79.4	171.6	179.9	0	0	111.7	T150 H151 L152 V156 N157 Q158	T150-E154 WeakPolarHBondContact O-CB 3.2Å; T150-E154 VanDerWaalsContact O-CG 3.28Å; T150-E154 WeakPolarHBondContact O-CG 3.33Å; T150-E154 PolarHBondContact O-N 3.21Å; H151-E154 PolarHBondContact O-N 2.93Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.24Å; E154-V156 PolarHBondContact O-N 3.47Å; E154-N157 PolarHBondContact O-N 3.28Å; E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.49Å; E154-Q158 PolarHBondContact O-N 3.3Å
155	V	87.9	Confident	83.3	Confident	33 Å²	33	77.9 Å²	77.9	20%	0.2	43%	0.43	C	S	.	.	H	α-helix	trans	-62.5	-43.5	178.7	176.8	0	0	0	0	110.9	L99 H151 L152 Q158 C159	L99-V155 HydrophobicContact CD1-CG1 4.24Å; H151-V155 WeakPolarHBondContact O-CG2 3.39Å; H151-V155 PolarHBondContact O-N 3.39Å; H151-V155 VanDerWaalsContact O-N 3.15Å; L152-V155 PolarHBondContact O-N 3.37Å; V155-Q158 WeakPolarHBondContact O-CB 3.28Å; V155-Q158 PolarHBondContact O-N 3.43Å; V155-C159 PolarHBondContact O-N 3.46Å; V155-C159 PolarHBondContact O-SG 3.02Å
156	V	89.7	Confident	83	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.012	43%	0.427	C	S	.	.	H	α-helix	trans	-61.1	-47.5	174.9	169.8	0	0	0	0	110.5	V106 L152 E154 Q158 C159 L160	V106-V156 HydrophobicContact CB-CG1 4Å; V106-V156 HydrophobicContact CG1-CG1 4.09Å; V106-V156 HydrophobicContact CG2-CG1 4.07Å; L152-V156 WeakPolarHBondContact O-CB 3.33Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.31Å; L152-V156 PolarHBondContact O-N 3.1Å; E154-V156 PolarHBondContact O-N 3.47Å; V156-Q158 VanDerWaalsContact C-N 3.25Å; V156-Q158 PolarHBondContact O-N 2.92Å; V156-C159 WeakPolarHBondContact O-CA 3.45Å; V156-C159 WeakPolarHBondContact O-CB 3.47Å; V156-C159 PolarHBondContact O-N 3.16Å; V156-L160 HydrophobicContact CG1-CD1 3.95Å; V156-L160 HydrophobicContact CG1-CG 4.19Å; V156-L160 VanDerWaalsContact O-CG 3.28Å; V156-L160 WeakPolarHBondContact O-CG 3.36Å; V156-L160 PolarHBondContact O-N 3.28Å
157	N	89.3	Confident	82.8	Confident	60 Å²	60	82.2 Å²	82.2	32%	0.321	44%	0.442	S	S	.	.	H	α-helix	trans	-62	-32.6	178	-78.6	-43.2	0	0	0	112.9	R110 L153 E154 L160 S161	R110-N157 PolarHBondContact NH1-OD1 3.45Å; L153-N157 VanDerWaalsContact O-CB 3.29Å; L153-N157 WeakPolarHBondContact O-CB 3.47Å; L153-N157 VanDerWaalsContact O-CG 3.26Å; L153-N157 PolarHBondContact O-N 3.02Å; L153-N157 PolarHBondContact O-ND2 3.33Å; E154-N157 PolarHBondContact O-N 3.28Å; N157-L160 CarbonylContact O-C 3.54Å; N157-L160 PolarHBondContact O-N 2.84Å; N157-S161 WeakPolarHBondContact O-CB 3.43Å; N157-S161 PolarHBondContact O-N 3.29Å
158	Q	88.2	Confident	82.6	Confident	124 Å²	124	84.8 Å²	84.8	58%	0.579	46%	0.456	S	S	*	.	H	α-helix	trans	-63.3	-45.7	171.9	-71.6	169.3	17.2	0	0	110.7	E154 V155 V156 L160 S161	E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.49Å; E154-Q158 PolarHBondContact O-N 3.3Å; V155-Q158 WeakPolarHBondContact O-CB 3.28Å; V155-Q158 PolarHBondContact O-N 3.43Å; V156-Q158 VanDerWaalsContact C-N 3.25Å; V156-Q158 PolarHBondContact O-N 2.92Å; Q158-L160 PolarHBondContact O-N 3.13Å; Q158-S161 PolarHBondContact O-N 3.2Å; Q158-S161 PolarHBondContact O-OG 3.16Å
159	C	88.5	Confident	82.2	Confident	5 Å²	5	80 Å²	80	3%	0.034	44%	0.438	C	S	.	.	H	α-helix	trans	-60.1	-37	175.2	-59	0	0	0	0	111.6	I54 N55 V155 V156	I54-C159 HydrophobicContact CG2-CB 4.2Å; N55-C159 PolarHBondContact N-O 2.9Å; N55-C159 PolarHBondContact ND2-O 3.1Å; N55-C159 WeakPolarHBondContact O-CB 3.36Å; V155-C159 PolarHBondContact O-N 3.46Å; V155-C159 PolarHBondContact O-SG 3.02Å; V156-C159 WeakPolarHBondContact O-CA 3.45Å; V156-C159 WeakPolarHBondContact O-CB 3.47Å; V156-C159 PolarHBondContact O-N 3.16Å
160	L	89.1	Confident	81.6	Confident	24 Å²	24	80.1 Å²	80.1	13%	0.126	44%	0.439	C	S	.	.	H	α-helix	trans	-81.4	-12.2	179.7	-61.2	-174.7	0	0	0	114.8	I54 V106 K107 V156 N157 Q158 A162	I54-L160 HydrophobicContact CD1-CD2 4.03Å; I54-L160 HydrophobicContact CG1-CD2 3.87Å; I54-L160 HydrophobicContact CG2-CD2 4.31Å; V106-L160 HydrophobicContact CB-CD1 4.19Å; V106-L160 HydrophobicContact CG1-CD1 3.66Å; K107-L160 HydrophobicContact CB-CD2 3.72Å; K107-L160 HydrophobicContact CD-CD2 4.19Å; K107-L160 HydrophobicContact CG-CD2 4.31Å; V156-L160 HydrophobicContact CG1-CD1 3.95Å; V156-L160 HydrophobicContact CG1-CG 4.19Å; V156-L160 VanDerWaalsContact O-CG 3.28Å; V156-L160 WeakPolarHBondContact O-CG 3.36Å; V156-L160 PolarHBondContact O-N 3.28Å; N157-L160 CarbonylContact O-C 3.54Å; N157-L160 PolarHBondContact O-N 2.84Å; Q158-L160 PolarHBondContact O-N 3.13Å; L160-A162 PolarHBondContact O-N 3.27Å
161	S	85.4	Confident	81	Confident	64 Å²	64	78.9 Å²	78.9	45%	0.448	43%	0.427	S	S	.	.	S	Bend	trans	-74.5	116.1	-179.7	65.5	0	0	0	0	109.3	N55 N157 Q158 R163	N55-S161 PolarHBondContact ND2-O 3.32Å; N157-S161 WeakPolarHBondContact O-CB 3.43Å; N157-S161 PolarHBondContact O-N 3.29Å; Q158-S161 PolarHBondContact O-N 3.2Å; Q158-S161 PolarHBondContact O-OG 3.16Å; S161-R163 PolarHBondContact O-N 3.49Å; S161-R163 VanDerWaalsContact O-N 3.14Å
162	A	64.8	Low	80.5	Confident	83 Å²	83	75.5 Å²	75.5	69%	0.686	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-61.6	119.7	171.5	0	0	0	0	0	107.1	L160	L160-A162 PolarHBondContact O-N 3.27Å
163	R	59.6	Low	79.9	Confident	174 Å²	174	77.4 Å²	77.4	66%	0.657	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-64.6	127.5	168.5	-78.8	-173.9	-178.2	-160.2	2.1	107.2	S161	S161-R163 PolarHBondContact O-N 3.49Å; S161-R163 VanDerWaalsContact O-N 3.14Å
164	P	39.1	Very low	79.2	Confident	199 Å²	199	79.1 Å²	79.1	100%	1.292	44%	0.439	S	S	*	.			trans	-64.5	0	-179.5	28.3	-35	0	0	0	112.3

Retrieved 164 of 164 residues in 51.5 ms (Link to these results)

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