A0A087Y6B9_POEFO Loading...

Acyl-coenzyme A thioesterase 11

Has an acyl-CoA thioesterase activity with a preference for the long chain fatty acyl-CoA thioesters hexadecanoyl-CoA/palmitoyl-CoA and tetradecanoyl-CoA/myristoyl-CoA which are the main substrates in the mitochondrial beta-oxidation pathway.

AlphaFold DB , UniProt , Accession A0A087Y6B9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 608 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	28.7	Very low	227 Å²	227	142.5 Å²	142.5	100%	1.118	74%	0.742	S	S	*	*				0	48.8	0	-72.4	177	164.6	0	0	109.6
2	T	30.6	Very low	28.7	Very low	132 Å²	132	145.2 Å²	145.2	81%	0.81	75%	0.748	S	S	*	*			trans	-138.8	18.7	-166.9	-0.1	0	0	0	0	111.6
3	T	28	Very low	28.8	Very low	119 Å²	119	144 Å²	144	73%	0.73	74%	0.744	S	S	*	*	S	Bend	trans	-129.4	4.6	-175	17.6	0	0	0	0	112.9
4	Q	28	Very low	28.9	Very low	158 Å²	158	143.6 Å²	143.6	74%	0.738	74%	0.737	S	S	*	*	S	Bend	trans	-109.3	-9.3	178.7	-85.2	176.5	-33.3	0	0	114.3
5	V	29.5	Very low	29.1	Very low	111 Å²	111	146.3 Å²	146.3	67%	0.673	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-4.1	-178	-173.2	0	0	0	0	112.3
6	L	28.4	Very low	29.2	Very low	146 Å²	146	146.3 Å²	146.3	76%	0.764	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-13.5	178.6	-127	94	0	0	0	113.6
7	D	25.8	Very low	29.7	Very low	104 Å²	104	143.4 Å²	143.4	56%	0.556	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-32.3	176.3	-79.4	-23.2	0	0	0	111.5	L9 K10	D7-L9 PolarHBondContact O-N 3.27Å; D7-K10 PolarHBondContact O-N 3.13Å; D7-K10 VanDerWaalsContact O-N 3.13Å
8	D	25.8	Very low	29.9	Very low	110 Å²	110	144.4 Å²	144.4	59%	0.588	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-6.9	-179.8	-64.8	-7.1	0	0	0	115.4
9	L	30.1	Very low	30.2	Very low	150 Å²	150	142.6 Å²	142.6	79%	0.785	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	6.5	176.4	-74.1	170.4	0	0	0	113.4	D7	D7-L9 PolarHBondContact O-N 3.27Å
10	K	28	Very low	30.5	Very low	168 Å²	168	144.1 Å²	144.1	73%	0.73	72%	0.723	S	S	*	*	S	Bend	trans	-108.1	-9.1	174.2	-84.9	-178.3	177.2	173.3	0	114.2	D7	D7-K10 PolarHBondContact O-N 3.13Å; D7-K10 VanDerWaalsContact O-N 3.13Å
11	E	25.1	Very low	30.9	Very low	142 Å²	142	147 Å²	147	66%	0.664	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-88.2	-4	-174	-70.6	-175.1	164.6	0	0	114.6	D13	E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 2.86Å
12	E	28.6	Very low	31.1	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-82.7	-0.9	179.3	-72.3	-173.1	167.1	0	0	115
13	D	30.1	Very low	31.6	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-104	6.5	177.9	-84.2	-31.7	0	0	0	112.9	E11 E15 K404	E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 2.86Å; D13-E15 PolarHBondContact O-N 3.49Å; D13-K404 IonicContact OD1-NZ 3.49Å; D13-K404 IonicContact OD2-NZ 2.72Å; D13-K404 PolarHBondContact OD2-NZ 3.43Å
14	E	30.1	Very low	32.8	Very low	138 Å²	138	137.5 Å²	137.5	65%	0.645	71%	0.706	S	S	*	*			trans	-94.9	68.2	166.6	-70.7	-176.3	-175.4	0	0	109.7	E16	E14-E16 PolarHBondContact O-N 3.22Å
15	E	31.8	Very low	34.5	Very low	185 Å²	185	131 Å²	131	86%	0.864	68%	0.677	S	S	*	*			trans	-65.3	92.1	150.5	-79.6	-175.9	172.9	0	0	105.9	D13 E17	D13-E15 PolarHBondContact O-N 3.49Å; E15-E17 PolarHBondContact O-N 3.28Å; E15-E17 VanDerWaalsContact O-N 3.12Å
16	E	31.3	Very low	36.4	Very low	146 Å²	146	131 Å²	131	68%	0.682	68%	0.679	S	S	*	*			trans	-44.5	118.9	168.4	-70.4	-177.9	150.1	0	0	108	E14 E18	E14-E16 PolarHBondContact O-N 3.22Å; E16-E18 HydrophobicContact CB-CG 4.31Å; E16-E18 PolarHBondContact O-N 2.8Å
17	E	37	Very low	38.8	Very low	97 Å²	97	124.5 Å²	124.5	45%	0.453	65%	0.645	S	S	.	*			trans	-67.8	73.3	159.4	-70.2	-163	165	0	0	106.6	E15 D19 R94	E15-E17 PolarHBondContact O-N 3.28Å; E15-E17 VanDerWaalsContact O-N 3.12Å; E17-D19 PolarHBondContact O-N 3.38Å; E17-R94 IonicContact OE2-CZ 3.12Å; E17-R94 IonicContact OE2-NH1 3.97Å; E17-R94 PolarHBondContact OE2-NH1 3.47Å; E17-R94 IonicContact OE2-NH2 3.34Å
18	E	32.6	Very low	41.7	Very low	161 Å²	161	121.7 Å²	121.7	75%	0.752	63%	0.629	S	S	*	*			trans	-62.1	98.6	158	-74.8	-165.1	152.9	0	0	105.5	E16 E20	E16-E18 HydrophobicContact CB-CG 4.31Å; E16-E18 PolarHBondContact O-N 2.8Å; E18-E20 VanDerWaalsContact C-N 3.25Å; E18-E20 PolarHBondContact O-N 3.46Å
19	D	35.7	Very low	44.8	Very low	110 Å²	110	116.9 Å²	116.9	59%	0.588	60%	0.603	S	S	*	*			trans	-52.4	96.4	162.2	-80.7	-41.6	0	0	0	106.2	E17 E21	E17-D19 PolarHBondContact O-N 3.38Å; D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 PolarHBondContact O-N 2.97Å
20	E	37	Very low	47.8	Very low	173 Å²	173	115 Å²	115	81%	0.808	59%	0.589	S	S	*	*			trans	-54.4	102.8	168.2	-90.7	-171.4	157	0	0	107.1	E18 G22	E18-E20 VanDerWaalsContact C-N 3.25Å; E18-E20 PolarHBondContact O-N 3.46Å; E20-G22 PolarHBondContact O-N 3.28Å
21	E	38.4	Very low	50.9	Low	204 Å²	204	110 Å²	110	95%	0.953	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	106.7	179.3	-75.8	-174.3	141.2	0	0	109.2	D19	D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 PolarHBondContact O-N 2.97Å
22	G	40.7	Very low	54.2	Low	77 Å²	77	107.2 Å²	107.2	79%	0.794	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	160	-22	162.2	0	0	0	0	0	118.8	E20	E20-G22 PolarHBondContact O-N 3.28Å
23	C	40.9	Very low	57.1	Low	76 Å²	76	101 Å²	101	51%	0.514	54%	0.536	S	S	.	.			trans	-138.2	87.2	-179	-129.6	0	0	0	0	113.4	N25 Q150	C23-N25 PolarHBondContact O-N 3.04Å; C23-N25 VanDerWaalsContact O-N 3.08Å; C23-Q150 PolarHBondContact SG-OE1 3.39Å
24	V	54.6	Low	60.1	Low	126 Å²	126	99 Å²	99	76%	0.764	52%	0.524	S	S	*	.			trans	-62.3	113.4	164.6	-179.3	0	0	0	0	107.4
25	N	63.2	Low	62.9	Low	23 Å²	23	92.5 Å²	92.5	12%	0.123	49%	0.494	C	S	.	.			trans	-56.6	123.4	173.5	-92.9	-68.7	0	0	0	108.8	C23 T27 E28 K96 E154	C23-N25 PolarHBondContact O-N 3.04Å; C23-N25 VanDerWaalsContact O-N 3.08Å; N25-T27 PolarHBondContact O-N 2.87Å; N25-E28 HydrophobicContact CB-CB 4.16Å; N25-E28 WeakPolarHBondContact O-CB 3.39Å; N25-E28 PolarHBondContact O-N 3.4Å; N25-K96 WeakPolarHBondContact ND2-CE 3.39Å; N25-K96 PolarHBondContact ND2-NZ 2.78Å; N25-E154 PolarHBondContact ND2-OE1 2.97Å; N25-E154 PolarHBondContact OD1-OE1 3.23Å
26	P	69.7	Low	65.7	Low	109 Å²	109	87.9 Å²	87.9	71%	0.708	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.5	-175.5	25.3	-34.5	0	0	0	112.8
27	T	78.4	Confident	68.4	Low	11 Å²	11	85.8 Å²	85.8	7%	0.067	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.8	177	59.8	0	0	0	0	114	N25 S62 H66 V97	N25-T27 PolarHBondContact O-N 2.87Å; T27-S62 WeakPolarHBondContact O-CB 3.5Å; T27-S62 PolarHBondContact O-OG 3.3Å; T27-H66 HydrophobicContact CG2-CB 3.83Å; T27-V97 HydrophobicContact CG2-CB 4.36Å; T27-V97 HydrophobicContact CG2-CG2 4.29Å
28	E	86.4	Confident	70.8	Confident	45 Å²	45	86 Å²	86	21%	0.21	48%	0.483	C	S	.	.			trans	-71.7	134.4	-176.1	-165.3	179.8	174	0	0	111	N25 K30 R65 A95	N25-E28 HydrophobicContact CB-CB 4.16Å; N25-E28 WeakPolarHBondContact O-CB 3.39Å; N25-E28 PolarHBondContact O-N 3.4Å; E28-K30 WeakPolarHBondContact OE1-CE 3.37Å; E28-K30 IonicContact OE1-NZ 2.81Å; E28-R65 PolarHBondContact O-NH1 2.85Å; E28-A95 WeakPolarHBondContact CA-O 3.48Å
29	V	92.1	Very high	73.4	Confident	9 Å²	9	79.5 Å²	79.5	6%	0.055	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.1	174.8	-175.4	0	0	0	0	107.9	T58 L61 A95	V29-T58 HydrophobicContact CB-CG2 4.11Å; V29-T58 HydrophobicContact CG1-CG2 3.82Å; V29-L61 HydrophobicContact CG1-CB 4.31Å; V29-L61 HydrophobicContact CG2-CB 4.36Å; V29-A95 PolarHBondContact N-O 3.2Å; V29-A95 PolarHBondContact O-N 3.47Å
30	K	92.9	Very high	75.6	Confident	110 Å²	110	75.4 Å²	75.4	48%	0.478	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133	174.2	-56.3	-171.7	177.8	179.8	0	108.8	E28 I93 R94	E28-K30 WeakPolarHBondContact OE1-CE 3.37Å; E28-K30 IonicContact OE1-NZ 2.81Å; K30-I93 CarbonylContact C-O 3.59Å; K30-I93 WeakPolarHBondContact CA-O 3.32Å; K30-R94 HydrophobicContact CD-CG 4.39Å; K30-R94 HydrophobicContact CG-CG 4.08Å
31	M	93.3	Very high	77.6	Confident	64 Å²	64	69.9 Å²	69.9	32%	0.315	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.1	173.9	-177.3	-177.4	-138.9	0	0	108.7	Q33 W54 T58 I93	M31-Q33 HydrophobicContact CE-CG 4.36Å; M31-Q33 HydrophobicContact CG-CG 4.37Å; M31-Q33 PolarHBondContact SD-NE2 3.4Å; M31-W54 HydrophobicContact SD-CB 4.28Å; M31-T58 HydrophobicContact CB-CG2 4.02Å; M31-T58 PolarHBondContact SD-OG1 3.49Å; M31-I93 HydrophobicContact CB-CB 4.46Å; M31-I93 PolarHBondContact N-O 3.21Å; M31-I93 PolarHBondContact O-N 3.04Å
32	S	92.8	Very high	79.4	Confident	82 Å²	82	65.5 Å²	65.5	57%	0.573	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.6	174.6	-61.3	0	0	0	0	109.4	V91 N92	S32-V91 WeakPolarHBondContact CA-O 3.26Å; S32-N92 VanDerWaalsContact CB-OD1 3.3Å; S32-N92 WeakPolarHBondContact CB-OD1 3.45Å; S32-N92 PolarHBondContact OG-OD1 2.81Å
33	Q	91.1	Very high	81	Confident	45 Å²	45	66.8 Å²	66.8	21%	0.21	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.8	178.1	-78.6	-169.3	63.6	0	0	111.5	M31 W54 V91	M31-Q33 HydrophobicContact CE-CG 4.36Å; M31-Q33 HydrophobicContact CG-CG 4.37Å; M31-Q33 PolarHBondContact SD-NE2 3.4Å; Q33-W54 VanDerWaalsContact NE2-NE1 3.1Å; Q33-V91 PolarHBondContact N-O 2.83Å; Q33-V91 PolarHBondContact O-N 3.26Å
34	I	91.4	Very high	82.9	Confident	88 Å²	88	69.7 Å²	69.7	45%	0.451	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.4	170.1	-168.3	167.7	0	0	0	110.4	M36 V90	I34-M36 HydrophobicContact CG2-CG 4.2Å; I34-M36 PolarHBondContact O-N 3.38Å; I34-M36 VanDerWaalsContact O-N 3.16Å; I34-V90 HydrophobicContact CB-CG2 4.45Å; I34-V90 HydrophobicContact CG1-CG2 4.41Å
35	V	90.9	Very high	84.4	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.012	35%	0.346	C	S	.	.			trans	-76.6	105.2	176.9	-178.1	0	0	0	0	109.5	C40 L46 I85 G88 Q89 V91	V35-C40 WeakPolarHBondContact CG1-SG 3.29Å; V35-L46 HydrophobicContact CG1-CB 4.23Å; V35-L46 HydrophobicContact CG1-CD1 4.05Å; V35-L46 HydrophobicContact CG2-CD1 4.27Å; V35-L46 HydrophobicContact CG2-CD2 4.4Å; V35-I85 HydrophobicContact CG2-CG2 3.74Å; V35-G88 PolarHBondContact O-N 3.12Å; V35-Q89 WeakPolarHBondContact CG2-O 3.47Å; V35-Q89 PolarHBondContact N-O 2.84Å; V35-V91 HydrophobicContact CG2-CG2 3.57Å
36	M	89.7	Confident	85.6	Confident	88 Å²	88	64.7 Å²	64.7	43%	0.433	34%	0.343	S	S	.	.			trans	-88.9	159.7	174.5	-64.9	-171.4	-71.5	0	0	111.6	I34 C38 H39 C40	I34-M36 HydrophobicContact CG2-CG 4.2Å; I34-M36 PolarHBondContact O-N 3.38Å; I34-M36 VanDerWaalsContact O-N 3.16Å; M36-C38 PolarHBondContact O-N 2.74Å; M36-C38 VanDerWaalsContact O-N 3.14Å; M36-H39 WeakPolarHBondContact CE-CE1 3.42Å; M36-H39 PolarHBondContact N-ND1 3.08Å; M36-H39 WeakPolarHBondContact O-CB 3.33Å; M36-H39 PolarHBondContact O-N 2.91Å; M36-C40 PolarHBondContact O-SG 3.41Å
37	P	88.2	Confident	86.4	Confident	102 Å²	102	60.9 Å²	60.9	66%	0.662	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32	176.4	-28.3	35.6	0	0	0	114.6	H39 C40 V87	P37-H39 PolarHBondContact O-N 2.96Å; P37-C40 PolarHBondContact O-N 2.96Å; P37-V87 HydrophobicContact CG-CG1 4.12Å
38	C	86.3	Confident	86.9	Confident	100 Å²	100	61.9 Å²	61.9	68%	0.676	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-68.5	-17.3	177	58.5	0	0	0	0	114	M36	M36-C38 PolarHBondContact O-N 2.74Å; M36-C38 VanDerWaalsContact O-N 3.14Å
39	H	86.9	Confident	87	Confident	26 Å²	26	59.8 Å²	59.8	12%	0.12	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-90	-7.2	177.3	-55.3	156.5	0	0	0	112.4	M36 P37 L46 S47 Q50 W54	M36-H39 WeakPolarHBondContact CE-CE1 3.42Å; M36-H39 PolarHBondContact N-ND1 3.08Å; M36-H39 WeakPolarHBondContact O-CB 3.33Å; M36-H39 PolarHBondContact O-N 2.91Å; P37-H39 PolarHBondContact O-N 2.96Å; H39-L46 HydrophobicContact CB-CD1 3.83Å; H39-S47 WeakPolarHBondContact O-CB 3.42Å; H39-S47 PolarHBondContact O-N 3.07Å; H39-Q50 HydrophobicContact CB-CG 4.23Å; H39-W54 HydrophobicContact CB-CH2 4.1Å; H39-W54 HydrophobicContact CB-CZ2 4.42Å; H39-W54 AromaticContact CE1-CZ2 3.61Å; H39-W54 AromaticContact CG-CH2 3.82Å; H39-W54 AromaticContact CG-CZ2 3.78Å; H39-W54 AromaticContact ND1-CH2 3.43Å; H39-W54 WeakPolarHBondContact ND1-CH2 3.48Å; H39-W54 AromaticContact ND1-CZ2 3.47Å; H39-W54 WeakPolarHBondContact ND1-CZ2 3.4Å; H39-W54 AromaticContact NE2-CZ2 3.99Å
40	C	83.6	Confident	86.9	Confident	23 Å²	23	61.5 Å²	61.5	16%	0.155	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-104.4	159.1	-168	-65.8	0	0	0	0	113.4	V35 M36 P37 E45 V87	V35-C40 WeakPolarHBondContact CG1-SG 3.29Å; M36-C40 PolarHBondContact O-SG 3.41Å; P37-C40 PolarHBondContact O-N 2.96Å; C40-E45 CarbonylContact C-O 3.58Å; C40-E45 WeakPolarHBondContact CA-O 3.48Å; C40-E45 VanDerWaalsContact CB-O 3.27Å; C40-E45 WeakPolarHBondContact CB-O 3.3Å; C40-V87 HydrophobicContact CB-CG2 3.83Å; C40-V87 WeakPolarHBondContact SG-CG2 3.46Å
41	N	78.9	Confident	86.8	Confident	57 Å²	57	56.5 Å²	56.5	31%	0.305	30%	0.301	S	S	.	.			trans	-75.1	177.2	167	71.2	15.8	0	0	0	110.6	R43 Q44 E45	N41-R43 PolarHBondContact O-N 2.9Å; N41-R43 WeakPolarHBondContact OD1-CA 3.45Å; N41-R43 WeakPolarHBondContact OD1-CB 3.42Å; N41-R43 PolarHBondContact OD1-N 2.79Å; N41-Q44 PolarHBondContact O-N 2.86Å; N41-Q44 PolarHBondContact OD1-N 3.37Å; N41-E45 VanDerWaalsContact CG-O 3.27Å; N41-E45 PolarHBondContact N-O 2.95Å; N41-E45 PolarHBondContact ND2-OE2 2.79Å; N41-E45 VanDerWaalsContact ND2-OE2 3.13Å; N41-E45 PolarHBondContact OD1-N 3.18Å; N41-E45 PolarHBondContact OD1-O 3.07Å
42	H	75.1	Confident	86.7	Confident	113 Å²	113	53.6 Å²	53.6	52%	0.523	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-8.5	179.6	66.8	77	0	0	0	114.8	R238 H246	H42-R238 PolarHBondContact CD2-NH1 3.39Å; H42-R238 PolarHBondContact CE1-NH2 3.09Å; H42-R238 VanDerWaalsContact NE2-CZ 3.33Å; H42-R238 PolarHBondContact NE2-NH1 2.96Å; H42-R238 PolarHBondContact NE2-NH2 3.23Å; H42-H246 AromaticContact CE1-CE1 3.32Å; H42-H246 PolarHBondContact CE1-CE1 3.4Å; H42-H246 AromaticContact CE1-CG 3.97Å; H42-H246 AromaticContact CE1-ND1 3.52Å; H42-H246 AromaticContact CE1-NE2 3.6Å; H42-H246 AromaticContact NE2-CE1 3.89Å; H42-H246 AromaticContact NE2-ND1 3.74Å
43	R	74.1	Confident	86.7	Confident	104 Å²	104	52.6 Å²	52.6	39%	0.392	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.8	174.9	-55.2	-175.1	77.9	-146	8.7	113	N41 E45 H246	N41-R43 PolarHBondContact O-N 2.9Å; N41-R43 WeakPolarHBondContact OD1-CA 3.45Å; N41-R43 WeakPolarHBondContact OD1-CB 3.42Å; N41-R43 PolarHBondContact OD1-N 2.79Å; R43-E45 HydrophobicContact CB-CG 4.3Å; R43-E45 IonicContact CZ-OE1 3.51Å; R43-E45 IonicContact NH1-OE1 3.52Å; R43-E45 PolarHBondContact NH1-OE1 2.85Å; R43-E45 IonicContact NH1-OE2 2.99Å; R43-E45 PolarHBondContact O-N 2.93Å; R43-H246 VanDerWaalsContact CD-CD2 3.45Å; R43-H246 WeakPolarHBondContact CD-CD2 3.41Å
44	Q	81.4	Confident	86.8	Confident	136 Å²	136	51.1 Å²	51.1	64%	0.636	26%	0.264	S	S	*	.	S	Bend	trans	63.9	26.2	-175.5	-52.1	175.7	-6.5	0	0	113.2	N41 S86 V87	N41-Q44 PolarHBondContact O-N 2.86Å; N41-Q44 PolarHBondContact OD1-N 3.37Å; Q44-S86 WeakPolarHBondContact O-CA 3.21Å; Q44-V87 HydrophobicContact CB-CB 4.31Å; Q44-V87 HydrophobicContact CB-CG2 3.69Å; Q44-V87 HydrophobicContact CG-CG2 4.41Å; Q44-V87 WeakPolarHBondContact O-CG2 3.14Å; Q44-V87 PolarHBondContact O-N 2.69Å
45	E	85.6	Confident	86.8	Confident	32 Å²	32	47 Å²	47	15%	0.15	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-100.9	143.8	169.2	-56.6	162.9	163.5	0	0	109	C40 N41 R43 S47 I85	C40-E45 CarbonylContact C-O 3.58Å; C40-E45 WeakPolarHBondContact CA-O 3.48Å; C40-E45 VanDerWaalsContact CB-O 3.27Å; C40-E45 WeakPolarHBondContact CB-O 3.3Å; N41-E45 VanDerWaalsContact CG-O 3.27Å; N41-E45 PolarHBondContact N-O 2.95Å; N41-E45 PolarHBondContact ND2-OE2 2.79Å; N41-E45 VanDerWaalsContact ND2-OE2 3.13Å; N41-E45 PolarHBondContact OD1-N 3.18Å; N41-E45 PolarHBondContact OD1-O 3.07Å; R43-E45 HydrophobicContact CB-CG 4.3Å; R43-E45 IonicContact CZ-OE1 3.51Å; R43-E45 IonicContact NH1-OE1 3.52Å; R43-E45 PolarHBondContact NH1-OE1 2.85Å; R43-E45 IonicContact NH1-OE2 2.99Å; R43-E45 PolarHBondContact O-N 2.93Å; E45-S47 PolarHBondContact O-N 3.13Å; E45-I85 CarbonylContact C-O 3.47Å; E45-I85 VanDerWaalsContact CA-O 3.31Å; E45-I85 WeakPolarHBondContact CA-O 3.33Å
46	L	88.2	Confident	86.9	Confident	13 Å²	13	47 Å²	47	7%	0.068	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-55.8	128.6	178.2	178.6	66.4	0	0	0	110.6	V35 H39 V48 Q50 L51 W54 I85 V91	V35-L46 HydrophobicContact CG1-CB 4.23Å; V35-L46 HydrophobicContact CG1-CD1 4.05Å; V35-L46 HydrophobicContact CG2-CD1 4.27Å; V35-L46 HydrophobicContact CG2-CD2 4.4Å; H39-L46 HydrophobicContact CB-CD1 3.83Å; L46-V48 PolarHBondContact O-N 2.85Å; L46-Q50 HydrophobicContact CD1-CB 4.43Å; L46-Q50 HydrophobicContact CD1-CG 4.49Å; L46-L51 HydrophobicContact CD2-CB 3.91Å; L46-L51 HydrophobicContact CD2-CD1 4.19Å; L46-L51 HydrophobicContact CD2-CD2 4.42Å; L46-L51 HydrophobicContact CD2-CG 4.39Å; L46-W54 HydrophobicContact CD1-CH2 3.81Å; L46-W54 HydrophobicContact CD1-CZ3 3.71Å; L46-W54 HydrophobicContact CD2-CZ3 4.05Å; L46-I85 HydrophobicContact CB-CB 3.98Å; L46-I85 HydrophobicContact CB-CG2 4.46Å; L46-I85 HydrophobicContact CD2-CB 4.2Å; L46-I85 HydrophobicContact CD2-CD1 3.85Å; L46-I85 HydrophobicContact CD2-CG1 4.48Å; L46-I85 PolarHBondContact N-O 3.33Å; L46-V91 HydrophobicContact CD2-CG2 4.14Å
47	S	87.3	Confident	86.9	Confident	29 Å²	29	44.3 Å²	44.3	20%	0.203	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.9	121.8	171	178.8	0	0	0	0	109.4	H39 E45 G49 Q50 L51	H39-S47 WeakPolarHBondContact O-CB 3.42Å; H39-S47 PolarHBondContact O-N 3.07Å; E45-S47 PolarHBondContact O-N 3.13Å; S47-G49 PolarHBondContact O-N 3.13Å; S47-G49 VanDerWaalsContact O-N 3.17Å; S47-Q50 WeakPolarHBondContact O-CB 3.22Å; S47-Q50 PolarHBondContact O-N 3.47Å; S47-L51 PolarHBondContact O-N 2.97Å
48	V	87.9	Confident	87.1	Confident	32 Å²	32	39.6 Å²	39.6	19%	0.194	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-28.7	-179.6	-175.6	0	0	0	0	111.5	L46 Q50 L51 L52 F81 V230 L249	L46-V48 PolarHBondContact O-N 2.85Å; V48-Q50 VanDerWaalsContact C-N 3.29Å; V48-Q50 PolarHBondContact O-N 3.46Å; V48-L51 WeakPolarHBondContact O-CB 3.49Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-L52 HydrophobicContact CG1-CD1 4.48Å; V48-L52 HydrophobicContact CG1-CG 4.37Å; V48-L52 WeakPolarHBondContact O-CG 3.42Å; V48-L52 PolarHBondContact O-N 2.82Å; V48-F81 HydrophobicContact CG1-CD1 4.38Å; V48-F81 HydrophobicContact CG1-CD2 4.33Å; V48-F81 HydrophobicContact CG1-CE1 3.69Å; V48-F81 HydrophobicContact CG1-CE2 3.63Å; V48-F81 HydrophobicContact CG1-CZ 3.25Å; V48-V230 HydrophobicContact CB-CG1 4.33Å; V48-L249 HydrophobicContact CB-CD2 4.09Å; V48-L249 HydrophobicContact CG1-CD2 3.75Å; V48-L249 HydrophobicContact CG2-CB 4.27Å
49	G	88.4	Confident	87.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-40	172.5	0	0	0	0	0	112.8	S47 L52 K53 A227	S47-G49 PolarHBondContact O-N 3.13Å; S47-G49 VanDerWaalsContact O-N 3.17Å; G49-L52 PolarHBondContact O-N 3.29Å; G49-K53 PolarHBondContact O-N 3.27Å; G49-K53 VanDerWaalsContact O-N 3.11Å; G49-A227 VanDerWaalsContact O-CB 3.27Å; G49-A227 WeakPolarHBondContact O-CB 3.45Å
50	Q	90.1	Very high	87.6	Confident	46 Å²	46	33.8 Å²	33.8	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-68.8	-39.3	176.2	-174.3	67.2	1.6	0	0	111.5	H39 L46 S47 V48 K53 W54	H39-Q50 HydrophobicContact CB-CG 4.23Å; L46-Q50 HydrophobicContact CD1-CB 4.43Å; L46-Q50 HydrophobicContact CD1-CG 4.49Å; S47-Q50 WeakPolarHBondContact O-CB 3.22Å; S47-Q50 PolarHBondContact O-N 3.47Å; V48-Q50 VanDerWaalsContact C-N 3.29Å; V48-Q50 PolarHBondContact O-N 3.46Å; Q50-K53 WeakPolarHBondContact O-CB 3.38Å; Q50-K53 PolarHBondContact O-N 3.08Å; Q50-W54 HydrophobicContact CG-CD2 4.19Å; Q50-W54 HydrophobicContact CG-CH2 3.87Å; Q50-W54 HydrophobicContact CG-CZ2 3.46Å; Q50-W54 VanDerWaalsContact CG-CZ2 3.46Å; Q50-W54 HydrophobicContact CG-CZ3 4.39Å; Q50-W54 VanDerWaalsContact NE2-CE2 3.34Å; Q50-W54 PolarHBondContact O-N 3.33Å; Q50-W54 VanDerWaalsContact O-N 3.09Å
51	L	91.9	Very high	87.9	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-47.7	174.5	-178.3	57.9	0	0	0	111.5	L46 S47 V48 K53 W54 M55 F81 V91 I93 V111 V124	L46-L51 HydrophobicContact CD2-CB 3.91Å; L46-L51 HydrophobicContact CD2-CD1 4.19Å; L46-L51 HydrophobicContact CD2-CD2 4.42Å; L46-L51 HydrophobicContact CD2-CG 4.39Å; S47-L51 PolarHBondContact O-N 2.97Å; V48-L51 WeakPolarHBondContact O-CB 3.49Å; V48-L51 PolarHBondContact O-N 3.28Å; L51-K53 VanDerWaalsContact C-N 3.26Å; L51-K53 PolarHBondContact O-N 2.99Å; L51-W54 HydrophobicContact CD1-CE3 4.42Å; L51-W54 PolarHBondContact O-N 3.34Å; L51-W54 VanDerWaalsContact O-N 3.13Å; L51-M55 HydrophobicContact CD1-CG 4.34Å; L51-M55 HydrophobicContact CD1-SD 4.42Å; L51-M55 HydrophobicContact CG-CG 4.4Å; L51-M55 HydrophobicContact CG-SD 3.92Å; L51-M55 VanDerWaalsContact O-CG 3.26Å; L51-M55 WeakPolarHBondContact O-CG 3.21Å; L51-M55 PolarHBondContact O-N 2.93Å; L51-F81 HydrophobicContact CD2-CD1 4.27Å; L51-F81 HydrophobicContact CD2-CE1 3.88Å; L51-V91 HydrophobicContact CD1-CG1 3.96Å; L51-I93 HydrophobicContact CD1-CD1 4.32Å; L51-V111 HydrophobicContact CD1-CG1 4.03Å; L51-V124 HydrophobicContact CD2-CG1 4.39Å
52	L	91.9	Very high	88.5	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-35.9	177.2	-68.8	173.6	0	0	0	112.5	V48 G49 M55 D56 I79 F81 M226 V230 I252	V48-L52 HydrophobicContact CG1-CD1 4.48Å; V48-L52 HydrophobicContact CG1-CG 4.37Å; V48-L52 WeakPolarHBondContact O-CG 3.42Å; V48-L52 PolarHBondContact O-N 2.82Å; G49-L52 PolarHBondContact O-N 3.29Å; L52-M55 HydrophobicContact CD2-SD 4.17Å; L52-M55 PolarHBondContact O-N 3.46Å; L52-D56 WeakPolarHBondContact O-CB 3.32Å; L52-D56 PolarHBondContact O-N 2.65Å; L52-I79 HydrophobicContact CD2-CD1 3.5Å; L52-I79 VanDerWaalsContact CD2-CD1 3.5Å; L52-F81 HydrophobicContact CD2-CZ 4.2Å; L52-M226 HydrophobicContact CB-CB 4.17Å; L52-M226 HydrophobicContact CB-SD 4.47Å; L52-M226 HydrophobicContact CD1-CB 4.05Å; L52-V230 HydrophobicContact CD1-CG2 3.63Å; L52-I252 HydrophobicContact CD1-CD1 3.54Å; L52-I252 HydrophobicContact CD2-CD1 4.12Å; L52-I252 HydrophobicContact CG-CD1 4.38Å
53	K	91.4	Very high	89.2	Confident	62 Å²	62	28.5 Å²	28.5	27%	0.27	14%	0.139	S	C	.	.	H	α-helix	trans	-63	-44.5	174.5	179.6	178.2	176	168.4	0	111.8	G49 Q50 L51 S57	G49-K53 PolarHBondContact O-N 3.27Å; G49-K53 VanDerWaalsContact O-N 3.11Å; Q50-K53 WeakPolarHBondContact O-CB 3.38Å; Q50-K53 PolarHBondContact O-N 3.08Å; L51-K53 VanDerWaalsContact C-N 3.26Å; L51-K53 PolarHBondContact O-N 2.99Å; K53-S57 WeakPolarHBondContact O-CB 3.45Å; K53-S57 PolarHBondContact O-N 2.83Å; K53-S57 PolarHBondContact O-OG 3.27Å
54	W	92.9	Very high	89.9	Confident	13 Å²	13	25.6 Å²	25.6	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-40.1	177.2	-61.7	-28.8	0	0	0	112.5	M31 Q33 H39 L46 Q50 L51 S57 T58 V91 I93	M31-W54 HydrophobicContact SD-CB 4.28Å; Q33-W54 VanDerWaalsContact NE2-NE1 3.1Å; H39-W54 HydrophobicContact CB-CH2 4.1Å; H39-W54 HydrophobicContact CB-CZ2 4.42Å; H39-W54 AromaticContact CE1-CZ2 3.61Å; H39-W54 AromaticContact CG-CH2 3.82Å; H39-W54 AromaticContact CG-CZ2 3.78Å; H39-W54 AromaticContact ND1-CH2 3.43Å; H39-W54 WeakPolarHBondContact ND1-CH2 3.48Å; H39-W54 AromaticContact ND1-CZ2 3.47Å; H39-W54 WeakPolarHBondContact ND1-CZ2 3.4Å; H39-W54 AromaticContact NE2-CZ2 3.99Å; L46-W54 HydrophobicContact CD1-CH2 3.81Å; L46-W54 HydrophobicContact CD1-CZ3 3.71Å; L46-W54 HydrophobicContact CD2-CZ3 4.05Å; Q50-W54 HydrophobicContact CG-CD2 4.19Å; Q50-W54 HydrophobicContact CG-CH2 3.87Å; Q50-W54 HydrophobicContact CG-CZ2 3.46Å; Q50-W54 VanDerWaalsContact CG-CZ2 3.46Å; Q50-W54 HydrophobicContact CG-CZ3 4.39Å; Q50-W54 VanDerWaalsContact NE2-CE2 3.34Å; Q50-W54 PolarHBondContact O-N 3.33Å; Q50-W54 VanDerWaalsContact O-N 3.09Å; L51-W54 HydrophobicContact CD1-CE3 4.42Å; L51-W54 PolarHBondContact O-N 3.34Å; L51-W54 VanDerWaalsContact O-N 3.13Å; W54-S57 PolarHBondContact O-N 3.42Å; W54-T58 WeakPolarHBondContact O-CB 3.29Å; W54-T58 PolarHBondContact O-N 3.27Å; W54-T58 PolarHBondContact O-OG1 3.19Å; W54-V91 HydrophobicContact CZ3-CG2 4.34Å; W54-I93 HydrophobicContact CB-CD1 3.52Å
55	M	92.9	Very high	90.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-51.4	175.1	-70.2	171.2	73.3	0	0	111.3	L51 L52 S57 T58 A59 M76 I93 I109 V111 S127	L51-M55 HydrophobicContact CD1-CG 4.34Å; L51-M55 HydrophobicContact CD1-SD 4.42Å; L51-M55 HydrophobicContact CG-CG 4.4Å; L51-M55 HydrophobicContact CG-SD 3.92Å; L51-M55 VanDerWaalsContact O-CG 3.26Å; L51-M55 WeakPolarHBondContact O-CG 3.21Å; L51-M55 PolarHBondContact O-N 2.93Å; L52-M55 HydrophobicContact CD2-SD 4.17Å; L52-M55 PolarHBondContact O-N 3.46Å; M55-S57 PolarHBondContact O-N 3.09Å; M55-T58 PolarHBondContact O-N 3.22Å; M55-A59 VanDerWaalsContact O-CB 3.29Å; M55-A59 WeakPolarHBondContact O-CB 3.46Å; M55-A59 PolarHBondContact O-N 3.08Å; M55-M76 HydrophobicContact CE-CE 4.28Å; M55-I93 HydrophobicContact CG-CD1 4.23Å; M55-I109 HydrophobicContact CB-CD1 4.39Å; M55-I109 HydrophobicContact CB-CG2 4.2Å; M55-I109 HydrophobicContact CE-CG2 4.01Å; M55-I109 HydrophobicContact CG-CG2 4.17Å; M55-V111 HydrophobicContact CE-CG2 3.99Å; M55-V111 HydrophobicContact CG-CG2 3.83Å; M55-V111 HydrophobicContact SD-CG2 3.98Å; M55-S127 WeakPolarHBondContact CE-OG 3.26Å
56	D	92	Very high	90.2	Very high	3 Å²	3	26 Å²	26	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-41.5	179.1	-173.6	69.2	0	0	0	112	L52 T58 A59 C60 T73 G222 G223 M226	L52-D56 WeakPolarHBondContact O-CB 3.32Å; L52-D56 PolarHBondContact O-N 2.65Å; D56-T58 PolarHBondContact O-N 3.48Å; D56-A59 PolarHBondContact O-N 3.31Å; D56-C60 WeakPolarHBondContact O-CB 3.31Å; D56-C60 PolarHBondContact O-N 2.7Å; D56-T73 VanDerWaalsContact OD1-CG2 3.32Å; D56-T73 WeakPolarHBondContact OD1-CG2 3.39Å; D56-T73 PolarHBondContact OD1-OG1 2.88Å; D56-G222 PolarHBondContact OD2-N 2.97Å; D56-G223 VanDerWaalsContact CG-N 3.28Å; D56-G223 PolarHBondContact OD2-N 3.47Å; D56-M226 HydrophobicContact CB-CE 3.69Å
57	S	90.7	Very high	90.1	Very high	32 Å²	32	26.2 Å²	26.2	22%	0.224	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-44.8	178.4	-57.4	0	0	0	0	111.7	K53 W54 M55 C60 L61	K53-S57 WeakPolarHBondContact O-CB 3.45Å; K53-S57 PolarHBondContact O-N 2.83Å; K53-S57 PolarHBondContact O-OG 3.27Å; W54-S57 PolarHBondContact O-N 3.42Å; M55-S57 PolarHBondContact O-N 3.09Å; S57-C60 PolarHBondContact O-N 2.7Å; S57-L61 WeakPolarHBondContact O-CD1 3.48Å; S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 3.08Å
58	T	92.5	Very high	89.9	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-41.4	179.1	-49.8	0	0	0	0	111	V29 M31 W54 M55 D56 L61 S62 I93 A95	V29-T58 HydrophobicContact CB-CG2 4.11Å; V29-T58 HydrophobicContact CG1-CG2 3.82Å; M31-T58 HydrophobicContact CB-CG2 4.02Å; M31-T58 PolarHBondContact SD-OG1 3.49Å; W54-T58 WeakPolarHBondContact O-CB 3.29Å; W54-T58 PolarHBondContact O-N 3.27Å; W54-T58 PolarHBondContact O-OG1 3.19Å; M55-T58 PolarHBondContact O-N 3.22Å; D56-T58 PolarHBondContact O-N 3.48Å; T58-L61 PolarHBondContact O-N 2.9Å; T58-S62 PolarHBondContact O-N 3.19Å; T58-S62 VanDerWaalsContact O-N 3.09Å; T58-I93 HydrophobicContact CG2-CG2 4.05Å; T58-A95 HydrophobicContact CG2-CB 3.85Å
59	A	92.4	Very high	89.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.3	-38.1	178.3	0	0	0	0	0	112.9	M55 D56 S62 A63 A95 V107 I109 F131	M55-A59 VanDerWaalsContact O-CB 3.29Å; M55-A59 WeakPolarHBondContact O-CB 3.46Å; M55-A59 PolarHBondContact O-N 3.08Å; D56-A59 PolarHBondContact O-N 3.31Å; A59-S62 PolarHBondContact O-N 2.83Å; A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.28Å; A59-A95 HydrophobicContact CB-CB 4.39Å; A59-V107 HydrophobicContact CB-CB 4.43Å; A59-V107 HydrophobicContact CB-CG1 3.9Å; A59-I109 HydrophobicContact CB-CD1 3.46Å; A59-I109 VanDerWaalsContact CB-CD1 3.46Å; A59-I109 HydrophobicContact CB-CG1 3.8Å; A59-F131 HydrophobicContact CB-CE2 3.53Å; A59-F131 HydrophobicContact CB-CZ 3.77Å
60	C	90.3	Very high	89.4	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.034	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-44.6	174.2	-168.8	0	0	0	0	110.6	D56 S57 S62 A63 E64 F131	D56-C60 WeakPolarHBondContact O-CB 3.31Å; D56-C60 PolarHBondContact O-N 2.7Å; S57-C60 PolarHBondContact O-N 2.7Å; C60-S62 VanDerWaalsContact C-N 3.34Å; C60-S62 PolarHBondContact O-N 2.89Å; C60-A63 PolarHBondContact O-N 3.16Å; C60-E64 WeakPolarHBondContact O-CB 3.43Å; C60-E64 VanDerWaalsContact O-CG 3.29Å; C60-E64 WeakPolarHBondContact O-CG 3.31Å; C60-E64 PolarHBondContact O-N 3.08Å; C60-F131 HydrophobicContact CB-CD1 4.46Å; C60-F131 HydrophobicContact CB-CE1 3.68Å; C60-F131 HydrophobicContact CB-CZ 4.11Å
61	L	90.4	Very high	89.1	Confident	81 Å²	81	27.3 Å²	27.3	42%	0.424	15%	0.152	S	C	.	.	H	α-helix	trans	-60.3	-41.5	175	-76.7	161.5	0	0	0	112.3	V29 S57 T58 E64 R65	V29-L61 HydrophobicContact CG1-CB 4.31Å; V29-L61 HydrophobicContact CG2-CB 4.36Å; S57-L61 WeakPolarHBondContact O-CD1 3.48Å; S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 3.08Å; T58-L61 PolarHBondContact O-N 2.9Å; L61-E64 PolarHBondContact O-N 2.93Å; L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.31Å; L61-R65 WeakPolarHBondContact O-CG 3.19Å; L61-R65 PolarHBondContact O-N 2.92Å
62	S	91.1	Very high	88.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-44.1	175.7	-179.4	0	0	0	0	111.4	T27 T58 A59 C60 R65 H66	T27-S62 WeakPolarHBondContact O-CB 3.5Å; T27-S62 PolarHBondContact O-OG 3.3Å; T58-S62 PolarHBondContact O-N 3.19Å; T58-S62 VanDerWaalsContact O-N 3.09Å; A59-S62 PolarHBondContact O-N 2.83Å; C60-S62 VanDerWaalsContact C-N 3.34Å; C60-S62 PolarHBondContact O-N 2.89Å; S62-R65 PolarHBondContact O-N 3.12Å; S62-H66 PolarHBondContact O-N 3.3Å
63	A	89.8	Confident	88.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-44.7	176.7	0	0	0	0	0	112.5	A59 C60 H66 A67 C71 M105 V107 F131	A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.28Å; C60-A63 PolarHBondContact O-N 3.16Å; A63-H66 PolarHBondContact O-N 3.05Å; A63-A67 WeakPolarHBondContact O-CB 3.43Å; A63-A67 PolarHBondContact O-N 3.31Å; A63-C71 HydrophobicContact CB-CB 4.02Å; A63-M105 WeakPolarHBondContact CA-SD 2.91Å; A63-M105 HydrophobicContact CB-CE 4.35Å; A63-M105 HydrophobicContact CB-CG 4.2Å; A63-M105 HydrophobicContact CB-SD 3.51Å; A63-M105 VanDerWaalsContact CB-SD 3.51Å; A63-V107 HydrophobicContact CB-CG2 4.19Å; A63-F131 HydrophobicContact CB-CB 3.82Å; A63-F131 HydrophobicContact CB-CD1 4.35Å; A63-F131 HydrophobicContact CB-CD2 4.21Å; A63-F131 HydrophobicContact CB-CG 3.86Å
64	E	88.3	Confident	88.8	Confident	44 Å²	44	28 Å²	28	21%	0.206	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-40.3	178.9	-73.1	-179.4	167.8	0	0	112.1	C60 L61 H66 A67 G68 L70 C71	C60-E64 WeakPolarHBondContact O-CB 3.43Å; C60-E64 VanDerWaalsContact O-CG 3.29Å; C60-E64 WeakPolarHBondContact O-CG 3.31Å; C60-E64 PolarHBondContact O-N 3.08Å; L61-E64 PolarHBondContact O-N 2.93Å; E64-H66 VanDerWaalsContact C-N 3.29Å; E64-H66 PolarHBondContact O-N 2.82Å; E64-A67 PolarHBondContact O-N 2.91Å; E64-G68 WeakPolarHBondContact O-CA 3.22Å; E64-G68 PolarHBondContact O-N 3.08Å; E64-L70 WeakPolarHBondContact OE1-CD2 3.38Å; E64-C71 HydrophobicContact CG-CB 3.96Å
65	R	87.8	Confident	88.6	Confident	154 Å²	154	27.8 Å²	27.8	58%	0.581	17%	0.165	S	C	*	.	H	α-helix	trans	-58.3	-41.8	173.6	-78.9	-178.7	-176.7	-174.5	1.1	112	E28 L61 S62	E28-R65 PolarHBondContact O-NH1 2.85Å; L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.31Å; L61-R65 WeakPolarHBondContact O-CG 3.19Å; L61-R65 PolarHBondContact O-N 2.92Å; S62-R65 PolarHBondContact O-N 3.12Å
66	H	86.6	Confident	88.5	Confident	22 Å²	22	27.9 Å²	27.9	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-73.3	-44.3	178.8	178.7	-88.4	0	0	0	112.5	T27 S62 A63 E64 V97 M105 R145 V147	T27-H66 HydrophobicContact CG2-CB 3.83Å; S62-H66 PolarHBondContact O-N 3.3Å; A63-H66 PolarHBondContact O-N 3.05Å; E64-H66 VanDerWaalsContact C-N 3.29Å; E64-H66 PolarHBondContact O-N 2.82Å; H66-V97 HydrophobicContact CB-CG2 3.92Å; H66-M105 HydrophobicContact CB-SD 4.47Å; H66-R145 PolarHBondContact CE1-O 3.01Å; H66-R145 PolarHBondContact NE2-O 3.41Å; H66-V147 WeakPolarHBondContact NE2-CG2 3.42Å
67	A	85.3	Confident	88.4	Confident	17 Å²	17	28.5 Å²	28.5	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-72	-29.3	-177.9	0	0	0	0	0	113.6	A63 E64 S69 M105 T133 L144	A63-A67 WeakPolarHBondContact O-CB 3.43Å; A63-A67 PolarHBondContact O-N 3.31Å; E64-A67 PolarHBondContact O-N 2.91Å; A67-S69 PolarHBondContact O-N 2.96Å; A67-M105 HydrophobicContact CB-CE 3.79Å; A67-T133 HydrophobicContact CB-CG2 3.71Å; A67-L144 HydrophobicContact CB-CD2 3.71Å
68	G	82.7	Confident	88.2	Confident	71 Å²	71	28.5 Å²	28.5	73%	0.732	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	18.4	-165.6	0	0	0	0	0	112.8	E64	E64-G68 WeakPolarHBondContact O-CA 3.22Å; E64-G68 PolarHBondContact O-N 3.08Å
69	S	83.3	Confident	88	Confident	32 Å²	32	28.4 Å²	28.4	22%	0.224	17%	0.166	C	C	.	.	S	Bend	trans	-151.7	167.2	-176.3	-162.5	0	0	0	0	109.7	A67 C71	A67-S69 PolarHBondContact O-N 2.96Å; S69-C71 PolarHBondContact O-SG 2.97Å
70	L	82.8	Confident	87.8	Confident	25 Å²	25	31.8 Å²	31.8	13%	0.131	18%	0.182	C	C	.	.			trans	-76.6	136.6	-170.7	-65.1	165.3	0	0	0	111.6	E64 T133 Q134 H216 Q217	E64-L70 WeakPolarHBondContact OE1-CD2 3.38Å; L70-T133 WeakPolarHBondContact O-CA 3.49Å; L70-Q134 PolarHBondContact O-N 2.76Å; L70-H216 WeakPolarHBondContact CD1-NE2 3.22Å; L70-H216 WeakPolarHBondContact CD2-CE1 3.49Å; L70-H216 VanDerWaalsContact CD2-NE2 3.31Å; L70-H216 WeakPolarHBondContact CD2-NE2 3.43Å; L70-Q217 HydrophobicContact CD1-CB 4.39Å; L70-Q217 HydrophobicContact CD1-CG 3.48Å; L70-Q217 VanDerWaalsContact CD1-CG 3.48Å
71	C	85.4	Confident	87.7	Confident	2 Å²	2	32 Å²	32	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.5	-174.6	-66.5	0	0	0	0	110	A63 E64 S69 F131 V132	A63-C71 HydrophobicContact CB-CB 4.02Å; E64-C71 HydrophobicContact CG-CB 3.96Å; S69-C71 PolarHBondContact O-SG 2.97Å; C71-F131 HydrophobicContact CB-CB 4.3Å; C71-F131 HydrophobicContact CB-CD1 4.23Å; C71-V132 WeakPolarHBondContact CA-O 3.29Å
72	V	87.1	Confident	87.3	Confident	43 Å²	43	33 Å²	33	26%	0.261	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.8	170.5	-72.2	0	0	0	0	110.4	A74 F131 V132 Q134	V72-A74 PolarHBondContact O-N 3.25Å; V72-F131 WeakPolarHBondContact O-CA 3.39Å; V72-V132 PolarHBondContact N-O 2.65Å; V72-V132 PolarHBondContact O-N 2.86Å; V72-Q134 HydrophobicContact CG1-CG 4.08Å; V72-Q134 HydrophobicContact CG2-CG 4.04Å
73	T	89.9	Confident	86.8	Confident	14 Å²	14	37.7 Å²	37.7	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	117	178	-38	0	0	0	0	109.5	D56 F131 F257	D56-T73 VanDerWaalsContact OD1-CG2 3.32Å; D56-T73 WeakPolarHBondContact OD1-CG2 3.39Å; D56-T73 PolarHBondContact OD1-OG1 2.88Å; T73-F131 HydrophobicContact CG2-CE1 4.27Å; T73-F131 HydrophobicContact CG2-CZ 4.25Å; T73-F131 VanDerWaalsContact OG1-CE1 3.26Å; T73-F131 WeakPolarHBondContact OG1-CE1 3.32Å; T73-F257 HydrophobicContact CG2-CD2 4.2Å; T73-F257 HydrophobicContact CG2-CE2 3.8Å; T73-F257 VanDerWaalsContact O-CD2 3.24Å; T73-F257 WeakPolarHBondContact O-CD2 3.45Å
74	A	90	Very high	86.4	Confident	26 Å²	26	41.7 Å²	41.7	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-43.1	177	0	0	0	0	0	112.2	V72 T130 V132 T256 F257	V72-A74 PolarHBondContact O-N 3.25Å; A74-T130 HydrophobicContact CB-CG2 4.42Å; A74-T130 WeakPolarHBondContact CB-O 3.36Å; A74-T130 PolarHBondContact N-O 3.43Å; A74-V132 HydrophobicContact CB-CG2 3.17Å; A74-T256 CarbonylContact O-C 3.57Å; A74-T256 WeakPolarHBondContact O-CA 3.34Å; A74-F257 PolarHBondContact O-N 3.32Å
75	S	90	Very high	86.3	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156.5	-178.8	68	0	0	0	0	110.9	T130 F255	S75-T130 PolarHBondContact N-O 2.97Å; S75-T130 PolarHBondContact O-N 3.33Å; S75-T130 VanDerWaalsContact OG-CB 3.31Å; S75-T130 WeakPolarHBondContact OG-CB 3.47Å; S75-T130 PolarHBondContact OG-OG1 3.19Å; S75-F255 VanDerWaalsContact CA-O 3.27Å; S75-F255 WeakPolarHBondContact CA-O 3.47Å; S75-F255 VanDerWaalsContact CB-O 3.26Å; S75-F255 WeakPolarHBondContact CB-O 3.31Å
76	M	90.2	Very high	86.3	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.4	173.6	-164.3	63.7	-176.4	0	0	108.2	M55 I79 I109 S127 A129 M254 F255	M55-M76 HydrophobicContact CE-CE 4.28Å; M76-I79 HydrophobicContact CE-CD1 3.46Å; M76-I79 VanDerWaalsContact CE-CD1 3.46Å; M76-I79 HydrophobicContact CE-CG1 3.95Å; M76-I79 HydrophobicContact CG-CD1 3.77Å; M76-I79 HydrophobicContact CG-CG1 4.18Å; M76-I79 HydrophobicContact SD-CD1 4.48Å; M76-I109 HydrophobicContact CE-CD1 4.07Å; M76-S127 WeakPolarHBondContact CE-OG 3.27Å; M76-A129 HydrophobicContact CE-CB 4.48Å; M76-A129 HydrophobicContact SD-CB 3.55Å; M76-A129 VanDerWaalsContact SD-CB 3.55Å; M76-M254 VanDerWaalsContact O-CA 3.28Å; M76-M254 WeakPolarHBondContact O-CA 3.34Å; M76-M254 VanDerWaalsContact O-CG 3.25Å; M76-M254 WeakPolarHBondContact O-CG 3.27Å; M76-F255 HydrophobicContact CB-CE1 4Å; M76-F255 HydrophobicContact CB-CE2 4.09Å; M76-F255 HydrophobicContact CB-CZ 3.72Å; M76-F255 HydrophobicContact CG-CZ 4.45Å; M76-F255 PolarHBondContact N-O 2.89Å; M76-F255 PolarHBondContact O-N 2.91Å; M76-F255 VanDerWaalsContact O-N 3.12Å
77	D	89.8	Confident	86.4	Confident	15 Å²	15	36.2 Å²	36.2	8%	0.08	22%	0.22	C	C	.	.			trans	-76	174.1	175.4	-68.8	1.4	0	0	0	110.5	I79 Y128 R168	D77-I79 WeakPolarHBondContact O-CG1 3.22Å; D77-I79 PolarHBondContact O-N 3.49Å; D77-Y128 WeakPolarHBondContact CB-O 3.33Å; D77-Y128 PolarHBondContact N-O 2.84Å; D77-R168 WeakPolarHBondContact OD1-CD 3.49Å; D77-R168 IonicContact OD1-CZ 3Å; D77-R168 IonicContact OD1-NE 2.68Å; D77-R168 PolarHBondContact OD1-NE 3.05Å; D77-R168 IonicContact OD1-NH2 3.74Å; D77-R168 IonicContact OD2-CZ 2.81Å; D77-R168 IonicContact OD2-NE 2.92Å; D77-R168 PolarHBondContact OD2-NE 3.37Å; D77-R168 IonicContact OD2-NH2 3.6Å; D77-R168 PolarHBondContact OD2-NH2 3.46Å
78	D	86.6	Confident	86.4	Confident	32 Å²	32	36.7 Å²	36.7	17%	0.171	23%	0.228	C	C	.	.			trans	-58.5	126.1	-178.9	-60.7	-41	0	0	0	110.5	I252 D253 M254 R345	D78-I252 WeakPolarHBondContact CA-O 3.46Å; D78-D253 WeakPolarHBondContact OD1-CA 3.3Å; D78-M254 WeakPolarHBondContact OD1-CB 3.33Å; D78-M254 PolarHBondContact OD1-N 3.14Å; D78-R345 IonicContact OD1-NH1 2.8Å; D78-R345 PolarHBondContact OD1-NH1 3.38Å; D78-R345 VanDerWaalsContact OD2-CD 3.26Å; D78-R345 WeakPolarHBondContact OD2-CD 3.33Å; D78-R345 IonicContact OD2-CZ 2.99Å; D78-R345 IonicContact OD2-NE 3.39Å; D78-R345 IonicContact OD2-NH1 2.66Å; D78-R345 PolarHBondContact OD2-NH1 2.9Å
79	I	89.5	Confident	86.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.5	177.8	-49.6	178.9	0	0	0	108.5	L52 M76 D77 F81 C125 A251 I252	L52-I79 HydrophobicContact CD2-CD1 3.5Å; L52-I79 VanDerWaalsContact CD2-CD1 3.5Å; M76-I79 HydrophobicContact CE-CD1 3.46Å; M76-I79 VanDerWaalsContact CE-CD1 3.46Å; M76-I79 HydrophobicContact CE-CG1 3.95Å; M76-I79 HydrophobicContact CG-CD1 3.77Å; M76-I79 HydrophobicContact CG-CG1 4.18Å; M76-I79 HydrophobicContact SD-CD1 4.48Å; D77-I79 WeakPolarHBondContact O-CG1 3.22Å; D77-I79 PolarHBondContact O-N 3.49Å; I79-F81 HydrophobicContact CB-CE2 4.48Å; I79-F81 HydrophobicContact CB-CZ 4.44Å; I79-F81 HydrophobicContact CG2-CD1 4.48Å; I79-F81 HydrophobicContact CG2-CD2 4.48Å; I79-F81 HydrophobicContact CG2-CE1 3.88Å; I79-F81 HydrophobicContact CG2-CE2 3.88Å; I79-F81 HydrophobicContact CG2-CZ 3.54Å; I79-C125 HydrophobicContact CG2-CB 4.37Å; I79-A251 CarbonylContact O-C 3.47Å; I79-A251 WeakPolarHBondContact O-CA 3.44Å; I79-I252 HydrophobicContact CB-CB 4.37Å; I79-I252 HydrophobicContact CD1-CD1 4.47Å; I79-I252 PolarHBondContact N-O 3.29Å; I79-I252 PolarHBondContact O-N 2.93Å
80	H	87.8	Confident	87.1	Confident	72 Å²	72	33.9 Å²	33.9	33%	0.333	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.6	173.9	-61.9	82.4	0	0	0	109	C125	H80-C125 WeakPolarHBondContact O-CB 3.28Å
81	F	87.3	Confident	87.6	Confident	10 Å²	10	32.8 Å²	32.8	4%	0.044	19%	0.187	C	C	.	.			trans	-98.4	110.7	178	-61.1	-76.9	0	0	0	108.7	V48 L51 L52 I79 C125 L249 R250 I252	V48-F81 HydrophobicContact CG1-CD1 4.38Å; V48-F81 HydrophobicContact CG1-CD2 4.33Å; V48-F81 HydrophobicContact CG1-CE1 3.69Å; V48-F81 HydrophobicContact CG1-CE2 3.63Å; V48-F81 HydrophobicContact CG1-CZ 3.25Å; L51-F81 HydrophobicContact CD2-CD1 4.27Å; L51-F81 HydrophobicContact CD2-CE1 3.88Å; L52-F81 HydrophobicContact CD2-CZ 4.2Å; I79-F81 HydrophobicContact CB-CE2 4.48Å; I79-F81 HydrophobicContact CB-CZ 4.44Å; I79-F81 HydrophobicContact CG2-CD1 4.48Å; I79-F81 HydrophobicContact CG2-CD2 4.48Å; I79-F81 HydrophobicContact CG2-CE1 3.88Å; I79-F81 HydrophobicContact CG2-CE2 3.88Å; I79-F81 HydrophobicContact CG2-CZ 3.54Å; F81-C125 HydrophobicContact CD1-CB 4.15Å; F81-C125 HydrophobicContact CE1-CB 4.47Å; F81-L249 HydrophobicContact CD2-CG 4.36Å; F81-L249 HydrophobicContact CE2-CD2 4.16Å; F81-L249 HydrophobicContact CE2-CG 4.24Å; F81-R250 PolarHBondContact N-O 2.87Å; F81-R250 WeakPolarHBondContact O-CD 3.26Å; F81-R250 PolarHBondContact O-NE 2.82Å; F81-R250 PolarHBondContact O-NH1 3.37Å; F81-I252 HydrophobicContact CE2-CD1 3.89Å; F81-I252 HydrophobicContact CE2-CG1 4.1Å; F81-I252 HydrophobicContact CZ-CD1 4.17Å
82	E	81.5	Confident	88	Confident	100 Å²	100	34 Å²	34	47%	0.467	19%	0.194	S	C	.	.			trans	-79.7	-40.3	-177.1	-68.1	-177.3	173.3	0	0	112.1	V124 R250	E82-V124 PolarHBondContact N-O 2.68Å; E82-R250 VanDerWaalsContact C-NH1 3.32Å; E82-R250 PolarHBondContact O-NH1 3.47Å
83	H	80.4	Confident	88.3	Confident	100 Å²	100	32.1 Å²	32.1	46%	0.463	18%	0.182	S	C	.	.	S	Bend	trans	-131.3	149.1	-176.3	-64.3	-80.6	0	0	0	111	W122 R123	H83-W122 AromaticContact CD2-CD1 3.83Å; H83-W122 AromaticContact CG-CD1 3.74Å; H83-R123 PolarHBondContact CD2-O 3.4Å
84	T	82.8	Confident	88.5	Confident	83 Å²	83	34.7 Å²	34.7	51%	0.509	19%	0.19	S	C	.	.			trans	-85.8	152.7	168.7	51	0	0	0	0	109.9
85	I	85.8	Confident	88.7	Confident	6 Å²	6	33.5 Å²	33.5	3%	0.031	18%	0.18	C	C	.	.			trans	-111.3	135.1	179.2	-52.3	-178.7	0	0	0	108.1	V35 E45 L46 Q89 V91 C113 V124	V35-I85 HydrophobicContact CG2-CG2 3.74Å; E45-I85 CarbonylContact C-O 3.47Å; E45-I85 VanDerWaalsContact CA-O 3.31Å; E45-I85 WeakPolarHBondContact CA-O 3.33Å; L46-I85 HydrophobicContact CB-CB 3.98Å; L46-I85 HydrophobicContact CB-CG2 4.46Å; L46-I85 HydrophobicContact CD2-CB 4.2Å; L46-I85 HydrophobicContact CD2-CD1 3.85Å; L46-I85 HydrophobicContact CD2-CG1 4.48Å; L46-I85 PolarHBondContact N-O 3.33Å; I85-Q89 HydrophobicContact CG2-CB 3.97Å; I85-V91 HydrophobicContact CD1-CG1 4.23Å; I85-V91 HydrophobicContact CD1-CG2 3.62Å; I85-V91 HydrophobicContact CG2-CG2 4.08Å; I85-C113 HydrophobicContact CD1-CB 4.33Å; I85-C113 HydrophobicContact CG1-CB 4.39Å; I85-V124 HydrophobicContact CD1-CB 4.44Å; I85-V124 HydrophobicContact CD1-CG1 4.1Å; I85-V124 HydrophobicContact CD1-CG2 3.76Å; I85-V124 HydrophobicContact CG1-CG1 4.26Å; I85-V124 HydrophobicContact CG1-CG2 3.9Å
86	S	87.1	Confident	88.7	Confident	50 Å²	50	35 Å²	35	35%	0.35	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-102.8	161.2	-179.3	-62.2	0	0	0	0	112.2	Q44 G88 Q89	Q44-S86 WeakPolarHBondContact O-CA 3.21Å; S86-G88 PolarHBondContact O-N 3.22Å; S86-Q89 WeakPolarHBondContact O-CB 3.45Å; S86-Q89 PolarHBondContact O-N 3.16Å
87	V	88.5	Confident	88.7	Confident	49 Å²	49	34.9 Å²	34.9	30%	0.297	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	136.6	171.3	175	0	0	0	0	110.7	P37 C40 Q44	P37-V87 HydrophobicContact CG-CG1 4.12Å; C40-V87 HydrophobicContact CB-CG2 3.83Å; C40-V87 WeakPolarHBondContact SG-CG2 3.46Å; Q44-V87 HydrophobicContact CB-CB 4.31Å; Q44-V87 HydrophobicContact CB-CG2 3.69Å; Q44-V87 HydrophobicContact CG-CG2 4.41Å; Q44-V87 WeakPolarHBondContact O-CG2 3.14Å; Q44-V87 PolarHBondContact O-N 2.69Å
88	G	85.8	Confident	88.6	Confident	28 Å²	28	34.7 Å²	34.7	29%	0.289	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-14.8	177.8	0	0	0	0	0	114.6	V35 S86	V35-G88 PolarHBondContact O-N 3.12Å; S86-G88 PolarHBondContact O-N 3.22Å
89	Q	89.9	Confident	88.6	Confident	26 Å²	26	35.4 Å²	35.4	12%	0.121	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-78.3	156.6	173.2	-63.7	176	-24.2	0	0	111.1	V35 I85 S86 W122	V35-Q89 WeakPolarHBondContact CG2-O 3.47Å; V35-Q89 PolarHBondContact N-O 2.84Å; I85-Q89 HydrophobicContact CG2-CB 3.97Å; S86-Q89 WeakPolarHBondContact O-CB 3.45Å; S86-Q89 PolarHBondContact O-N 3.16Å; Q89-W122 VanDerWaalsContact NE2-CH2 3.34Å
90	V	90.8	Very high	88.5	Confident	18 Å²	18	35.6 Å²	35.6	11%	0.109	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.6	177.8	179.9	0	0	0	0	109.4	I34 C113 E114 L116	I34-V90 HydrophobicContact CB-CG2 4.45Å; I34-V90 HydrophobicContact CG1-CG2 4.41Å; V90-C113 WeakPolarHBondContact O-CA 3.49Å; V90-E114 HydrophobicContact CB-CB 4.47Å; V90-E114 PolarHBondContact N-O 2.92Å; V90-E114 PolarHBondContact O-N 2.98Å; V90-L116 HydrophobicContact CG2-CD1 3.68Å; V90-L116 HydrophobicContact CG2-CD2 3.97Å; V90-L116 HydrophobicContact CG2-CG 3.77Å
91	V	93.1	Very high	88.5	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124	174.2	-170.9	0	0	0	0	108.8	S32 Q33 V35 L46 L51 W54 I85 I93 V111	S32-V91 WeakPolarHBondContact CA-O 3.26Å; Q33-V91 PolarHBondContact N-O 2.83Å; Q33-V91 PolarHBondContact O-N 3.26Å; V35-V91 HydrophobicContact CG2-CG2 3.57Å; L46-V91 HydrophobicContact CD2-CG2 4.14Å; L51-V91 HydrophobicContact CD1-CG1 3.96Å; W54-V91 HydrophobicContact CZ3-CG2 4.34Å; I85-V91 HydrophobicContact CD1-CG1 4.23Å; I85-V91 HydrophobicContact CD1-CG2 3.62Å; I85-V91 HydrophobicContact CG2-CG2 4.08Å; V91-I93 HydrophobicContact CG1-CD1 4.34Å; V91-I93 HydrophobicContact CG1-CG1 3.91Å; V91-V111 HydrophobicContact CG1-CG1 3.68Å
92	N	93.6	Very high	88.4	Confident	28 Å²	28	38.1 Å²	38.1	15%	0.15	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.8	175.8	-70.6	-35.3	0	0	0	108.7	S32 V111 S112 E114	S32-N92 VanDerWaalsContact CB-OD1 3.3Å; S32-N92 WeakPolarHBondContact CB-OD1 3.45Å; S32-N92 PolarHBondContact OG-OD1 2.81Å; N92-V111 WeakPolarHBondContact O-CA 3.26Å; N92-S112 WeakPolarHBondContact CB-OG 3.49Å; N92-S112 PolarHBondContact N-O 3.45Å; N92-S112 PolarHBondContact O-N 2.88Å; N92-E114 PolarHBondContact ND2-OE2 2.96Å
93	I	94.6	Very high	88.5	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.4	179.5	-53.4	179.3	0	0	0	108.2	K30 M31 L51 W54 M55 T58 V91 I109 H110 V111	K30-I93 CarbonylContact C-O 3.59Å; K30-I93 WeakPolarHBondContact CA-O 3.32Å; M31-I93 HydrophobicContact CB-CB 4.46Å; M31-I93 PolarHBondContact N-O 3.21Å; M31-I93 PolarHBondContact O-N 3.04Å; L51-I93 HydrophobicContact CD1-CD1 4.32Å; W54-I93 HydrophobicContact CB-CD1 3.52Å; M55-I93 HydrophobicContact CG-CD1 4.23Å; T58-I93 HydrophobicContact CG2-CG2 4.05Å; V91-I93 HydrophobicContact CG1-CD1 4.34Å; V91-I93 HydrophobicContact CG1-CG1 3.91Å; I93-I109 HydrophobicContact CG2-CG2 3.85Å; I93-H110 WeakPolarHBondContact CA-O 3.45Å; I93-V111 HydrophobicContact CG1-CG1 4.37Å; I93-V111 HydrophobicContact CG1-CG2 4.27Å; I93-V111 HydrophobicContact CG2-CG2 4.39Å
94	R	93.7	Very high	88.9	Confident	69 Å²	69	31.2 Å²	31.2	26%	0.26	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.5	172.8	-56.1	-172.7	-178.8	169.4	2.9	108.9	E17 K30 I109 H110	E17-R94 IonicContact OE2-CZ 3.12Å; E17-R94 IonicContact OE2-NH1 3.97Å; E17-R94 PolarHBondContact OE2-NH1 3.47Å; E17-R94 IonicContact OE2-NH2 3.34Å; K30-R94 HydrophobicContact CD-CG 4.39Å; K30-R94 HydrophobicContact CG-CG 4.08Å; R94-I109 WeakPolarHBondContact O-CA 3.32Å; R94-H110 HydrophobicContact CB-CB 4.49Å; R94-H110 PolarHBondContact N-O 3.47Å; R94-H110 PolarHBondContact O-N 3.45Å
95	A	93.3	Very high	89.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.7	176.9	0	0	0	0	0	111	E28 V29 T58 A59 V107 G108	E28-A95 WeakPolarHBondContact CA-O 3.48Å; V29-A95 PolarHBondContact N-O 3.2Å; V29-A95 PolarHBondContact O-N 3.47Å; T58-A95 HydrophobicContact CG2-CB 3.85Å; A59-A95 HydrophobicContact CB-CB 4.39Å; A95-V107 HydrophobicContact CB-CG1 4.11Å; A95-G108 VanDerWaalsContact CA-O 3.3Å; A95-G108 WeakPolarHBondContact CA-O 3.37Å
96	K	91.1	Very high	89.6	Confident	41 Å²	41	27 Å²	27	18%	0.178	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140.1	-178.5	177.8	-176.3	173.7	-178.3	0	110.9	N25 N98 V107 G108 E154	N25-K96 WeakPolarHBondContact ND2-CE 3.39Å; N25-K96 PolarHBondContact ND2-NZ 2.78Å; K96-N98 PolarHBondContact O-N 3.37Å; K96-V107 CarbonylContact O-C 3.6Å; K96-V107 VanDerWaalsContact O-CA 3.3Å; K96-V107 WeakPolarHBondContact O-CA 3.4Å; K96-V107 WeakPolarHBondContact O-CG1 3.39Å; K96-G108 PolarHBondContact N-O 3.16Å; K96-G108 PolarHBondContact O-N 3.32Å; K96-E154 VanDerWaalsContact NZ-CD 3.34Å; K96-E154 IonicContact NZ-OE1 3.45Å; K96-E154 PolarHBondContact NZ-OE1 3.24Å
97	V	90.7	Very high	89.9	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.4	172.3	-175.3	0	0	0	0	109	T27 H66 M105 V107 V147	T27-V97 HydrophobicContact CG2-CB 4.36Å; T27-V97 HydrophobicContact CG2-CG2 4.29Å; H66-V97 HydrophobicContact CB-CG2 3.92Å; V97-M105 HydrophobicContact CG1-CB 4.17Å; V97-M105 HydrophobicContact CG1-SD 4.43Å; V97-M105 HydrophobicContact CG2-SD 4.28Å; V97-V107 HydrophobicContact CG2-CG2 4.24Å; V97-V147 HydrophobicContact CG1-CG2 3.86Å
98	N	87.4	Confident	90	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.064	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-40.8	177.7	-63.3	-15.1	0	0	0	111	K96 E106 Y128	K96-N98 PolarHBondContact O-N 3.37Å; N98-E106 PolarHBondContact N-O 2.74Å; N98-E106 PolarHBondContact ND2-OE1 3Å; N98-E106 VanDerWaalsContact ND2-OE1 3.16Å; N98-Y128 WeakPolarHBondContact ND2-CE1 3.3Å
99	R	86.3	Confident	90.3	Very high	46 Å²	46	21.3 Å²	21.3	17%	0.174	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	127.8	-176.3	-175.2	162.5	-177	170.3	0.2	112.1	F101 M105 E106 Y158 A161	R99-F101 HydrophobicContact CG-CD1 4.46Å; R99-F101 HydrophobicContact CG-CE1 4.13Å; R99-F101 HydrophobicContact CG-CE2 4.34Å; R99-F101 HydrophobicContact CG-CZ 4.06Å; R99-M105 CarbonylContact O-C 3.5Å; R99-M105 WeakPolarHBondContact O-CA 3.44Å; R99-E106 PolarHBondContact N-O 2.95Å; R99-E106 PolarHBondContact O-N 2.87Å; R99-Y158 HydrophobicContact CB-CD2 4.11Å; R99-Y158 HydrophobicContact CB-CE2 4.32Å; R99-Y158 WeakPolarHBondContact CD-O 3.46Å; R99-Y158 HydrophobicContact CG-CD2 3.88Å; R99-Y158 HydrophobicContact CG-CE2 3.63Å; R99-Y158 PolarHBondContact NE-OH 2.89Å; R99-Y158 PolarHBondContact NH1-O 2.69Å; R99-A161 HydrophobicContact CB-CB 3.78Å
100	A	88.1	Confident	90.5	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.041	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.2	164.6	0	0	0	0	0	110.4	M105 L144 R145 V147	A100-M105 HydrophobicContact CB-CB 4.45Å; A100-L144 HydrophobicContact CB-CB 4.15Å; A100-L144 HydrophobicContact CB-CD1 4.47Å; A100-R145 VanDerWaalsContact CB-O 3.29Å; A100-R145 WeakPolarHBondContact CB-O 3.38Å; A100-V147 HydrophobicContact CB-CG2 4.07Å
101	F	86.5	Confident	90.6	Very high	31 Å²	31	20.9 Å²	20.9	14%	0.136	10%	0.104	C	C	.	.			trans	-101.7	-143.4	171.3	-57.6	-82.5	0	0	0	109.2	R99 S104 R165	R99-F101 HydrophobicContact CG-CD1 4.46Å; R99-F101 HydrophobicContact CG-CE1 4.13Å; R99-F101 HydrophobicContact CG-CE2 4.34Å; R99-F101 HydrophobicContact CG-CZ 4.06Å; F101-S104 WeakPolarHBondContact CA-O 3.48Å; F101-S104 VanDerWaalsContact CB-O 3.3Å; F101-S104 WeakPolarHBondContact CB-O 3.17Å; F101-S104 WeakPolarHBondContact CD2-O 3.34Å; F101-S104 PolarHBondContact N-O 2.9Å; F101-R165 VanDerWaalsContact CB-NH1 3.32Å; F101-R165 HydrophobicContact CZ-CB 4.05Å; F101-R165 HydrophobicContact CZ-CG 4.38Å
102	N	84.7	Confident	90.6	Very high	103 Å²	103	21.9 Å²	21.9	55%	0.551	11%	0.111	S	C	*	.	S	Bend	trans	-75.7	-62.4	179.7	-165.5	-10.5	0	0	0	111.5	L144	N102-L144 PolarHBondContact O-N 3.48Å
103	T	84.8	Confident	90.4	Very high	40 Å²	40	20.5 Å²	20.5	25%	0.245	10%	0.104	C	C	.	.	S	Bend	trans	-116.9	-7.2	179.5	59.9	0	0	0	0	113.4	V132 T133 K141	T103-V132 WeakPolarHBondContact O-CA 3.3Å; T103-V132 WeakPolarHBondContact O-CG1 3.15Å; T103-T133 PolarHBondContact O-N 2.84Å; T103-T133 PolarHBondContact O-OG1 2.8Å; T103-K141 HydrophobicContact CG2-CB 4.13Å; T103-K141 HydrophobicContact CG2-CD 4.19Å; T103-K141 HydrophobicContact CG2-CG 4.49Å
104	S	88.4	Confident	90.2	Very high	15 Å²	15	23.3 Å²	23.3	11%	0.105	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.2	-176.4	61.6	0	0	0	0	110.3	F101 F131	F101-S104 WeakPolarHBondContact CA-O 3.48Å; F101-S104 VanDerWaalsContact CB-O 3.3Å; F101-S104 WeakPolarHBondContact CB-O 3.17Å; F101-S104 WeakPolarHBondContact CD2-O 3.34Å; F101-S104 PolarHBondContact N-O 2.9Å; S104-F131 CarbonylContact C-O 3.59Å; S104-F131 WeakPolarHBondContact CA-O 3.41Å
105	M	91.4	Very high	89.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.4	173.2	65.1	-168.5	87	0	0	111	A63 H66 A67 V97 R99 A100 V107 T130 F131 T133 L144	A63-M105 WeakPolarHBondContact CA-SD 2.91Å; A63-M105 HydrophobicContact CB-CE 4.35Å; A63-M105 HydrophobicContact CB-CG 4.2Å; A63-M105 HydrophobicContact CB-SD 3.51Å; A63-M105 VanDerWaalsContact CB-SD 3.51Å; H66-M105 HydrophobicContact CB-SD 4.47Å; A67-M105 HydrophobicContact CB-CE 3.79Å; V97-M105 HydrophobicContact CG1-CB 4.17Å; V97-M105 HydrophobicContact CG1-SD 4.43Å; V97-M105 HydrophobicContact CG2-SD 4.28Å; R99-M105 CarbonylContact O-C 3.5Å; R99-M105 WeakPolarHBondContact O-CA 3.44Å; A100-M105 HydrophobicContact CB-CB 4.45Å; M105-V107 HydrophobicContact CG-CG2 4.35Å; M105-T130 WeakPolarHBondContact O-CA 3.46Å; M105-F131 HydrophobicContact CG-CB 4.07Å; M105-F131 PolarHBondContact N-O 3.19Å; M105-F131 PolarHBondContact O-N 2.89Å; M105-T133 HydrophobicContact CE-CG2 4.2Å; M105-L144 HydrophobicContact CB-CD1 4.21Å; M105-L144 HydrophobicContact CE-CD1 3.5Å; M105-L144 VanDerWaalsContact CE-CD1 3.5Å; M105-L144 HydrophobicContact CE-CD2 3.56Å; M105-L144 HydrophobicContact CE-CG 4.17Å
106	E	91.8	Very high	89.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.4	171.1	-174.3	-170.3	93.2	0	0	109.5	N98 R99 A129 A161 R164 R168	N98-E106 PolarHBondContact N-O 2.74Å; N98-E106 PolarHBondContact ND2-OE1 3Å; N98-E106 VanDerWaalsContact ND2-OE1 3.16Å; R99-E106 PolarHBondContact N-O 2.95Å; R99-E106 PolarHBondContact O-N 2.87Å; E106-A129 WeakPolarHBondContact CA-O 3.34Å; E106-A161 WeakPolarHBondContact OE1-CB 3.13Å; E106-R164 IonicContact OE1-CZ 3.07Å; E106-R164 IonicContact OE1-NE 3.65Å; E106-R164 PolarHBondContact OE1-NE 3.06Å; E106-R164 IonicContact OE1-NH2 3.91Å; E106-R164 PolarHBondContact OE1-NH2 2.93Å; E106-R164 IonicContact OE2-CZ 3.9Å; E106-R164 IonicContact OE2-NE 2.66Å; E106-R164 PolarHBondContact OE2-NE 3.39Å; E106-R164 VanDerWaalsContact OE2-NE 3.12Å; E106-R164 IonicContact OE2-NH2 3.85Å; E106-R168 IonicContact OE2-CZ 3.04Å; E106-R168 IonicContact OE2-NH1 2.7Å; E106-R168 IonicContact OE2-NH2 3.86Å; E106-R168 PolarHBondContact OE2-NH2 3.34Å
107	V	92.5	Very high	88.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122	176.9	-173.7	0	0	0	0	108.4	A59 A63 A95 K96 V97 M105 Y128 A129 F131	A59-V107 HydrophobicContact CB-CB 4.43Å; A59-V107 HydrophobicContact CB-CG1 3.9Å; A63-V107 HydrophobicContact CB-CG2 4.19Å; A95-V107 HydrophobicContact CB-CG1 4.11Å; K96-V107 CarbonylContact O-C 3.6Å; K96-V107 VanDerWaalsContact O-CA 3.3Å; K96-V107 WeakPolarHBondContact O-CA 3.4Å; K96-V107 WeakPolarHBondContact O-CG1 3.39Å; V97-V107 HydrophobicContact CG2-CG2 4.24Å; M105-V107 HydrophobicContact CG-CG2 4.35Å; V107-Y128 WeakPolarHBondContact O-CA 3.24Å; V107-A129 PolarHBondContact N-O 2.85Å; V107-A129 PolarHBondContact O-N 2.87Å; V107-F131 HydrophobicContact CB-CD2 4.3Å; V107-F131 HydrophobicContact CB-CE2 4.44Å; V107-F131 HydrophobicContact CG2-CD2 3.74Å; V107-F131 HydrophobicContact CG2-CE2 4.27Å
108	G	91.7	Very high	88.2	Confident	8 Å²	8	36 Å²	36	8%	0.082	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.8	168.4	0	0	0	0	0	110.3	A95 K96	A95-G108 VanDerWaalsContact CA-O 3.3Å; A95-G108 WeakPolarHBondContact CA-O 3.37Å; K96-G108 PolarHBondContact N-O 3.16Å; K96-G108 PolarHBondContact O-N 3.32Å
109	I	92.9	Very high	87.6	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.6	-179.4	-52.2	171.6	0	0	0	108.1	M55 A59 M76 I93 R94 V111 H126 S127 A129	M55-I109 HydrophobicContact CB-CD1 4.39Å; M55-I109 HydrophobicContact CB-CG2 4.2Å; M55-I109 HydrophobicContact CE-CG2 4.01Å; M55-I109 HydrophobicContact CG-CG2 4.17Å; A59-I109 HydrophobicContact CB-CD1 3.46Å; A59-I109 VanDerWaalsContact CB-CD1 3.46Å; A59-I109 HydrophobicContact CB-CG1 3.8Å; M76-I109 HydrophobicContact CE-CD1 4.07Å; I93-I109 HydrophobicContact CG2-CG2 3.85Å; R94-I109 WeakPolarHBondContact O-CA 3.32Å; I109-V111 HydrophobicContact CG2-CG2 4.25Å; I109-H126 PolarHBondContact O-CD2 2.74Å; I109-S127 PolarHBondContact N-O 3.35Å; I109-S127 PolarHBondContact O-N 3.33Å; I109-A129 HydrophobicContact CD1-CB 4.06Å
110	H	92.9	Very high	87.4	Confident	34 Å²	34	48 Å²	48	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.4	175	-173.6	91.5	0	0	0	109.7	I93 R94 R123	I93-H110 WeakPolarHBondContact CA-O 3.45Å; R94-H110 HydrophobicContact CB-CB 4.49Å; R94-H110 PolarHBondContact N-O 3.47Å; R94-H110 PolarHBondContact O-N 3.45Å; H110-R123 PolarHBondContact CE1-NE 3.2Å; H110-R123 VanDerWaalsContact CE1-NE 3.3Å
111	V	92.8	Very high	87.3	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.6	176.9	-175.7	0	0	0	0	108.9	L51 M55 V91 N92 I93 I109 V124 C125	L51-V111 HydrophobicContact CD1-CG1 4.03Å; M55-V111 HydrophobicContact CE-CG2 3.99Å; M55-V111 HydrophobicContact CG-CG2 3.83Å; M55-V111 HydrophobicContact SD-CG2 3.98Å; V91-V111 HydrophobicContact CG1-CG1 3.68Å; N92-V111 WeakPolarHBondContact O-CA 3.26Å; I93-V111 HydrophobicContact CG1-CG1 4.37Å; I93-V111 HydrophobicContact CG1-CG2 4.27Å; I93-V111 HydrophobicContact CG2-CG2 4.39Å; I109-V111 HydrophobicContact CG2-CG2 4.25Å; V111-V124 HydrophobicContact CB-CB 4.43Å; V111-V124 HydrophobicContact CG1-CB 4.03Å; V111-V124 HydrophobicContact CG1-CG1 4.47Å; V111-V124 PolarHBondContact O-N 2.98Å; V111-C125 VanDerWaalsContact CG2-SG 3.52Å; V111-C125 PolarHBondContact N-O 3.4Å; V111-C125 PolarHBondContact O-N 2.92Å
112	S	92.6	Very high	87.3	Confident	22 Å²	22	55.6 Å²	55.6	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	155.8	169	55.9	0	0	0	0	110.5	N92 W122	N92-S112 WeakPolarHBondContact CB-OG 3.49Å; N92-S112 PolarHBondContact N-O 3.45Å; N92-S112 PolarHBondContact O-N 2.88Å; S112-W122 WeakPolarHBondContact CA-O 3.48Å
113	C	90.8	Very high	87.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.4	174.9	-175.2	0	0	0	0	108.7	I85 V90 H121 W122 V124	I85-C113 HydrophobicContact CD1-CB 4.33Å; I85-C113 HydrophobicContact CG1-CB 4.39Å; V90-C113 WeakPolarHBondContact O-CA 3.49Å; C113-H121 VanDerWaalsContact O-CA 3.3Å; C113-H121 WeakPolarHBondContact O-CA 3.44Å; C113-W122 HydrophobicContact CB-CD2 4.42Å; C113-W122 HydrophobicContact CB-CZ2 4Å; C113-W122 PolarHBondContact N-O 2.87Å; C113-W122 PolarHBondContact O-N 3.15Å; C113-W122 VanDerWaalsContact SG-CZ2 3.58Å; C113-V124 HydrophobicContact CB-CG2 3.52Å
114	E	89.7	Confident	87.6	Confident	62 Å²	62	55 Å²	55	29%	0.29	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.1	-179.7	-176.6	-171.2	153	0	0	108.7	V90 N92 R120	V90-E114 HydrophobicContact CB-CB 4.47Å; V90-E114 PolarHBondContact N-O 2.92Å; V90-E114 PolarHBondContact O-N 2.98Å; N92-E114 PolarHBondContact ND2-OE2 2.96Å; E114-R120 WeakPolarHBondContact CA-O 3.45Å
115	D	87.3	Confident	87.6	Confident	29 Å²	29	54.4 Å²	54.4	16%	0.155	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.6	170.9	-177.5	16.8	0	0	0	110.4	F117 S118 D119 R120 W122	D115-F117 PolarHBondContact O-N 3.38Å; D115-F117 VanDerWaalsContact O-N 3.09Å; D115-F117 PolarHBondContact OD1-N 2.81Å; D115-S118 PolarHBondContact O-N 3.1Å; D115-S118 WeakPolarHBondContact OD2-CB 3.44Å; D115-S118 PolarHBondContact OD2-OG 3.04Å; D115-D119 PolarHBondContact O-N 2.99Å; D115-R120 PolarHBondContact N-O 2.73Å; D115-W122 HydrophobicContact CB-CH2 4.14Å; D115-W122 HydrophobicContact CB-CZ3 4.12Å
116	L	80.9	Confident	87.4	Confident	94 Å²	94	58.2 Å²	58.2	49%	0.492	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	-175.3	-63.7	174.8	0	0	0	114.1	V90	V90-L116 HydrophobicContact CG2-CD1 3.68Å; V90-L116 HydrophobicContact CG2-CD2 3.97Å; V90-L116 HydrophobicContact CG2-CG 3.77Å
117	F	80.4	Confident	87.4	Confident	188 Å²	188	58.2 Å²	58.2	83%	0.825	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-27.6	-178	-63	-76	0	0	0	113.4	D115	D115-F117 PolarHBondContact O-N 3.38Å; D115-F117 VanDerWaalsContact O-N 3.09Å; D115-F117 PolarHBondContact OD1-N 2.81Å
118	S	77.6	Confident	87.3	Confident	67 Å²	67	60.3 Å²	60.3	47%	0.469	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-5.1	-176.9	-51.6	0	0	0	0	113	D115 R120	D115-S118 PolarHBondContact O-N 3.1Å; D115-S118 WeakPolarHBondContact OD2-CB 3.44Å; D115-S118 PolarHBondContact OD2-OG 3.04Å; S118-R120 PolarHBondContact O-N 2.85Å; S118-R120 VanDerWaalsContact O-N 3.14Å
119	D	75.6	Confident	87.3	Confident	133 Å²	133	59.9 Å²	59.9	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	34.9	-172.5	-155.9	24.8	0	0	0	112.8	D115	D115-D119 PolarHBondContact O-N 2.99Å
120	R	83	Confident	87.3	Confident	175 Å²	175	60.4 Å²	60.4	66%	0.66	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.2	180	-76.2	-176.6	177.1	-174.8	-0.5	109.4	E114 D115 S118 W122	E114-R120 WeakPolarHBondContact CA-O 3.45Å; D115-R120 PolarHBondContact N-O 2.73Å; S118-R120 PolarHBondContact O-N 2.85Å; S118-R120 VanDerWaalsContact O-N 3.14Å; R120-W122 HydrophobicContact CB-CE3 4.12Å; R120-W122 HydrophobicContact CB-CZ3 3.86Å; R120-W122 WeakPolarHBondContact O-CZ3 3.42Å
121	H	84.9	Confident	87.2	Confident	133 Å²	133	58.8 Å²	58.8	62%	0.616	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.9	169.4	54.8	67.4	0	0	0	110.7	C113	C113-H121 VanDerWaalsContact O-CA 3.3Å; C113-H121 WeakPolarHBondContact O-CA 3.44Å
122	W	87	Confident	87	Confident	64 Å²	64	60.7 Å²	60.7	24%	0.242	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.3	170.9	61.2	91.1	0	0	0	111.1	H83 Q89 S112 C113 D115 R120	H83-W122 AromaticContact CD2-CD1 3.83Å; H83-W122 AromaticContact CG-CD1 3.74Å; Q89-W122 VanDerWaalsContact NE2-CH2 3.34Å; S112-W122 WeakPolarHBondContact CA-O 3.48Å; C113-W122 HydrophobicContact CB-CD2 4.42Å; C113-W122 HydrophobicContact CB-CZ2 4Å; C113-W122 PolarHBondContact N-O 2.87Å; C113-W122 PolarHBondContact O-N 3.15Å; C113-W122 VanDerWaalsContact SG-CZ2 3.58Å; D115-W122 HydrophobicContact CB-CH2 4.14Å; D115-W122 HydrophobicContact CB-CZ3 4.12Å; R120-W122 HydrophobicContact CB-CE3 4.12Å; R120-W122 HydrophobicContact CB-CZ3 3.86Å; R120-W122 WeakPolarHBondContact O-CZ3 3.42Å
123	R	87.2	Confident	86.7	Confident	130 Å²	130	60.2 Å²	60.2	49%	0.491	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.1	175.5	-170.2	179	-62.9	-179.7	-2.9	109.7	H83 H110	H83-R123 PolarHBondContact CD2-O 3.4Å; H110-R123 PolarHBondContact CE1-NE 3.2Å; H110-R123 VanDerWaalsContact CE1-NE 3.3Å
124	V	87.8	Confident	86	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-52.5	178.1	175.5	0	0	0	0	110.5	L51 E82 I85 V111 C113	L51-V124 HydrophobicContact CD2-CG1 4.39Å; E82-V124 PolarHBondContact N-O 2.68Å; I85-V124 HydrophobicContact CD1-CB 4.44Å; I85-V124 HydrophobicContact CD1-CG1 4.1Å; I85-V124 HydrophobicContact CD1-CG2 3.76Å; I85-V124 HydrophobicContact CG1-CG1 4.26Å; I85-V124 HydrophobicContact CG1-CG2 3.9Å; V111-V124 HydrophobicContact CB-CB 4.43Å; V111-V124 HydrophobicContact CG1-CB 4.03Å; V111-V124 HydrophobicContact CG1-CG1 4.47Å; V111-V124 PolarHBondContact O-N 2.98Å; C113-V124 HydrophobicContact CB-CG2 3.52Å
125	C	87.8	Confident	85.1	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	156	177.9	67.2	0	0	0	0	111.6	I79 H80 F81 V111	I79-C125 HydrophobicContact CG2-CB 4.37Å; H80-C125 WeakPolarHBondContact O-CB 3.28Å; F81-C125 HydrophobicContact CD1-CB 4.15Å; F81-C125 HydrophobicContact CE1-CB 4.47Å; V111-C125 VanDerWaalsContact CG2-SG 3.52Å; V111-C125 PolarHBondContact N-O 3.4Å; V111-C125 PolarHBondContact O-N 2.92Å
126	H	88.9	Confident	84	Confident	80 Å²	80	68.7 Å²	68.7	37%	0.37	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.7	170	-179.1	-143.3	0	0	0	107.8	I109 Y128	I109-H126 PolarHBondContact O-CD2 2.74Å; H126-Y128 AromaticContact CE1-CZ 3.45Å; H126-Y128 VanDerWaalsContact CE1-CZ 3.45Å; H126-Y128 PolarHBondContact CE1-OH 3.14Å; H126-Y128 AromaticContact NE2-CE1 3.96Å; H126-Y128 AromaticContact NE2-CZ 3.78Å
127	S	90.3	Very high	82.8	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	163.1	-174.4	65.5	0	0	0	0	111.9	M55 M76 I109	M55-S127 WeakPolarHBondContact CE-OG 3.26Å; M76-S127 WeakPolarHBondContact CE-OG 3.27Å; I109-S127 PolarHBondContact N-O 3.35Å; I109-S127 PolarHBondContact O-N 3.33Å
128	Y	91.6	Very high	81.8	Confident	43 Å²	43	68.2 Å²	68.2	17%	0.169	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.4	178.3	-56.7	-81.4	0	0	0	110	D77 N98 V107 H126 R164	D77-Y128 WeakPolarHBondContact CB-O 3.33Å; D77-Y128 PolarHBondContact N-O 2.84Å; N98-Y128 WeakPolarHBondContact ND2-CE1 3.3Å; V107-Y128 WeakPolarHBondContact O-CA 3.24Å; H126-Y128 AromaticContact CE1-CZ 3.45Å; H126-Y128 VanDerWaalsContact CE1-CZ 3.45Å; H126-Y128 PolarHBondContact CE1-OH 3.14Å; H126-Y128 AromaticContact NE2-CE1 3.96Å; H126-Y128 AromaticContact NE2-CZ 3.78Å; Y128-R164 VanDerWaalsContact CZ-NH1 3.32Å; Y128-R164 PolarHBondContact OH-NH1 3.04Å
129	A	91.9	Very high	81.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.9	178.1	0	0	0	0	0	109.9	M76 E106 V107 I109 F131	M76-A129 HydrophobicContact CE-CB 4.48Å; M76-A129 HydrophobicContact SD-CB 3.55Å; M76-A129 VanDerWaalsContact SD-CB 3.55Å; E106-A129 WeakPolarHBondContact CA-O 3.34Å; V107-A129 PolarHBondContact N-O 2.85Å; V107-A129 PolarHBondContact O-N 2.87Å; I109-A129 HydrophobicContact CD1-CB 4.06Å; A129-F131 HydrophobicContact CB-CD2 4.1Å; A129-F131 HydrophobicContact CB-CE2 3.51Å; A129-F131 HydrophobicContact CB-CZ 4.38Å
130	T	91.9	Very high	80.5	Confident	12 Å²	12	67.2 Å²	67.2	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.8	170.1	-57.8	0	0	0	0	109.5	A74 S75 M105 R168	A74-T130 HydrophobicContact CB-CG2 4.42Å; A74-T130 WeakPolarHBondContact CB-O 3.36Å; A74-T130 PolarHBondContact N-O 3.43Å; S75-T130 PolarHBondContact N-O 2.97Å; S75-T130 PolarHBondContact O-N 3.33Å; S75-T130 VanDerWaalsContact OG-CB 3.31Å; S75-T130 WeakPolarHBondContact OG-CB 3.47Å; S75-T130 PolarHBondContact OG-OG1 3.19Å; M105-T130 WeakPolarHBondContact O-CA 3.46Å; T130-R168 PolarHBondContact OG1-NE 2.92Å; T130-R168 PolarHBondContact OG1-NH1 2.64Å; T130-R168 VanDerWaalsContact OG1-NH1 3.08Å
131	F	91.1	Very high	79.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.9	174.9	-73.8	-92.4	0	0	0	110.6	A59 C60 A63 C71 V72 T73 S104 M105 V107 A129	A59-F131 HydrophobicContact CB-CE2 3.53Å; A59-F131 HydrophobicContact CB-CZ 3.77Å; C60-F131 HydrophobicContact CB-CD1 4.46Å; C60-F131 HydrophobicContact CB-CE1 3.68Å; C60-F131 HydrophobicContact CB-CZ 4.11Å; A63-F131 HydrophobicContact CB-CB 3.82Å; A63-F131 HydrophobicContact CB-CD1 4.35Å; A63-F131 HydrophobicContact CB-CD2 4.21Å; A63-F131 HydrophobicContact CB-CG 3.86Å; C71-F131 HydrophobicContact CB-CB 4.3Å; C71-F131 HydrophobicContact CB-CD1 4.23Å; V72-F131 WeakPolarHBondContact O-CA 3.39Å; T73-F131 HydrophobicContact CG2-CE1 4.27Å; T73-F131 HydrophobicContact CG2-CZ 4.25Å; T73-F131 VanDerWaalsContact OG1-CE1 3.26Å; T73-F131 WeakPolarHBondContact OG1-CE1 3.32Å; S104-F131 CarbonylContact C-O 3.59Å; S104-F131 WeakPolarHBondContact CA-O 3.41Å; M105-F131 HydrophobicContact CG-CB 4.07Å; M105-F131 PolarHBondContact N-O 3.19Å; M105-F131 PolarHBondContact O-N 2.89Å; V107-F131 HydrophobicContact CB-CD2 4.3Å; V107-F131 HydrophobicContact CB-CE2 4.44Å; V107-F131 HydrophobicContact CG2-CD2 3.74Å; V107-F131 HydrophobicContact CG2-CE2 4.27Å; A129-F131 HydrophobicContact CB-CD2 4.1Å; A129-F131 HydrophobicContact CB-CE2 3.51Å; A129-F131 HydrophobicContact CB-CZ 4.38Å
132	V	89.2	Confident	79.5	Confident	39 Å²	39	60.6 Å²	60.6	24%	0.236	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.7	176.1	-142.9	0	0	0	0	109.1	C71 V72 A74 T103	C71-V132 WeakPolarHBondContact CA-O 3.29Å; V72-V132 PolarHBondContact N-O 2.65Å; V72-V132 PolarHBondContact O-N 2.86Å; A74-V132 HydrophobicContact CB-CG2 3.17Å; T103-V132 WeakPolarHBondContact O-CA 3.3Å; T103-V132 WeakPolarHBondContact O-CG1 3.15Å
133	T	85.8	Confident	79.2	Confident	13 Å²	13	62.4 Å²	62.4	8%	0.08	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	134.3	172.3	52.8	0	0	0	0	110.2	A67 L70 T103 M105 V142 L144	A67-T133 HydrophobicContact CB-CG2 3.71Å; L70-T133 WeakPolarHBondContact O-CA 3.49Å; T103-T133 PolarHBondContact O-N 2.84Å; T103-T133 PolarHBondContact O-OG1 2.8Å; M105-T133 HydrophobicContact CE-CG2 4.2Å; T133-V142 HydrophobicContact CG2-CB 4.43Å; T133-V142 HydrophobicContact CG2-CG1 4.45Å; T133-L144 HydrophobicContact CG2-CD1 4.44Å; T133-L144 HydrophobicContact CG2-CD2 3.57Å; T133-L144 HydrophobicContact CG2-CG 4.21Å
134	Q	76.1	Confident	78.9	Confident	44 Å²	44	56.7 Å²	56.7	21%	0.206	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-70.9	153	169	-64.2	-159.9	-19	0	0	110.7	L70 V72 N219	L70-Q134 PolarHBondContact O-N 2.76Å; V72-Q134 HydrophobicContact CG1-CG 4.08Å; V72-Q134 HydrophobicContact CG2-CG 4.04Å; Q134-N219 PolarHBondContact NE2-ND2 3.45Å; Q134-N219 PolarHBondContact OE1-ND2 3.5Å
135	R	71.4	Confident	78.7	Confident	162 Å²	162	65.5 Å²	65.5	61%	0.611	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-66.9	139.8	174	-67.7	178.8	-178.6	-157.5	12.9	108.6	G139 Q140	R135-G139 WeakPolarHBondContact CD-O 3.28Å; R135-G139 PolarHBondContact NH1-O 2.97Å; R135-Q140 WeakPolarHBondContact CA-O 3.29Å
136	T	62.8	Low	78.4	Confident	62 Å²	62	70.3 Å²	70.3	38%	0.38	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-59.8	163.1	168.8	31.6	0	0	0	0	110.7	T138 G139 V142	T136-T138 PolarHBondContact O-N 3.21Å; T136-T138 PolarHBondContact OG1-OG1 2.9Å; T136-T138 VanDerWaalsContact OG1-OG1 3.13Å; T136-G139 PolarHBondContact O-N 2.98Å; T136-V142 HydrophobicContact CG2-CG2 4.43Å
137	N	57.6	Low	78	Confident	166 Å²	166	67.7 Å²	67.7	89%	0.888	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-16.3	176.2	-65.7	-8.4	0	0	0	113.9
138	T	59.2	Low	77.4	Confident	107 Å²	107	71.4 Å²	71.4	66%	0.656	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-0	174.8	55	0	0	0	0	114.6	T136 Q140	T136-T138 PolarHBondContact O-N 3.21Å; T136-T138 PolarHBondContact OG1-OG1 2.9Å; T136-T138 VanDerWaalsContact OG1-OG1 3.13Å; T138-Q140 PolarHBondContact O-N 3.17Å
139	G	61	Low	76.8	Confident	39 Å²	39	70.8 Å²	70.8	40%	0.402	38%	0.381	S	S	.	.			trans	74.8	2.4	178.8	0	0	0	0	0	115.4	R135 T136	R135-G139 WeakPolarHBondContact CD-O 3.28Å; R135-G139 PolarHBondContact NH1-O 2.97Å; T136-G139 PolarHBondContact O-N 2.98Å
140	Q	63.4	Low	76.1	Confident	139 Å²	139	76.6 Å²	76.6	65%	0.65	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-79.4	143.6	178.4	-70.1	-176.3	-7.2	0	0	111.5	R135 T138	R135-Q140 WeakPolarHBondContact CA-O 3.29Å; T138-Q140 PolarHBondContact O-N 3.17Å
141	K	71.8	Confident	75.6	Confident	140 Å²	140	78.5 Å²	78.5	61%	0.609	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-75	128.6	173.4	-69.4	179.8	177.1	-178.6	0	108.4	T103 T143	T103-K141 HydrophobicContact CG2-CB 4.13Å; T103-K141 HydrophobicContact CG2-CD 4.19Å; T103-K141 HydrophobicContact CG2-CG 4.49Å; K141-T143 PolarHBondContact O-N 2.81Å
142	V	75.9	Confident	74.9	Confident	30 Å²	30	86.4 Å²	86.4	18%	0.182	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-74.1	118.7	172.8	-178.2	0	0	0	0	108	T133 T136	T133-V142 HydrophobicContact CG2-CB 4.43Å; T133-V142 HydrophobicContact CG2-CG1 4.45Å; T136-V142 HydrophobicContact CG2-CG2 4.43Å
143	T	79.8	Confident	74.1	Confident	101 Å²	101	92.1 Å²	92.1	62%	0.62	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-86.3	121.6	172	-62	0	0	0	0	108.8	K141	K141-T143 PolarHBondContact O-N 2.81Å
144	L	82.1	Confident	73.7	Confident	11 Å²	11	92.2 Å²	92.2	6%	0.058	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-76.6	145.4	-178.6	-65.9	170.6	0	0	0	111.3	A67 A100 N102 M105 T133	A67-L144 HydrophobicContact CB-CD2 3.71Å; A100-L144 HydrophobicContact CB-CB 4.15Å; A100-L144 HydrophobicContact CB-CD1 4.47Å; N102-L144 PolarHBondContact O-N 3.48Å; M105-L144 HydrophobicContact CB-CD1 4.21Å; M105-L144 HydrophobicContact CE-CD1 3.5Å; M105-L144 VanDerWaalsContact CE-CD1 3.5Å; M105-L144 HydrophobicContact CE-CD2 3.56Å; M105-L144 HydrophobicContact CE-CG 4.17Å; T133-L144 HydrophobicContact CG2-CD1 4.44Å; T133-L144 HydrophobicContact CG2-CD2 3.57Å; T133-L144 HydrophobicContact CG2-CG 4.21Å
145	R	82.8	Confident	73.7	Confident	185 Å²	185	94.9 Å²	94.9	70%	0.698	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-69.9	134.7	169.2	-69.2	-177	-75.9	-164.7	-2.5	109	H66 A100	H66-R145 PolarHBondContact CE1-O 3.01Å; H66-R145 PolarHBondContact NE2-O 3.41Å; A100-R145 VanDerWaalsContact CB-O 3.29Å; A100-R145 WeakPolarHBondContact CB-O 3.38Å
146	P	81.5	Confident	73.9	Confident	103 Å²	103	91.1 Å²	91.1	67%	0.669	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-67.5	136.6	175.8	27	-32	0	0	0	110.1	A148	P146-A148 PolarHBondContact O-N 3.48Å
147	V	81	Confident	74.6	Confident	26 Å²	26	90 Å²	90	16%	0.158	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-72.7	125.3	172.4	179.7	0	0	0	0	108.2	H66 V97 A100 P149	H66-V147 WeakPolarHBondContact NE2-CG2 3.42Å; V97-V147 HydrophobicContact CG1-CG2 3.86Å; A100-V147 HydrophobicContact CB-CG2 4.07Å; V147-P149 WeakPolarHBondContact O-CD 3.37Å
148	A	77.1	Confident	75.7	Confident	78 Å²	78	85.1 Å²	85.1	65%	0.645	44%	0.441	S	S	*	.			trans	-91.8	108	172.9	0	0	0	0	0	108.8	P146	P146-A148 PolarHBondContact O-N 3.48Å
149	P	78.9	Confident	76.4	Confident	29 Å²	29	83.5 Å²	83.5	19%	0.188	43%	0.434	C	S	.	.			trans	-65.5	137.9	173.5	28.1	-34.4	0	0	0	110	V147 E154 H155	V147-P149 WeakPolarHBondContact O-CD 3.37Å; P149-E154 WeakPolarHBondContact CA-OE2 3.47Å; P149-E154 HydrophobicContact CB-CB 3.51Å; P149-H155 WeakPolarHBondContact CG-ND1 3.33Å
150	Q	78	Confident	77.3	Confident	123 Å²	123	84.6 Å²	84.6	58%	0.575	43%	0.433	S	S	*	.			trans	-105.5	-36.9	178.1	-60.4	-173.9	23.5	0	0	111.9	C23 E154	C23-Q150 PolarHBondContact SG-OE1 3.39Å; Q150-E154 PolarHBondContact N-OE2 2.95Å
151	T	80.8	Confident	78	Confident	51 Å²	51	78 Å²	78	31%	0.313	40%	0.402	S	S	.	.	S	Bend	trans	-97.3	156.7	-177.2	69.5	0	0	0	0	112.2	R153 E154 H155	T151-R153 PolarHBondContact O-N 2.86Å; T151-E154 PolarHBondContact N-OE2 2.72Å; T151-E154 WeakPolarHBondContact O-CB 3.47Å; T151-E154 PolarHBondContact O-N 2.83Å; T151-E154 VanDerWaalsContact O-N 3.08Å; T151-E154 WeakPolarHBondContact OG1-CB 3.3Å; T151-E154 WeakPolarHBondContact OG1-CG 3.42Å; T151-E154 PolarHBondContact OG1-N 2.74Å; T151-H155 PolarHBondContact O-CD2 2.89Å; T151-H155 PolarHBondContact O-N 3.3Å
152	Q	75.8	Confident	78.2	Confident	166 Å²	166	72.9 Å²	72.9	78%	0.776	39%	0.386	S	S	*	.	H	α-helix	trans	-58.1	-38.8	175.8	-174.3	174.5	-6.5	0	0	111.6	E154 H155 V156	Q152-E154 PolarHBondContact O-N 3.34Å; Q152-H155 WeakPolarHBondContact O-CB 3.19Å; Q152-H155 PolarHBondContact O-N 2.82Å; Q152-V156 WeakPolarHBondContact O-CG2 3.31Å; Q152-V156 PolarHBondContact O-N 3.12Å; Q152-V156 VanDerWaalsContact O-N 3.08Å
153	R	72.9	Confident	78.1	Confident	160 Å²	160	75.6 Å²	75.6	60%	0.604	40%	0.397	S	S	*	.	H	α-helix	trans	-60.8	-43	174.6	-175.9	172.6	173.7	165.3	-2.2	111.9	T151 V156 E157	T151-R153 PolarHBondContact O-N 2.86Å; R153-V156 PolarHBondContact O-N 2.91Å; R153-E157 IonicContact NE-OE1 2.69Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.06Å
154	E	77.3	Confident	78	Confident	15 Å²	15	72.4 Å²	72.4	7%	0.07	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-37.2	176	-75.4	172.1	-177.3	0	0	113	N25 K96 P149 Q150 T151 Q152 V156 E157 Y158	N25-E154 PolarHBondContact ND2-OE1 2.97Å; N25-E154 PolarHBondContact OD1-OE1 3.23Å; K96-E154 VanDerWaalsContact NZ-CD 3.34Å; K96-E154 IonicContact NZ-OE1 3.45Å; K96-E154 PolarHBondContact NZ-OE1 3.24Å; P149-E154 WeakPolarHBondContact CA-OE2 3.47Å; P149-E154 HydrophobicContact CB-CB 3.51Å; Q150-E154 PolarHBondContact N-OE2 2.95Å; T151-E154 PolarHBondContact N-OE2 2.72Å; T151-E154 WeakPolarHBondContact O-CB 3.47Å; T151-E154 PolarHBondContact O-N 2.83Å; T151-E154 VanDerWaalsContact O-N 3.08Å; T151-E154 WeakPolarHBondContact OG1-CB 3.3Å; T151-E154 WeakPolarHBondContact OG1-CG 3.42Å; T151-E154 PolarHBondContact OG1-N 2.74Å; Q152-E154 PolarHBondContact O-N 3.34Å; E154-V156 VanDerWaalsContact C-N 3.3Å; E154-V156 PolarHBondContact O-N 2.69Å; E154-E157 PolarHBondContact O-N 3.43Å; E154-Y158 WeakPolarHBondContact O-CB 3.46Å; E154-Y158 PolarHBondContact O-N 3.4Å
155	H	76.5	Confident	77.7	Confident	99 Å²	99	76.5 Å²	76.5	46%	0.458	39%	0.388	S	S	.	.	H	α-helix	trans	-61.6	-40.5	173.9	-80.5	-73.5	0	0	0	111.9	P149 T151 Q152 S159	P149-H155 WeakPolarHBondContact CG-ND1 3.33Å; T151-H155 PolarHBondContact O-CD2 2.89Å; T151-H155 PolarHBondContact O-N 3.3Å; Q152-H155 WeakPolarHBondContact O-CB 3.19Å; Q152-H155 PolarHBondContact O-N 2.82Å; H155-S159 WeakPolarHBondContact O-CB 3.26Å; H155-S159 PolarHBondContact O-N 2.94Å; H155-S159 VanDerWaalsContact O-N 3.13Å; H155-S159 PolarHBondContact O-OG 2.99Å
156	V	75.3	Confident	77.4	Confident	83 Å²	83	72.3 Å²	72.3	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-65.2	-50.9	173.5	175.5	0	0	0	0	110.1	Q152 R153 E154 Y158 S159 V160	Q152-V156 WeakPolarHBondContact O-CG2 3.31Å; Q152-V156 PolarHBondContact O-N 3.12Å; Q152-V156 VanDerWaalsContact O-N 3.08Å; R153-V156 PolarHBondContact O-N 2.91Å; E154-V156 VanDerWaalsContact C-N 3.3Å; E154-V156 PolarHBondContact O-N 2.69Å; V156-Y158 VanDerWaalsContact C-N 3.29Å; V156-Y158 PolarHBondContact O-N 3.15Å; V156-S159 PolarHBondContact O-N 2.98Å; V156-S159 VanDerWaalsContact O-N 3.07Å; V156-V160 HydrophobicContact CG1-CG2 4.06Å; V156-V160 VanDerWaalsContact O-CG2 3.28Å; V156-V160 WeakPolarHBondContact O-CG2 3.46Å; V156-V160 PolarHBondContact O-N 2.96Å
157	E	77.8	Confident	76.9	Confident	39 Å²	39	69.9 Å²	69.9	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-57.2	-41.1	179.3	-74.6	173.8	175	0	0	112.5	R153 E154 V160 A161 R164	R153-E157 IonicContact NE-OE1 2.69Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.06Å; E154-E157 PolarHBondContact O-N 3.43Å; E157-V160 PolarHBondContact O-N 3.33Å; E157-A161 WeakPolarHBondContact O-CB 3.07Å; E157-A161 PolarHBondContact O-N 3.23Å; E157-R164 PolarHBondContact O-NH2 3.24Å
158	Y	80	Confident	76.7	Confident	63 Å²	63	70 Å²	70	25%	0.247	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-41.1	176	-177	-84.9	0	0	0	112.4	R99 E154 V156	R99-Y158 HydrophobicContact CB-CD2 4.11Å; R99-Y158 HydrophobicContact CB-CE2 4.32Å; R99-Y158 WeakPolarHBondContact CD-O 3.46Å; R99-Y158 HydrophobicContact CG-CD2 3.88Å; R99-Y158 HydrophobicContact CG-CE2 3.63Å; R99-Y158 PolarHBondContact NE-OH 2.89Å; R99-Y158 PolarHBondContact NH1-O 2.69Å; E154-Y158 WeakPolarHBondContact O-CB 3.46Å; E154-Y158 PolarHBondContact O-N 3.4Å; V156-Y158 VanDerWaalsContact C-N 3.29Å; V156-Y158 PolarHBondContact O-N 3.15Å
159	S	75.4	Confident	76.6	Confident	73 Å²	73	72.5 Å²	72.5	51%	0.51	35%	0.353	S	S	.	.	H	α-helix	trans	-70.1	-46.6	178.6	-59	0	0	0	0	110.9	H155 V156 A161 A162	H155-S159 WeakPolarHBondContact O-CB 3.26Å; H155-S159 PolarHBondContact O-N 2.94Å; H155-S159 VanDerWaalsContact O-N 3.13Å; H155-S159 PolarHBondContact O-OG 2.99Å; V156-S159 PolarHBondContact O-N 2.98Å; V156-S159 VanDerWaalsContact O-N 3.07Å; S159-A161 VanDerWaalsContact C-N 3.27Å; S159-A161 PolarHBondContact O-N 2.87Å; S159-A162 PolarHBondContact O-N 2.83Å; S159-A162 VanDerWaalsContact O-N 3.16Å
160	V	78.4	Confident	76.4	Confident	62 Å²	62	73.2 Å²	73.2	38%	0.376	36%	0.355	S	S	.	.	H	α-helix	trans	-64.4	-32	178	-177.2	0	0	0	0	111.4	V156 E157 A162 E163 R164	V156-V160 HydrophobicContact CG1-CG2 4.06Å; V156-V160 VanDerWaalsContact O-CG2 3.28Å; V156-V160 WeakPolarHBondContact O-CG2 3.46Å; V156-V160 PolarHBondContact O-N 2.96Å; E157-V160 PolarHBondContact O-N 3.33Å; V160-A162 VanDerWaalsContact C-N 3.25Å; V160-A162 PolarHBondContact O-N 3.24Å; V160-E163 PolarHBondContact O-N 3.15Å; V160-E163 VanDerWaalsContact O-N 3.12Å; V160-R164 HydrophobicContact CG1-CG 4.32Å; V160-R164 PolarHBondContact O-N 3.3Å
161	A	79.4	Confident	76	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-32.5	175.5	0	0	0	0	0	113.4	R99 E106 E157 S159 R165	R99-A161 HydrophobicContact CB-CB 3.78Å; E106-A161 WeakPolarHBondContact OE1-CB 3.13Å; E157-A161 WeakPolarHBondContact O-CB 3.07Å; E157-A161 PolarHBondContact O-N 3.23Å; S159-A161 VanDerWaalsContact C-N 3.27Å; S159-A161 PolarHBondContact O-N 2.87Å; A161-R165 WeakPolarHBondContact O-CB 3.28Å; A161-R165 PolarHBondContact O-N 3.16Å
162	A	75.7	Confident	75.4	Confident	33 Å²	33	69.1 Å²	69.1	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-67.2	-45	173.6	0	0	0	0	0	111.8	S159 V160 R165 R166	S159-A162 PolarHBondContact O-N 2.83Å; S159-A162 VanDerWaalsContact O-N 3.16Å; V160-A162 VanDerWaalsContact C-N 3.25Å; V160-A162 PolarHBondContact O-N 3.24Å; A162-R165 WeakPolarHBondContact O-CB 3.49Å; A162-R165 PolarHBondContact O-N 2.83Å; A162-R166 PolarHBondContact O-N 2.83Å
163	E	73.8	Confident	75.2	Confident	87 Å²	87	65.1 Å²	65.1	41%	0.407	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-42	177.7	-71.6	-53.8	127.2	0	0	111.7	V160 R165 R166 V167	V160-E163 PolarHBondContact O-N 3.15Å; V160-E163 VanDerWaalsContact O-N 3.12Å; E163-R165 VanDerWaalsContact C-N 3.31Å; E163-R165 PolarHBondContact O-N 2.82Å; E163-R166 WeakPolarHBondContact O-CB 3.36Å; E163-R166 PolarHBondContact O-N 3.39Å; E163-R166 VanDerWaalsContact O-N 3.1Å; E163-R166 IonicContact OE2-CZ 2.69Å; E163-R166 IonicContact OE2-NE 3.81Å; E163-R166 PolarHBondContact OE2-NE 2.79Å; E163-R166 IonicContact OE2-NH2 3.51Å; E163-V167 WeakPolarHBondContact O-CG2 3.25Å; E163-V167 PolarHBondContact O-N 2.93Å
164	R	77.4	Confident	75.1	Confident	34 Å²	34	60 Å²	60	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-45.6	173.2	-76.3	-170.9	-70.5	-98.9	-3.1	111.3	E106 Y128 E157 V160 R166 V167 R168	E106-R164 IonicContact OE1-CZ 3.07Å; E106-R164 IonicContact OE1-NE 3.65Å; E106-R164 PolarHBondContact OE1-NE 3.06Å; E106-R164 IonicContact OE1-NH2 3.91Å; E106-R164 PolarHBondContact OE1-NH2 2.93Å; E106-R164 IonicContact OE2-CZ 3.9Å; E106-R164 IonicContact OE2-NE 2.66Å; E106-R164 PolarHBondContact OE2-NE 3.39Å; E106-R164 VanDerWaalsContact OE2-NE 3.12Å; E106-R164 IonicContact OE2-NH2 3.85Å; Y128-R164 VanDerWaalsContact CZ-NH1 3.32Å; Y128-R164 PolarHBondContact OH-NH1 3.04Å; E157-R164 PolarHBondContact O-NH2 3.24Å; V160-R164 HydrophobicContact CG1-CG 4.32Å; V160-R164 PolarHBondContact O-N 3.3Å; R164-R166 VanDerWaalsContact C-N 3.31Å; R164-R166 PolarHBondContact O-N 2.79Å; R164-V167 WeakPolarHBondContact O-CB 3.25Å; R164-V167 PolarHBondContact O-N 2.96Å; R164-V167 VanDerWaalsContact O-N 3.15Å; R164-R168 WeakPolarHBondContact O-CG 3.36Å; R164-R168 PolarHBondContact O-N 3.17Å
165	R	76.7	Confident	74.6	Confident	98 Å²	98	60.3 Å²	60.3	37%	0.37	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-42	175.2	-179.3	175.8	179.5	179.9	0.5	112.1	F101 A161 A162 E163 V167 R168 M169	F101-R165 VanDerWaalsContact CB-NH1 3.32Å; F101-R165 HydrophobicContact CZ-CB 4.05Å; F101-R165 HydrophobicContact CZ-CG 4.38Å; A161-R165 WeakPolarHBondContact O-CB 3.28Å; A161-R165 PolarHBondContact O-N 3.16Å; A162-R165 WeakPolarHBondContact O-CB 3.49Å; A162-R165 PolarHBondContact O-N 2.83Å; E163-R165 VanDerWaalsContact C-N 3.31Å; E163-R165 PolarHBondContact O-N 2.82Å; R165-V167 VanDerWaalsContact C-N 3.3Å; R165-V167 PolarHBondContact O-N 3.09Å; R165-R168 WeakPolarHBondContact O-CB 3.46Å; R165-R168 PolarHBondContact O-N 3.12Å; R165-M169 WeakPolarHBondContact O-CG 3.29Å; R165-M169 PolarHBondContact O-N 3.19Å; R165-M169 VanDerWaalsContact O-N 3.16Å
166	R	75.9	Confident	74.5	Confident	97 Å²	97	62 Å²	62	37%	0.366	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-44.1	176	-166.4	-179.8	74.7	88.9	-5.4	110.9	A162 E163 R164 R168 M169 L170 A466	A162-R166 PolarHBondContact O-N 2.83Å; E163-R166 WeakPolarHBondContact O-CB 3.36Å; E163-R166 PolarHBondContact O-N 3.39Å; E163-R166 VanDerWaalsContact O-N 3.1Å; E163-R166 IonicContact OE2-CZ 2.69Å; E163-R166 IonicContact OE2-NE 3.81Å; E163-R166 PolarHBondContact OE2-NE 2.79Å; E163-R166 IonicContact OE2-NH2 3.51Å; R164-R166 VanDerWaalsContact C-N 3.31Å; R164-R166 PolarHBondContact O-N 2.79Å; R166-R168 PolarHBondContact O-N 3.12Å; R166-M169 PolarHBondContact O-N 3.06Å; R166-L170 HydrophobicContact CG-CD1 4.04Å; R166-L170 WeakPolarHBondContact O-CG 3.21Å; R166-L170 PolarHBondContact O-N 2.94Å; R166-A466 PolarHBondContact NH1-O 3.19Å
167	V	71.9	Confident	74.2	Confident	52 Å²	52	62.2 Å²	62.2	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-39.8	175.6	174.6	0	0	0	0	112	E163 R164 R165 M169 L170 H171	E163-V167 WeakPolarHBondContact O-CG2 3.25Å; E163-V167 PolarHBondContact O-N 2.93Å; R164-V167 WeakPolarHBondContact O-CB 3.25Å; R164-V167 PolarHBondContact O-N 2.96Å; R164-V167 VanDerWaalsContact O-N 3.15Å; R165-V167 VanDerWaalsContact C-N 3.3Å; R165-V167 PolarHBondContact O-N 3.09Å; V167-M169 VanDerWaalsContact C-N 3.35Å; V167-M169 PolarHBondContact O-N 3.27Å; V167-L170 PolarHBondContact O-N 3.19Å; V167-H171 WeakPolarHBondContact O-CB 3.32Å; V167-H171 PolarHBondContact O-N 3.33Å
168	R	75.9	Confident	73.7	Confident	27 Å²	27	61.7 Å²	61.7	10%	0.102	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-44.6	176.4	-64.5	-178	-157.2	109.9	27	112.5	D77 E106 T130 R164 R165 R166 M254	D77-R168 WeakPolarHBondContact OD1-CD 3.49Å; D77-R168 IonicContact OD1-CZ 3Å; D77-R168 IonicContact OD1-NE 2.68Å; D77-R168 PolarHBondContact OD1-NE 3.05Å; D77-R168 IonicContact OD1-NH2 3.74Å; D77-R168 IonicContact OD2-CZ 2.81Å; D77-R168 IonicContact OD2-NE 2.92Å; D77-R168 PolarHBondContact OD2-NE 3.37Å; D77-R168 IonicContact OD2-NH2 3.6Å; D77-R168 PolarHBondContact OD2-NH2 3.46Å; E106-R168 IonicContact OE2-CZ 3.04Å; E106-R168 IonicContact OE2-NH1 2.7Å; E106-R168 IonicContact OE2-NH2 3.86Å; E106-R168 PolarHBondContact OE2-NH2 3.34Å; T130-R168 PolarHBondContact OG1-NE 2.92Å; T130-R168 PolarHBondContact OG1-NH1 2.64Å; T130-R168 VanDerWaalsContact OG1-NH1 3.08Å; R164-R168 WeakPolarHBondContact O-CG 3.36Å; R164-R168 PolarHBondContact O-N 3.17Å; R165-R168 WeakPolarHBondContact O-CB 3.46Å; R165-R168 PolarHBondContact O-N 3.12Å; R166-R168 PolarHBondContact O-N 3.12Å; R168-M254 HydrophobicContact CB-CE 4.39Å; R168-M254 HydrophobicContact CB-SD 4.12Å; R168-M254 HydrophobicContact CG-SD 3.71Å
169	M	75.7	Confident	73	Confident	132 Å²	132	61.1 Å²	61.1	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-67.6	-40	-178.9	-64.3	-60.5	-63.4	0	0	111.4	R165 R166 V167	R165-M169 WeakPolarHBondContact O-CG 3.29Å; R165-M169 PolarHBondContact O-N 3.19Å; R165-M169 VanDerWaalsContact O-N 3.16Å; R166-M169 PolarHBondContact O-N 3.06Å; V167-M169 VanDerWaalsContact C-N 3.35Å; V167-M169 PolarHBondContact O-N 3.27Å
170	L	73.9	Confident	72.5	Confident	44 Å²	44	62 Å²	62	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-80	-17	-178.8	-66.7	174.2	0	0	0	113.5	R166 V167 S172 D173 I174 A466	R166-L170 HydrophobicContact CG-CD1 4.04Å; R166-L170 WeakPolarHBondContact O-CG 3.21Å; R166-L170 PolarHBondContact O-N 2.94Å; V167-L170 PolarHBondContact O-N 3.19Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.3Å; L170-D173 PolarHBondContact O-N 3.25Å; L170-I174 HydrophobicContact CB-CD1 3.99Å; L170-I174 HydrophobicContact CB-CG1 4.37Å; L170-I174 WeakPolarHBondContact O-CG1 3.39Å; L170-I174 PolarHBondContact O-N 3.39Å; L170-A466 HydrophobicContact CD1-CB 4.05Å; L170-A466 HydrophobicContact CD2-CB 4.49Å
171	H	70	Confident	71.3	Confident	28 Å²	28	62.9 Å²	62.9	13%	0.13	33%	0.325	C	S	.	.	H	α-helix	trans	-56	-42.5	-173.2	179.7	-120.4	0	0	0	113.7	V167 D173 I174 V175 M254 R345	V167-H171 WeakPolarHBondContact O-CB 3.32Å; V167-H171 PolarHBondContact O-N 3.33Å; H171-D173 PolarHBondContact O-N 3.49Å; H171-I174 PolarHBondContact O-N 3.22Å; H171-V175 VanDerWaalsContact O-CG2 3.3Å; H171-V175 WeakPolarHBondContact O-CG2 3.38Å; H171-V175 PolarHBondContact O-N 2.8Å; H171-M254 HydrophobicContact CB-CE 3.29Å; H171-M254 HydrophobicContact CB-SD 4.48Å; H171-M254 VanDerWaalsContact ND1-CE 3.26Å; H171-M254 WeakPolarHBondContact ND1-CE 3.37Å; H171-R345 PolarHBondContact CD2-NH2 3.08Å
172	S	68.3	Low	69.6	Low	60 Å²	60	64 Å²	64	42%	0.42	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-32.8	178.4	58	0	0	0	0	112.5	L170 K176	L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.3Å; S172-K176 VanDerWaalsContact O-CG 3.29Å; S172-K176 WeakPolarHBondContact O-CG 3.21Å; S172-K176 PolarHBondContact O-N 3.15Å
173	D	71.5	Confident	67.6	Low	81 Å²	81	67.9 Å²	67.9	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-81.7	-38.9	-176.6	-60.5	-17.6	0	0	0	110.3	L170 H171 V175 K176 E177	L170-D173 PolarHBondContact O-N 3.25Å; H171-D173 PolarHBondContact O-N 3.49Å; D173-V175 VanDerWaalsContact C-N 3.33Å; D173-V175 PolarHBondContact O-N 3.04Å; D173-K176 PolarHBondContact O-N 2.95Å; D173-E177 WeakPolarHBondContact O-CB 3.43Å; D173-E177 PolarHBondContact O-N 3.11Å
174	I	70.1	Confident	66.2	Low	52 Å²	52	66.8 Å²	66.8	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-46.5	171.6	-66.2	164.8	0	0	0	110.4	L170 H171 K176 E177 L178 I341	L170-I174 HydrophobicContact CB-CD1 3.99Å; L170-I174 HydrophobicContact CB-CG1 4.37Å; L170-I174 WeakPolarHBondContact O-CG1 3.39Å; L170-I174 PolarHBondContact O-N 3.39Å; H171-I174 PolarHBondContact O-N 3.22Å; I174-K176 PolarHBondContact O-N 3.32Å; I174-E177 PolarHBondContact O-N 3.48Å; I174-L178 HydrophobicContact CG2-CD1 4.11Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.47Å; I174-L178 VanDerWaalsContact O-CG 3.28Å; I174-L178 WeakPolarHBondContact O-CG 3.38Å; I174-L178 PolarHBondContact O-N 3.35Å; I174-I341 HydrophobicContact CG2-CD1 4.06Å; I174-I341 HydrophobicContact CG2-CG1 4.14Å
175	V	68.1	Low	64.3	Low	22 Å²	22	72.2 Å²	72.2	13%	0.133	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-45.8	177.8	173.5	0	0	0	0	110.7	H171 D173 L178 L179 I341	H171-V175 VanDerWaalsContact O-CG2 3.3Å; H171-V175 WeakPolarHBondContact O-CG2 3.38Å; H171-V175 PolarHBondContact O-N 2.8Å; D173-V175 VanDerWaalsContact C-N 3.33Å; D173-V175 PolarHBondContact O-N 3.04Å; V175-L178 PolarHBondContact O-N 2.85Å; V175-L179 HydrophobicContact CG1-CD1 4.03Å; V175-L179 WeakPolarHBondContact O-CD1 3.34Å; V175-L179 VanDerWaalsContact O-CG 3.23Å; V175-L179 WeakPolarHBondContact O-CG 3.42Å; V175-L179 PolarHBondContact O-N 3.25Å; V175-L179 VanDerWaalsContact O-N 3.12Å; V175-I341 HydrophobicContact CB-CD1 4.44Å; V175-I341 HydrophobicContact CG2-CD1 3.39Å
176	K	72.4	Confident	62.2	Low	135 Å²	135	76.6 Å²	76.6	59%	0.587	41%	0.413	S	S	*	.	H	α-helix	trans	-63.9	-41.3	177.9	-73.2	170.6	-172.3	167.9	0	112.3	S172 D173 I174 L179 S180	S172-K176 VanDerWaalsContact O-CG 3.29Å; S172-K176 WeakPolarHBondContact O-CG 3.21Å; S172-K176 PolarHBondContact O-N 3.15Å; D173-K176 PolarHBondContact O-N 2.95Å; I174-K176 PolarHBondContact O-N 3.32Å; K176-L179 PolarHBondContact O-N 3.24Å; K176-S180 WeakPolarHBondContact O-CB 3.26Å; K176-S180 PolarHBondContact O-N 2.95Å; K176-S180 PolarHBondContact O-OG 2.89Å
177	E	70.7	Confident	60.3	Low	88 Å²	88	76 Å²	76	41%	0.411	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-46.2	178.8	-173.4	177.4	-173.6	0	0	110.8	D173 I174 L179 S180 S181	D173-E177 WeakPolarHBondContact O-CB 3.43Å; D173-E177 PolarHBondContact O-N 3.11Å; I174-E177 PolarHBondContact O-N 3.48Å; E177-L179 VanDerWaalsContact C-N 3.28Å; E177-L179 PolarHBondContact O-N 2.94Å; E177-S180 WeakPolarHBondContact CA-OG 3.02Å; E177-S180 PolarHBondContact O-N 3.47Å; E177-S180 PolarHBondContact O-OG 3.13Å; E177-S181 WeakPolarHBondContact O-CB 3.4Å; E177-S181 PolarHBondContact O-N 3.09Å; E177-S181 PolarHBondContact O-OG 2.86Å; E177-S181 VanDerWaalsContact O-OG 3.09Å
178	L	66.8	Low	58.4	Low	27 Å²	27	79.2 Å²	79.2	14%	0.141	44%	0.444	C	S	.	.	H	α-helix	trans	-58.2	-40.9	175.7	-73.1	177	0	0	0	112.1	I174 V175 S181 G182 A337 K340 I341	I174-L178 HydrophobicContact CG2-CD1 4.11Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.47Å; I174-L178 VanDerWaalsContact O-CG 3.28Å; I174-L178 WeakPolarHBondContact O-CG 3.38Å; I174-L178 PolarHBondContact O-N 3.35Å; V175-L178 PolarHBondContact O-N 2.85Å; L178-S181 PolarHBondContact O-OG 2.87Å; L178-G182 PolarHBondContact O-N 2.85Å; L178-G182 VanDerWaalsContact O-N 3.09Å; L178-A337 HydrophobicContact CB-CB 4.27Å; L178-A337 HydrophobicContact CD1-CB 4.45Å; L178-K340 HydrophobicContact CD1-CD 4.19Å; L178-K340 HydrophobicContact CD2-CD 3.8Å; L178-I341 HydrophobicContact CD1-CD1 3.86Å; L178-I341 HydrophobicContact CD1-CG1 3.55Å
179	L	66	Low	56.3	Low	51 Å²	51	83.4 Å²	83.4	27%	0.267	48%	0.478	S	S	.	.	H	α-helix	trans	-67.8	-35.5	175.1	-65.5	164.9	0	0	0	112.5	V175 K176 E177 Q333 E334 A337	V175-L179 HydrophobicContact CG1-CD1 4.03Å; V175-L179 WeakPolarHBondContact O-CD1 3.34Å; V175-L179 VanDerWaalsContact O-CG 3.23Å; V175-L179 WeakPolarHBondContact O-CG 3.42Å; V175-L179 PolarHBondContact O-N 3.25Å; V175-L179 VanDerWaalsContact O-N 3.12Å; K176-L179 PolarHBondContact O-N 3.24Å; E177-L179 VanDerWaalsContact C-N 3.28Å; E177-L179 PolarHBondContact O-N 2.94Å; L179-Q333 HydrophobicContact CD2-CB 4.33Å; L179-E334 HydrophobicContact CD1-CG 3.77Å; L179-E334 HydrophobicContact CD2-CG 3.84Å; L179-E334 HydrophobicContact CG-CG 4.42Å; L179-A337 HydrophobicContact CD2-CB 4.48Å
180	S	63.4	Low	54.2	Low	93 Å²	93	81.8 Å²	81.8	65%	0.65	48%	0.479	S	S	*	.	H	α-helix	trans	-77.2	-31.5	179.3	68.7	0	0	0	0	113.9	K176 E177	K176-S180 WeakPolarHBondContact O-CB 3.26Å; K176-S180 PolarHBondContact O-N 2.95Å; K176-S180 PolarHBondContact O-OG 2.89Å; E177-S180 WeakPolarHBondContact CA-OG 3.02Å; E177-S180 PolarHBondContact O-N 3.47Å; E177-S180 PolarHBondContact O-OG 3.13Å
181	S	53.5	Low	52.4	Low	79 Å²	79	83 Å²	83	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-80.6	-25.8	178	64.8	0	0	0	0	112.5	E177 L178 S183	E177-S181 WeakPolarHBondContact O-CB 3.4Å; E177-S181 PolarHBondContact O-N 3.09Å; E177-S181 PolarHBondContact O-OG 2.86Å; E177-S181 VanDerWaalsContact O-OG 3.09Å; L178-S181 PolarHBondContact O-OG 2.87Å; S181-S183 VanDerWaalsContact C-N 3.26Å; S181-S183 PolarHBondContact O-N 3.44Å
182	G	43.4	Very low	51	Low	25 Å²	25	84.5 Å²	84.5	26%	0.258	51%	0.506	S	S	.	.			trans	-78.6	71.3	169	0	0	0	0	0	111.2	L178 V184	L178-G182 PolarHBondContact O-N 2.85Å; L178-G182 VanDerWaalsContact O-N 3.09Å; G182-V184 PolarHBondContact O-N 2.94Å
183	S	34.5	Very low	49.7	Very low	113 Å²	113	87.3 Å²	87.3	79%	0.79	53%	0.525	S	S	*	.			trans	-68.2	75.7	149.5	53.9	0	0	0	0	107.1	S181 E185	S181-S183 VanDerWaalsContact C-N 3.26Å; S181-S183 PolarHBondContact O-N 3.44Å; S183-E185 PolarHBondContact O-N 2.88Å
184	V	43.2	Very low	48.6	Very low	65 Å²	65	89 Å²	89	39%	0.394	54%	0.543	S	S	.	.			trans	-79	115.8	-178.3	179.3	0	0	0	0	107.3	G182 Q186 L560	G182-V184 PolarHBondContact O-N 2.94Å; V184-Q186 PolarHBondContact O-N 2.96Å; V184-L560 VanDerWaalsContact CG2-O 3.3Å; V184-L560 WeakPolarHBondContact CG2-O 3.48Å
185	E	38.3	Very low	48.1	Very low	147 Å²	147	87.7 Å²	87.7	69%	0.687	54%	0.542	S	S	*	.			trans	-44.9	122.9	161.8	-67.8	-175.7	155	0	0	108.1	S183 A187	S183-E185 PolarHBondContact O-N 2.88Å; E185-A187 PolarHBondContact O-N 2.85Å
186	Q	33.2	Very low	48.2	Very low	191 Å²	191	88.1 Å²	88.1	89%	0.893	55%	0.545	S	S	*	.			trans	-45.7	103.9	173.7	-79.6	164	-37.5	0	0	108.5	V184 D188	V184-Q186 PolarHBondContact O-N 2.96Å; Q186-D188 PolarHBondContact O-N 2.88Å
187	A	34.5	Very low	48.4	Very low	83 Å²	83	83.4 Å²	83.4	69%	0.686	53%	0.532	S	S	*	.			trans	-58	109.9	170.6	0	0	0	0	0	106.6	E185 S189	E185-A187 PolarHBondContact O-N 2.85Å; A187-S189 PolarHBondContact O-N 3.35Å
188	D	33.8	Very low	48.8	Very low	121 Å²	121	79.5 Å²	79.5	65%	0.647	51%	0.514	S	S	*	.			trans	0.2	102.2	177	-76.6	-45	0	0	0	115.5	Q186 S190 A191	Q186-D188 PolarHBondContact O-N 2.88Å; D188-S190 PolarHBondContact O-N 3.16Å; D188-A191 PolarHBondContact O-N 3.27Å
189	S	31.1	Very low	49.4	Very low	115 Å²	115	84.2 Å²	84.2	80%	0.804	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-6.7	169.8	64.7	0	0	0	0	113.6	A187	A187-S189 PolarHBondContact O-N 3.35Å
190	S	32.5	Very low	50	Low	98 Å²	98	88 Å²	88	69%	0.685	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-19.5	-176.7	58.9	0	0	0	0	114.2	D188	D188-S190 PolarHBondContact O-N 3.16Å
191	A	34.3	Very low	51	Low	70 Å²	70	83.9 Å²	83.9	58%	0.579	52%	0.521	S	S	*	.	S	Bend	trans	-95.8	0.9	179.9	0	0	0	0	0	114.5	D188 C193	D188-A191 PolarHBondContact O-N 3.27Å; A191-C193 VanDerWaalsContact C-N 3.31Å; A191-C193 PolarHBondContact O-N 3.3Å
192	V	42.3	Very low	52.6	Low	58 Å²	58	86.7 Å²	86.7	35%	0.352	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-86.2	6.3	-168.7	-172.9	0	0	0	0	113.4	S194 R322	V192-S194 PolarHBondContact O-N 2.79Å; V192-R322 HydrophobicContact CG1-CB 4.47Å; V192-R322 HydrophobicContact CG1-CG 3.81Å
193	C	39.3	Very low	54.8	Low	119 Å²	119	86.9 Å²	86.9	80%	0.804	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-79.3	-12	-168.8	-152.1	0	0	0	0	115.4	A191	A191-C193 VanDerWaalsContact C-N 3.31Å; A191-C193 PolarHBondContact O-N 3.3Å
194	S	48.7	Very low	57.6	Low	117 Å²	117	85.7 Å²	85.7	82%	0.818	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-116	13.5	-176.8	74.4	0	0	0	0	115.2	V192	V192-S194 PolarHBondContact O-N 2.79Å
195	G	60.1	Low	60	Low	24 Å²	24	84.3 Å²	84.3	25%	0.247	49%	0.49	C	S	.	.	S	Bend	trans	-88.4	151.1	179.2	0	0	0	0	0	113.2	R320	G195-R320 CarbonylContact C-O 3.56Å; G195-R320 WeakPolarHBondContact CA-O 3.44Å
196	T	69.6	Low	62.5	Low	31 Å²	31	80.8 Å²	80.8	19%	0.19	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.6	177.3	-62.7	0	0	0	0	111	A198 K200 L242 R320 I321 R322	T196-A198 PolarHBondContact O-N 2.85Å; T196-K200 HydrophobicContact CG2-CD 4.3Å; T196-L242 HydrophobicContact CG2-CD1 3.85Å; T196-L242 HydrophobicContact CG2-CD2 3.46Å; T196-L242 VanDerWaalsContact CG2-CD2 3.46Å; T196-L242 HydrophobicContact CG2-CG 3.89Å; T196-L242 WeakPolarHBondContact OG1-CD2 3.34Å; T196-R320 PolarHBondContact N-O 2.86Å; T196-R320 VanDerWaalsContact N-O 3.07Å; T196-I321 WeakPolarHBondContact O-CA 3.36Å; T196-R322 PolarHBondContact O-N 2.81Å
197	A	77.7	Confident	65.3	Low	37 Å²	37	74.7 Å²	74.7	31%	0.306	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	128.8	178.5	0	0	0	0	0	111.9	E199 K200	A197-E199 PolarHBondContact O-N 3.47Å; A197-K200 PolarHBondContact O-N 2.83Å
198	A	78.3	Confident	68.1	Low	5 Å²	5	74.9 Å²	74.9	4%	0.041	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-56.6	-33.4	177.8	0	0	0	0	0	112.9	T196 K200 T201 I272 I321 R322	T196-A198 PolarHBondContact O-N 2.85Å; A198-K200 PolarHBondContact O-N 3Å; A198-K200 VanDerWaalsContact O-N 3.08Å; A198-T201 WeakPolarHBondContact O-CB 3.47Å; A198-T201 PolarHBondContact O-N 2.51Å; A198-T201 PolarHBondContact O-OG1 3.26Å; A198-I272 HydrophobicContact CB-CD1 4.29Å; A198-I321 HydrophobicContact CB-CG2 3.71Å; A198-R322 PolarHBondContact N-O 3.26Å; A198-R322 VanDerWaalsContact N-O 3.16Å
199	E	79.3	Confident	70.8	Confident	127 Å²	127	69.1 Å²	69.1	59%	0.593	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-51.1	-35.5	177.8	-70.7	179.4	-178.2	0	0	113.3	A197 T201 R202 E324	A197-E199 PolarHBondContact O-N 3.47Å; E199-T201 PolarHBondContact O-N 3.48Å; E199-T201 VanDerWaalsContact O-N 3.15Å; E199-R202 WeakPolarHBondContact O-CB 3.39Å; E199-R202 PolarHBondContact O-N 3.21Å; E199-E324 HydrophobicContact CG-CG 3.58Å; E199-E324 WeakPolarHBondContact CG-OE1 3.4Å
200	K	78.9	Confident	73.6	Confident	129 Å²	129	67.3 Å²	67.3	56%	0.561	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-67.5	-13.7	-179.4	-67.1	-177.8	-180	178.1	0	113.3	T196 A197 A198	T196-K200 HydrophobicContact CG2-CD 4.3Å; A197-K200 PolarHBondContact O-N 2.83Å; A198-K200 PolarHBondContact O-N 3Å; A198-K200 VanDerWaalsContact O-N 3.08Å
201	T	83.7	Confident	76.2	Confident	8 Å²	8	67.1 Å²	67.1	5%	0.049	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-101.3	-1.1	179.9	70.8	0	0	0	0	113	A198 E199 V203 A236 L242 V273	A198-T201 WeakPolarHBondContact O-CB 3.47Å; A198-T201 PolarHBondContact O-N 2.51Å; A198-T201 PolarHBondContact O-OG1 3.26Å; E199-T201 PolarHBondContact O-N 3.48Å; E199-T201 VanDerWaalsContact O-N 3.15Å; T201-V203 PolarHBondContact O-N 3.43Å; T201-A236 WeakPolarHBondContact O-CB 3.05Å; T201-L242 HydrophobicContact CG2-CD1 4.33Å; T201-V273 HydrophobicContact CG2-CB 4.45Å; T201-V273 HydrophobicContact CG2-CG2 3.94Å; T201-V273 WeakPolarHBondContact OG1-CG2 3.34Å; T201-V273 PolarHBondContact OG1-N 3.33Å
202	R	87.4	Confident	78.7	Confident	137 Å²	137	68.4 Å²	68.4	52%	0.517	39%	0.388	S	S	.	.			trans	-67.1	128.6	-179	-176.6	175.7	175.3	173.5	-3.3	110.5	E199 E204 A271	E199-R202 WeakPolarHBondContact O-CB 3.39Å; E199-R202 PolarHBondContact O-N 3.21Å; R202-E204 IonicContact CZ-OE1 3.04Å; R202-E204 VanDerWaalsContact CZ-OE1 3.28Å; R202-E204 IonicContact NE-OE1 3.99Å; R202-E204 PolarHBondContact NE-OE1 3.04Å; R202-E204 VanDerWaalsContact NE-OE1 3.07Å; R202-E204 IonicContact NH2-OE1 3.02Å; R202-E204 PolarHBondContact NH2-OE1 3.23Å; R202-A271 WeakPolarHBondContact CA-O 3.43Å
203	V	90.6	Very high	80.8	Confident	30 Å²	30	67.3 Å²	67.3	18%	0.182	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.8	175.7	-177	0	0	0	0	108.6	T201 V232 I235 A236 A271	T201-V203 PolarHBondContact O-N 3.43Å; V203-V232 HydrophobicContact CB-CG1 4.08Å; V203-V232 HydrophobicContact CG1-CG1 3.76Å; V203-I235 HydrophobicContact CG1-CB 4.3Å; V203-I235 HydrophobicContact CG1-CG2 4Å; V203-I235 HydrophobicContact CG2-CB 4.37Å; V203-I235 HydrophobicContact CG2-CG2 3.86Å; V203-A236 HydrophobicContact CB-CB 4.2Å; V203-A236 HydrophobicContact CG2-CB 3.75Å; V203-A271 PolarHBondContact N-O 3.37Å; V203-A271 PolarHBondContact O-N 2.78Å
204	E	92.4	Very high	82.9	Confident	87 Å²	87	62.1 Å²	62.1	41%	0.407	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.2	171.9	-53.2	-161.7	153.9	0	0	108.8	R202 L269 R270	R202-E204 IonicContact CZ-OE1 3.04Å; R202-E204 VanDerWaalsContact CZ-OE1 3.28Å; R202-E204 IonicContact NE-OE1 3.99Å; R202-E204 PolarHBondContact NE-OE1 3.04Å; R202-E204 VanDerWaalsContact NE-OE1 3.07Å; R202-E204 IonicContact NH2-OE1 3.02Å; R202-E204 PolarHBondContact NH2-OE1 3.23Å; E204-L269 CarbonylContact C-O 3.57Å; E204-L269 VanDerWaalsContact CA-O 3.31Å; E204-L269 WeakPolarHBondContact CA-O 3.34Å; E204-R270 HydrophobicContact CG-CG 4.06Å; E204-R270 WeakPolarHBondContact OE1-CD 3.16Å; E204-R270 IonicContact OE1-CZ 2.74Å; E204-R270 IonicContact OE1-NE 3.55Å; E204-R270 PolarHBondContact OE1-NE 2.81Å; E204-R270 IonicContact OE2-NE 2.78Å
205	S	93.4	Very high	84.2	Confident	36 Å²	36	57.2 Å²	57.2	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.1	170.6	-165.7	0	0	0	0	109.5	E207 L269	S205-E207 PolarHBondContact OG-OE1 2.93Å; S205-L269 PolarHBondContact N-O 3.14Å; S205-L269 PolarHBondContact O-N 3.09Å
206	V	92.4	Very high	84.8	Confident	73 Å²	73	63.2 Å²	63.2	44%	0.442	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.4	174.5	-179.8	0	0	0	0	108.1	R266 L267 L268	V206-R266 HydrophobicContact CG1-CB 4.27Å; V206-L267 WeakPolarHBondContact CA-O 3.49Å; V206-L268 HydrophobicContact CG2-CD1 3.68Å
207	E	92.1	Very high	84.5	Confident	64 Å²	64	65.6 Å²	65.6	30%	0.299	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.1	179.1	-62.1	-64.7	164.2	0	0	109.8	S205 W228 L267 L269	S205-E207 PolarHBondContact OG-OE1 2.93Å; E207-W228 HydrophobicContact CB-CD2 4.06Å; E207-W228 HydrophobicContact CB-CE3 4.22Å; E207-W228 HydrophobicContact CB-CH2 4.45Å; E207-W228 HydrophobicContact CB-CZ2 4.28Å; E207-W228 HydrophobicContact CB-CZ3 4.45Å; E207-W228 HydrophobicContact CG-CB 4.39Å; E207-W228 HydrophobicContact CG-CD2 4Å; E207-W228 HydrophobicContact CG-CG 3.96Å; E207-L267 PolarHBondContact N-O 2.6Å; E207-L267 PolarHBondContact O-N 3.48Å; E207-L269 HydrophobicContact CG-CD1 4.16Å
208	L	92.2	Very high	84.4	Confident	86 Å²	86	67.3 Å²	67.3	45%	0.45	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.5	173.5	-178.9	64	0	0	0	109.6	L210 H213 R266	L208-L210 HydrophobicContact CD2-CD2 3.83Å; L208-L210 HydrophobicContact CG-CD2 4.06Å; L208-L210 PolarHBondContact O-N 3.46Å; L208-H213 PolarHBondContact O-ND1 3.47Å; L208-R266 HydrophobicContact CD1-CG 4.05Å
209	V	90.6	Very high	84.7	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.006	35%	0.348	C	S	.	.			trans	-75.4	111.8	174	-175.9	0	0	0	0	109.1	H213 T220 W228 V263 G264 D265 L267	V209-H213 HydrophobicContact CG1-CB 4.18Å; V209-T220 HydrophobicContact CG1-CG2 4.07Å; V209-T220 WeakPolarHBondContact CG1-OG1 3.45Å; V209-T220 HydrophobicContact CG2-CG2 4.4Å; V209-W228 HydrophobicContact CG2-CZ3 4.48Å; V209-V263 HydrophobicContact CG1-CG2 4.46Å; V209-V263 WeakPolarHBondContact O-CG1 3.36Å; V209-G264 PolarHBondContact O-N 2.93Å; V209-D265 WeakPolarHBondContact CB-O 3.41Å; V209-D265 HydrophobicContact CG2-CB 4.19Å; V209-D265 WeakPolarHBondContact CG2-O 3.3Å; V209-D265 PolarHBondContact N-O 3.24Å; V209-L267 HydrophobicContact CG2-CD1 3.58Å; V209-L267 HydrophobicContact CG2-CG 3.98Å
210	L	90.1	Very high	85	Confident	76 Å²	76	62.4 Å²	62.4	40%	0.398	32%	0.324	S	S	.	.			trans	-99.9	163	177.9	-61	177.1	0	0	0	110.7	L208 P212 H213	L208-L210 HydrophobicContact CD2-CD2 3.83Å; L208-L210 HydrophobicContact CG-CD2 4.06Å; L208-L210 PolarHBondContact O-N 3.46Å; L210-P212 VanDerWaalsContact C-CD 3.43Å; L210-P212 HydrophobicContact CB-CG 4.13Å; L210-H213 PolarHBondContact N-ND1 3.5Å; L210-H213 WeakPolarHBondContact O-CA 3.4Å; L210-H213 VanDerWaalsContact O-CB 3.28Å; L210-H213 WeakPolarHBondContact O-CB 3.45Å; L210-H213 PolarHBondContact O-N 3.15Å
211	P	87.6	Confident	85.2	Confident	95 Å²	95	59.3 Å²	59.3	62%	0.617	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-48.2	-42.1	175.5	-28.6	35.8	0	0	0	116.3	H213 A214 V263	P211-H213 PolarHBondContact O-N 3.48Å; P211-A214 PolarHBondContact O-N 2.66Å; P211-V263 HydrophobicContact CG-CG1 4.17Å
212	P	86.8	Confident	85.3	Confident	96 Å²	96	59.3 Å²	59.3	62%	0.623	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.9	-12.4	176.9	27.3	-37.5	0	0	0	114.4	L210	L210-P212 VanDerWaalsContact C-CD 3.43Å; L210-P212 HydrophobicContact CB-CG 4.13Å
213	H	86.6	Confident	85.3	Confident	35 Å²	35	52.8 Å²	52.8	16%	0.162	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-90	-7.3	179.4	-53.9	158	0	0	0	112.2	L208 V209 L210 P211 T220 F221 Q224 W228	L208-H213 PolarHBondContact O-ND1 3.47Å; V209-H213 HydrophobicContact CG1-CB 4.18Å; L210-H213 PolarHBondContact N-ND1 3.5Å; L210-H213 WeakPolarHBondContact O-CA 3.4Å; L210-H213 VanDerWaalsContact O-CB 3.28Å; L210-H213 WeakPolarHBondContact O-CB 3.45Å; L210-H213 PolarHBondContact O-N 3.15Å; P211-H213 PolarHBondContact O-N 3.48Å; H213-T220 WeakPolarHBondContact O-CA 3.3Å; H213-T220 WeakPolarHBondContact O-CG2 3.29Å; H213-F221 PolarHBondContact O-N 2.77Å; H213-Q224 HydrophobicContact CB-CG 3.97Å; H213-W228 HydrophobicContact CB-CH2 4Å; H213-W228 HydrophobicContact CB-CZ2 4.5Å; H213-W228 AromaticContact CE1-CZ2 3.58Å; H213-W228 AromaticContact CG-CH2 3.75Å; H213-W228 AromaticContact CG-CZ2 3.81Å; H213-W228 AromaticContact ND1-CH2 3.39Å; H213-W228 WeakPolarHBondContact ND1-CH2 3.25Å; H213-W228 AromaticContact ND1-CZ2 3.34Å; H213-W228 VanDerWaalsContact ND1-CZ2 3.34Å; H213-W228 WeakPolarHBondContact ND1-CZ2 3.33Å
214	A	83.1	Confident	85.3	Confident	10 Å²	10	52.2 Å²	52.2	8%	0.083	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-119	157.6	-177.6	0	0	0	0	0	111.8	P211 N219 F221 V263	P211-A214 PolarHBondContact O-N 2.66Å; A214-N219 CarbonylContact C-O 3.5Å; A214-N219 WeakPolarHBondContact CA-O 3.28Å; A214-N219 VanDerWaalsContact CB-O 3.29Å; A214-N219 WeakPolarHBondContact CB-O 3.44Å; A214-F221 VanDerWaalsContact O-CE2 3.26Å; A214-F221 WeakPolarHBondContact O-CE2 3.35Å; A214-V263 HydrophobicContact CB-CG2 3.29Å
215	N	76.1	Confident	85.3	Confident	14 Å²	14	48.2 Å²	48.2	8%	0.075	26%	0.264	C	S	.	.			trans	-69.5	172.1	167.9	67.9	12.3	0	0	0	110.6	Q217 V218 N219 F221	N215-Q217 PolarHBondContact O-N 2.72Å; N215-Q217 VanDerWaalsContact OD1-C 3.27Å; N215-Q217 WeakPolarHBondContact OD1-CA 3.29Å; N215-Q217 PolarHBondContact OD1-N 3.02Å; N215-Q217 VanDerWaalsContact OD1-N 3.13Å; N215-V218 PolarHBondContact O-N 3.03Å; N215-V218 PolarHBondContact OD1-N 3.26Å; N215-N219 PolarHBondContact N-O 2.8Å; N215-N219 PolarHBondContact OD1-N 3.08Å; N215-N219 PolarHBondContact OD1-O 3.01Å; N215-F221 HydrophobicContact CB-CE1 3.84Å; N215-F221 HydrophobicContact CB-CE2 4.14Å; N215-F221 HydrophobicContact CB-CZ 3.59Å
216	H	71.8	Confident	85.2	Confident	150 Å²	150	46.8 Å²	46.8	69%	0.694	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-5.6	179.4	58.5	-88.1	0	0	0	114.1	L70	L70-H216 WeakPolarHBondContact CD1-NE2 3.22Å; L70-H216 WeakPolarHBondContact CD2-CE1 3.49Å; L70-H216 VanDerWaalsContact CD2-NE2 3.31Å; L70-H216 WeakPolarHBondContact CD2-NE2 3.43Å
217	Q	63.8	Low	85.2	Confident	81 Å²	81	43.6 Å²	43.6	38%	0.379	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	22.1	170.5	-72.4	-162.7	-20.5	0	0	113.3	L70 N215 N219	L70-Q217 HydrophobicContact CD1-CB 4.39Å; L70-Q217 HydrophobicContact CD1-CG 3.48Å; L70-Q217 VanDerWaalsContact CD1-CG 3.48Å; N215-Q217 PolarHBondContact O-N 2.72Å; N215-Q217 VanDerWaalsContact OD1-C 3.27Å; N215-Q217 WeakPolarHBondContact OD1-CA 3.29Å; N215-Q217 PolarHBondContact OD1-N 3.02Å; N215-Q217 VanDerWaalsContact OD1-N 3.13Å; Q217-N219 PolarHBondContact O-N 3.22Å; Q217-N219 VanDerWaalsContact O-N 3.08Å
218	V	75.9	Confident	85.3	Confident	73 Å²	73	41.4 Å²	41.4	44%	0.442	22%	0.224	S	C	.	.	S	Bend	trans	71.2	2.7	169.8	-170.5	0	0	0	0	113.4	N215 Q262 V263	N215-V218 PolarHBondContact O-N 3.03Å; N215-V218 PolarHBondContact OD1-N 3.26Å; V218-Q262 HydrophobicContact CG1-CB 4.47Å; V218-Q262 CarbonylContact O-C 3.57Å; V218-Q262 WeakPolarHBondContact O-CA 3.35Å; V218-V263 HydrophobicContact CB-CG2 4.29Å; V218-V263 HydrophobicContact CG1-CB 3.59Å; V218-V263 HydrophobicContact CG1-CG2 3.6Å; V218-V263 PolarHBondContact O-N 2.9Å
219	N	83.6	Confident	85.3	Confident	16 Å²	16	37.4 Å²	37.4	9%	0.086	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-85.4	132.8	174.5	-68.2	-55.4	0	0	0	111.1	Q134 A214 N215 Q217 F221 S261	Q134-N219 PolarHBondContact NE2-ND2 3.45Å; Q134-N219 PolarHBondContact OE1-ND2 3.5Å; A214-N219 CarbonylContact C-O 3.5Å; A214-N219 WeakPolarHBondContact CA-O 3.28Å; A214-N219 VanDerWaalsContact CB-O 3.29Å; A214-N219 WeakPolarHBondContact CB-O 3.44Å; N215-N219 PolarHBondContact N-O 2.8Å; N215-N219 PolarHBondContact OD1-N 3.08Å; N215-N219 PolarHBondContact OD1-O 3.01Å; Q217-N219 PolarHBondContact O-N 3.22Å; Q217-N219 VanDerWaalsContact O-N 3.08Å; N219-F221 PolarHBondContact O-N 3.37Å; N219-S261 WeakPolarHBondContact CA-O 2.97Å
220	T	85.3	Confident	85.4	Confident	14 Å²	14	37.5 Å²	37.5	9%	0.086	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-62.9	134.9	179.1	-44.1	0	0	0	0	111	V209 H213 I225 S261	V209-T220 HydrophobicContact CG1-CG2 4.07Å; V209-T220 WeakPolarHBondContact CG1-OG1 3.45Å; V209-T220 HydrophobicContact CG2-CG2 4.4Å; H213-T220 WeakPolarHBondContact O-CA 3.3Å; H213-T220 WeakPolarHBondContact O-CG2 3.29Å; T220-I225 HydrophobicContact CG2-CD1 4.07Å; T220-I225 HydrophobicContact CG2-CG1 3.81Å; T220-S261 PolarHBondContact N-O 3.46Å; T220-S261 VanDerWaalsContact OG1-C 3.29Å; T220-S261 WeakPolarHBondContact OG1-CB 3.14Å; T220-S261 PolarHBondContact OG1-O 2.93Å; T220-S261 PolarHBondContact OG1-OG 2.9Å
221	F	84	Confident	85.4	Confident	64 Å²	64	37.3 Å²	37.3	28%	0.281	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-65.4	133.3	172.1	-73.6	-71.2	0	0	0	110.7	H213 A214 N215 N219 G223 Q224 I225	H213-F221 PolarHBondContact O-N 2.77Å; A214-F221 VanDerWaalsContact O-CE2 3.26Å; A214-F221 WeakPolarHBondContact O-CE2 3.35Å; N215-F221 HydrophobicContact CB-CE1 3.84Å; N215-F221 HydrophobicContact CB-CE2 4.14Å; N215-F221 HydrophobicContact CB-CZ 3.59Å; N219-F221 PolarHBondContact O-N 3.37Å; F221-G223 PolarHBondContact O-N 3.19Å; F221-Q224 HydrophobicContact CB-CB 4.37Å; F221-Q224 PolarHBondContact O-N 2.82Å; F221-Q224 VanDerWaalsContact O-N 3.08Å; F221-I225 PolarHBondContact O-N 2.97Å
222	G	85.7	Confident	85.5	Confident	7 Å²	7	33 Å²	33	7%	0.072	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-38.7	177.6	0	0	0	0	0	111.7	D56 Q224 I225 M226	D56-G222 PolarHBondContact OD2-N 2.97Å; G222-Q224 VanDerWaalsContact C-N 3.29Å; G222-Q224 PolarHBondContact O-N 2.87Å; G222-I225 PolarHBondContact O-N 2.77Å; G222-M226 WeakPolarHBondContact O-CG 3.34Å; G222-M226 PolarHBondContact O-N 2.74Å
223	G	88.1	Confident	85.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-35.3	175.5	0	0	0	0	0	114.3	D56 F221 A227	D56-G223 VanDerWaalsContact CG-N 3.28Å; D56-G223 PolarHBondContact OD2-N 3.47Å; F221-G223 PolarHBondContact O-N 3.19Å; G223-A227 WeakPolarHBondContact O-CB 3.37Å; G223-A227 PolarHBondContact O-N 2.86Å
224	Q	90.4	Very high	85.7	Confident	18 Å²	18	28.7 Å²	28.7	8%	0.084	15%	0.149	C	C	.	.	H	α-helix	trans	-72.5	-39.5	177.8	-170.7	60.8	55.4	0	0	111.5	H213 F221 G222 A227 W228	H213-Q224 HydrophobicContact CB-CG 3.97Å; F221-Q224 HydrophobicContact CB-CB 4.37Å; F221-Q224 PolarHBondContact O-N 2.82Å; F221-Q224 VanDerWaalsContact O-N 3.08Å; G222-Q224 VanDerWaalsContact C-N 3.29Å; G222-Q224 PolarHBondContact O-N 2.87Å; Q224-A227 WeakPolarHBondContact O-CB 2.82Å; Q224-A227 PolarHBondContact O-N 3.38Å; Q224-W228 HydrophobicContact CG-CD2 4.24Å; Q224-W228 HydrophobicContact CG-CE3 4.25Å; Q224-W228 HydrophobicContact CG-CH2 3.65Å; Q224-W228 HydrophobicContact CG-CZ2 3.65Å; Q224-W228 HydrophobicContact CG-CZ3 3.93Å; Q224-W228 VanDerWaalsContact NE2-CE2 3.3Å; Q224-W228 PolarHBondContact O-N 2.78Å; Q224-W228 VanDerWaalsContact O-N 3.13Å
225	I	91.9	Very high	85.9	Confident	4 Å²	4	33 Å²	33	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-45.9	174.2	-58.6	177.8	0	0	0	109.8	T220 F221 G222 A227 W228 M229 F257 L267 A287 I299	T220-I225 HydrophobicContact CG2-CD1 4.07Å; T220-I225 HydrophobicContact CG2-CG1 3.81Å; F221-I225 PolarHBondContact O-N 2.97Å; G222-I225 PolarHBondContact O-N 2.77Å; I225-A227 VanDerWaalsContact C-N 3.3Å; I225-A227 PolarHBondContact O-N 3.36Å; I225-W228 PolarHBondContact O-N 3.29Å; I225-M229 HydrophobicContact CG2-CG 4.34Å; I225-M229 HydrophobicContact CG2-SD 4Å; I225-M229 VanDerWaalsContact O-CG 3.27Å; I225-M229 WeakPolarHBondContact O-CG 3.39Å; I225-M229 PolarHBondContact O-N 2.7Å; I225-F257 HydrophobicContact CB-CE1 4.37Å; I225-F257 HydrophobicContact CD1-CE1 4.35Å; I225-F257 HydrophobicContact CG2-CE1 4.29Å; I225-L267 HydrophobicContact CD1-CD1 4.46Å; I225-L267 HydrophobicContact CG1-CD1 4.11Å; I225-A287 HydrophobicContact CG2-CB 4.49Å; I225-I299 HydrophobicContact CD1-CG2 4.08Å
226	M	91.8	Very high	86.4	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-57.1	-43.5	175.1	-71.4	-170.8	-79.6	0	0	112	L52 D56 G222 W228 M229 V230 F255 F257	L52-M226 HydrophobicContact CB-CB 4.17Å; L52-M226 HydrophobicContact CB-SD 4.47Å; L52-M226 HydrophobicContact CD1-CB 4.05Å; D56-M226 HydrophobicContact CB-CE 3.69Å; G222-M226 WeakPolarHBondContact O-CG 3.34Å; G222-M226 PolarHBondContact O-N 2.74Å; M226-W228 PolarHBondContact O-N 3.02Å; M226-M229 PolarHBondContact O-N 2.86Å; M226-V230 WeakPolarHBondContact O-CG2 3.21Å; M226-V230 PolarHBondContact O-N 3.42Å; M226-F255 HydrophobicContact CG-CE2 4.45Å; M226-F255 HydrophobicContact CG-CZ 3.86Å; M226-F255 HydrophobicContact SD-CE2 4.43Å; M226-F255 HydrophobicContact SD-CZ 3.6Å; M226-F257 HydrophobicContact CG-CZ 4.29Å
227	A	91.8	Very high	86.7	Confident	6 Å²	6	25.2 Å²	25.2	5%	0.05	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-46.5	178.7	0	0	0	0	0	112.2	G49 G223 Q224 I225 V230 N231	G49-A227 VanDerWaalsContact O-CB 3.27Å; G49-A227 WeakPolarHBondContact O-CB 3.45Å; G223-A227 WeakPolarHBondContact O-CB 3.37Å; G223-A227 PolarHBondContact O-N 2.86Å; Q224-A227 WeakPolarHBondContact O-CB 2.82Å; Q224-A227 PolarHBondContact O-N 3.38Å; I225-A227 VanDerWaalsContact C-N 3.3Å; I225-A227 PolarHBondContact O-N 3.36Å; A227-V230 PolarHBondContact O-N 2.81Å; A227-N231 VanDerWaalsContact O-CG 3.32Å; A227-N231 PolarHBondContact O-N 3.2Å; A227-N231 VanDerWaalsContact O-N 3.12Å
228	W	93.3	Very high	87.2	Confident	18 Å²	18	26 Å²	26	7%	0.068	13%	0.133	C	C	.	.	H	α-helix	trans	-66.8	-39.9	176.7	-62.7	-43.5	0	0	0	112.5	E207 V209 H213 Q224 I225 M226 V230 N231 V232 L267 L269	E207-W228 HydrophobicContact CB-CD2 4.06Å; E207-W228 HydrophobicContact CB-CE3 4.22Å; E207-W228 HydrophobicContact CB-CH2 4.45Å; E207-W228 HydrophobicContact CB-CZ2 4.28Å; E207-W228 HydrophobicContact CB-CZ3 4.45Å; E207-W228 HydrophobicContact CG-CB 4.39Å; E207-W228 HydrophobicContact CG-CD2 4Å; E207-W228 HydrophobicContact CG-CG 3.96Å; V209-W228 HydrophobicContact CG2-CZ3 4.48Å; H213-W228 HydrophobicContact CB-CH2 4Å; H213-W228 HydrophobicContact CB-CZ2 4.5Å; H213-W228 AromaticContact CE1-CZ2 3.58Å; H213-W228 AromaticContact CG-CH2 3.75Å; H213-W228 AromaticContact CG-CZ2 3.81Å; H213-W228 AromaticContact ND1-CH2 3.39Å; H213-W228 WeakPolarHBondContact ND1-CH2 3.25Å; H213-W228 AromaticContact ND1-CZ2 3.34Å; H213-W228 VanDerWaalsContact ND1-CZ2 3.34Å; H213-W228 WeakPolarHBondContact ND1-CZ2 3.33Å; Q224-W228 HydrophobicContact CG-CD2 4.24Å; Q224-W228 HydrophobicContact CG-CE3 4.25Å; Q224-W228 HydrophobicContact CG-CH2 3.65Å; Q224-W228 HydrophobicContact CG-CZ2 3.65Å; Q224-W228 HydrophobicContact CG-CZ3 3.93Å; Q224-W228 VanDerWaalsContact NE2-CE2 3.3Å; Q224-W228 PolarHBondContact O-N 2.78Å; Q224-W228 VanDerWaalsContact O-N 3.13Å; I225-W228 PolarHBondContact O-N 3.29Å; M226-W228 PolarHBondContact O-N 3.02Å; W228-V230 VanDerWaalsContact C-N 3.33Å; W228-V230 PolarHBondContact O-N 2.94Å; W228-N231 PolarHBondContact O-N 3.29Å; W228-V232 WeakPolarHBondContact O-CG2 3.32Å; W228-V232 PolarHBondContact O-N 3.47Å; W228-L267 HydrophobicContact CE3-CD1 3.92Å; W228-L267 HydrophobicContact CZ3-CD1 3.5Å; W228-L269 HydrophobicContact CB-CD1 3.46Å; W228-L269 VanDerWaalsContact CB-CD1 3.46Å; W228-L269 HydrophobicContact CG-CD1 4.46Å
229	M	93.3	Very high	86.2	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.7	-71.8	178.1	75.6	0	0	111.7	I225 M226 N231 V232 A233 L269 V285 A287 N300 A302 M304	I225-M229 HydrophobicContact CG2-CG 4.34Å; I225-M229 HydrophobicContact CG2-SD 4Å; I225-M229 VanDerWaalsContact O-CG 3.27Å; I225-M229 WeakPolarHBondContact O-CG 3.39Å; I225-M229 PolarHBondContact O-N 2.7Å; M226-M229 PolarHBondContact O-N 2.86Å; M229-N231 VanDerWaalsContact C-N 3.33Å; M229-N231 PolarHBondContact O-N 2.75Å; M229-V232 PolarHBondContact O-N 3.3Å; M229-A233 VanDerWaalsContact O-CB 3.23Å; M229-A233 WeakPolarHBondContact O-CB 3.35Å; M229-A233 PolarHBondContact O-N 2.95Å; M229-L269 HydrophobicContact CG-CD2 3.81Å; M229-V285 HydrophobicContact CB-CG1 4.06Å; M229-V285 HydrophobicContact CE-CB 3.76Å; M229-V285 HydrophobicContact CE-CG1 3.82Å; M229-V285 HydrophobicContact CG-CG1 3.95Å; M229-A287 HydrophobicContact SD-CB 4.34Å; M229-N300 WeakPolarHBondContact CE-OD1 3.37Å; M229-A302 HydrophobicContact CE-CB 3.42Å; M229-A302 VanDerWaalsContact CE-CB 3.42Å; M229-M304 HydrophobicContact CB-CE 3.87Å
230	V	91.9	Very high	84.6	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-40.6	176.9	171.1	0	0	0	0	111.2	V48 L52 M226 A227 W228 A233 T234 L249 M304	V48-V230 HydrophobicContact CB-CG1 4.33Å; L52-V230 HydrophobicContact CD1-CG2 3.63Å; M226-V230 WeakPolarHBondContact O-CG2 3.21Å; M226-V230 PolarHBondContact O-N 3.42Å; A227-V230 PolarHBondContact O-N 2.81Å; W228-V230 VanDerWaalsContact C-N 3.33Å; W228-V230 PolarHBondContact O-N 2.94Å; V230-A233 PolarHBondContact O-N 3.02Å; V230-T234 VanDerWaalsContact O-CB 3.29Å; V230-T234 WeakPolarHBondContact O-CB 3.49Å; V230-T234 PolarHBondContact O-N 3.28Å; V230-T234 PolarHBondContact O-OG1 3.49Å; V230-L249 HydrophobicContact CG1-CD2 4.1Å; V230-L249 HydrophobicContact CG2-CD2 4.06Å; V230-M304 HydrophobicContact CB-CE 4.5Å; V230-M304 HydrophobicContact CB-SD 4.48Å; V230-M304 HydrophobicContact CG2-CE 3.65Å; V230-M304 HydrophobicContact CG2-SD 3.89Å
231	N	89.7	Confident	83.1	Confident	72 Å²	72	36.2 Å²	36.2	39%	0.385	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-49.4	178.3	-69.8	-13.8	0	0	0	111.2	A227 W228 M229 A233 T234 I235	A227-N231 VanDerWaalsContact O-CG 3.32Å; A227-N231 PolarHBondContact O-N 3.2Å; A227-N231 VanDerWaalsContact O-N 3.12Å; W228-N231 PolarHBondContact O-N 3.29Å; M229-N231 VanDerWaalsContact C-N 3.33Å; M229-N231 PolarHBondContact O-N 2.75Å; N231-A233 PolarHBondContact O-N 2.98Å; N231-T234 PolarHBondContact O-N 3.46Å; N231-I235 VanDerWaalsContact O-CG1 3.28Å; N231-I235 WeakPolarHBondContact O-CG1 3.31Å; N231-I235 PolarHBondContact O-N 3.28Å
232	V	91.1	Very high	81.6	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-40.2	178.7	-175.1	0	0	0	0	111	V203 W228 M229 T234 I235 A236 L269 A271	V203-V232 HydrophobicContact CB-CG1 4.08Å; V203-V232 HydrophobicContact CG1-CG1 3.76Å; W228-V232 WeakPolarHBondContact O-CG2 3.32Å; W228-V232 PolarHBondContact O-N 3.47Å; M229-V232 PolarHBondContact O-N 3.3Å; V232-T234 VanDerWaalsContact C-N 3.33Å; V232-T234 PolarHBondContact O-N 2.92Å; V232-I235 PolarHBondContact O-N 3.13Å; V232-A236 PolarHBondContact O-N 3.39Å; V232-L269 HydrophobicContact CB-CB 4.47Å; V232-L269 HydrophobicContact CG1-CB 4.46Å; V232-L269 HydrophobicContact CG2-CB 3.92Å; V232-L269 HydrophobicContact CG2-CD1 3.89Å; V232-A271 HydrophobicContact CB-CB 4.45Å; V232-A271 HydrophobicContact CG1-CB 3.6Å
233	A	90.6	Very high	80.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-43.2	174.6	0	0	0	0	0	111.9	M229 V230 N231 I235 A236 A237 V283 V285 M304 F306	M229-A233 VanDerWaalsContact O-CB 3.23Å; M229-A233 WeakPolarHBondContact O-CB 3.35Å; M229-A233 PolarHBondContact O-N 2.95Å; V230-A233 PolarHBondContact O-N 3.02Å; N231-A233 PolarHBondContact O-N 2.98Å; A233-I235 VanDerWaalsContact C-N 3.3Å; A233-I235 PolarHBondContact O-N 2.91Å; A233-A236 PolarHBondContact O-N 2.95Å; A233-A237 WeakPolarHBondContact O-CB 3.2Å; A233-A237 PolarHBondContact O-N 3.27Å; A233-V283 HydrophobicContact CB-CB 4.49Å; A233-V283 HydrophobicContact CB-CG1 4.22Å; A233-V285 HydrophobicContact CB-CG2 3.63Å; A233-M304 HydrophobicContact CB-SD 3.46Å; A233-M304 WeakPolarHBondContact CB-SD 3.46Å; A233-F306 HydrophobicContact CB-CE2 3.88Å; A233-F306 HydrophobicContact CB-CZ 3.7Å
234	T	87.6	Confident	78.6	Confident	41 Å²	41	45.6 Å²	45.6	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-65.7	-36.4	-180	-57.2	0	0	0	0	110.8	V230 N231 V232 R238	V230-T234 VanDerWaalsContact O-CB 3.29Å; V230-T234 WeakPolarHBondContact O-CB 3.49Å; V230-T234 PolarHBondContact O-N 3.28Å; V230-T234 PolarHBondContact O-OG1 3.49Å; N231-T234 PolarHBondContact O-N 3.46Å; V232-T234 VanDerWaalsContact C-N 3.33Å; V232-T234 PolarHBondContact O-N 2.92Å; T234-R238 WeakPolarHBondContact O-CB 3.23Å; T234-R238 PolarHBondContact O-N 3.29Å
235	I	87	Confident	77.3	Confident	101 Å²	101	45.2 Å²	45.2	52%	0.518	23%	0.228	S	C	.	.	H	α-helix	trans	-68	-44.1	174.5	-61.1	162.7	0	0	0	110.3	V203 N231 V232 A233 A237 R238	V203-I235 HydrophobicContact CG1-CB 4.3Å; V203-I235 HydrophobicContact CG1-CG2 4Å; V203-I235 HydrophobicContact CG2-CB 4.37Å; V203-I235 HydrophobicContact CG2-CG2 3.86Å; N231-I235 VanDerWaalsContact O-CG1 3.28Å; N231-I235 WeakPolarHBondContact O-CG1 3.31Å; N231-I235 PolarHBondContact O-N 3.28Å; V232-I235 PolarHBondContact O-N 3.13Å; A233-I235 VanDerWaalsContact C-N 3.3Å; A233-I235 PolarHBondContact O-N 2.91Å; I235-A237 VanDerWaalsContact C-N 3.34Å; I235-R238 PolarHBondContact O-N 2.95Å
236	A	85.3	Confident	76.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-37.6	177	0	0	0	0	0	112.4	T201 V203 V232 A233 R238 A271 V283	T201-A236 WeakPolarHBondContact O-CB 3.05Å; V203-A236 HydrophobicContact CB-CB 4.2Å; V203-A236 HydrophobicContact CG2-CB 3.75Å; V232-A236 PolarHBondContact O-N 3.39Å; A233-A236 PolarHBondContact O-N 2.95Å; A236-R238 PolarHBondContact O-N 2.91Å; A236-A271 HydrophobicContact CB-CB 3.71Å; A236-V283 HydrophobicContact CB-CG1 3.99Å
237	A	79.1	Confident	75.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-20.3	175.3	0	0	0	0	0	112.8	A233 I235 P239 P247 L281 V283 F306	A233-A237 WeakPolarHBondContact O-CB 3.2Å; A233-A237 PolarHBondContact O-N 3.27Å; I235-A237 VanDerWaalsContact C-N 3.34Å; A237-P239 WeakPolarHBondContact O-CD 3.3Å; A237-P247 HydrophobicContact CB-CB 3.97Å; A237-P247 HydrophobicContact CB-CG 3.92Å; A237-L281 HydrophobicContact CB-CD1 3.67Å; A237-L281 HydrophobicContact CB-CD2 4.42Å; A237-V283 HydrophobicContact CB-CG2 3.88Å; A237-F306 HydrophobicContact CB-CB 4.43Å; A237-F306 HydrophobicContact CB-CD1 4Å; A237-F306 HydrophobicContact CB-CD2 3.78Å; A237-F306 HydrophobicContact CB-CE1 4.15Å; A237-F306 HydrophobicContact CB-CE2 3.94Å; A237-F306 HydrophobicContact CB-CG 3.81Å; A237-F306 HydrophobicContact CB-CZ 4.12Å
238	R	74.4	Confident	75.3	Confident	97 Å²	97	48.4 Å²	48.4	37%	0.366	25%	0.245	S	C	.	.	S	Bend	trans	-98.2	86.9	-177.9	-170.2	-171.7	-162.8	131.6	-1.2	108.5	H42 T234 I235 A236 S240 H246 P247	H42-R238 PolarHBondContact CD2-NH1 3.39Å; H42-R238 PolarHBondContact CE1-NH2 3.09Å; H42-R238 VanDerWaalsContact NE2-CZ 3.33Å; H42-R238 PolarHBondContact NE2-NH1 2.96Å; H42-R238 PolarHBondContact NE2-NH2 3.23Å; T234-R238 WeakPolarHBondContact O-CB 3.23Å; T234-R238 PolarHBondContact O-N 3.29Å; I235-R238 PolarHBondContact O-N 2.95Å; A236-R238 PolarHBondContact O-N 2.91Å; R238-S240 PolarHBondContact O-N 3.19Å; R238-H246 PolarHBondContact NH2-CE1 3.36Å; R238-H246 PolarHBondContact NH2-ND1 3.22Å; R238-H246 VanDerWaalsContact NH2-ND1 3.18Å; R238-P247 HydrophobicContact CB-CG 4.05Å
239	P	54	Low	75	Confident	21 Å²	21	48.4 Å²	48.4	14%	0.136	25%	0.246	C	C	.	.			trans	-89.6	100.2	-172.6	6	19.6	0	0	0	103.7	A237 R241 L242 C243	A237-P239 WeakPolarHBondContact O-CD 3.3Å; P239-R241 PolarHBondContact O-N 3.33Å; P239-L242 HydrophobicContact CB-CB 3.67Å; P239-L242 HydrophobicContact CB-CD1 3.87Å; P239-L242 HydrophobicContact CB-CG 3.95Å; P239-L242 HydrophobicContact CG-CB 3.85Å; P239-L242 HydrophobicContact CG-CD1 4.12Å; P239-L242 HydrophobicContact CG-CG 4.43Å; P239-L242 PolarHBondContact O-N 3.04Å; P239-C243 PolarHBondContact O-N 2.91Å
240	S	50.9	Low	74.8	Confident	119 Å²	119	53.4 Å²	53.4	83%	0.832	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	5.6	162.5	56.4	0	0	0	0	113.3	R238	R238-S240 PolarHBondContact O-N 3.19Å
241	R	52.4	Low	74.6	Confident	178 Å²	178	53.5 Å²	53.5	67%	0.672	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	6.1	175.5	-59.3	-173.8	-177.8	-175	-0.4	114.6	P239	P239-R241 PolarHBondContact O-N 3.33Å
242	L	52.7	Low	74.7	Confident	41 Å²	41	50.1 Å²	50.1	22%	0.215	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-38.5	178.1	-66.6	166.2	0	0	0	115.5	T196 T201 P239 P319	T196-L242 HydrophobicContact CG2-CD1 3.85Å; T196-L242 HydrophobicContact CG2-CD2 3.46Å; T196-L242 VanDerWaalsContact CG2-CD2 3.46Å; T196-L242 HydrophobicContact CG2-CG 3.89Å; T196-L242 WeakPolarHBondContact OG1-CD2 3.34Å; T201-L242 HydrophobicContact CG2-CD1 4.33Å; P239-L242 HydrophobicContact CB-CB 3.67Å; P239-L242 HydrophobicContact CB-CD1 3.87Å; P239-L242 HydrophobicContact CB-CG 3.95Å; P239-L242 HydrophobicContact CG-CB 3.85Å; P239-L242 HydrophobicContact CG-CD1 4.12Å; P239-L242 HydrophobicContact CG-CG 4.43Å; P239-L242 PolarHBondContact O-N 3.04Å; L242-P319 HydrophobicContact CB-CG 4.01Å; L242-P319 HydrophobicContact CD2-CB 4.24Å; L242-P319 HydrophobicContact CD2-CG 3.36Å; L242-P319 HydrophobicContact CG-CG 4.17Å
243	C	53.6	Low	74.5	Confident	25 Å²	25	50.3 Å²	50.3	17%	0.169	25%	0.248	C	C	.	.			trans	-146.6	138.7	178.1	-73.7	0	0	0	0	109.9	P239 A245 V308 L318	P239-C243 PolarHBondContact O-N 2.91Å; C243-A245 HydrophobicContact CB-CB 4.46Å; C243-A245 PolarHBondContact O-N 3.17Å; C243-V308 HydrophobicContact CB-CG1 4.47Å; C243-L318 VanDerWaalsContact SG-CD2 3.52Å
244	Q	57.4	Low	74.3	Confident	202 Å²	202	51 Å²	51	94%	0.944	25%	0.252	S	S	*	.	S	Bend	trans	-75.5	-3.1	172.2	-69.8	-174.9	-15.9	0	0	113
245	A	64.1	Low	74.4	Confident	9 Å²	9	49.6 Å²	49.6	7%	0.074	24%	0.242	C	C	.	.	S	Bend	trans	-85.8	162	-174.5	0	0	0	0	0	113.6	C243 V308 L309	C243-A245 HydrophobicContact CB-CB 4.46Å; C243-A245 PolarHBondContact O-N 3.17Å; A245-V308 HydrophobicContact CB-CG1 3.43Å; A245-V308 VanDerWaalsContact CB-CG1 3.43Å; A245-L309 WeakPolarHBondContact CB-O 3.42Å
246	H	71.1	Confident	74.6	Confident	47 Å²	47	47.8 Å²	47.8	22%	0.218	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.1	-178.1	-61.6	-51.5	0	0	0	110.9	H42 R43 R238 T248	H42-H246 AromaticContact CE1-CE1 3.32Å; H42-H246 PolarHBondContact CE1-CE1 3.4Å; H42-H246 AromaticContact CE1-CG 3.97Å; H42-H246 AromaticContact CE1-ND1 3.52Å; H42-H246 AromaticContact CE1-NE2 3.6Å; H42-H246 AromaticContact NE2-CE1 3.89Å; H42-H246 AromaticContact NE2-ND1 3.74Å; R43-H246 VanDerWaalsContact CD-CD2 3.45Å; R43-H246 WeakPolarHBondContact CD-CD2 3.41Å; R238-H246 PolarHBondContact NH2-CE1 3.36Å; R238-H246 PolarHBondContact NH2-ND1 3.22Å; R238-H246 VanDerWaalsContact NH2-ND1 3.18Å; H246-T248 PolarHBondContact O-N 2.92Å
247	P	78	Confident	74.8	Confident	14 Å²	14	49.4 Å²	49.4	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.5	176.5	30	-33.8	0	0	0	110.1	A237 R238 F306 V308	A237-P247 HydrophobicContact CB-CB 3.97Å; A237-P247 HydrophobicContact CB-CG 3.92Å; R238-P247 HydrophobicContact CB-CG 4.05Å; P247-F306 HydrophobicContact CB-CB 4.05Å; P247-F306 HydrophobicContact CB-CD1 3.93Å; P247-F306 HydrophobicContact CB-CG 4.29Å; P247-V308 HydrophobicContact CB-CG2 4.26Å
248	T	83.6	Confident	75.1	Confident	23 Å²	23	57.9 Å²	57.9	14%	0.141	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.6	172.3	55.9	0	0	0	0	109.4	H246 R250 F306 E307	H246-T248 PolarHBondContact O-N 2.92Å; T248-R250 PolarHBondContact O-N 2.92Å; T248-F306 CarbonylContact O-C 3.57Å; T248-F306 VanDerWaalsContact O-CA 3.24Å; T248-F306 WeakPolarHBondContact O-CA 3.47Å; T248-E307 PolarHBondContact N-O 3.18Å; T248-E307 PolarHBondContact O-N 3.37Å; T248-E307 PolarHBondContact OG1-O 2.93Å
249	L	87.3	Confident	75.4	Confident	18 Å²	18	54.5 Å²	54.5	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.7	179.6	-177.5	60.8	0	0	0	109.4	V48 F81 V230 I252 M304 F306	V48-L249 HydrophobicContact CB-CD2 4.09Å; V48-L249 HydrophobicContact CG1-CD2 3.75Å; V48-L249 HydrophobicContact CG2-CB 4.27Å; F81-L249 HydrophobicContact CD2-CG 4.36Å; F81-L249 HydrophobicContact CE2-CD2 4.16Å; F81-L249 HydrophobicContact CE2-CG 4.24Å; V230-L249 HydrophobicContact CG1-CD2 4.1Å; V230-L249 HydrophobicContact CG2-CD2 4.06Å; L249-I252 HydrophobicContact CD1-CG1 4.32Å; L249-I252 HydrophobicContact CD2-CD1 3.89Å; L249-I252 HydrophobicContact CD2-CG1 3.92Å; L249-I252 HydrophobicContact CG-CG1 4.37Å; L249-M304 HydrophobicContact CD1-CB 3.78Å; L249-M304 HydrophobicContact CD1-CG 4.37Å; L249-F306 HydrophobicContact CB-CD1 4.03Å; L249-F306 HydrophobicContact CB-CE1 3.86Å; L249-F306 HydrophobicContact CD1-CD1 4.19Å; L249-F306 HydrophobicContact CD1-CD2 4.19Å; L249-F306 HydrophobicContact CD1-CE1 3.96Å; L249-F306 HydrophobicContact CD1-CE2 3.96Å; L249-F306 HydrophobicContact CD1-CG 4.3Å; L249-F306 HydrophobicContact CD1-CZ 3.84Å; L249-F306 HydrophobicContact CG-CE1 4.43Å
250	R	87.8	Confident	76.8	Confident	106 Å²	106	57.3 Å²	57.3	40%	0.4	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-39.2	-177.7	-174.6	63.1	-176.5	178.3	-0.6	112.7	F81 E82 T248 T305	F81-R250 PolarHBondContact N-O 2.87Å; F81-R250 WeakPolarHBondContact O-CD 3.26Å; F81-R250 PolarHBondContact O-NE 2.82Å; F81-R250 PolarHBondContact O-NH1 3.37Å; E82-R250 VanDerWaalsContact C-NH1 3.32Å; E82-R250 PolarHBondContact O-NH1 3.47Å; T248-R250 PolarHBondContact O-N 2.92Å; R250-T305 PolarHBondContact N-O 3.12Å
251	A	89.1	Confident	78.4	Confident	4 Å²	4	52 Å²	52	3%	0.033	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.9	-178.9	0	0	0	0	0	112.7	I79 T305	I79-A251 CarbonylContact O-C 3.47Å; I79-A251 WeakPolarHBondContact O-CA 3.44Å; A251-T305 PolarHBondContact N-O 3.12Å; A251-T305 PolarHBondContact O-N 2.87Å
252	I	90.8	Very high	80	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.1	170.5	-56.7	170.6	0	0	0	106.9	L52 D78 I79 F81 L249 F255 M304	L52-I252 HydrophobicContact CD1-CD1 3.54Å; L52-I252 HydrophobicContact CD2-CD1 4.12Å; L52-I252 HydrophobicContact CG-CD1 4.38Å; D78-I252 WeakPolarHBondContact CA-O 3.46Å; I79-I252 HydrophobicContact CB-CB 4.37Å; I79-I252 HydrophobicContact CD1-CD1 4.47Å; I79-I252 PolarHBondContact N-O 3.29Å; I79-I252 PolarHBondContact O-N 2.93Å; F81-I252 HydrophobicContact CE2-CD1 3.89Å; F81-I252 HydrophobicContact CE2-CG1 4.1Å; F81-I252 HydrophobicContact CZ-CD1 4.17Å; L249-I252 HydrophobicContact CD1-CG1 4.32Å; L249-I252 HydrophobicContact CD2-CD1 3.89Å; L249-I252 HydrophobicContact CD2-CG1 3.92Å; L249-I252 HydrophobicContact CG-CG1 4.37Å; I252-F255 HydrophobicContact CG2-CD1 4.07Å; I252-F255 HydrophobicContact CG2-CE1 3.78Å; I252-M304 HydrophobicContact CG1-CG 4.3Å; I252-M304 HydrophobicContact CG2-CG 4.46Å
253	D	88.6	Confident	81.7	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.043	24%	0.241	C	C	.	.			trans	-75.3	153.1	178.7	-69	-7	0	0	0	110.8	D78 F255 F303 R338 R342	D78-D253 WeakPolarHBondContact OD1-CA 3.3Å; D253-F255 VanDerWaalsContact O-CD1 3.3Å; D253-F255 WeakPolarHBondContact O-CD1 3.49Å; D253-F255 PolarHBondContact O-N 3.43Å; D253-F303 HydrophobicContact CB-CB 4.25Å; D253-F303 PolarHBondContact N-O 2.54Å; D253-R338 WeakPolarHBondContact OD2-CD 3.47Å; D253-R342 VanDerWaalsContact CG-NH2 3.27Å; D253-R342 IonicContact OD1-CZ 3.19Å; D253-R342 VanDerWaalsContact OD1-CZ 3.32Å; D253-R342 IonicContact OD1-NE 2.87Å; D253-R342 PolarHBondContact OD1-NE 3.46Å; D253-R342 IonicContact OD1-NH2 2.82Å; D253-R342 PolarHBondContact OD1-NH2 3.05Å; D253-R342 IonicContact OD2-CZ 3.93Å; D253-R342 IonicContact OD2-NH2 3.52Å; D253-R342 PolarHBondContact OD2-NH2 2.85Å
254	M	86.3	Confident	83.3	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.069	25%	0.254	C	S	.	.			trans	-55.4	130.3	178.7	-178.6	-166.6	93.9	0	0	111.4	M76 D78 R168 H171	M76-M254 VanDerWaalsContact O-CA 3.28Å; M76-M254 WeakPolarHBondContact O-CA 3.34Å; M76-M254 VanDerWaalsContact O-CG 3.25Å; M76-M254 WeakPolarHBondContact O-CG 3.27Å; D78-M254 WeakPolarHBondContact OD1-CB 3.33Å; D78-M254 PolarHBondContact OD1-N 3.14Å; R168-M254 HydrophobicContact CB-CE 4.39Å; R168-M254 HydrophobicContact CB-SD 4.12Å; R168-M254 HydrophobicContact CG-SD 3.71Å; H171-M254 HydrophobicContact CB-CE 3.29Å; H171-M254 HydrophobicContact CB-SD 4.48Å; H171-M254 VanDerWaalsContact ND1-CE 3.26Å; H171-M254 WeakPolarHBondContact ND1-CE 3.37Å
255	F	89.8	Confident	84.8	Confident	11 Å²	11	39 Å²	39	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162.7	178.8	64.5	-99.7	0	0	0	112.3	S75 M76 M226 I252 D253 F257 N300 S301 A302	S75-F255 VanDerWaalsContact CA-O 3.27Å; S75-F255 WeakPolarHBondContact CA-O 3.47Å; S75-F255 VanDerWaalsContact CB-O 3.26Å; S75-F255 WeakPolarHBondContact CB-O 3.31Å; M76-F255 HydrophobicContact CB-CE1 4Å; M76-F255 HydrophobicContact CB-CE2 4.09Å; M76-F255 HydrophobicContact CB-CZ 3.72Å; M76-F255 HydrophobicContact CG-CZ 4.45Å; M76-F255 PolarHBondContact N-O 2.89Å; M76-F255 PolarHBondContact O-N 2.91Å; M76-F255 VanDerWaalsContact O-N 3.12Å; M226-F255 HydrophobicContact CG-CE2 4.45Å; M226-F255 HydrophobicContact CG-CZ 3.86Å; M226-F255 HydrophobicContact SD-CE2 4.43Å; M226-F255 HydrophobicContact SD-CZ 3.6Å; I252-F255 HydrophobicContact CG2-CD1 4.07Å; I252-F255 HydrophobicContact CG2-CE1 3.78Å; D253-F255 VanDerWaalsContact O-CD1 3.3Å; D253-F255 WeakPolarHBondContact O-CD1 3.49Å; D253-F255 PolarHBondContact O-N 3.43Å; F255-F257 HydrophobicContact CD2-CE2 4.45Å; F255-F257 HydrophobicContact CE2-CD2 4.35Å; F255-F257 AromaticContact CE2-CE2 3.68Å; F255-F257 HydrophobicContact CE2-CE2 3.68Å; F255-F257 AromaticContact CE2-CZ 3.78Å; F255-F257 HydrophobicContact CE2-CZ 3.78Å; F255-N300 WeakPolarHBondContact CD2-ND2 3.42Å; F255-S301 WeakPolarHBondContact CB-O 3.39Å; F255-A302 HydrophobicContact CB-CB 4.36Å; F255-A302 HydrophobicContact CD1-CB 3.75Å; F255-A302 HydrophobicContact CE1-CB 4.29Å; F255-A302 HydrophobicContact CG-CB 4.08Å
256	T	89.3	Confident	86	Confident	64 Å²	64	43.1 Å²	43.1	39%	0.393	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.2	-178.4	60.4	0	0	0	0	110.8	A74 N300	A74-T256 CarbonylContact O-C 3.57Å; A74-T256 WeakPolarHBondContact O-CA 3.34Å; T256-N300 PolarHBondContact O-ND2 2.97Å
257	F	89.8	Confident	87	Confident	35 Å²	35	40.9 Å²	40.9	15%	0.154	21%	0.212	C	C	.	.			trans	-75.8	121.6	166.9	-67.3	-80.9	0	0	0	109.2	T73 A74 I225 M226 F255 I299 N300	T73-F257 HydrophobicContact CG2-CD2 4.2Å; T73-F257 HydrophobicContact CG2-CE2 3.8Å; T73-F257 VanDerWaalsContact O-CD2 3.24Å; T73-F257 WeakPolarHBondContact O-CD2 3.45Å; A74-F257 PolarHBondContact O-N 3.32Å; I225-F257 HydrophobicContact CB-CE1 4.37Å; I225-F257 HydrophobicContact CD1-CE1 4.35Å; I225-F257 HydrophobicContact CG2-CE1 4.29Å; M226-F257 HydrophobicContact CG-CZ 4.29Å; F255-F257 HydrophobicContact CD2-CE2 4.45Å; F255-F257 HydrophobicContact CE2-CD2 4.35Å; F255-F257 AromaticContact CE2-CE2 3.68Å; F255-F257 HydrophobicContact CE2-CE2 3.68Å; F255-F257 AromaticContact CE2-CZ 3.78Å; F255-F257 HydrophobicContact CE2-CZ 3.78Å; F257-I299 HydrophobicContact CD1-CG2 4.1Å; F257-N300 HydrophobicContact CD1-CB 3.96Å; F257-N300 HydrophobicContact CE1-CB 4.2Å
258	R	86.3	Confident	87.8	Confident	178 Å²	178	41.1 Å²	41.1	67%	0.672	21%	0.212	S	C	*	.			trans	-90.9	-26.3	-175	-65.6	-175.8	175.2	-165.2	1	113.1	H298 I299	R258-H298 PolarHBondContact NH1-ND1 2.85Å; R258-I299 PolarHBondContact N-O 3.3Å
259	G	80.7	Confident	88.3	Confident	25 Å²	25	40 Å²	40	26%	0.258	21%	0.206	S	C	.	.	S	Bend	trans	-149.6	156.5	-176.7	0	0	0	0	0	112.2
260	P	82.6	Confident	88.6	Confident	81 Å²	81	43.7 Å²	43.7	53%	0.526	22%	0.218	S	C	.	.			trans	-74.1	151.3	174.4	32.2	-34.5	0	0	0	111.1	I299	P260-I299 WeakPolarHBondContact O-CD1 3.42Å
261	S	85.7	Confident	88.8	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.042	20%	0.2	C	C	.	.			trans	-120.7	140.1	170.7	173.8	0	0	0	0	108.2	N219 T220 D265	N219-S261 WeakPolarHBondContact CA-O 2.97Å; T220-S261 PolarHBondContact N-O 3.46Å; T220-S261 VanDerWaalsContact OG1-C 3.29Å; T220-S261 WeakPolarHBondContact OG1-CB 3.14Å; T220-S261 PolarHBondContact OG1-O 2.93Å; T220-S261 PolarHBondContact OG1-OG 2.9Å; S261-D265 WeakPolarHBondContact CA-OD2 3.41Å
262	Q	86.3	Confident	88.8	Confident	86 Å²	86	39.3 Å²	39.3	40%	0.402	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-121.3	161.5	-176.4	-68.1	-179.6	-3.6	0	0	111.9	V218 G264 D265	V218-Q262 HydrophobicContact CG1-CB 4.47Å; V218-Q262 CarbonylContact O-C 3.57Å; V218-Q262 WeakPolarHBondContact O-CA 3.35Å; Q262-G264 PolarHBondContact O-N 3.14Å; Q262-D265 PolarHBondContact N-OD2 3.09Å; Q262-D265 VanDerWaalsContact O-CB 3.25Å; Q262-D265 WeakPolarHBondContact O-CB 3.27Å; Q262-D265 PolarHBondContact O-N 3.43Å; Q262-D265 VanDerWaalsContact O-N 3.09Å
263	V	87.6	Confident	88.7	Confident	46 Å²	46	39.4 Å²	39.4	28%	0.279	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.5	171.6	-174.7	0	0	0	0	110	V209 P211 A214 V218	V209-V263 HydrophobicContact CG1-CG2 4.46Å; V209-V263 WeakPolarHBondContact O-CG1 3.36Å; P211-V263 HydrophobicContact CG-CG1 4.17Å; A214-V263 HydrophobicContact CB-CG2 3.29Å; V218-V263 HydrophobicContact CB-CG2 4.29Å; V218-V263 HydrophobicContact CG1-CB 3.59Å; V218-V263 HydrophobicContact CG1-CG2 3.6Å; V218-V263 PolarHBondContact O-N 2.9Å
264	G	86.8	Confident	88.6	Confident	43 Å²	43	39.5 Å²	39.5	44%	0.443	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-13.8	-173.9	0	0	0	0	0	114	V209 Q262	V209-G264 PolarHBondContact O-N 2.93Å; Q262-G264 PolarHBondContact O-N 3.14Å
265	D	89.1	Confident	88.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.			trans	-66.5	142.2	171.6	-72.3	-17.5	0	0	0	110.7	V209 S261 Q262 A289 Q291 R297	V209-D265 WeakPolarHBondContact CB-O 3.41Å; V209-D265 HydrophobicContact CG2-CB 4.19Å; V209-D265 WeakPolarHBondContact CG2-O 3.3Å; V209-D265 PolarHBondContact N-O 3.24Å; S261-D265 WeakPolarHBondContact CA-OD2 3.41Å; Q262-D265 PolarHBondContact N-OD2 3.09Å; Q262-D265 VanDerWaalsContact O-CB 3.25Å; Q262-D265 WeakPolarHBondContact O-CB 3.27Å; Q262-D265 PolarHBondContact O-N 3.43Å; Q262-D265 VanDerWaalsContact O-N 3.09Å; D265-A289 HydrophobicContact CB-CB 4.36Å; D265-Q291 WeakPolarHBondContact OD1-CG 3.29Å; D265-Q291 PolarHBondContact OD1-NE2 3.37Å; D265-R297 IonicContact OD1-NH2 3.83Å; D265-R297 PolarHBondContact OD1-NH2 3.46Å; D265-R297 IonicContact OD2-CZ 3.22Å; D265-R297 IonicContact OD2-NH2 3.57Å; D265-R297 PolarHBondContact OD2-NH2 2.99Å
266	R	90.8	Very high	87.9	Confident	95 Å²	95	39.3 Å²	39.3	36%	0.358	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.3	168.1	-61.1	179.3	-172	-168.2	5.9	107.9	V206 L208 A289 Y290 E292	V206-R266 HydrophobicContact CG1-CB 4.27Å; L208-R266 HydrophobicContact CD1-CG 4.05Å; R266-A289 WeakPolarHBondContact O-CA 3.47Å; R266-Y290 HydrophobicContact CB-CD1 4.15Å; R266-Y290 HydrophobicContact CB-CD2 4.33Å; R266-Y290 HydrophobicContact CB-CE1 3.65Å; R266-Y290 HydrophobicContact CB-CE2 3.88Å; R266-Y290 HydrophobicContact CB-CG 4.45Å; R266-Y290 HydrophobicContact CG-CE2 4.37Å; R266-Y290 PolarHBondContact N-O 3.38Å; R266-Y290 WeakPolarHBondContact O-CD1 3.23Å; R266-Y290 WeakPolarHBondContact O-CE1 3.45Å; R266-Y290 PolarHBondContact O-N 3.05Å; R266-E292 IonicContact CZ-OE1 3.88Å; R266-E292 IonicContact NH2-OE1 3.3Å; R266-E292 PolarHBondContact NH2-OE1 2.96Å
267	L	91.8	Very high	87.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.5	178.5	-73.9	167.6	0	0	0	109.6	V206 E207 V209 I225 W228 E288 A289 I299	V206-L267 WeakPolarHBondContact CA-O 3.49Å; E207-L267 PolarHBondContact N-O 2.6Å; E207-L267 PolarHBondContact O-N 3.48Å; V209-L267 HydrophobicContact CG2-CD1 3.58Å; V209-L267 HydrophobicContact CG2-CG 3.98Å; I225-L267 HydrophobicContact CD1-CD1 4.46Å; I225-L267 HydrophobicContact CG1-CD1 4.11Å; W228-L267 HydrophobicContact CE3-CD1 3.92Å; W228-L267 HydrophobicContact CZ3-CD1 3.5Å; L267-E288 CarbonylContact C-O 3.48Å; L267-E288 WeakPolarHBondContact CA-O 3.47Å; L267-A289 HydrophobicContact CD2-CB 3.74Å; L267-I299 HydrophobicContact CD2-CG1 4.05Å
268	L	93.2	Very high	86.5	Confident	18 Å²	18	40.1 Å²	40.1	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.7	169.5	178.1	63.8	0	0	0	109.4	V206 R270 E288 Y290	V206-L268 HydrophobicContact CG2-CD1 3.68Å; L268-R270 HydrophobicContact CD1-CG 4.48Å; L268-R270 HydrophobicContact CG-CG 4.23Å; L268-E288 HydrophobicContact CB-CB 4.48Å; L268-E288 PolarHBondContact N-O 2.82Å; L268-E288 PolarHBondContact O-N 2.76Å; L268-Y290 HydrophobicContact CB-CD1 4.24Å; L268-Y290 HydrophobicContact CB-CE1 3.94Å
269	L	94.3	Very high	85.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.6	178.7	-61.5	167.4	0	0	0	108.4	E204 S205 E207 W228 M229 V232 R286 A287	E204-L269 CarbonylContact C-O 3.57Å; E204-L269 VanDerWaalsContact CA-O 3.31Å; E204-L269 WeakPolarHBondContact CA-O 3.34Å; S205-L269 PolarHBondContact N-O 3.14Å; S205-L269 PolarHBondContact O-N 3.09Å; E207-L269 HydrophobicContact CG-CD1 4.16Å; W228-L269 HydrophobicContact CB-CD1 3.46Å; W228-L269 VanDerWaalsContact CB-CD1 3.46Å; W228-L269 HydrophobicContact CG-CD1 4.46Å; M229-L269 HydrophobicContact CG-CD2 3.81Å; V232-L269 HydrophobicContact CB-CB 4.47Å; V232-L269 HydrophobicContact CG1-CB 4.46Å; V232-L269 HydrophobicContact CG2-CB 3.92Å; V232-L269 HydrophobicContact CG2-CD1 3.89Å; L269-R286 WeakPolarHBondContact CA-O 3.46Å; L269-A287 HydrophobicContact CD2-CB 3.61Å
270	R	93.4	Very high	86	Confident	95 Å²	95	33.5 Å²	33.5	36%	0.358	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.9	175.8	-65.6	-177.4	166.9	151.1	1.8	109.3	E204 L268 V285 R286	E204-R270 HydrophobicContact CG-CG 4.06Å; E204-R270 WeakPolarHBondContact OE1-CD 3.16Å; E204-R270 IonicContact OE1-CZ 2.74Å; E204-R270 IonicContact OE1-NE 3.55Å; E204-R270 PolarHBondContact OE1-NE 2.81Å; E204-R270 IonicContact OE2-NE 2.78Å; L268-R270 HydrophobicContact CD1-CG 4.48Å; L268-R270 HydrophobicContact CG-CG 4.23Å; R270-V285 CarbonylContact O-C 3.48Å; R270-V285 WeakPolarHBondContact O-CA 3.17Å; R270-R286 PolarHBondContact N-O 3.41Å; R270-R286 PolarHBondContact O-N 2.83Å
271	A	92.3	Very high	86.1	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.5	175.2	0	0	0	0	0	111.3	R202 V203 V232 A236 V283 G284 V285	R202-A271 WeakPolarHBondContact CA-O 3.43Å; V203-A271 PolarHBondContact N-O 3.37Å; V203-A271 PolarHBondContact O-N 2.78Å; V232-A271 HydrophobicContact CB-CB 4.45Å; V232-A271 HydrophobicContact CG1-CB 3.6Å; A236-A271 HydrophobicContact CB-CB 3.71Å; A271-V283 HydrophobicContact CB-CG1 4.07Å; A271-G284 VanDerWaalsContact CA-O 3.29Å; A271-G284 WeakPolarHBondContact CA-O 3.48Å; A271-V285 HydrophobicContact CB-CG2 3.87Å
272	I	89.6	Confident	86.3	Confident	17 Å²	17	29.6 Å²	29.6	9%	0.087	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	146.1	173.9	-169.2	169.8	0	0	0	109.6	A198 N274 V283 G284 E324	A198-I272 HydrophobicContact CB-CD1 4.29Å; I272-N274 PolarHBondContact O-N 3.05Å; I272-V283 WeakPolarHBondContact O-CA 2.94Å; I272-V283 WeakPolarHBondContact O-CG1 3.41Å; I272-G284 PolarHBondContact N-O 3.47Å; I272-G284 PolarHBondContact O-N 3.32Å; I272-E324 VanDerWaalsContact CD1-OE1 3.28Å; I272-E324 WeakPolarHBondContact CD1-OE1 3.21Å
273	V	88.5	Confident	86.6	Confident	5 Å²	5	25.5 Å²	25.5	3%	0.03	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119	173.7	-169.3	0	0	0	0	109	T201 L281 E282 V283 I321	T201-V273 HydrophobicContact CG2-CB 4.45Å; T201-V273 HydrophobicContact CG2-CG2 3.94Å; T201-V273 WeakPolarHBondContact OG1-CG2 3.34Å; T201-V273 PolarHBondContact OG1-N 3.33Å; V273-L281 HydrophobicContact CG1-CB 4.2Å; V273-L281 HydrophobicContact CG1-CD1 4.43Å; V273-E282 CarbonylContact C-O 3.56Å; V273-E282 WeakPolarHBondContact CG1-O 3.49Å; V273-V283 HydrophobicContact CG2-CG2 4.15Å; V273-I321 HydrophobicContact CB-CD1 3.72Å; V273-I321 HydrophobicContact CG1-CD1 3.15Å
274	N	86.6	Confident	86.8	Confident	9 Å²	9	23.7 Å²	23.7	5%	0.048	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-43.6	-179	-66.2	-27.8	0	0	0	111.5	I272 E282 G284 R331 A335 R338	I272-N274 PolarHBondContact O-N 3.05Å; N274-E282 PolarHBondContact N-O 2.93Å; N274-E282 PolarHBondContact ND2-OE1 3.33Å; N274-G284 PolarHBondContact ND2-N 3.02Å; N274-R331 HydrophobicContact CB-CB 4.31Å; N274-A335 HydrophobicContact CB-CB 3.97Å; N274-R338 PolarHBondContact ND2-NH2 2.93Å
275	N	83.6	Confident	87.1	Confident	9 Å²	9	21.8 Å²	21.8	5%	0.048	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	147.1	-178.8	-162.1	-10	0	0	0	110.6	F277 E282 F332 A335 T336	N275-F277 HydrophobicContact CB-CZ 4.45Å; N275-E282 PolarHBondContact O-N 2.96Å; N275-F332 HydrophobicContact CB-CD2 4.03Å; N275-F332 HydrophobicContact CB-CE2 4.29Å; N275-F332 WeakPolarHBondContact ND2-CE2 3.35Å; N275-F332 WeakPolarHBondContact OD1-CE2 3.34Å; N275-A335 HydrophobicContact CB-CB 3.63Å; N275-T336 PolarHBondContact ND2-OG1 3.19Å
276	A	78.9	Confident	87.3	Confident	13 Å²	13	27.5 Å²	27.5	11%	0.107	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.9	169.2	0	0	0	0	0	109	L318 I321	A276-L318 HydrophobicContact CB-CB 4.44Å; A276-I321 HydrophobicContact CB-CB 4.42Å; A276-I321 HydrophobicContact CB-CD1 3.59Å; A276-I321 HydrophobicContact CB-CG1 3.7Å
277	F	75.9	Confident	87.4	Confident	21 Å²	21	23 Å²	23	9%	0.092	11%	0.107	C	C	.	.			trans	-82.3	178.9	165	-51.1	-69.8	0	0	0	109.6	N275 N279 S280 E282 K339	N275-F277 HydrophobicContact CB-CZ 4.45Å; F277-N279 VanDerWaalsContact C-N 3.33Å; F277-N279 PolarHBondContact O-N 2.83Å; F277-S280 CarbonylContact C-O 3.59Å; F277-S280 WeakPolarHBondContact CA-O 3.49Å; F277-S280 WeakPolarHBondContact CB-O 3.27Å; F277-S280 WeakPolarHBondContact CD2-OG 3.36Å; F277-S280 PolarHBondContact N-O 2.78Å; F277-E282 HydrophobicContact CE2-CB 4.4Å; F277-K339 HydrophobicContact CD1-CD 3.67Å; F277-K339 HydrophobicContact CD2-CD 4.26Å; F277-K339 HydrophobicContact CE1-CB 4.38Å; F277-K339 HydrophobicContact CE1-CD 3.29Å; F277-K339 HydrophobicContact CE1-CG 4.46Å; F277-K339 HydrophobicContact CE2-CD 3.93Å; F277-K339 HydrophobicContact CG-CD 4.14Å; F277-K339 HydrophobicContact CZ-CB 3.87Å; F277-K339 HydrophobicContact CZ-CD 3.44Å; F277-K339 VanDerWaalsContact CZ-CD 3.44Å; F277-K339 HydrophobicContact CZ-CG 4.24Å
278	K	71.9	Confident	87.5	Confident	94 Å²	94	23.5 Å²	23.5	41%	0.409	11%	0.11	S	C	.	.	S	Bend	trans	-51.8	-48.8	-174.8	-159.6	180	-171.5	178.9	0	113.2	T317 L318 L389	K278-T317 HydrophobicContact CG-CG2 4.13Å; K278-T317 CarbonylContact O-C 3.51Å; K278-T317 VanDerWaalsContact O-CA 3.28Å; K278-T317 WeakPolarHBondContact O-CA 3.43Å; K278-L318 PolarHBondContact O-N 2.82Å; K278-L389 WeakPolarHBondContact CD-O 3.36Å; K278-L389 PolarHBondContact NZ-O 3.29Å
279	N	75.7	Confident	87.4	Confident	34 Å²	34	22.7 Å²	22.7	18%	0.182	11%	0.106	C	C	.	.	S	Bend	trans	-123.4	-3.3	-175.5	-59.7	2.1	0	0	0	113.1	F277 V308 P315	F277-N279 VanDerWaalsContact C-N 3.33Å; F277-N279 PolarHBondContact O-N 2.83Å; N279-V308 PolarHBondContact O-N 3.41Å; N279-P315 HydrophobicContact CB-CB 3.88Å; N279-P315 VanDerWaalsContact ND2-CB 3.34Å; N279-P315 WeakPolarHBondContact ND2-CB 3.26Å; N279-P315 WeakPolarHBondContact ND2-CG 3.4Å
280	S	80.9	Confident	87.1	Confident	30 Å²	30	25.3 Å²	25.3	21%	0.21	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.7	-174.1	63.6	0	0	0	0	110.8	F277 F306	F277-S280 CarbonylContact C-O 3.59Å; F277-S280 WeakPolarHBondContact CA-O 3.49Å; F277-S280 WeakPolarHBondContact CB-O 3.27Å; F277-S280 WeakPolarHBondContact CD2-OG 3.36Å; F277-S280 PolarHBondContact N-O 2.78Å; S280-F306 CarbonylContact C-O 3.52Å; S280-F306 WeakPolarHBondContact CA-O 3.33Å; S280-F306 VanDerWaalsContact CB-O 3.27Å; S280-F306 WeakPolarHBondContact CB-O 3.34Å
281	L	86.4	Confident	86.6	Confident	5 Å²	5	25 Å²	25	3%	0.026	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.8	178.9	62.8	93.3	0	0	0	109	A237 V273 V283 T305 F306 V308 L318	A237-L281 HydrophobicContact CB-CD1 3.67Å; A237-L281 HydrophobicContact CB-CD2 4.42Å; V273-L281 HydrophobicContact CG1-CB 4.2Å; V273-L281 HydrophobicContact CG1-CD1 4.43Å; L281-V283 HydrophobicContact CD1-CG2 3.27Å; L281-T305 CarbonylContact O-C 3.59Å; L281-T305 WeakPolarHBondContact O-CA 3.06Å; L281-F306 HydrophobicContact CD1-CB 3.78Å; L281-F306 HydrophobicContact CD1-CD2 3.77Å; L281-F306 HydrophobicContact CD1-CG 4.1Å; L281-F306 HydrophobicContact CD2-CB 4.33Å; L281-F306 HydrophobicContact CG-CB 3.83Å; L281-F306 PolarHBondContact N-O 3.25Å; L281-F306 PolarHBondContact O-N 3.22Å; L281-V308 HydrophobicContact CD2-CG2 3.69Å; L281-L318 HydrophobicContact CB-CD1 3.96Å; L281-L318 HydrophobicContact CD2-CD1 4.04Å; L281-L318 HydrophobicContact CG-CD1 4.45Å
282	E	89.9	Confident	85.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122	172.8	-166.1	-161.9	85.3	0	0	109.5	V273 N274 N275 F277 F303 M304 A335 R338 R342	V273-E282 CarbonylContact C-O 3.56Å; V273-E282 WeakPolarHBondContact CG1-O 3.49Å; N274-E282 PolarHBondContact N-O 2.93Å; N274-E282 PolarHBondContact ND2-OE1 3.33Å; N275-E282 PolarHBondContact O-N 2.96Å; F277-E282 HydrophobicContact CE2-CB 4.4Å; E282-F303 HydrophobicContact CG-CB 4.42Å; E282-M304 CarbonylContact C-O 3.49Å; E282-M304 WeakPolarHBondContact CA-O 3.41Å; E282-A335 WeakPolarHBondContact OE1-CA 3.31Å; E282-A335 WeakPolarHBondContact OE1-CB 3.27Å; E282-A335 WeakPolarHBondContact OE2-CA 3.47Å; E282-R338 IonicContact OE1-CZ 2.78Å; E282-R338 VanDerWaalsContact OE1-CZ 3.29Å; E282-R338 IonicContact OE1-NE 3.89Å; E282-R338 PolarHBondContact OE1-NE 3.22Å; E282-R338 VanDerWaalsContact OE1-NE 3.14Å; E282-R338 IonicContact OE1-NH2 3.29Å; E282-R338 PolarHBondContact OE1-NH2 2.77Å; E282-R338 IonicContact OE2-CZ 3.69Å; E282-R338 IonicContact OE2-NE 3.29Å; E282-R338 PolarHBondContact OE2-NE 3.31Å; E282-R338 IonicContact OE2-NH2 3.91Å; E282-R342 IonicContact OE2-NH2 2.6Å
283	V	91	Very high	84.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.7	173.5	-170.8	0	0	0	0	109.3	A233 A236 A237 A271 I272 V273 L281 V285 F303 M304 F306	A233-V283 HydrophobicContact CB-CB 4.49Å; A233-V283 HydrophobicContact CB-CG1 4.22Å; A236-V283 HydrophobicContact CB-CG1 3.99Å; A237-V283 HydrophobicContact CB-CG2 3.88Å; A271-V283 HydrophobicContact CB-CG1 4.07Å; I272-V283 WeakPolarHBondContact O-CA 2.94Å; I272-V283 WeakPolarHBondContact O-CG1 3.41Å; V273-V283 HydrophobicContact CG2-CG2 4.15Å; L281-V283 HydrophobicContact CD1-CG2 3.27Å; V283-V285 HydrophobicContact CG1-CG2 4.32Å; V283-F303 WeakPolarHBondContact O-CA 3.49Å; V283-M304 PolarHBondContact N-O 3.36Å; V283-M304 PolarHBondContact O-N 2.78Å; V283-F306 HydrophobicContact CB-CD2 4.47Å; V283-F306 HydrophobicContact CB-CE2 4.12Å; V283-F306 HydrophobicContact CG2-CD2 3.8Å; V283-F306 HydrophobicContact CG2-CE2 3.79Å
284	G	92.2	Very high	83.2	Confident	8 Å²	8	42.5 Å²	42.5	8%	0.082	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.9	167.2	0	0	0	0	0	109.9	A271 I272 N274	A271-G284 VanDerWaalsContact CA-O 3.29Å; A271-G284 WeakPolarHBondContact CA-O 3.48Å; I272-G284 PolarHBondContact N-O 3.47Å; I272-G284 PolarHBondContact O-N 3.32Å; N274-G284 PolarHBondContact ND2-N 3.02Å
285	V	93.8	Very high	82.8	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.5	172	-172.2	0	0	0	0	109.5	M229 A233 R270 A271 V283 S301 A302	M229-V285 HydrophobicContact CB-CG1 4.06Å; M229-V285 HydrophobicContact CE-CB 3.76Å; M229-V285 HydrophobicContact CE-CG1 3.82Å; M229-V285 HydrophobicContact CG-CG1 3.95Å; A233-V285 HydrophobicContact CB-CG2 3.63Å; R270-V285 CarbonylContact O-C 3.48Å; R270-V285 WeakPolarHBondContact O-CA 3.17Å; A271-V285 HydrophobicContact CB-CG2 3.87Å; V283-V285 HydrophobicContact CG1-CG2 4.32Å; V285-S301 CarbonylContact O-C 3.53Å; V285-S301 VanDerWaalsContact O-CA 3.25Å; V285-S301 WeakPolarHBondContact O-CA 3.5Å; V285-A302 PolarHBondContact N-O 3.09Å; V285-A302 PolarHBondContact O-N 3.12Å
286	R	93.2	Very high	82.8	Confident	119 Å²	119	51.4 Å²	51.4	45%	0.449	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.2	174.6	-179.8	173.2	172.2	171.9	-1.6	109.7	L269 R270 E288	L269-R286 WeakPolarHBondContact CA-O 3.46Å; R270-R286 PolarHBondContact N-O 3.41Å; R270-R286 PolarHBondContact O-N 2.83Å; R286-E288 HydrophobicContact CG-CG 4.29Å; R286-E288 IonicContact CZ-OE1 3.51Å; R286-E288 IonicContact NE-OE1 3.44Å; R286-E288 PolarHBondContact NE-OE1 2.79Å; R286-E288 IonicContact NH2-OE1 3.61Å; R286-E288 PolarHBondContact NH2-OE1 2.86Å
287	A	93.3	Very high	83.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.2	177.3	0	0	0	0	0	110.7	I225 M229 L269 H298 I299 N300	I225-A287 HydrophobicContact CG2-CB 4.49Å; M229-A287 HydrophobicContact SD-CB 4.34Å; L269-A287 HydrophobicContact CD2-CB 3.61Å; A287-H298 PolarHBondContact O-CD2 3.04Å; A287-I299 PolarHBondContact O-N 2.91Å; A287-N300 PolarHBondContact N-O 2.85Å; A287-N300 PolarHBondContact O-N 2.87Å
288	E	92.7	Very high	84	Confident	12 Å²	12	56.1 Å²	56.1	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.9	175.5	-59.1	-171.1	159.8	0	0	110.3	L267 L268 R286 N296 R297	L267-E288 CarbonylContact C-O 3.48Å; L267-E288 WeakPolarHBondContact CA-O 3.47Å; L268-E288 HydrophobicContact CB-CB 4.48Å; L268-E288 PolarHBondContact N-O 2.82Å; L268-E288 PolarHBondContact O-N 2.76Å; R286-E288 HydrophobicContact CG-CG 4.29Å; R286-E288 IonicContact CZ-OE1 3.51Å; R286-E288 IonicContact NE-OE1 3.44Å; R286-E288 PolarHBondContact NE-OE1 2.79Å; R286-E288 IonicContact NH2-OE1 3.61Å; R286-E288 PolarHBondContact NH2-OE1 2.86Å; E288-N296 PolarHBondContact OE2-ND2 3.19Å; E288-R297 CarbonylContact C-O 3.49Å; E288-R297 VanDerWaalsContact CA-O 3.31Å; E288-R297 WeakPolarHBondContact CA-O 3.32Å
289	A	91.1	Very high	84.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.6	170.8	0	0	0	0	0	109.5	D265 R266 L267 R297 I299	D265-A289 HydrophobicContact CB-CB 4.36Å; R266-A289 WeakPolarHBondContact O-CA 3.47Å; L267-A289 HydrophobicContact CD2-CB 3.74Å; A289-R297 PolarHBondContact N-O 2.86Å; A289-R297 PolarHBondContact O-N 2.72Å; A289-I299 HydrophobicContact CB-CD1 3.71Å; A289-I299 HydrophobicContact CB-CG1 3.6Å
290	Y	88.2	Confident	85.7	Confident	56 Å²	56	50.1 Å²	50.1	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.7	169.9	68	-81.3	0	0	0	110.4	R266 L268	R266-Y290 HydrophobicContact CB-CD1 4.15Å; R266-Y290 HydrophobicContact CB-CD2 4.33Å; R266-Y290 HydrophobicContact CB-CE1 3.65Å; R266-Y290 HydrophobicContact CB-CE2 3.88Å; R266-Y290 HydrophobicContact CB-CG 4.45Å; R266-Y290 HydrophobicContact CG-CE2 4.37Å; R266-Y290 PolarHBondContact N-O 3.38Å; R266-Y290 WeakPolarHBondContact O-CD1 3.23Å; R266-Y290 WeakPolarHBondContact O-CE1 3.45Å; R266-Y290 PolarHBondContact O-N 3.05Å; L268-Y290 HydrophobicContact CB-CD1 4.24Å; L268-Y290 HydrophobicContact CB-CE1 3.94Å
291	Q	84	Confident	86.2	Confident	87 Å²	87	50.3 Å²	50.3	41%	0.407	25%	0.254	S	S	.	.			trans	-107.6	166.7	169.7	-69.4	-178.3	-9.2	0	0	108.2	D265 E293	D265-Q291 WeakPolarHBondContact OD1-CG 3.29Å; D265-Q291 PolarHBondContact OD1-NE2 3.37Å; Q291-E293 PolarHBondContact O-N 2.58Å; Q291-E293 VanDerWaalsContact O-N 3.15Å
292	E	70.8	Confident	86.4	Confident	162 Å²	162	50.1 Å²	50.1	76%	0.757	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.8	-177.9	-65.1	-170.9	163.6	0	0	112.8	R266	R266-E292 IonicContact CZ-OE1 3.88Å; R266-E292 IonicContact NH2-OE1 3.3Å; R266-E292 PolarHBondContact NH2-OE1 2.96Å
293	E	62.2	Low	86.6	Confident	191 Å²	191	52.4 Å²	52.4	89%	0.893	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	79.3	176.3	-65	-174.9	169.2	0	0	110.9	Q291	Q291-E293 PolarHBondContact O-N 2.58Å; Q291-E293 VanDerWaalsContact O-N 3.15Å
294	G	65.6	Low	86.6	Confident	39 Å²	39	52.6 Å²	52.6	40%	0.402	26%	0.264	S	S	.	.	S	Bend	trans	-175.9	159.9	173.7	0	0	0	0	0	114.7
295	P	78.1	Confident	86.5	Confident	114 Å²	114	52.8 Å²	52.8	74%	0.74	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-68.3	146.8	174.5	29.5	-34.3	0	0	0	111.1	R297	P295-R297 PolarHBondContact O-N 3.45Å
296	N	84.2	Confident	86.2	Confident	90 Å²	90	52.6 Å²	52.6	48%	0.481	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-59.6	123.6	175.3	-68.4	18.2	0	0	0	110.7	E288	E288-N296 PolarHBondContact OE2-ND2 3.19Å
297	R	88.7	Confident	85.8	Confident	88 Å²	88	49.1 Å²	49.1	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.3	176.1	-65.9	176.3	-68	164.1	3.7	109.1	D265 E288 A289 P295 I299	D265-R297 IonicContact OD1-NH2 3.83Å; D265-R297 PolarHBondContact OD1-NH2 3.46Å; D265-R297 IonicContact OD2-CZ 3.22Å; D265-R297 IonicContact OD2-NH2 3.57Å; D265-R297 PolarHBondContact OD2-NH2 2.99Å; E288-R297 CarbonylContact C-O 3.49Å; E288-R297 VanDerWaalsContact CA-O 3.31Å; E288-R297 WeakPolarHBondContact CA-O 3.32Å; A289-R297 PolarHBondContact N-O 2.86Å; A289-R297 PolarHBondContact O-N 2.72Å; P295-R297 PolarHBondContact O-N 3.45Å; R297-I299 PolarHBondContact O-N 3.18Å; R297-I299 VanDerWaalsContact O-N 3.16Å
298	H	90.9	Very high	85.1	Confident	45 Å²	45	49.3 Å²	49.3	21%	0.208	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	108.7	173.9	178.6	-166.4	0	0	0	109.7	R258 A287 N300 S301	R258-H298 PolarHBondContact NH1-ND1 2.85Å; A287-H298 PolarHBondContact O-CD2 3.04Å; H298-N300 PolarHBondContact CD2-O 3.14Å; H298-N300 PolarHBondContact NE2-O 3.11Å; H298-S301 PolarHBondContact CE1-OG 2.93Å; H298-S301 PolarHBondContact NE2-N 2.86Å; H298-S301 PolarHBondContact NE2-OG 3.06Å
299	I	90.3	Very high	84.2	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-53.3	-178.6	-59.9	-58.1	0	0	0	110.3	I225 F257 R258 P260 L267 A287 A289 R297	I225-I299 HydrophobicContact CD1-CG2 4.08Å; F257-I299 HydrophobicContact CD1-CG2 4.1Å; R258-I299 PolarHBondContact N-O 3.3Å; P260-I299 WeakPolarHBondContact O-CD1 3.42Å; L267-I299 HydrophobicContact CD2-CG1 4.05Å; A287-I299 PolarHBondContact O-N 2.91Å; A289-I299 HydrophobicContact CB-CD1 3.71Å; A289-I299 HydrophobicContact CB-CG1 3.6Å; R297-I299 PolarHBondContact O-N 3.18Å; R297-I299 VanDerWaalsContact O-N 3.16Å
300	N	92.1	Very high	83.1	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	152.7	-176.8	178.1	-102	0	0	0	111.8	M229 F255 T256 F257 A287 H298	M229-N300 WeakPolarHBondContact CE-OD1 3.37Å; F255-N300 WeakPolarHBondContact CD2-ND2 3.42Å; T256-N300 PolarHBondContact O-ND2 2.97Å; F257-N300 HydrophobicContact CD1-CB 3.96Å; F257-N300 HydrophobicContact CE1-CB 4.2Å; A287-N300 PolarHBondContact N-O 2.85Å; A287-N300 PolarHBondContact O-N 2.87Å; H298-N300 PolarHBondContact CD2-O 3.14Å; H298-N300 PolarHBondContact NE2-O 3.11Å
301	S	91.6	Very high	82.1	Confident	34 Å²	34	58.5 Å²	58.5	24%	0.238	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.3	161.3	-67.6	0	0	0	0	108.2	F255 V285 H298	F255-S301 WeakPolarHBondContact CB-O 3.39Å; V285-S301 CarbonylContact O-C 3.53Å; V285-S301 VanDerWaalsContact O-CA 3.25Å; V285-S301 WeakPolarHBondContact O-CA 3.5Å; H298-S301 PolarHBondContact CE1-OG 2.93Å; H298-S301 PolarHBondContact NE2-N 2.86Å; H298-S301 PolarHBondContact NE2-OG 3.06Å
302	A	91.4	Very high	81.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.9	176.5	0	0	0	0	0	110.6	M229 F255 V285 M304	M229-A302 HydrophobicContact CE-CB 3.42Å; M229-A302 VanDerWaalsContact CE-CB 3.42Å; F255-A302 HydrophobicContact CB-CB 4.36Å; F255-A302 HydrophobicContact CD1-CB 3.75Å; F255-A302 HydrophobicContact CE1-CB 4.29Å; F255-A302 HydrophobicContact CG-CB 4.08Å; V285-A302 PolarHBondContact N-O 3.09Å; V285-A302 PolarHBondContact O-N 3.12Å; A302-M304 HydrophobicContact CB-CE 4.42Å
303	F	92.6	Very high	80.8	Confident	49 Å²	49	53.3 Å²	53.3	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.7	177.6	-54.5	-77.8	0	0	0	108.5	D253 E282 V283 R338	D253-F303 HydrophobicContact CB-CB 4.25Å; D253-F303 PolarHBondContact N-O 2.54Å; E282-F303 HydrophobicContact CG-CB 4.42Å; V283-F303 WeakPolarHBondContact O-CA 3.49Å; F303-R338 VanDerWaalsContact CD2-CD 3.44Å; F303-R338 VanDerWaalsContact CE1-NH1 3.3Å
304	M	92.4	Very high	81.1	Confident	3 Å²	3	51 Å²	51	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.4	-172	-65	-174.9	-174.3	0	0	109.3	M229 V230 A233 L249 I252 E282 V283 A302 F306	M229-M304 HydrophobicContact CB-CE 3.87Å; V230-M304 HydrophobicContact CB-CE 4.5Å; V230-M304 HydrophobicContact CB-SD 4.48Å; V230-M304 HydrophobicContact CG2-CE 3.65Å; V230-M304 HydrophobicContact CG2-SD 3.89Å; A233-M304 HydrophobicContact CB-SD 3.46Å; A233-M304 WeakPolarHBondContact CB-SD 3.46Å; L249-M304 HydrophobicContact CD1-CB 3.78Å; L249-M304 HydrophobicContact CD1-CG 4.37Å; I252-M304 HydrophobicContact CG1-CG 4.3Å; I252-M304 HydrophobicContact CG2-CG 4.46Å; E282-M304 CarbonylContact C-O 3.49Å; E282-M304 WeakPolarHBondContact CA-O 3.41Å; V283-M304 PolarHBondContact N-O 3.36Å; V283-M304 PolarHBondContact O-N 2.78Å; A302-M304 HydrophobicContact CB-CE 4.42Å; M304-F306 HydrophobicContact CB-CD2 4.31Å; M304-F306 HydrophobicContact CB-CE2 3.65Å; M304-F306 HydrophobicContact CB-CZ 4.35Å
305	T	90.3	Very high	81.2	Confident	12 Å²	12	51.7 Å²	51.7	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116	177.1	-57.1	0	0	0	0	109.5	R250 A251 L281	R250-T305 PolarHBondContact N-O 3.12Å; A251-T305 PolarHBondContact N-O 3.12Å; A251-T305 PolarHBondContact O-N 2.87Å; L281-T305 CarbonylContact O-C 3.59Å; L281-T305 WeakPolarHBondContact O-CA 3.06Å
306	F	87.5	Confident	80.8	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.6	173.4	-62.4	-102.6	0	0	0	110.2	A233 A237 P247 T248 L249 S280 L281 V283 M304	A233-F306 HydrophobicContact CB-CE2 3.88Å; A233-F306 HydrophobicContact CB-CZ 3.7Å; A237-F306 HydrophobicContact CB-CB 4.43Å; A237-F306 HydrophobicContact CB-CD1 4Å; A237-F306 HydrophobicContact CB-CD2 3.78Å; A237-F306 HydrophobicContact CB-CE1 4.15Å; A237-F306 HydrophobicContact CB-CE2 3.94Å; A237-F306 HydrophobicContact CB-CG 3.81Å; A237-F306 HydrophobicContact CB-CZ 4.12Å; P247-F306 HydrophobicContact CB-CB 4.05Å; P247-F306 HydrophobicContact CB-CD1 3.93Å; P247-F306 HydrophobicContact CB-CG 4.29Å; T248-F306 CarbonylContact O-C 3.57Å; T248-F306 VanDerWaalsContact O-CA 3.24Å; T248-F306 WeakPolarHBondContact O-CA 3.47Å; L249-F306 HydrophobicContact CB-CD1 4.03Å; L249-F306 HydrophobicContact CB-CE1 3.86Å; L249-F306 HydrophobicContact CD1-CD1 4.19Å; L249-F306 HydrophobicContact CD1-CD2 4.19Å; L249-F306 HydrophobicContact CD1-CE1 3.96Å; L249-F306 HydrophobicContact CD1-CE2 3.96Å; L249-F306 HydrophobicContact CD1-CG 4.3Å; L249-F306 HydrophobicContact CD1-CZ 3.84Å; L249-F306 HydrophobicContact CG-CE1 4.43Å; S280-F306 CarbonylContact C-O 3.52Å; S280-F306 WeakPolarHBondContact CA-O 3.33Å; S280-F306 VanDerWaalsContact CB-O 3.27Å; S280-F306 WeakPolarHBondContact CB-O 3.34Å; L281-F306 HydrophobicContact CD1-CB 3.78Å; L281-F306 HydrophobicContact CD1-CD2 3.77Å; L281-F306 HydrophobicContact CD1-CG 4.1Å; L281-F306 HydrophobicContact CD2-CB 4.33Å; L281-F306 HydrophobicContact CG-CB 3.83Å; L281-F306 PolarHBondContact N-O 3.25Å; L281-F306 PolarHBondContact O-N 3.22Å; V283-F306 HydrophobicContact CB-CD2 4.47Å; V283-F306 HydrophobicContact CB-CE2 4.12Å; V283-F306 HydrophobicContact CG2-CD2 3.8Å; V283-F306 HydrophobicContact CG2-CE2 3.79Å; M304-F306 HydrophobicContact CB-CD2 4.31Å; M304-F306 HydrophobicContact CB-CE2 3.65Å; M304-F306 HydrophobicContact CB-CZ 4.35Å
307	E	84.8	Confident	80.2	Confident	46 Å²	46	47.5 Å²	47.5	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.3	168.4	-161.8	168.3	-158.3	0	0	108	T248 L309	T248-E307 PolarHBondContact N-O 3.18Å; T248-E307 PolarHBondContact O-N 3.37Å; T248-E307 PolarHBondContact OG1-O 2.93Å; E307-L309 HydrophobicContact CG-CD2 4.27Å
308	V	77.5	Confident	79.4	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.2	179.8	-179.4	0	0	0	0	107.7	C243 A245 P247 N279 L281 P315 C316 L318	C243-V308 HydrophobicContact CB-CG1 4.47Å; A245-V308 HydrophobicContact CB-CG1 3.43Å; A245-V308 VanDerWaalsContact CB-CG1 3.43Å; P247-V308 HydrophobicContact CB-CG2 4.26Å; N279-V308 PolarHBondContact O-N 3.41Å; L281-V308 HydrophobicContact CD2-CG2 3.69Å; V308-P315 CarbonylContact O-C 3.55Å; V308-P315 WeakPolarHBondContact O-CA 3.42Å; V308-C316 HydrophobicContact CB-CB 4.38Å; V308-C316 HydrophobicContact CG1-CB 3.91Å; V308-C316 PolarHBondContact O-N 2.87Å; V308-L318 HydrophobicContact CB-CD2 3.92Å; V308-L318 HydrophobicContact CG1-CD2 4.21Å; V308-L318 HydrophobicContact CG2-CD1 4.1Å; V308-L318 HydrophobicContact CG2-CD2 3.82Å; V308-L318 HydrophobicContact CG2-CG 4.46Å
309	L	73.3	Confident	78.4	Confident	55 Å²	55	44.5 Å²	44.5	29%	0.288	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.7	178.2	-56.1	176.7	0	0	0	109.1	A245 E307 K314 P315	A245-L309 WeakPolarHBondContact CB-O 3.42Å; E307-L309 HydrophobicContact CG-CD2 4.27Å; L309-K314 CarbonylContact C-O 3.49Å; L309-K314 WeakPolarHBondContact CA-O 3.49Å; L309-P315 HydrophobicContact CD2-CB 4.24Å
310	D	68.3	Low	77.6	Confident	64 Å²	64	54 Å²	54	34%	0.342	30%	0.295	S	S	.	.			trans	-66.3	167.3	168.5	-68.6	-25.8	0	0	0	110.4	S312 G313 K314 C316	D310-S312 PolarHBondContact O-N 2.85Å; D310-G313 WeakPolarHBondContact O-CA 3.49Å; D310-G313 PolarHBondContact O-N 2.94Å; D310-K314 PolarHBondContact N-O 2.97Å; D310-C316 WeakPolarHBondContact OD1-CB 3.36Å; D310-C316 PolarHBondContact OD1-SG 2.93Å
311	D	67.8	Low	76.8	Confident	141 Å²	141	54.7 Å²	54.7	75%	0.754	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.8	179	-64.4	-32.9	0	0	0	113.8	G313	D311-G313 VanDerWaalsContact C-N 3.35Å
312	S	62.8	Low	76.1	Confident	89 Å²	89	59.2 Å²	59.2	62%	0.622	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	4	173.9	65.3	0	0	0	0	114.4	D310 K314	D310-S312 PolarHBondContact O-N 2.85Å; S312-K314 VanDerWaalsContact C-N 3.27Å; S312-K314 PolarHBondContact O-N 2.89Å
313	G	65.1	Low	75.4	Confident	51 Å²	51	60.6 Å²	60.6	53%	0.526	32%	0.32	S	S	.	.	S	Bend	trans	75.4	9.6	-176.7	0	0	0	0	0	114.5	D310 D311	D310-G313 WeakPolarHBondContact O-CA 3.49Å; D310-G313 PolarHBondContact O-N 2.94Å; D311-G313 VanDerWaalsContact C-N 3.35Å
314	K	67	Low	74.5	Confident	143 Å²	143	59.7 Å²	59.7	62%	0.622	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-90.1	143	176.5	-72.2	-177	-178.7	177.1	0	111.1	L309 D310 S312 C316	L309-K314 CarbonylContact C-O 3.49Å; L309-K314 WeakPolarHBondContact CA-O 3.49Å; D310-K314 PolarHBondContact N-O 2.97Å; S312-K314 VanDerWaalsContact C-N 3.27Å; S312-K314 PolarHBondContact O-N 2.89Å; K314-C316 PolarHBondContact O-N 2.88Å
315	P	69.4	Low	73.3	Confident	53 Å²	53	64.9 Å²	64.9	34%	0.344	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-68.1	127.1	179.8	27.8	-33.9	0	0	0	111.6	N279 V308 L309	N279-P315 HydrophobicContact CB-CB 3.88Å; N279-P315 VanDerWaalsContact ND2-CB 3.34Å; N279-P315 WeakPolarHBondContact ND2-CB 3.26Å; N279-P315 WeakPolarHBondContact ND2-CG 3.4Å; V308-P315 CarbonylContact O-C 3.55Å; V308-P315 WeakPolarHBondContact O-CA 3.42Å; L309-P315 HydrophobicContact CD2-CB 4.24Å
316	C	69.6	Low	72.6	Confident	25 Å²	25	72 Å²	72	17%	0.169	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-79.8	138.7	179.7	-163.2	0	0	0	0	110.4	V308 D310 K314 L318	V308-C316 HydrophobicContact CB-CB 4.38Å; V308-C316 HydrophobicContact CG1-CB 3.91Å; V308-C316 PolarHBondContact O-N 2.87Å; D310-C316 WeakPolarHBondContact OD1-CB 3.36Å; D310-C316 PolarHBondContact OD1-SG 2.93Å; K314-C316 PolarHBondContact O-N 2.88Å; C316-L318 PolarHBondContact O-N 2.77Å
317	T	70.8	Confident	72	Confident	92 Å²	92	77.8 Å²	77.8	56%	0.564	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-79	119.5	173.8	-58.4	0	0	0	0	110	K278	K278-T317 HydrophobicContact CG-CG2 4.13Å; K278-T317 CarbonylContact O-C 3.51Å; K278-T317 VanDerWaalsContact O-CA 3.28Å; K278-T317 WeakPolarHBondContact O-CA 3.43Å
318	L	71.9	Confident	71.5	Confident	22 Å²	22	75.9 Å²	75.9	12%	0.115	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-85	144.2	-177.8	-62.1	177.5	0	0	0	112	C243 A276 K278 L281 V308 C316	C243-L318 VanDerWaalsContact SG-CD2 3.52Å; A276-L318 HydrophobicContact CB-CB 4.44Å; K278-L318 PolarHBondContact O-N 2.82Å; L281-L318 HydrophobicContact CB-CD1 3.96Å; L281-L318 HydrophobicContact CD2-CD1 4.04Å; L281-L318 HydrophobicContact CG-CD1 4.45Å; V308-L318 HydrophobicContact CB-CD2 3.92Å; V308-L318 HydrophobicContact CG1-CD2 4.21Å; V308-L318 HydrophobicContact CG2-CD1 4.1Å; V308-L318 HydrophobicContact CG2-CD2 3.82Å; V308-L318 HydrophobicContact CG2-CG 4.46Å; C316-L318 PolarHBondContact O-N 2.77Å
319	P	70.8	Confident	71.5	Confident	47 Å²	47	79.6 Å²	79.6	31%	0.305	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.5	145.7	171	26.6	-30.4	0	0	0	110.5	L242	L242-P319 HydrophobicContact CB-CG 4.01Å; L242-P319 HydrophobicContact CD2-CB 4.24Å; L242-P319 HydrophobicContact CD2-CG 3.36Å; L242-P319 HydrophobicContact CG-CG 4.17Å
320	R	73.3	Confident	71.9	Confident	200 Å²	200	84.8 Å²	84.8	76%	0.755	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-63.8	137.5	175.6	-71.5	-172.6	-179.4	179.3	2.6	110.6	G195 T196	G195-R320 CarbonylContact C-O 3.56Å; G195-R320 WeakPolarHBondContact CA-O 3.44Å; T196-R320 PolarHBondContact N-O 2.86Å; T196-R320 VanDerWaalsContact N-O 3.07Å
321	I	75.3	Confident	72.5	Confident	16 Å²	16	85 Å²	85	8%	0.082	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132	175.9	-68.8	175.3	0	0	0	109.2	T196 A198 V273 A276	T196-I321 WeakPolarHBondContact O-CA 3.36Å; A198-I321 HydrophobicContact CB-CG2 3.71Å; V273-I321 HydrophobicContact CB-CD1 3.72Å; V273-I321 HydrophobicContact CG1-CD1 3.15Å; A276-I321 HydrophobicContact CB-CB 4.42Å; A276-I321 HydrophobicContact CB-CD1 3.59Å; A276-I321 HydrophobicContact CB-CG1 3.7Å
322	R	77	Confident	73	Confident	130 Å²	130	81.1 Å²	81.1	49%	0.491	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.1	170.3	-178.3	172.7	177	174.6	-0.6	108.6	V192 T196 A198	V192-R322 HydrophobicContact CG1-CB 4.47Å; V192-R322 HydrophobicContact CG1-CG 3.81Å; T196-R322 PolarHBondContact O-N 2.81Å; A198-R322 PolarHBondContact N-O 3.26Å; A198-R322 VanDerWaalsContact N-O 3.16Å
323	P	75.2	Confident	73.7	Confident	29 Å²	29	80.4 Å²	80.4	19%	0.188	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-66.1	149.9	178.6	25.4	-31.3	0	0	0	111.4	G328 E329 F332	P323-G328 VanDerWaalsContact CB-C 3.49Å; P323-E329 WeakPolarHBondContact CG-OE2 3.44Å; P323-F332 HydrophobicContact CB-CB 4.18Å
324	E	74.3	Confident	74.4	Confident	30 Å²	30	79.1 Å²	79.1	14%	0.14	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.1	145.6	166.8	-72.4	167.7	-158.2	0	0	110.5	E199 I272 G328 E329	E199-E324 HydrophobicContact CG-CG 3.58Å; E199-E324 WeakPolarHBondContact CG-OE1 3.4Å; I272-E324 VanDerWaalsContact CD1-OE1 3.28Å; I272-E324 WeakPolarHBondContact CD1-OE1 3.21Å; E324-G328 CarbonylContact O-C 3.54Å; E324-G328 WeakPolarHBondContact O-CA 3.41Å; E324-G328 PolarHBondContact O-N 3.38Å; E324-G328 VanDerWaalsContact O-N 3.12Å; E324-E329 PolarHBondContact O-N 3.42Å; E324-E329 VanDerWaalsContact O-N 3.12Å
325	P	68.1	Low	75	Confident	113 Å²	113	72.3 Å²	72.3	73%	0.734	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	144.6	174.4	24.8	-32.4	0	0	0	111.2	E327	P325-E327 PolarHBondContact O-N 2.83Å
326	L	74.9	Confident	75.4	Confident	161 Å²	161	70.2 Å²	70.2	84%	0.843	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-81.3	-177.2	-56.4	166.9	0	0	0	114.6	R330	L326-R330 PolarHBondContact O-N 2.88Å
327	E	74.2	Confident	75.7	Confident	123 Å²	123	69 Å²	69	58%	0.575	33%	0.328	S	S	*	.	H	α-helix	trans	-74.4	-34.6	-173.3	-71.5	-160.8	170.6	0	0	112.6	P325 R330 R331	P325-E327 PolarHBondContact O-N 2.83Å; E327-R330 PolarHBondContact O-N 2.8Å; E327-R331 WeakPolarHBondContact O-CG 2.79Å; E327-R331 PolarHBondContact O-N 3.12Å; E327-R331 IonicContact OE2-CZ 3.35Å; E327-R331 IonicContact OE2-NH2 2.92Å; E327-R331 PolarHBondContact OE2-NH2 2.69Å
328	G	74.6	Confident	76.1	Confident	6 Å²	6	65 Å²	65	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-67.6	-40.3	179.3	0	0	0	0	0	112.4	P323 E324 R330 R331 F332	P323-G328 VanDerWaalsContact CB-C 3.49Å; E324-G328 CarbonylContact O-C 3.54Å; E324-G328 WeakPolarHBondContact O-CA 3.41Å; E324-G328 PolarHBondContact O-N 3.38Å; E324-G328 VanDerWaalsContact O-N 3.12Å; G328-R330 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 3.42Å; G328-R331 PolarHBondContact O-N 2.84Å; G328-F332 WeakPolarHBondContact O-CB 3.36Å; G328-F332 PolarHBondContact O-N 3.39Å
329	E	77.4	Confident	76.3	Confident	82 Å²	82	66.2 Å²	66.2	38%	0.383	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-44.7	176.6	-173.4	59.1	-144.4	0	0	111	P323 E324 R331 F332 Q333	P323-E329 WeakPolarHBondContact CG-OE2 3.44Å; E324-E329 PolarHBondContact O-N 3.42Å; E324-E329 VanDerWaalsContact O-N 3.12Å; E329-R331 PolarHBondContact O-N 3.41Å; E329-F332 WeakPolarHBondContact O-CB 3.46Å; E329-F332 PolarHBondContact O-N 3.39Å; E329-Q333 WeakPolarHBondContact O-CG 3.3Å; E329-Q333 PolarHBondContact O-N 3.15Å; E329-Q333 PolarHBondContact OE1-NE2 3.4Å; E329-Q333 VanDerWaalsContact OE1-NE2 3.14Å
330	R	81.9	Confident	76.5	Confident	163 Å²	163	65 Å²	65	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-58.2	-47.9	173.6	179.7	-176.3	165.2	178	-0.4	111.4	L326 E327 G328 F332 Q333 E334	L326-R330 PolarHBondContact O-N 2.88Å; E327-R330 PolarHBondContact O-N 2.8Å; G328-R330 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 3.42Å; R330-F332 VanDerWaalsContact C-N 3.3Å; R330-F332 PolarHBondContact O-N 3.41Å; R330-Q333 PolarHBondContact O-N 3.05Å; R330-E334 HydrophobicContact CG-CG 4.36Å; R330-E334 IonicContact CZ-OE1 3.54Å; R330-E334 IonicContact NE-OE1 3.79Å; R330-E334 PolarHBondContact NE-OE1 3.47Å; R330-E334 IonicContact NH2-OE1 3.86Å; R330-E334 PolarHBondContact NH2-OE1 3.19Å; R330-E334 WeakPolarHBondContact O-CB 3.44Å; R330-E334 VanDerWaalsContact O-CG 3.29Å; R330-E334 WeakPolarHBondContact O-CG 3.48Å; R330-E334 PolarHBondContact O-N 3.39Å
331	R	80.8	Confident	76.5	Confident	69 Å²	69	55.9 Å²	55.9	26%	0.26	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-37.8	179.1	-70.8	175.1	-159.9	159.3	6.6	112.1	N274 E327 G328 E329 E334 A335	N274-R331 HydrophobicContact CB-CB 4.31Å; E327-R331 WeakPolarHBondContact O-CG 2.79Å; E327-R331 PolarHBondContact O-N 3.12Å; E327-R331 IonicContact OE2-CZ 3.35Å; E327-R331 IonicContact OE2-NH2 2.92Å; E327-R331 PolarHBondContact OE2-NH2 2.69Å; G328-R331 PolarHBondContact O-N 2.84Å; E329-R331 PolarHBondContact O-N 3.41Å; R331-E334 PolarHBondContact O-N 3.01Å; R331-A335 WeakPolarHBondContact O-CB 3.12Å; R331-A335 PolarHBondContact O-N 3Å
332	F	79.3	Confident	76.5	Confident	60 Å²	60	56.8 Å²	56.8	26%	0.263	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-45.8	177	-176.8	-88	0	0	0	111.7	N275 P323 G328 E329 R330 A335 T336	N275-F332 HydrophobicContact CB-CD2 4.03Å; N275-F332 HydrophobicContact CB-CE2 4.29Å; N275-F332 WeakPolarHBondContact ND2-CE2 3.35Å; N275-F332 WeakPolarHBondContact OD1-CE2 3.34Å; P323-F332 HydrophobicContact CB-CB 4.18Å; G328-F332 WeakPolarHBondContact O-CB 3.36Å; G328-F332 PolarHBondContact O-N 3.39Å; E329-F332 WeakPolarHBondContact O-CB 3.46Å; E329-F332 PolarHBondContact O-N 3.39Å; R330-F332 VanDerWaalsContact C-N 3.3Å; R330-F332 PolarHBondContact O-N 3.41Å; F332-A335 PolarHBondContact O-N 2.95Å; F332-T336 PolarHBondContact O-N 2.8Å; F332-T336 VanDerWaalsContact O-N 3.15Å; F332-T336 PolarHBondContact O-OG1 2.9Å
333	Q	76.1	Confident	76.1	Confident	73 Å²	73	51.2 Å²	51.2	34%	0.341	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-44	176	-68.7	175.6	5.6	0	0	111.7	L179 E329 R330 A335 T336 A337	L179-Q333 HydrophobicContact CD2-CB 4.33Å; E329-Q333 WeakPolarHBondContact O-CG 3.3Å; E329-Q333 PolarHBondContact O-N 3.15Å; E329-Q333 PolarHBondContact OE1-NE2 3.4Å; E329-Q333 VanDerWaalsContact OE1-NE2 3.14Å; R330-Q333 PolarHBondContact O-N 3.05Å; Q333-A335 VanDerWaalsContact C-N 3.31Å; Q333-A335 PolarHBondContact O-N 2.94Å; Q333-T336 WeakPolarHBondContact O-CB 3.01Å; Q333-T336 PolarHBondContact O-N 3.26Å; Q333-T336 VanDerWaalsContact O-N 3.11Å; Q333-A337 PolarHBondContact O-N 3.4Å
334	E	80.6	Confident	75.7	Confident	25 Å²	25	50.9 Å²	50.9	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-38.3	175.7	-73.6	-176.3	-178.7	0	0	112.3	L179 R330 R331 T336 A337 R338	L179-E334 HydrophobicContact CD1-CG 3.77Å; L179-E334 HydrophobicContact CD2-CG 3.84Å; L179-E334 HydrophobicContact CG-CG 4.42Å; R330-E334 HydrophobicContact CG-CG 4.36Å; R330-E334 IonicContact CZ-OE1 3.54Å; R330-E334 IonicContact NE-OE1 3.79Å; R330-E334 PolarHBondContact NE-OE1 3.47Å; R330-E334 IonicContact NH2-OE1 3.86Å; R330-E334 PolarHBondContact NH2-OE1 3.19Å; R330-E334 WeakPolarHBondContact O-CB 3.44Å; R330-E334 VanDerWaalsContact O-CG 3.29Å; R330-E334 WeakPolarHBondContact O-CG 3.48Å; R330-E334 PolarHBondContact O-N 3.39Å; R331-E334 PolarHBondContact O-N 3.01Å; E334-T336 VanDerWaalsContact C-N 3.28Å; E334-T336 PolarHBondContact O-N 3.29Å; E334-A337 PolarHBondContact O-N 3.42Å; E334-R338 WeakPolarHBondContact O-CG 3.03Å; E334-R338 PolarHBondContact O-N 2.77Å; E334-R338 IonicContact OE2-NH1 3.28Å
335	A	79.6	Confident	75.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-37.2	175.3	0	0	0	0	0	111.9	N274 N275 E282 R331 F332 Q333 R338 K339	N274-A335 HydrophobicContact CB-CB 3.97Å; N275-A335 HydrophobicContact CB-CB 3.63Å; E282-A335 WeakPolarHBondContact OE1-CA 3.31Å; E282-A335 WeakPolarHBondContact OE1-CB 3.27Å; E282-A335 WeakPolarHBondContact OE2-CA 3.47Å; R331-A335 WeakPolarHBondContact O-CB 3.12Å; R331-A335 PolarHBondContact O-N 3Å; F332-A335 PolarHBondContact O-N 2.95Å; Q333-A335 VanDerWaalsContact C-N 3.31Å; Q333-A335 PolarHBondContact O-N 2.94Å; A335-R338 VanDerWaalsContact CA-NH2 3.3Å; A335-R338 VanDerWaalsContact N-NH2 3.15Å; A335-R338 PolarHBondContact O-N 2.7Å; A335-K339 PolarHBondContact O-N 2.8Å
336	T	76.9	Confident	75.2	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-43.2	176.5	-48.5	0	0	0	0	110.4	N275 F332 Q333 E334 K339 K340 A558 L560	N275-T336 PolarHBondContact ND2-OG1 3.19Å; F332-T336 PolarHBondContact O-N 2.8Å; F332-T336 VanDerWaalsContact O-N 3.15Å; F332-T336 PolarHBondContact O-OG1 2.9Å; Q333-T336 WeakPolarHBondContact O-CB 3.01Å; Q333-T336 PolarHBondContact O-N 3.26Å; Q333-T336 VanDerWaalsContact O-N 3.11Å; E334-T336 VanDerWaalsContact C-N 3.28Å; E334-T336 PolarHBondContact O-N 3.29Å; T336-K339 PolarHBondContact O-N 2.75Å; T336-K340 PolarHBondContact O-N 3.35Å; T336-K340 VanDerWaalsContact O-N 3.1Å; T336-A558 HydrophobicContact CG2-CB 4.15Å; T336-A558 WeakPolarHBondContact CG2-O 3.47Å; T336-L560 HydrophobicContact CG2-CD1 4.41Å; T336-L560 HydrophobicContact CG2-CD2 3.5Å; T336-L560 VanDerWaalsContact CG2-CD2 3.5Å; T336-L560 HydrophobicContact CG2-CG 3.52Å
337	A	76.6	Confident	74.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-44	172.1	0	0	0	0	0	112.7	L178 L179 Q333 E334 K339 K340 I341 L560	L178-A337 HydrophobicContact CB-CB 4.27Å; L178-A337 HydrophobicContact CD1-CB 4.45Å; L179-A337 HydrophobicContact CD2-CB 4.48Å; Q333-A337 PolarHBondContact O-N 3.4Å; E334-A337 PolarHBondContact O-N 3.42Å; A337-K339 VanDerWaalsContact C-N 3.34Å; A337-K339 PolarHBondContact O-N 2.83Å; A337-K340 WeakPolarHBondContact O-CB 3.46Å; A337-K340 PolarHBondContact O-N 3.01Å; A337-I341 WeakPolarHBondContact O-CG1 3.31Å; A337-I341 PolarHBondContact O-N 3.39Å; A337-L560 HydrophobicContact CB-CD1 4.48Å
338	R	79.3	Confident	73.7	Confident	8 Å²	8	39.9 Å²	39.9	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-40.9	175.7	-77.6	-175.3	-68.7	-90.6	0.4	112.4	D253 N274 E282 F303 E334 A335 K340 I341 R342	D253-R338 WeakPolarHBondContact OD2-CD 3.47Å; N274-R338 PolarHBondContact ND2-NH2 2.93Å; E282-R338 IonicContact OE1-CZ 2.78Å; E282-R338 VanDerWaalsContact OE1-CZ 3.29Å; E282-R338 IonicContact OE1-NE 3.89Å; E282-R338 PolarHBondContact OE1-NE 3.22Å; E282-R338 VanDerWaalsContact OE1-NE 3.14Å; E282-R338 IonicContact OE1-NH2 3.29Å; E282-R338 PolarHBondContact OE1-NH2 2.77Å; E282-R338 IonicContact OE2-CZ 3.69Å; E282-R338 IonicContact OE2-NE 3.29Å; E282-R338 PolarHBondContact OE2-NE 3.31Å; E282-R338 IonicContact OE2-NH2 3.91Å; F303-R338 VanDerWaalsContact CD2-CD 3.44Å; F303-R338 VanDerWaalsContact CE1-NH1 3.3Å; E334-R338 WeakPolarHBondContact O-CG 3.03Å; E334-R338 PolarHBondContact O-N 2.77Å; E334-R338 IonicContact OE2-NH1 3.28Å; A335-R338 VanDerWaalsContact CA-NH2 3.3Å; A335-R338 VanDerWaalsContact N-NH2 3.15Å; A335-R338 PolarHBondContact O-N 2.7Å; R338-K340 VanDerWaalsContact C-N 3.31Å; R338-K340 PolarHBondContact O-N 3.22Å; R338-I341 PolarHBondContact O-N 2.94Å; R338-R342 PolarHBondContact O-N 3.13Å
339	K	77.3	Confident	72.5	Confident	46 Å²	46	44.3 Å²	44.3	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-42	173.6	-178	175.2	174.7	-170.5	0	112.2	F277 A335 T336 A337 R342 L343	F277-K339 HydrophobicContact CD1-CD 3.67Å; F277-K339 HydrophobicContact CD2-CD 4.26Å; F277-K339 HydrophobicContact CE1-CB 4.38Å; F277-K339 HydrophobicContact CE1-CD 3.29Å; F277-K339 HydrophobicContact CE1-CG 4.46Å; F277-K339 HydrophobicContact CE2-CD 3.93Å; F277-K339 HydrophobicContact CG-CD 4.14Å; F277-K339 HydrophobicContact CZ-CB 3.87Å; F277-K339 HydrophobicContact CZ-CD 3.44Å; F277-K339 VanDerWaalsContact CZ-CD 3.44Å; F277-K339 HydrophobicContact CZ-CG 4.24Å; A335-K339 PolarHBondContact O-N 2.8Å; T336-K339 PolarHBondContact O-N 2.75Å; A337-K339 VanDerWaalsContact C-N 3.34Å; A337-K339 PolarHBondContact O-N 2.83Å; K339-R342 PolarHBondContact O-N 2.65Å; K339-L343 HydrophobicContact CG-CD1 4.49Å; K339-L343 WeakPolarHBondContact O-CG 3.02Å; K339-L343 PolarHBondContact O-N 3.09Å; K339-L343 VanDerWaalsContact O-N 3.12Å
340	K	74	Confident	71	Confident	21 Å²	21	41.6 Å²	41.6	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-51.9	173.3	-178.2	-172.5	169.2	174.6	0	111.2	L178 T336 A337 R338 R342 L343 D344 S554 T555 A558 L560	L178-K340 HydrophobicContact CD1-CD 4.19Å; L178-K340 HydrophobicContact CD2-CD 3.8Å; T336-K340 PolarHBondContact O-N 3.35Å; T336-K340 VanDerWaalsContact O-N 3.1Å; A337-K340 WeakPolarHBondContact O-CB 3.46Å; A337-K340 PolarHBondContact O-N 3.01Å; R338-K340 VanDerWaalsContact C-N 3.31Å; R338-K340 PolarHBondContact O-N 3.22Å; K340-R342 PolarHBondContact O-N 2.77Å; K340-L343 PolarHBondContact O-N 2.73Å; K340-L343 VanDerWaalsContact O-N 3.12Å; K340-D344 WeakPolarHBondContact CE-OD2 3.45Å; K340-D344 PolarHBondContact O-N 3.01Å; K340-S554 WeakPolarHBondContact CE-OG 3.29Å; K340-S554 WeakPolarHBondContact CG-OG 3.23Å; K340-T555 HydrophobicContact CD-CG2 4.44Å; K340-T555 WeakPolarHBondContact CE-OG1 3.41Å; K340-T555 PolarHBondContact NZ-OG1 3.2Å; K340-A558 HydrophobicContact CB-CB 3.85Å; K340-L560 HydrophobicContact CB-CD1 3.85Å; K340-L560 HydrophobicContact CD-CD1 3.87Å; K340-L560 HydrophobicContact CG-CD1 4.42Å
341	I	73.9	Confident	69.5	Low	9 Å²	9	35.4 Å²	35.4	5%	0.046	16%	0.163	C	C	.	.	H	α-helix	trans	-56.1	-40.8	179.5	-67.1	168.4	0	0	0	111.2	I174 V175 L178 A337 R338 D344 R345	I174-I341 HydrophobicContact CG2-CD1 4.06Å; I174-I341 HydrophobicContact CG2-CG1 4.14Å; V175-I341 HydrophobicContact CB-CD1 4.44Å; V175-I341 HydrophobicContact CG2-CD1 3.39Å; L178-I341 HydrophobicContact CD1-CD1 3.86Å; L178-I341 HydrophobicContact CD1-CG1 3.55Å; A337-I341 WeakPolarHBondContact O-CG1 3.31Å; A337-I341 PolarHBondContact O-N 3.39Å; R338-I341 PolarHBondContact O-N 2.94Å; I341-D344 PolarHBondContact O-N 3.05Å; I341-R345 HydrophobicContact CG2-CG 4.27Å; I341-R345 WeakPolarHBondContact O-CB 3.43Å; I341-R345 VanDerWaalsContact O-CG 3.3Å; I341-R345 WeakPolarHBondContact O-CG 3.45Å; I341-R345 PolarHBondContact O-N 2.9Å
342	R	74.1	Confident	67.9	Low	35 Å²	35	39.4 Å²	39.4	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-43.5	179.1	-163	178.7	-49.2	100.8	6.8	112.2	D253 E282 R338 K339 K340 K346	D253-R342 VanDerWaalsContact CG-NH2 3.27Å; D253-R342 IonicContact OD1-CZ 3.19Å; D253-R342 VanDerWaalsContact OD1-CZ 3.32Å; D253-R342 IonicContact OD1-NE 2.87Å; D253-R342 PolarHBondContact OD1-NE 3.46Å; D253-R342 IonicContact OD1-NH2 2.82Å; D253-R342 PolarHBondContact OD1-NH2 3.05Å; D253-R342 IonicContact OD2-CZ 3.93Å; D253-R342 IonicContact OD2-NH2 3.52Å; D253-R342 PolarHBondContact OD2-NH2 2.85Å; E282-R342 IonicContact OE2-NH2 2.6Å; R338-R342 PolarHBondContact O-N 3.13Å; K339-R342 PolarHBondContact O-N 2.65Å; K340-R342 PolarHBondContact O-N 2.77Å; R342-K346 VanDerWaalsContact O-CB 3.27Å; R342-K346 WeakPolarHBondContact O-CB 3.44Å; R342-K346 PolarHBondContact O-N 3.49Å
343	L	69.7	Low	66	Low	13 Å²	13	44.1 Å²	44.1	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-48.7	174.3	-67.6	170.5	0	0	0	110.2	K339 K340 R345 K346 Y347 I557	K339-L343 HydrophobicContact CG-CD1 4.49Å; K339-L343 WeakPolarHBondContact O-CG 3.02Å; K339-L343 PolarHBondContact O-N 3.09Å; K339-L343 VanDerWaalsContact O-N 3.12Å; K340-L343 PolarHBondContact O-N 2.73Å; K340-L343 VanDerWaalsContact O-N 3.12Å; L343-R345 PolarHBondContact O-N 3.11Å; L343-K346 PolarHBondContact O-N 3.34Å; L343-Y347 HydrophobicContact CB-CE2 4.46Å; L343-Y347 HydrophobicContact CD2-CE2 3.93Å; L343-Y347 WeakPolarHBondContact O-CD2 3.36Å; L343-Y347 PolarHBondContact O-N 3.45Å; L343-I557 HydrophobicContact CD1-CB 4.32Å; L343-I557 HydrophobicContact CD1-CG2 3.78Å
344	D	66.9	Low	64.4	Low	23 Å²	23	43.1 Å²	43.1	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-54.4	-51.4	178	-70.4	-15.8	0	0	0	111.2	K340 I341 Y347 I348 L550 S554	K340-D344 WeakPolarHBondContact CE-OD2 3.45Å; K340-D344 PolarHBondContact O-N 3.01Å; I341-D344 PolarHBondContact O-N 3.05Å; D344-Y347 PolarHBondContact O-N 3.16Å; D344-I348 HydrophobicContact CB-CD1 4.05Å; D344-I348 WeakPolarHBondContact O-CB 3.5Å; D344-I348 VanDerWaalsContact O-CD1 3.31Å; D344-I348 WeakPolarHBondContact O-CD1 3.31Å; D344-I348 WeakPolarHBondContact O-CG1 3.43Å; D344-I348 PolarHBondContact O-N 3.09Å; D344-L550 HydrophobicContact CB-CD2 4.33Å; D344-L550 VanDerWaalsContact OD1-CD2 3.3Å; D344-L550 WeakPolarHBondContact OD1-CD2 3.28Å; D344-S554 WeakPolarHBondContact OD1-CB 3.45Å; D344-S554 PolarHBondContact OD1-OG 3.43Å
345	R	66.6	Low	62.6	Low	30 Å²	30	50.9 Å²	50.9	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-45	-180	-73.4	176.7	175.4	175.5	-2.6	113.1	D78 H171 I341 L343 Y347 I348 I349	D78-R345 IonicContact OD1-NH1 2.8Å; D78-R345 PolarHBondContact OD1-NH1 3.38Å; D78-R345 VanDerWaalsContact OD2-CD 3.26Å; D78-R345 WeakPolarHBondContact OD2-CD 3.33Å; D78-R345 IonicContact OD2-CZ 2.99Å; D78-R345 IonicContact OD2-NE 3.39Å; D78-R345 IonicContact OD2-NH1 2.66Å; D78-R345 PolarHBondContact OD2-NH1 2.9Å; H171-R345 PolarHBondContact CD2-NH2 3.08Å; I341-R345 HydrophobicContact CG2-CG 4.27Å; I341-R345 WeakPolarHBondContact O-CB 3.43Å; I341-R345 VanDerWaalsContact O-CG 3.3Å; I341-R345 WeakPolarHBondContact O-CG 3.45Å; I341-R345 PolarHBondContact O-N 2.9Å; L343-R345 PolarHBondContact O-N 3.11Å; R345-Y347 VanDerWaalsContact C-N 3.25Å; R345-Y347 PolarHBondContact O-N 3.48Å; R345-I348 PolarHBondContact O-N 2.97Å; R345-I349 HydrophobicContact CB-CD1 4.41Å; R345-I349 WeakPolarHBondContact O-CB 3.27Å; R345-I349 WeakPolarHBondContact O-CG1 3.16Å; R345-I349 PolarHBondContact O-N 3.28Å
346	K	65.6	Low	60.9	Low	87 Å²	87	55.8 Å²	55.8	38%	0.378	27%	0.272	S	S	.	.	H	α-helix	trans	-55.9	-42.3	-179.4	-178.1	177.3	175.9	-178.5	0	111.4	R342 L343 S350 E402	R342-K346 VanDerWaalsContact O-CB 3.27Å; R342-K346 WeakPolarHBondContact O-CB 3.44Å; R342-K346 PolarHBondContact O-N 3.49Å; L343-K346 PolarHBondContact O-N 3.34Å; K346-S350 WeakPolarHBondContact O-CB 3.18Å; K346-S350 PolarHBondContact O-N 3.42Å; K346-S350 PolarHBondContact O-OG 3.04Å; K346-E402 IonicContact NZ-OE2 3.35Å; K346-E402 PolarHBondContact NZ-OE2 3.2Å
347	Y	57.9	Low	59.6	Low	4 Å²	4	60.3 Å²	60.3	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-94.9	-23.4	-174.9	-59.6	-64.8	0	0	0	114.2	L343 D344 R345 E402 L407 L550	L343-Y347 HydrophobicContact CB-CE2 4.46Å; L343-Y347 HydrophobicContact CD2-CE2 3.93Å; L343-Y347 WeakPolarHBondContact O-CD2 3.36Å; L343-Y347 PolarHBondContact O-N 3.45Å; D344-Y347 PolarHBondContact O-N 3.16Å; R345-Y347 VanDerWaalsContact C-N 3.25Å; R345-Y347 PolarHBondContact O-N 3.48Å; Y347-E402 WeakPolarHBondContact OH-CB 3.35Å; Y347-E402 WeakPolarHBondContact OH-CG 3.21Å; Y347-E402 PolarHBondContact OH-OE2 2.67Å; Y347-L407 HydrophobicContact CD1-CB 4.19Å; Y347-L407 HydrophobicContact CD2-CB 3.88Å; Y347-L407 HydrophobicContact CD2-CD2 4.13Å; Y347-L407 HydrophobicContact CE1-CB 3.94Å; Y347-L407 HydrophobicContact CE2-CB 3.65Å; Y347-L407 HydrophobicContact CE2-CD1 4.09Å; Y347-L407 HydrophobicContact CE2-CD2 3.84Å; Y347-L407 HydrophobicContact CE2-CG 4.08Å; Y347-L407 HydrophobicContact CG-CB 4.18Å; Y347-L550 HydrophobicContact CD2-CD1 4.04Å; Y347-L550 HydrophobicContact CG-CD1 3.88Å
348	I	58.3	Low	58.7	Low	74 Å²	74	61.7 Å²	61.7	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-72.2	-40	172.4	-68.6	166	0	0	0	110.9	D344 R345	D344-I348 HydrophobicContact CB-CD1 4.05Å; D344-I348 WeakPolarHBondContact O-CB 3.5Å; D344-I348 VanDerWaalsContact O-CD1 3.31Å; D344-I348 WeakPolarHBondContact O-CD1 3.31Å; D344-I348 WeakPolarHBondContact O-CG1 3.43Å; D344-I348 PolarHBondContact O-N 3.09Å; R345-I348 PolarHBondContact O-N 2.97Å
349	I	50.4	Low	57.7	Low	100 Å²	100	62.5 Å²	62.5	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-77.9	-44.2	-176.7	-63.3	170.5	0	0	0	111.4	R345 R351 K352	R345-I349 HydrophobicContact CB-CD1 4.41Å; R345-I349 WeakPolarHBondContact O-CB 3.27Å; R345-I349 WeakPolarHBondContact O-CG1 3.16Å; R345-I349 PolarHBondContact O-N 3.28Å; I349-R351 PolarHBondContact O-N 3.21Å; I349-K352 PolarHBondContact O-N 3.42Å
350	S	45.8	Very low	57.4	Low	24 Å²	24	62.5 Å²	62.5	17%	0.168	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-24.8	-178.1	53.9	0	0	0	0	113.8	K346	K346-S350 WeakPolarHBondContact O-CB 3.18Å; K346-S350 PolarHBondContact O-N 3.42Å; K346-S350 PolarHBondContact O-OG 3.04Å
351	R	49	Very low	57.3	Low	33 Å²	33	65.9 Å²	65.9	13%	0.125	34%	0.344	C	S	.	.	H	α-helix	trans	-89.5	-28.3	178.2	-83.5	-148.7	176.1	-172.2	-8.3	115.6	I349 Q353 S354 M406	I349-R351 PolarHBondContact O-N 3.21Å; R351-Q353 PolarHBondContact O-N 3.35Å; R351-Q353 VanDerWaalsContact O-N 3.15Å; R351-S354 CarbonylContact O-C 3.47Å; R351-S354 PolarHBondContact O-N 3.17Å; R351-M406 PolarHBondContact NH2-SD 3.31Å
352	K	49.2	Very low	57.2	Low	153 Å²	153	67.3 Å²	67.3	67%	0.665	35%	0.348	S	S	*	.	H	α-helix	trans	-61.9	-19.2	171	-76.6	-171.5	176.8	-171	0	112.2	I349	I349-K352 PolarHBondContact O-N 3.42Å
353	Q	37.5	Very low	57.2	Low	159 Å²	159	67.8 Å²	67.8	74%	0.743	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-18.3	175.1	-71	174.4	-25.7	0	0	113.6	R351	R351-Q353 PolarHBondContact O-N 3.35Å; R351-Q353 VanDerWaalsContact O-N 3.15Å
354	S	42.6	Very low	57.5	Low	53 Å²	53	70.9 Å²	70.9	37%	0.371	38%	0.375	S	S	.	.			trans	-113.4	86.5	174.8	76.6	0	0	0	0	109.7	R351 V356	R351-S354 CarbonylContact O-C 3.47Å; R351-S354 PolarHBondContact O-N 3.17Å; S354-V356 PolarHBondContact O-N 3.07Å
355	E	42.8	Very low	57.8	Low	188 Å²	188	79.8 Å²	79.8	88%	0.879	41%	0.407	S	S	*	.			trans	-69.1	62.9	172	-67.5	-176.9	159.8	0	0	111.2
356	V	45	Very low	58.2	Low	103 Å²	103	82.5 Å²	82.5	62%	0.624	42%	0.424	S	S	*	.			trans	-104.5	121	169.3	-172.9	0	0	0	0	108.1	S354 L358	S354-V356 PolarHBondContact O-N 3.07Å; V356-L358 PolarHBondContact O-N 2.93Å
357	P	49.3	Very low	58.6	Low	102 Å²	102	81.5 Å²	81.5	66%	0.662	42%	0.42	S	S	*	.			trans	-61.6	129.3	174.9	23.3	-30.1	0	0	0	109.8
358	L	57.8	Low	59.5	Low	30 Å²	30	86.6 Å²	86.6	16%	0.157	45%	0.451	C	S	.	.			trans	-84.4	-22.3	-173.8	-49.2	161.6	0	0	0	111.6	V356 E521 L523	V356-L358 PolarHBondContact O-N 2.93Å; L358-E521 HydrophobicContact CB-CB 3.95Å; L358-E521 WeakPolarHBondContact CB-OE2 3.46Å; L358-E521 HydrophobicContact CD1-CB 4.02Å; L358-E521 WeakPolarHBondContact CD1-OE2 3.24Å; L358-E521 WeakPolarHBondContact CG-OE2 3.4Å; L358-E521 PolarHBondContact N-OE2 3.24Å; L358-L523 HydrophobicContact CB-CD2 3.66Å; L358-L523 HydrophobicContact CB-CG 4.1Å; L358-L523 HydrophobicContact CD2-CD1 3.77Å; L358-L523 HydrophobicContact CD2-CD2 3.66Å; L358-L523 HydrophobicContact CD2-CG 3.72Å; L358-L523 HydrophobicContact CG-CD2 4.29Å; L358-L523 HydrophobicContact CG-CG 4.43Å
359	S	59.2	Low	60.4	Low	26 Å²	26	90.3 Å²	90.3	18%	0.182	46%	0.462	C	S	.	.	S	Bend	trans	-85.3	133	176.2	56	0	0	0	0	111.6	E521	S359-E521 WeakPolarHBondContact CB-OE1 3.42Å; S359-E521 PolarHBondContact N-OE1 2.86Å; S359-E521 PolarHBondContact OG-OE1 3.42Å
360	V	69.2	Low	61.6	Low	46 Å²	46	86.4 Å²	86.4	28%	0.279	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131	172.3	-173.3	0	0	0	0	107.9	W362 L370 V506 S507	V360-W362 PolarHBondContact O-N 3.08Å; V360-L370 HydrophobicContact CB-CD2 4.34Å; V360-L370 HydrophobicContact CG1-CD2 3.54Å; V360-V506 WeakPolarHBondContact O-CA 2.93Å; V360-S507 PolarHBondContact O-N 2.84Å
361	P	72	Confident	63.2	Low	92 Å²	92	85.3 Å²	85.3	60%	0.597	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	129.8	173.2	24.9	-32.9	0	0	0	110	D363 S507	P361-D363 PolarHBondContact O-N 3.48Å; P361-S507 VanDerWaalsContact CA-OG 3.29Å; P361-S507 WeakPolarHBondContact CA-OG 3.24Å
362	W	73.3	Confident	64.7	Low	38 Å²	38	91.1 Å²	91.1	14%	0.144	46%	0.457	C	S	.	.			trans	-74.1	109.2	176	178.8	-99.5	0	0	0	110	V360 Q367 L370 V448 I454 L486 V506 S507 L508	V360-W362 PolarHBondContact O-N 3.08Å; W362-Q367 HydrophobicContact CH2-CB 3.78Å; W362-Q367 HydrophobicContact CZ2-CB 4.01Å; W362-L370 HydrophobicContact CE3-CD1 3.76Å; W362-L370 HydrophobicContact CZ3-CB 4.38Å; W362-L370 HydrophobicContact CZ3-CD1 3.95Å; W362-V448 HydrophobicContact CH2-CB 4.28Å; W362-V448 HydrophobicContact CH2-CG1 3.78Å; W362-V448 HydrophobicContact CH2-CG2 3.56Å; W362-V448 HydrophobicContact CZ2-CB 4.3Å; W362-V448 HydrophobicContact CZ2-CG1 3.82Å; W362-V448 HydrophobicContact CZ2-CG2 3.46Å; W362-V448 VanDerWaalsContact CZ2-CG2 3.46Å; W362-I454 HydrophobicContact CD2-CD1 3.7Å; W362-I454 HydrophobicContact CE3-CD1 3.98Å; W362-I454 HydrophobicContact CG-CD1 4.26Å; W362-I454 HydrophobicContact CH2-CD1 4.18Å; W362-I454 HydrophobicContact CZ2-CD1 3.89Å; W362-I454 HydrophobicContact CZ3-CD1 4.21Å; W362-L486 HydrophobicContact CH2-CD1 4.13Å; W362-L486 HydrophobicContact CZ3-CD1 3.75Å; W362-L486 HydrophobicContact CZ3-CD2 3.92Å; W362-L486 HydrophobicContact CZ3-CG 4.41Å; W362-V506 HydrophobicContact CB-CB 4.36Å; W362-V506 HydrophobicContact CE3-CG1 4.3Å; W362-S507 WeakPolarHBondContact CB-O 3.16Å; W362-S507 PolarHBondContact N-O 3.11Å; W362-L508 HydrophobicContact CB-CD2 3.61Å; W362-L508 HydrophobicContact CB-CG 4.3Å; W362-L508 HydrophobicContact CG-CD2 3.61Å
363	D	74	Confident	66.2	Low	45 Å²	45	86.5 Å²	86.5	24%	0.241	44%	0.439	C	S	.	.			trans	-110.5	118.1	167.7	-168.2	-29	0	0	0	109	P361 R365 N366 Q367	P361-D363 PolarHBondContact O-N 3.48Å; D363-R365 PolarHBondContact O-N 3.3Å; D363-R365 VanDerWaalsContact O-N 3.09Å; D363-R365 WeakPolarHBondContact OD1-CB 3.21Å; D363-R365 PolarHBondContact OD1-N 3.15Å; D363-R365 IonicContact OD1-NE 3.91Å; D363-R365 PolarHBondContact OD1-NE 3.44Å; D363-R365 IonicContact OD1-NH2 3.83Å; D363-R365 IonicContact OD2-CZ 3.68Å; D363-R365 IonicContact OD2-NE 3.68Å; D363-R365 PolarHBondContact OD2-NE 3.25Å; D363-R365 IonicContact OD2-NH2 3.59Å; D363-R365 PolarHBondContact OD2-NH2 2.92Å; D363-N366 PolarHBondContact O-N 3.1Å; D363-Q367 PolarHBondContact O-N 3.32Å
364	P	74.4	Confident	68.3	Low	79 Å²	79	78.9 Å²	78.9	51%	0.513	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-52.7	-29	175.6	-27.1	34.7	0	0	0	113.9	N366 Q367	P364-N366 VanDerWaalsContact C-N 3.27Å; P364-N366 PolarHBondContact O-N 2.97Å; P364-Q367 WeakPolarHBondContact O-CB 3.46Å; P364-Q367 VanDerWaalsContact O-CG 3.31Å; P364-Q367 WeakPolarHBondContact O-CG 3.44Å; P364-Q367 PolarHBondContact O-N 2.66Å
365	R	74.1	Confident	70.2	Confident	209 Å²	209	77 Å²	77	79%	0.789	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-68.3	-26.9	178.2	-66.1	175.2	-72.6	-174.7	0.4	113	D363	D363-R365 PolarHBondContact O-N 3.3Å; D363-R365 VanDerWaalsContact O-N 3.09Å; D363-R365 WeakPolarHBondContact OD1-CB 3.21Å; D363-R365 PolarHBondContact OD1-N 3.15Å; D363-R365 IonicContact OD1-NE 3.91Å; D363-R365 PolarHBondContact OD1-NE 3.44Å; D363-R365 IonicContact OD1-NH2 3.83Å; D363-R365 IonicContact OD2-CZ 3.68Å; D363-R365 IonicContact OD2-NE 3.68Å; D363-R365 PolarHBondContact OD2-NE 3.25Å; D363-R365 IonicContact OD2-NH2 3.59Å; D363-R365 PolarHBondContact OD2-NH2 2.92Å
366	N	74.2	Confident	72	Confident	88 Å²	88	70 Å²	70	47%	0.471	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-104.8	12.1	-179.2	-71.1	-16.8	0	0	0	112.7	D363 P364 V368 Y369 L370	D363-N366 PolarHBondContact O-N 3.1Å; P364-N366 VanDerWaalsContact C-N 3.27Å; P364-N366 PolarHBondContact O-N 2.97Å; N366-V368 VanDerWaalsContact C-N 3.28Å; N366-V368 PolarHBondContact O-N 2.8Å; N366-Y369 WeakPolarHBondContact O-CB 3.19Å; N366-Y369 PolarHBondContact O-N 3.44Å; N366-L370 HydrophobicContact CB-CG 4.46Å; N366-L370 WeakPolarHBondContact O-CG 3.42Å; N366-L370 PolarHBondContact O-N 2.85Å
367	Q	75.5	Confident	73.7	Confident	66 Å²	66	66.2 Å²	66.2	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-52.2	-44.4	-174.5	68.3	-174.5	8.8	0	0	113	W362 D363 P364 Y369 L370 S371 V448	W362-Q367 HydrophobicContact CH2-CB 3.78Å; W362-Q367 HydrophobicContact CZ2-CB 4.01Å; D363-Q367 PolarHBondContact O-N 3.32Å; P364-Q367 WeakPolarHBondContact O-CB 3.46Å; P364-Q367 VanDerWaalsContact O-CG 3.31Å; P364-Q367 WeakPolarHBondContact O-CG 3.44Å; P364-Q367 PolarHBondContact O-N 2.66Å; Q367-Y369 VanDerWaalsContact C-N 3.34Å; Q367-Y369 PolarHBondContact O-N 3.39Å; Q367-L370 PolarHBondContact O-N 3.4Å; Q367-S371 PolarHBondContact O-N 3Å; Q367-S371 PolarHBondContact O-OG 3.07Å; Q367-V448 HydrophobicContact CB-CG1 4.01Å; Q367-V448 HydrophobicContact CG-CG1 4.36Å
368	V	76.6	Confident	75.4	Confident	110 Å²	110	61.3 Å²	61.3	67%	0.667	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-40.8	-179.5	-178.3	0	0	0	0	111.2	N366 Y372	N366-V368 VanDerWaalsContact C-N 3.28Å; N366-V368 PolarHBondContact O-N 2.8Å; V368-Y372 VanDerWaalsContact O-CB 3.27Å; V368-Y372 WeakPolarHBondContact O-CB 3.26Å; V368-Y372 PolarHBondContact O-N 2.88Å
369	Y	76.3	Confident	76.6	Confident	152 Å²	152	64.3 Å²	64.3	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-69.7	-39.9	178.3	-176.7	-95.5	0	0	0	111.6	N366 Q367 Y372 N373	N366-Y369 WeakPolarHBondContact O-CB 3.19Å; N366-Y369 PolarHBondContact O-N 3.44Å; Q367-Y369 VanDerWaalsContact C-N 3.34Å; Q367-Y369 PolarHBondContact O-N 3.39Å; Y369-Y372 PolarHBondContact O-N 3.05Å; Y369-N373 WeakPolarHBondContact O-CB 3.39Å; Y369-N373 PolarHBondContact O-N 2.88Å
370	L	76	Confident	77.8	Confident	18 Å²	18	68.9 Å²	68.9	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-45.7	177.3	-68.7	175.6	0	0	0	111.5	V360 W362 N366 Q367 N373 N374 L486	V360-L370 HydrophobicContact CB-CD2 4.34Å; V360-L370 HydrophobicContact CG1-CD2 3.54Å; W362-L370 HydrophobicContact CE3-CD1 3.76Å; W362-L370 HydrophobicContact CZ3-CB 4.38Å; W362-L370 HydrophobicContact CZ3-CD1 3.95Å; N366-L370 HydrophobicContact CB-CG 4.46Å; N366-L370 WeakPolarHBondContact O-CG 3.42Å; N366-L370 PolarHBondContact O-N 2.85Å; Q367-L370 PolarHBondContact O-N 3.4Å; L370-N373 PolarHBondContact O-N 2.92Å; L370-N374 WeakPolarHBondContact O-CB 3.35Å; L370-N374 PolarHBondContact O-N 2.84Å; L370-L486 HydrophobicContact CB-CD2 4.31Å
371	S	80.3	Confident	78.3	Confident	1 Å²	1	67 Å²	67	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-43.7	174.9	-60.5	0	0	0	0	112	Q367 N374 V375 D452	Q367-S371 PolarHBondContact O-N 3Å; Q367-S371 PolarHBondContact O-OG 3.07Å; S371-N374 WeakPolarHBondContact O-CB 3.41Å; S371-N374 PolarHBondContact O-N 3.25Å; S371-V375 WeakPolarHBondContact O-CG2 3.39Å; S371-V375 PolarHBondContact O-N 3.03Å; S371-D452 WeakPolarHBondContact CB-OD2 3.38Å; S371-D452 PolarHBondContact OG-OD1 3.39Å; S371-D452 PolarHBondContact OG-OD2 2.82Å
372	Y	80.6	Confident	78.8	Confident	156 Å²	156	63.8 Å²	63.8	61%	0.612	31%	0.311	S	S	*	.	H	α-helix	trans	-62.2	-45.6	176.3	178.9	-94.5	0	0	0	112	V368 Y369 N374 V375 S376	V368-Y372 VanDerWaalsContact O-CB 3.27Å; V368-Y372 WeakPolarHBondContact O-CB 3.26Å; V368-Y372 PolarHBondContact O-N 2.88Å; Y369-Y372 PolarHBondContact O-N 3.05Å; Y372-N374 VanDerWaalsContact C-N 3.32Å; Y372-N374 PolarHBondContact O-N 2.85Å; Y372-V375 PolarHBondContact O-N 2.68Å; Y372-S376 WeakPolarHBondContact O-CB 3.36Å; Y372-S376 PolarHBondContact O-N 3.03Å
373	N	79.7	Confident	79.3	Confident	55 Å²	55	65.5 Å²	65.5	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-39	177.1	-172.2	-26.9	0	0	0	111	Y369 L370 S376 A377 R504	Y369-N373 WeakPolarHBondContact O-CB 3.39Å; Y369-N373 PolarHBondContact O-N 2.88Å; L370-N373 PolarHBondContact O-N 2.92Å; N373-S376 PolarHBondContact O-N 2.93Å; N373-A377 WeakPolarHBondContact O-CB 3.32Å; N373-A377 PolarHBondContact O-N 2.85Å; N373-R504 PolarHBondContact O-NH2 3.16Å; N373-R504 PolarHBondContact OD1-NH2 3.45Å
374	N	80.6	Confident	79.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-52.7	175.2	-169	19.6	0	0	0	111.6	L370 S371 Y372 A377 L378 L486 S488 A502 R504	L370-N374 WeakPolarHBondContact O-CB 3.35Å; L370-N374 PolarHBondContact O-N 2.84Å; S371-N374 WeakPolarHBondContact O-CB 3.41Å; S371-N374 PolarHBondContact O-N 3.25Å; Y372-N374 VanDerWaalsContact C-N 3.32Å; Y372-N374 PolarHBondContact O-N 2.85Å; N374-A377 PolarHBondContact O-N 2.91Å; N374-L378 PolarHBondContact O-N 2.76Å; N374-L486 PolarHBondContact ND2-O 3.41Å; N374-S488 PolarHBondContact ND2-OG 3.46Å; N374-A502 HydrophobicContact CB-CB 4.4Å; N374-A502 PolarHBondContact ND2-O 2.9Å; N374-A502 WeakPolarHBondContact O-CB 3.33Å; N374-A502 WeakPolarHBondContact OD1-CB 3.5Å; N374-R504 WeakPolarHBondContact OD1-CB 3.37Å
375	V	83.2	Confident	79.5	Confident	12 Å²	12	73 Å²	73	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-43.8	178.6	175.5	0	0	0	0	111.7	S371 Y372 L378 K379 R490 V500 A502	S371-V375 WeakPolarHBondContact O-CG2 3.39Å; S371-V375 PolarHBondContact O-N 3.03Å; Y372-V375 PolarHBondContact O-N 2.68Å; V375-L378 PolarHBondContact O-N 3.2Å; V375-K379 HydrophobicContact CG1-CD 4.36Å; V375-K379 WeakPolarHBondContact O-CG 3.12Å; V375-K379 PolarHBondContact O-N 2.83Å; V375-R490 HydrophobicContact CG1-CG 4.25Å; V375-R490 HydrophobicContact CG2-CG 3.83Å; V375-V500 HydrophobicContact CG1-CG1 4Å; V375-A502 HydrophobicContact CG2-CB 4.27Å
376	S	80.6	Confident	79.7	Confident	42 Å²	42	68.7 Å²	68.7	29%	0.294	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-43.1	178.6	-176.3	0	0	0	0	111.5	Y372 N373 L378 K379 M380	Y372-S376 WeakPolarHBondContact O-CB 3.36Å; Y372-S376 PolarHBondContact O-N 3.03Å; N373-S376 PolarHBondContact O-N 2.93Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 2.86Å; S376-K379 PolarHBondContact O-N 2.93Å; S376-M380 WeakPolarHBondContact O-CB 3.44Å; S376-M380 VanDerWaalsContact O-CG 3.24Å; S376-M380 WeakPolarHBondContact O-CG 3.49Å; S376-M380 PolarHBondContact O-N 2.86Å
377	A	81.1	Confident	79.9	Confident	23 Å²	23	66 Å²	66	19%	0.19	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-41.3	177.4	0	0	0	0	0	112.3	N373 N374 M380 L381	N373-A377 WeakPolarHBondContact O-CB 3.32Å; N373-A377 PolarHBondContact O-N 2.85Å; N374-A377 PolarHBondContact O-N 2.91Å; A377-M380 PolarHBondContact O-N 3.04Å; A377-L381 WeakPolarHBondContact O-CB 3.47Å; A377-L381 PolarHBondContact O-N 2.81Å
378	L	84.4	Confident	79.8	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-43.2	175.3	-165.2	76.5	0	0	0	111.6	N374 V375 S376 M380 L381 A382 V500 A502 T528 Y542	N374-L378 PolarHBondContact O-N 2.76Å; V375-L378 PolarHBondContact O-N 3.2Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 2.86Å; L378-M380 VanDerWaalsContact C-N 3.34Å; L378-M380 PolarHBondContact O-N 3.21Å; L378-L381 PolarHBondContact O-N 2.83Å; L378-A382 WeakPolarHBondContact O-CB 3.04Å; L378-A382 PolarHBondContact O-N 3.5Å; L378-V500 HydrophobicContact CD2-CG1 3.72Å; L378-A502 HydrophobicContact CB-CB 4.06Å; L378-A502 HydrophobicContact CD2-CB 4.19Å; L378-T528 HydrophobicContact CD2-CG2 4.15Å; L378-Y542 HydrophobicContact CD1-CG 4.48Å
379	K	83.9	Confident	79.8	Confident	92 Å²	92	67.1 Å²	67.1	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-43.4	175.6	-74.6	-174.3	176.7	-170.7	0	111.5	V375 S376 L381 A382 A383 V500	V375-K379 HydrophobicContact CG1-CD 4.36Å; V375-K379 WeakPolarHBondContact O-CG 3.12Å; V375-K379 PolarHBondContact O-N 2.83Å; S376-K379 PolarHBondContact O-N 2.93Å; K379-L381 VanDerWaalsContact C-N 3.34Å; K379-L381 PolarHBondContact O-N 2.91Å; K379-A382 PolarHBondContact O-N 3.46Å; K379-A383 VanDerWaalsContact O-CB 3.3Å; K379-A383 WeakPolarHBondContact O-CB 3.37Å; K379-A383 PolarHBondContact O-N 2.78Å; K379-V500 HydrophobicContact CG-CG2 4.38Å
380	M	82.9	Confident	79.3	Confident	123 Å²	123	61.8 Å²	61.8	61%	0.606	31%	0.307	S	S	*	.	H	α-helix	trans	-64.6	-37.1	175.9	-73	-61	-67.3	0	0	112	S376 A377 L378 R384	S376-M380 WeakPolarHBondContact O-CB 3.44Å; S376-M380 VanDerWaalsContact O-CG 3.24Å; S376-M380 WeakPolarHBondContact O-CG 3.49Å; S376-M380 PolarHBondContact O-N 2.86Å; A377-M380 PolarHBondContact O-N 3.04Å; L378-M380 VanDerWaalsContact C-N 3.34Å; L378-M380 PolarHBondContact O-N 3.21Å; M380-R384 VanDerWaalsContact O-CG 3.28Å; M380-R384 WeakPolarHBondContact O-CG 3.46Å
381	L	81.6	Confident	78.9	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-43.2	174.6	-176.7	62.3	0	0	0	111.4	A377 L378 K379 R384 W387 L401 Y542	A377-L381 WeakPolarHBondContact O-CB 3.47Å; A377-L381 PolarHBondContact O-N 2.81Å; L378-L381 PolarHBondContact O-N 2.83Å; K379-L381 VanDerWaalsContact C-N 3.34Å; K379-L381 PolarHBondContact O-N 2.91Å; L381-R384 WeakPolarHBondContact O-CG 3.43Å; L381-R384 PolarHBondContact O-N 2.85Å; L381-W387 HydrophobicContact CD1-CH2 4.35Å; L381-W387 HydrophobicContact CD1-CZ2 4.02Å; L381-W387 HydrophobicContact CG-CH2 4.47Å; L381-W387 HydrophobicContact CG-CZ2 4.04Å; L381-W387 PolarHBondContact O-NE1 3.25Å; L381-L401 HydrophobicContact CD1-CD2 4.42Å; L381-Y542 HydrophobicContact CD2-CD1 4.48Å; L381-Y542 HydrophobicContact CG-CD1 4.34Å
382	A	81.4	Confident	78.6	Confident	25 Å²	25	68.3 Å²	68.3	21%	0.207	34%	0.34	C	S	.	.	H	α-helix	trans	-66.4	-37.1	177.6	0	0	0	0	0	112.8	L378 K379 R384 Y542	L378-A382 WeakPolarHBondContact O-CB 3.04Å; L378-A382 PolarHBondContact O-N 3.5Å; K379-A382 PolarHBondContact O-N 3.46Å; A382-R384 PolarHBondContact O-N 3.27Å; A382-Y542 HydrophobicContact CB-CE1 3.89Å; A382-Y542 HydrophobicContact CB-CE2 4.16Å
383	A	83.3	Confident	77.9	Confident	74 Å²	74	66 Å²	66	61%	0.612	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6	-179.3	0	0	0	0	0	114.7	K379	K379-A383 VanDerWaalsContact O-CB 3.3Å; K379-A383 WeakPolarHBondContact O-CB 3.37Å; K379-A383 PolarHBondContact O-N 2.78Å
384	R	82.1	Confident	77	Confident	84 Å²	84	69.6 Å²	69.6	32%	0.317	35%	0.353	S	S	.	.			trans	-66.7	141.3	179.7	-62.9	-175.6	176.5	-178.8	-12.9	110.9	M380 L381 A382 W387 L401	M380-R384 VanDerWaalsContact O-CG 3.28Å; M380-R384 WeakPolarHBondContact O-CG 3.46Å; L381-R384 WeakPolarHBondContact O-CG 3.43Å; L381-R384 PolarHBondContact O-N 2.85Å; A382-R384 PolarHBondContact O-N 3.27Å; R384-W387 PolarHBondContact O-NE1 3.45Å; R384-L401 HydrophobicContact CB-CD2 4.44Å
385	K	72.2	Confident	76.4	Confident	198 Å²	198	77 Å²	77	86%	0.861	39%	0.385	S	S	*	.	S	Bend	trans	-91.7	-10.2	-177.5	-63.3	-177.3	179.8	178.8	0	114.3	W387	K385-W387 VanDerWaalsContact C-N 3.33Å; K385-W387 PolarHBondContact O-N 2.74Å
386	N	77.5	Confident	76.1	Confident	118 Å²	118	77.3 Å²	77.3	63%	0.631	39%	0.387	S	S	*	.			trans	-92.7	18.4	-168.6	-62.6	-3.4	0	0	0	114	R388 L401	N386-R388 PolarHBondContact O-N 2.96Å; N386-L401 HydrophobicContact CB-CD1 3.52Å; N386-L401 VanDerWaalsContact O-CD1 3.25Å; N386-L401 WeakPolarHBondContact O-CD1 3.33Å
387	W	78.3	Confident	76.2	Confident	32 Å²	32	79.2 Å²	79.2	12%	0.121	39%	0.388	C	S	.	.			trans	-67.5	125.9	178.3	-70.4	103.9	0	0	0	111.2	L381 R384 K385 Y399 L401 R410 Y542	L381-W387 HydrophobicContact CD1-CH2 4.35Å; L381-W387 HydrophobicContact CD1-CZ2 4.02Å; L381-W387 HydrophobicContact CG-CH2 4.47Å; L381-W387 HydrophobicContact CG-CZ2 4.04Å; L381-W387 PolarHBondContact O-NE1 3.25Å; R384-W387 PolarHBondContact O-NE1 3.45Å; K385-W387 VanDerWaalsContact C-N 3.33Å; K385-W387 PolarHBondContact O-N 2.74Å; W387-Y399 HydrophobicContact CB-CD1 4.19Å; W387-L401 HydrophobicContact CD2-CB 4.1Å; W387-L401 HydrophobicContact CE3-CB 3.66Å; W387-L401 HydrophobicContact CH2-CB 4.18Å; W387-L401 HydrophobicContact CZ2-CD2 4.29Å; W387-L401 HydrophobicContact CZ3-CB 3.71Å; W387-R410 HydrophobicContact CD2-CB 4.41Å; W387-R410 HydrophobicContact CE3-CB 3.86Å; W387-R410 HydrophobicContact CH2-CB 3.79Å; W387-R410 HydrophobicContact CZ2-CB 4.34Å; W387-R410 HydrophobicContact CZ3-CB 3.53Å; W387-Y542 AromaticContact CH2-CD1 3.85Å; W387-Y542 HydrophobicContact CH2-CD1 3.85Å; W387-Y542 HydrophobicContact CH2-CE1 4.35Å; W387-Y542 AromaticContact CZ2-CD1 3.58Å; W387-Y542 HydrophobicContact CZ2-CD1 3.58Å; W387-Y542 AromaticContact CZ2-CE1 3.76Å; W387-Y542 HydrophobicContact CZ2-CE1 3.76Å
388	R	72.7	Confident	76.2	Confident	155 Å²	155	78.8 Å²	78.8	59%	0.585	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	122	178.2	-63.9	-177.7	-179.7	-176	-2.1	109.9	N386 S390 Y399 T400	N386-R388 PolarHBondContact O-N 2.96Å; R388-S390 PolarHBondContact O-N 3.06Å; R388-S390 VanDerWaalsContact O-N 3.16Å; R388-Y399 CarbonylContact O-C 3.52Å; R388-Y399 VanDerWaalsContact O-CA 3.24Å; R388-Y399 WeakPolarHBondContact O-CA 3.41Å; R388-T400 PolarHBondContact N-O 3.06Å; R388-T400 PolarHBondContact O-N 3.38Å
389	L	76.2	Confident	76.1	Confident	44 Å²	44	80.5 Å²	80.5	23%	0.23	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	110.9	174.4	179.4	70.7	0	0	0	109.9	K278 R397 Y399	K278-L389 WeakPolarHBondContact CD-O 3.36Å; K278-L389 PolarHBondContact NZ-O 3.29Å; L389-R397 HydrophobicContact CD1-CB 3.84Å; L389-R397 HydrophobicContact CD1-CG 4.31Å; L389-Y399 HydrophobicContact CB-CD1 3.94Å; L389-Y399 HydrophobicContact CB-CE1 3.79Å; L389-Y399 HydrophobicContact CD1-CD1 4.23Å; L389-Y399 HydrophobicContact CD1-CD2 4.4Å; L389-Y399 HydrophobicContact CD1-CE1 3.88Å; L389-Y399 HydrophobicContact CD1-CE2 4.07Å; L389-Y399 HydrophobicContact CD1-CG 4.47Å; L389-Y399 HydrophobicContact CG-CE1 4.41Å
390	S	66.6	Low	75.9	Confident	39 Å²	39	76.6 Å²	76.6	27%	0.273	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-53	179.6	-66.4	0	0	0	0	111.8	R388 L398 T400	R388-S390 PolarHBondContact O-N 3.06Å; R388-S390 VanDerWaalsContact O-N 3.16Å; S390-L398 PolarHBondContact N-O 2.85Å; S390-T400 WeakPolarHBondContact OG-CG2 3.37Å; S390-T400 PolarHBondContact OG-OG1 2.89Å
391	T	67.6	Low	75.7	Confident	57 Å²	57	71 Å²	71	35%	0.35	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.9	-177.6	56.1	0	0	0	0	110.7	L398	T391-L398 PolarHBondContact N-O 3.49Å; T391-L398 PolarHBondContact O-N 2.75Å; T391-L398 WeakPolarHBondContact OG1-CB 3.29Å
392	E	74.1	Confident	75.2	Confident	99 Å²	99	74.7 Å²	74.7	46%	0.463	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.3	171.5	-179.1	167.2	-152.4	0	0	107.4	V396 R397	E392-V396 WeakPolarHBondContact CA-O 3.41Å; E392-R397 HydrophobicContact CG-CG 3.98Å; E392-R397 IonicContact OE1-CZ 2.67Å; E392-R397 IonicContact OE1-NE 2.97Å; E392-R397 PolarHBondContact OE1-NE 3.44Å; E392-R397 IonicContact OE1-NH2 3.98Å
393	K	66.9	Low	74.5	Confident	109 Å²	109	76.8 Å²	76.8	47%	0.474	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.6	177.4	-70.1	-172.1	177.5	-174.5	0	108.4	K395 V396 Y565	K393-K395 VanDerWaalsContact C-N 3.35Å; K393-K395 PolarHBondContact O-N 3.29Å; K393-K395 VanDerWaalsContact O-N 3.16Å; K393-V396 PolarHBondContact N-O 3.49Å; K393-V396 WeakPolarHBondContact O-CA 3.22Å; K393-V396 WeakPolarHBondContact O-CB 3.48Å; K393-V396 PolarHBondContact O-N 2.66Å; K393-Y565 HydrophobicContact CB-CD2 3.92Å; K393-Y565 HydrophobicContact CB-CE2 3.69Å
394	D	60.8	Low	73.2	Confident	129 Å²	129	81.3 Å²	81.3	69%	0.69	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.9	53.9	176.2	-56	-41.8	0	0	0	115.4	V396 Y565	D394-V396 PolarHBondContact O-N 2.81Å; D394-Y565 HydrophobicContact CB-CE2 4.26Å; D394-Y565 WeakPolarHBondContact CB-OH 3.19Å; D394-Y565 PolarHBondContact OD2-OH 2.82Å
395	K	67.3	Low	72.1	Confident	157 Å²	157	79.7 Å²	79.7	68%	0.683	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	6.6	-179.5	-48.6	178.9	179.1	-178.3	0	115.7	K393	K393-K395 VanDerWaalsContact C-N 3.35Å; K393-K395 PolarHBondContact O-N 3.29Å; K393-K395 VanDerWaalsContact O-N 3.16Å
396	V	77.6	Confident	71.7	Confident	18 Å²	18	70.8 Å²	70.8	11%	0.109	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.1	166.7	-175.6	0	0	0	0	109.3	E392 K393 D394 V411 E412 A413 Y565 F568	E392-V396 WeakPolarHBondContact CA-O 3.41Å; K393-V396 PolarHBondContact N-O 3.49Å; K393-V396 WeakPolarHBondContact O-CA 3.22Å; K393-V396 WeakPolarHBondContact O-CB 3.48Å; K393-V396 PolarHBondContact O-N 2.66Å; D394-V396 PolarHBondContact O-N 2.81Å; V396-V411 HydrophobicContact CG1-CG1 3.53Å; V396-E412 CarbonylContact C-O 3.46Å; V396-E412 VanDerWaalsContact CA-O 3.31Å; V396-E412 WeakPolarHBondContact CA-O 3.15Å; V396-A413 HydrophobicContact CG2-CB 4.17Å; V396-Y565 HydrophobicContact CB-CD2 4.19Å; V396-Y565 HydrophobicContact CB-CE2 4.36Å; V396-Y565 HydrophobicContact CG2-CD2 4.3Å; V396-Y565 HydrophobicContact CG2-CE2 4.22Å; V396-F568 HydrophobicContact CG1-CB 4.47Å
397	R	80.8	Confident	71.6	Confident	82 Å²	82	65.2 Å²	65.2	31%	0.309	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.1	-178.4	-62.8	-178.6	-174.6	140.3	6.9	110.6	L389 E392 Y399 V411 E412	L389-R397 HydrophobicContact CD1-CB 3.84Å; L389-R397 HydrophobicContact CD1-CG 4.31Å; E392-R397 HydrophobicContact CG-CG 3.98Å; E392-R397 IonicContact OE1-CZ 2.67Å; E392-R397 IonicContact OE1-NE 2.97Å; E392-R397 PolarHBondContact OE1-NE 3.44Å; E392-R397 IonicContact OE1-NH2 3.98Å; R397-Y399 HydrophobicContact CB-CD2 4.28Å; R397-Y399 HydrophobicContact CB-CE2 3.5Å; R397-Y399 WeakPolarHBondContact CD-OH 3.39Å; R397-V411 CarbonylContact O-C 3.58Å; R397-V411 WeakPolarHBondContact O-CA 3.38Å; R397-E412 HydrophobicContact CB-CB 4.43Å; R397-E412 PolarHBondContact N-O 2.82Å; R397-E412 PolarHBondContact O-N 2.82Å
398	L	82.3	Confident	71.7	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.4	173.4	175.3	69.1	0	0	0	109.8	S390 T391 F409 R410 V411 I557	S390-L398 PolarHBondContact N-O 2.85Å; T391-L398 PolarHBondContact N-O 3.49Å; T391-L398 PolarHBondContact O-N 2.75Å; T391-L398 WeakPolarHBondContact OG1-CB 3.29Å; L398-F409 HydrophobicContact CD1-CB 4.19Å; L398-F409 HydrophobicContact CD1-CD2 4.02Å; L398-R410 CarbonylContact C-O 3.59Å; L398-R410 WeakPolarHBondContact CA-O 3.34Å; L398-V411 HydrophobicContact CD1-CG2 3.61Å; L398-I557 HydrophobicContact CD2-CG1 4.25Å
399	Y	81.8	Confident	72.3	Confident	35 Å²	35	56.3 Å²	56.3	14%	0.137	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145	172.5	-59.6	-98.3	0	0	0	110.2	W387 R388 L389 R397 F409 R410 E412	W387-Y399 HydrophobicContact CB-CD1 4.19Å; R388-Y399 CarbonylContact O-C 3.52Å; R388-Y399 VanDerWaalsContact O-CA 3.24Å; R388-Y399 WeakPolarHBondContact O-CA 3.41Å; L389-Y399 HydrophobicContact CB-CD1 3.94Å; L389-Y399 HydrophobicContact CB-CE1 3.79Å; L389-Y399 HydrophobicContact CD1-CD1 4.23Å; L389-Y399 HydrophobicContact CD1-CD2 4.4Å; L389-Y399 HydrophobicContact CD1-CE1 3.88Å; L389-Y399 HydrophobicContact CD1-CE2 4.07Å; L389-Y399 HydrophobicContact CD1-CG 4.47Å; L389-Y399 HydrophobicContact CG-CE1 4.41Å; R397-Y399 HydrophobicContact CB-CD2 4.28Å; R397-Y399 HydrophobicContact CB-CE2 3.5Å; R397-Y399 WeakPolarHBondContact CD-OH 3.39Å; Y399-F409 CarbonylContact O-C 3.58Å; Y399-F409 VanDerWaalsContact O-CA 3.24Å; Y399-F409 WeakPolarHBondContact O-CA 3.37Å; Y399-R410 HydrophobicContact CD2-CG 4.43Å; Y399-R410 PolarHBondContact N-O 2.96Å; Y399-R410 PolarHBondContact O-N 3.48Å; Y399-E412 HydrophobicContact CD2-CG 4.17Å; Y399-E412 HydrophobicContact CE2-CB 4.48Å; Y399-E412 HydrophobicContact CE2-CG 3.94Å; Y399-E412 WeakPolarHBondContact CE2-OE2 3.4Å
400	T	80.3	Confident	72.7	Confident	10 Å²	10	56 Å²	56	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.9	172.7	57.1	0	0	0	0	109.9	R388 S390 S408 F409 I557	R388-T400 PolarHBondContact N-O 3.06Å; R388-T400 PolarHBondContact O-N 3.38Å; S390-T400 WeakPolarHBondContact OG-CG2 3.37Å; S390-T400 PolarHBondContact OG-OG1 2.89Å; T400-S408 CarbonylContact C-O 3.54Å; T400-S408 WeakPolarHBondContact CA-O 3.32Å; T400-F409 HydrophobicContact CG2-CB 4.48Å; T400-I557 HydrophobicContact CG2-CD1 3.51Å; T400-I557 HydrophobicContact CG2-CG1 3.71Å; T400-I557 HydrophobicContact CG2-CG2 4.15Å
401	L	79.3	Confident	73.6	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.2	176.1	176.3	73.5	0	0	0	107.1	L381 R384 N386 W387 Q403 S408	L381-L401 HydrophobicContact CD1-CD2 4.42Å; R384-L401 HydrophobicContact CB-CD2 4.44Å; N386-L401 HydrophobicContact CB-CD1 3.52Å; N386-L401 VanDerWaalsContact O-CD1 3.25Å; N386-L401 WeakPolarHBondContact O-CD1 3.33Å; W387-L401 HydrophobicContact CD2-CB 4.1Å; W387-L401 HydrophobicContact CE3-CB 3.66Å; W387-L401 HydrophobicContact CH2-CB 4.18Å; W387-L401 HydrophobicContact CZ2-CD2 4.29Å; W387-L401 HydrophobicContact CZ3-CB 3.71Å; L401-Q403 HydrophobicContact CD2-CG 4.42Å; L401-Q403 HydrophobicContact CG-CG 4.27Å; L401-S408 PolarHBondContact N-O 2.87Å; L401-S408 PolarHBondContact O-N 2.86Å
402	E	70.1	Confident	74.5	Confident	84 Å²	84	52.2 Å²	52.2	39%	0.393	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.3	174.5	-55.9	-162.3	175.1	0	0	109.1	K346 Y347 L407	K346-E402 IonicContact NZ-OE2 3.35Å; K346-E402 PolarHBondContact NZ-OE2 3.2Å; Y347-E402 WeakPolarHBondContact OH-CB 3.35Å; Y347-E402 WeakPolarHBondContact OH-CG 3.21Å; Y347-E402 PolarHBondContact OH-OE2 2.67Å; E402-L407 HydrophobicContact CG-CD1 3.89Å
403	Q	66.1	Low	75	Confident	69 Å²	69	47.8 Å²	47.8	32%	0.322	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.4	167.8	-67.7	-170.6	-32.8	0	0	109.1	L401 S405 M406	L401-Q403 HydrophobicContact CD2-CG 4.42Å; L401-Q403 HydrophobicContact CG-CG 4.27Å; Q403-S405 PolarHBondContact O-N 3.22Å; Q403-M406 PolarHBondContact N-O 2.83Å; Q403-M406 PolarHBondContact O-N 3.45Å; Q403-M406 VanDerWaalsContact O-O 3.08Å
404	K	57.7	Low	75.7	Confident	169 Å²	169	46.7 Å²	46.7	74%	0.735	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-25.1	-53	-169.4	-68.9	-176.3	173.8	-175	0	114.6	D13	D13-K404 IonicContact OD1-NZ 3.49Å; D13-K404 IonicContact OD2-NZ 2.72Å; D13-K404 PolarHBondContact OD2-NZ 3.43Å
405	S	57.1	Low	76.7	Confident	50 Å²	50	40.8 Å²	40.8	35%	0.35	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	7	-179.6	64.1	0	0	0	0	116.6	Q403	Q403-S405 PolarHBondContact O-N 3.22Å
406	M	65.7	Low	77.3	Confident	11 Å²	11	39 Å²	39	5%	0.054	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	132.2	-173.7	-162.1	166.6	-173.9	0	0	114.3	R351 Q403 L523 Q544 A545	R351-M406 PolarHBondContact NH2-SD 3.31Å; Q403-M406 PolarHBondContact N-O 2.83Å; Q403-M406 PolarHBondContact O-N 3.45Å; Q403-M406 VanDerWaalsContact O-O 3.08Å; M406-L523 HydrophobicContact CE-CB 4.25Å; M406-L523 HydrophobicContact CE-CD1 3.67Å; M406-L523 HydrophobicContact CE-CG 4.36Å; M406-L523 HydrophobicContact SD-CD1 3.69Å; M406-Q544 HydrophobicContact CE-CB 3.34Å; M406-Q544 VanDerWaalsContact CE-CD 3.45Å; M406-Q544 HydrophobicContact CE-CG 3.18Å; M406-Q544 VanDerWaalsContact CE-O 3.27Å; M406-Q544 WeakPolarHBondContact CE-O 3.3Å; M406-Q544 HydrophobicContact CG-CG 4.21Å; M406-Q544 HydrophobicContact SD-CB 4.28Å; M406-Q544 HydrophobicContact SD-CG 3.44Å; M406-Q544 WeakPolarHBondContact SD-CG 3.41Å; M406-Q544 PolarHBondContact SD-NE2 3.24Å; M406-A545 WeakPolarHBondContact CE-O 3.45Å
407	L	74	Confident	77.5	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.8	170.8	-172.7	58.8	0	0	0	109.2	Y347 E402 A545 I553 I557	Y347-L407 HydrophobicContact CD1-CB 4.19Å; Y347-L407 HydrophobicContact CD2-CB 3.88Å; Y347-L407 HydrophobicContact CD2-CD2 4.13Å; Y347-L407 HydrophobicContact CE1-CB 3.94Å; Y347-L407 HydrophobicContact CE2-CB 3.65Å; Y347-L407 HydrophobicContact CE2-CD1 4.09Å; Y347-L407 HydrophobicContact CE2-CD2 3.84Å; Y347-L407 HydrophobicContact CE2-CG 4.08Å; Y347-L407 HydrophobicContact CG-CB 4.18Å; E402-L407 HydrophobicContact CG-CD1 3.89Å; L407-A545 HydrophobicContact CB-CB 4.17Å; L407-A545 WeakPolarHBondContact O-CA 3.42Å; L407-A545 WeakPolarHBondContact O-CB 3.37Å; L407-A545 PolarHBondContact O-N 2.77Å; L407-I553 HydrophobicContact CD2-CG2 4.08Å; L407-I557 HydrophobicContact CD1-CD1 4.35Å; L407-I557 HydrophobicContact CD2-CD1 3.63Å; L407-I557 HydrophobicContact CG-CD1 4.2Å
408	S	81.2	Confident	77.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.4	167.5	-46.3	0	0	0	0	108.9	T400 L401 N543 Q544	T400-S408 CarbonylContact C-O 3.54Å; T400-S408 WeakPolarHBondContact CA-O 3.32Å; L401-S408 PolarHBondContact N-O 2.87Å; L401-S408 PolarHBondContact O-N 2.86Å; S408-N543 WeakPolarHBondContact CA-O 3.12Å; S408-Q544 VanDerWaalsContact OG-CG 3.26Å; S408-Q544 WeakPolarHBondContact OG-CG 3.38Å
409	F	83.9	Confident	77.6	Confident	1 Å²	1	35 Å²	35	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.7	173.4	72.2	-82.4	0	0	0	110.4	L398 Y399 T400 V411 Y541 N543 I553 F564	L398-F409 HydrophobicContact CD1-CB 4.19Å; L398-F409 HydrophobicContact CD1-CD2 4.02Å; Y399-F409 CarbonylContact O-C 3.58Å; Y399-F409 VanDerWaalsContact O-CA 3.24Å; Y399-F409 WeakPolarHBondContact O-CA 3.37Å; T400-F409 HydrophobicContact CG2-CB 4.48Å; F409-V411 HydrophobicContact CD2-CG2 3.97Å; F409-V411 HydrophobicContact CE2-CG2 4.13Å; F409-Y541 HydrophobicContact CE2-CD1 4.06Å; F409-Y541 AromaticContact CE2-CE1 3.96Å; F409-Y541 HydrophobicContact CE2-CE1 3.96Å; F409-Y541 HydrophobicContact CZ-CD1 4.47Å; F409-Y541 AromaticContact CZ-CE1 3.91Å; F409-Y541 HydrophobicContact CZ-CE1 3.91Å; F409-N543 HydrophobicContact CD1-CB 4.13Å; F409-N543 WeakPolarHBondContact CD1-O 3.29Å; F409-N543 HydrophobicContact CE1-CB 3.43Å; F409-N543 VanDerWaalsContact CE1-CB 3.43Å; F409-N543 HydrophobicContact CE2-CB 4.34Å; F409-N543 HydrophobicContact CZ-CB 3.58Å; F409-N543 PolarHBondContact N-O 3.29Å; F409-N543 PolarHBondContact O-N 2.93Å; F409-I553 HydrophobicContact CD1-CD1 3.85Å; F409-I553 HydrophobicContact CD1-CG1 3.96Å; F409-I553 HydrophobicContact CD1-CG2 3.75Å; F409-I553 HydrophobicContact CE1-CB 4.47Å; F409-I553 HydrophobicContact CE1-CD1 3.31Å; F409-I553 HydrophobicContact CE1-CG1 3.46Å; F409-I553 VanDerWaalsContact CE1-CG1 3.46Å; F409-I553 HydrophobicContact CE1-CG2 4.15Å; F409-I553 HydrophobicContact CG-CG2 4.35Å; F409-I553 HydrophobicContact CZ-CD1 4.27Å; F409-I553 HydrophobicContact CZ-CG1 4.08Å; F409-F564 HydrophobicContact CE1-CZ 4.33Å; F409-F564 HydrophobicContact CE2-CE1 4.17Å; F409-F564 HydrophobicContact CE2-CE2 4.1Å; F409-F564 AromaticContact CE2-CZ 3.95Å; F409-F564 HydrophobicContact CE2-CZ 3.95Å; F409-F564 AromaticContact CZ-CE1 3.98Å; F409-F564 HydrophobicContact CZ-CE1 3.98Å; F409-F564 HydrophobicContact CZ-CE2 4.11Å; F409-F564 AromaticContact CZ-CZ 3.61Å; F409-F564 HydrophobicContact CZ-CZ 3.61Å
410	R	85.8	Confident	77.5	Confident	37 Å²	37	38 Å²	38	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.7	174.6	168.1	-179.1	98.5	172.7	15	108.7	W387 L398 Y399 E412 Y541 Y542	W387-R410 HydrophobicContact CD2-CB 4.41Å; W387-R410 HydrophobicContact CE3-CB 3.86Å; W387-R410 HydrophobicContact CH2-CB 3.79Å; W387-R410 HydrophobicContact CZ2-CB 4.34Å; W387-R410 HydrophobicContact CZ3-CB 3.53Å; L398-R410 CarbonylContact C-O 3.59Å; L398-R410 WeakPolarHBondContact CA-O 3.34Å; Y399-R410 HydrophobicContact CD2-CG 4.43Å; Y399-R410 PolarHBondContact N-O 2.96Å; Y399-R410 PolarHBondContact O-N 3.48Å; R410-E412 HydrophobicContact CG-CG 3.86Å; R410-E412 IonicContact CZ-OE1 2.85Å; R410-E412 IonicContact CZ-OE2 2.87Å; R410-E412 IonicContact NE-OE1 2.73Å; R410-E412 PolarHBondContact NE-OE1 3.46Å; R410-E412 IonicContact NE-OE2 3.79Å; R410-E412 IonicContact NH1-OE1 2.75Å; R410-E412 IonicContact NH2-OE1 2.94Å; R410-E412 PolarHBondContact NH2-OE1 3.3Å; R410-E412 IonicContact NH2-OE2 3.97Å; R410-E412 PolarHBondContact NH2-OE2 3.46Å; R410-Y541 CarbonylContact C-O 3.58Å; R410-Y541 WeakPolarHBondContact CA-O 3.47Å; R410-Y542 HydrophobicContact CB-CD1 3.85Å; R410-Y542 HydrophobicContact CB-CE1 3.96Å; R410-Y542 HydrophobicContact CB-CG 4.49Å; R410-Y542 VanDerWaalsContact CD-OH 3.25Å; R410-Y542 WeakPolarHBondContact CD-OH 3.44Å; R410-Y542 HydrophobicContact CG-CD1 3.99Å; R410-Y542 HydrophobicContact CG-CE1 3.72Å; R410-Y542 HydrophobicContact CG-CE2 4.4Å; R410-Y542 HydrophobicContact CG-CG 4.47Å; R410-Y542 PolarHBondContact NH1-OH 3.43Å
411	V	84.9	Confident	77.6	Confident	3 Å²	3	41 Å²	41	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.9	171.8	-173.3	0	0	0	0	108.3	V396 R397 L398 F409 S540 Y541 F568	V396-V411 HydrophobicContact CG1-CG1 3.53Å; R397-V411 CarbonylContact O-C 3.58Å; R397-V411 WeakPolarHBondContact O-CA 3.38Å; L398-V411 HydrophobicContact CD1-CG2 3.61Å; F409-V411 HydrophobicContact CD2-CG2 3.97Å; F409-V411 HydrophobicContact CE2-CG2 4.13Å; V411-S540 CarbonylContact O-C 3.54Å; V411-S540 VanDerWaalsContact O-CA 3.29Å; V411-S540 WeakPolarHBondContact O-CA 3.42Å; V411-Y541 PolarHBondContact N-O 2.81Å; V411-Y541 PolarHBondContact O-N 3.25Å; V411-F568 HydrophobicContact CB-CD1 4.46Å; V411-F568 HydrophobicContact CB-CD2 4.06Å; V411-F568 HydrophobicContact CB-CE1 4.12Å; V411-F568 HydrophobicContact CB-CE2 3.7Å; V411-F568 HydrophobicContact CB-CG 4.47Å; V411-F568 HydrophobicContact CB-CZ 3.78Å; V411-F568 HydrophobicContact CG1-CD1 3.93Å; V411-F568 HydrophobicContact CG1-CD2 3.63Å; V411-F568 HydrophobicContact CG1-CE1 4.09Å; V411-F568 HydrophobicContact CG1-CE2 3.82Å; V411-F568 HydrophobicContact CG1-CG 3.73Å; V411-F568 HydrophobicContact CG1-CZ 4.08Å; V411-F568 HydrophobicContact CG2-CD2 4.29Å; V411-F568 HydrophobicContact CG2-CE2 3.86Å; V411-F568 HydrophobicContact CG2-CZ 4.33Å
412	E	86.4	Confident	77.6	Confident	13 Å²	13	40.8 Å²	40.8	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.2	177.6	-51.8	-164.4	126.9	0	0	110.5	V396 R397 Y399 R410 L538 I539 S540	V396-E412 CarbonylContact C-O 3.46Å; V396-E412 VanDerWaalsContact CA-O 3.31Å; V396-E412 WeakPolarHBondContact CA-O 3.15Å; R397-E412 HydrophobicContact CB-CB 4.43Å; R397-E412 PolarHBondContact N-O 2.82Å; R397-E412 PolarHBondContact O-N 2.82Å; Y399-E412 HydrophobicContact CD2-CG 4.17Å; Y399-E412 HydrophobicContact CE2-CB 4.48Å; Y399-E412 HydrophobicContact CE2-CG 3.94Å; Y399-E412 WeakPolarHBondContact CE2-OE2 3.4Å; R410-E412 HydrophobicContact CG-CG 3.86Å; R410-E412 IonicContact CZ-OE1 2.85Å; R410-E412 IonicContact CZ-OE2 2.87Å; R410-E412 IonicContact NE-OE1 2.73Å; R410-E412 PolarHBondContact NE-OE1 3.46Å; R410-E412 IonicContact NE-OE2 3.79Å; R410-E412 IonicContact NH1-OE1 2.75Å; R410-E412 IonicContact NH2-OE1 2.94Å; R410-E412 PolarHBondContact NH2-OE1 3.3Å; R410-E412 IonicContact NH2-OE2 3.97Å; R410-E412 PolarHBondContact NH2-OE2 3.46Å; E412-L538 HydrophobicContact CB-CD1 4.24Å; E412-I539 VanDerWaalsContact CA-O 3.32Å; E412-I539 WeakPolarHBondContact CA-O 3.37Å; E412-S540 WeakPolarHBondContact CG-OG 3.38Å; E412-S540 PolarHBondContact OE1-OG 2.85Å
413	A	84.2	Confident	78.2	Confident	7 Å²	7	37.3 Å²	37.3	6%	0.058	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.8	173.3	0	0	0	0	0	110	V396 I539	V396-A413 HydrophobicContact CG2-CB 4.17Å; A413-I539 PolarHBondContact N-O 3.44Å; A413-I539 PolarHBondContact O-N 2.88Å
414	E	82.9	Confident	78.9	Confident	85 Å²	85	38 Å²	38	40%	0.397	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.7	171	-70.9	175.5	-171.5	0	0	109.5	L538	E414-L538 HydrophobicContact CG-CD1 3.78Å
415	V	81.8	Confident	79.9	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.6	-177.6	-173.6	0	0	0	0	109.9	V417 M536 S537 I539 L575	V415-V417 HydrophobicContact CG1-CB 4.27Å; V415-V417 HydrophobicContact CG1-CG2 3.91Å; V415-V417 PolarHBondContact O-N 2.88Å; V415-M536 CarbonylContact O-C 3.58Å; V415-M536 WeakPolarHBondContact O-CA 3.31Å; V415-S537 PolarHBondContact N-O 3.13Å; V415-S537 PolarHBondContact O-N 3.37Å; V415-I539 HydrophobicContact CB-CD1 4.17Å; V415-I539 HydrophobicContact CG2-CD1 3.73Å; V415-I539 HydrophobicContact CG2-CG1 4.38Å; V415-L575 HydrophobicContact CG1-CB 4.11Å; V415-L575 HydrophobicContact CG1-CD1 4.45Å
416	D	80.2	Confident	81	Confident	120 Å²	120	29.6 Å²	29.6	64%	0.642	15%	0.151	S	C	*	.	S	Bend	trans	-82.2	60	178.5	-167.8	22.8	0	0	0	111.8
417	V	81.3	Confident	81.4	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.151	C	C	.	.	S	Bend	trans	-142.3	138.1	178.5	177.5	0	0	0	0	109.6	V415 R421 A422 N535 S537 L575	V415-V417 HydrophobicContact CG1-CB 4.27Å; V415-V417 HydrophobicContact CG1-CG2 3.91Å; V415-V417 PolarHBondContact O-N 2.88Å; V417-R421 HydrophobicContact CG1-CB 3.98Å; V417-A422 HydrophobicContact CG1-CB 4.41Å; V417-N535 CarbonylContact C-O 3.57Å; V417-N535 PolarHBondContact N-O 2.81Å; V417-S537 VanDerWaalsContact O-CB 3.29Å; V417-S537 WeakPolarHBondContact O-CB 3.49Å; V417-S537 PolarHBondContact O-N 3.01Å; V417-S537 PolarHBondContact O-OG 2.79Å; V417-L575 HydrophobicContact CG2-CB 4.25Å; V417-L575 WeakPolarHBondContact CG2-O 3.24Å
418	P	83.3	Confident	81.6	Confident	28 Å²	28	32 Å²	32	18%	0.182	17%	0.165	C	C	.	.			trans	-58	138.4	174.8	-25.6	34.2	0	0	0	113	H420 R421 A422	P418-H420 VanDerWaalsContact C-N 3.27Å; P418-H420 PolarHBondContact O-N 3.34Å; P418-H420 VanDerWaalsContact O-N 3.16Å; P418-R421 PolarHBondContact O-N 3.02Å; P418-A422 PolarHBondContact O-N 3.39Å; P418-A422 VanDerWaalsContact O-N 3.12Å
419	A	80.6	Confident	81.2	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-36.1	-173.4	0	0	0	0	0	113.7	R421 A422 F423 Y499 I529 E531	A419-R421 PolarHBondContact O-N 2.9Å; A419-A422 PolarHBondContact O-N 3.2Å; A419-F423 WeakPolarHBondContact O-CB 3.38Å; A419-F423 PolarHBondContact O-N 3.14Å; A419-Y499 HydrophobicContact CB-CD2 4.04Å; A419-Y499 HydrophobicContact CB-CE2 3.8Å; A419-I529 HydrophobicContact CB-CG2 3.93Å; A419-E531 HydrophobicContact CB-CB 3.96Å; A419-E531 HydrophobicContact CB-CG 4.48Å
420	H	81.5	Confident	80.6	Confident	99 Å²	99	34.1 Å²	34.1	46%	0.458	18%	0.18	S	C	.	.	H	α-helix	trans	-64.6	-38.7	177.8	74.6	-87.7	0	0	0	112.8	P418 F423 C424	P418-H420 VanDerWaalsContact C-N 3.27Å; P418-H420 PolarHBondContact O-N 3.34Å; P418-H420 VanDerWaalsContact O-N 3.16Å; H420-F423 PolarHBondContact O-N 2.99Å; H420-C424 PolarHBondContact O-N 3.2Å; H420-C424 VanDerWaalsContact O-N 3.16Å; H420-C424 PolarHBondContact O-SG 3.29Å; H420-C424 VanDerWaalsContact O-SG 3.38Å
421	R	81.1	Confident	80	Confident	72 Å²	72	35.5 Å²	35.5	27%	0.272	19%	0.19	S	C	.	.	H	α-helix	trans	-72	-43.6	177.6	-71.2	-161.1	174.4	-164.5	-11.4	111.1	V417 P418 A419 F423 C424 L425 G579 L581	V417-R421 HydrophobicContact CG1-CB 3.98Å; P418-R421 PolarHBondContact O-N 3.02Å; A419-R421 PolarHBondContact O-N 2.9Å; R421-F423 PolarHBondContact O-N 3.45Å; R421-C424 PolarHBondContact O-N 3.17Å; R421-L425 WeakPolarHBondContact O-CG 3.43Å; R421-L425 PolarHBondContact O-N 3.35Å; R421-G579 PolarHBondContact NH1-O 3.01Å; R421-L581 PolarHBondContact NH1-O 2.94Å
422	A	80.5	Confident	79.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-39.8	175.1	0	0	0	0	0	111.1	V417 P418 A419 L425 L426 I529	V417-A422 HydrophobicContact CG1-CB 4.41Å; P418-A422 PolarHBondContact O-N 3.39Å; P418-A422 VanDerWaalsContact O-N 3.12Å; A419-A422 PolarHBondContact O-N 3.2Å; A422-L425 PolarHBondContact O-N 2.9Å; A422-L426 VanDerWaalsContact O-CB 3.3Å; A422-L426 WeakPolarHBondContact O-CB 3.27Å; A422-L426 VanDerWaalsContact O-CG 3.29Å; A422-L426 WeakPolarHBondContact O-CG 3.12Å; A422-L426 PolarHBondContact O-N 3.32Å; A422-I529 HydrophobicContact CB-CD1 4.2Å; A422-I529 HydrophobicContact CB-CG2 4.24Å
423	F	82.3	Confident	78.7	Confident	11 Å²	11	38 Å²	38	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-48.7	174.8	176.9	-104.1	0	0	0	112.8	A419 H420 R421 L425 L426 A427 R489 K491 Y499 I501 I529	A419-F423 WeakPolarHBondContact O-CB 3.38Å; A419-F423 PolarHBondContact O-N 3.14Å; H420-F423 PolarHBondContact O-N 2.99Å; R421-F423 PolarHBondContact O-N 3.45Å; F423-L425 VanDerWaalsContact C-N 3.33Å; F423-L425 PolarHBondContact O-N 3.13Å; F423-L426 PolarHBondContact O-N 3.41Å; F423-A427 WeakPolarHBondContact O-CB 3.37Å; F423-A427 PolarHBondContact O-N 2.71Å; F423-R489 HydrophobicContact CE2-CB 3.9Å; F423-R489 HydrophobicContact CZ-CB 3.66Å; F423-R489 HydrophobicContact CZ-CG 3.79Å; F423-K491 HydrophobicContact CE1-CG 4.35Å; F423-Y499 HydrophobicContact CB-CD1 3.84Å; F423-Y499 HydrophobicContact CB-CE1 4.43Å; F423-Y499 HydrophobicContact CB-CG 4.1Å; F423-Y499 AromaticContact CD1-CD1 3.96Å; F423-Y499 HydrophobicContact CD1-CD1 3.96Å; F423-Y499 HydrophobicContact CD1-CE1 4.41Å; F423-Y499 AromaticContact CD2-CD1 3.77Å; F423-Y499 HydrophobicContact CD2-CD1 3.77Å; F423-Y499 HydrophobicContact CD2-CG 4.07Å; F423-Y499 HydrophobicContact CE1-CD1 4.43Å; F423-Y499 HydrophobicContact CE2-CD1 4.24Å; F423-Y499 AromaticContact CG-CD1 3.58Å; F423-Y499 HydrophobicContact CG-CD1 3.58Å; F423-Y499 HydrophobicContact CG-CE1 4.35Å; F423-Y499 HydrophobicContact CG-CG 4.13Å; F423-I501 HydrophobicContact CD2-CD1 4.03Å; F423-I501 HydrophobicContact CD2-CG1 3.93Å; F423-I501 HydrophobicContact CE2-CD1 4.34Å; F423-I501 HydrophobicContact CE2-CG1 3.8Å; F423-I529 HydrophobicContact CB-CD1 4.03Å
424	C	80.8	Confident	78	Confident	83 Å²	83	41 Å²	41	56%	0.561	23%	0.225	S	C	*	.	H	α-helix	trans	-61	-41.8	178.7	-66.7	0	0	0	0	112.2	H420 R421	H420-C424 PolarHBondContact O-N 3.2Å; H420-C424 VanDerWaalsContact O-N 3.16Å; H420-C424 PolarHBondContact O-SG 3.29Å; H420-C424 VanDerWaalsContact O-SG 3.38Å; R421-C424 PolarHBondContact O-N 3.17Å
425	L	79.1	Confident	77.5	Confident	38 Å²	38	37.6 Å²	37.6	20%	0.199	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-36.1	-178.9	-70	171.8	0	0	0	113.2	R421 A422 F423 Y574 L575 N578	R421-L425 WeakPolarHBondContact O-CG 3.43Å; R421-L425 PolarHBondContact O-N 3.35Å; A422-L425 PolarHBondContact O-N 2.9Å; F423-L425 VanDerWaalsContact C-N 3.33Å; F423-L425 PolarHBondContact O-N 3.13Å; L425-Y574 HydrophobicContact CB-CE1 4.38Å; L425-Y574 HydrophobicContact CD2-CE1 4.49Å; L425-L575 HydrophobicContact CB-CD2 3.92Å; L425-L575 HydrophobicContact CD1-CD2 3.83Å; L425-N578 HydrophobicContact CD1-CB 3.78Å; L425-N578 HydrophobicContact CD2-CB 4.15Å
426	L	78.6	Confident	77.1	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-85.6	-20.8	-179.9	-67.8	174.9	0	0	0	113.3	A422 F423 D428 W435 I501 F527 I529 I539 L575	A422-L426 VanDerWaalsContact O-CB 3.3Å; A422-L426 WeakPolarHBondContact O-CB 3.27Å; A422-L426 VanDerWaalsContact O-CG 3.29Å; A422-L426 WeakPolarHBondContact O-CG 3.12Å; A422-L426 PolarHBondContact O-N 3.32Å; F423-L426 PolarHBondContact O-N 3.41Å; L426-D428 VanDerWaalsContact C-N 3.33Å; L426-W435 HydrophobicContact CD2-CZ2 3.88Å; L426-I501 HydrophobicContact CB-CD1 3.76Å; L426-F527 HydrophobicContact CD1-CD1 4.48Å; L426-I529 HydrophobicContact CD1-CD1 3.89Å; L426-I529 HydrophobicContact CD1-CG1 4.44Å; L426-I539 HydrophobicContact CD1-CD1 4.28Å; L426-I539 HydrophobicContact CD1-CG2 4.15Å; L426-L575 HydrophobicContact CD1-CD1 4.46Å; L426-L575 HydrophobicContact CG-CD2 4.32Å
427	A	75.7	Confident	76.4	Confident	7 Å²	7	38.6 Å²	38.6	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-72	-27.6	177.2	0	0	0	0	0	112.7	F423 L429 I501	F423-A427 WeakPolarHBondContact O-CB 3.37Å; F423-A427 PolarHBondContact O-N 2.71Å; A427-L429 PolarHBondContact O-N 2.91Å; A427-I501 HydrophobicContact CB-CD1 4.21Å
428	D	77.2	Confident	75.8	Confident	55 Å²	55	40.5 Å²	40.5	29%	0.294	22%	0.22	S	C	.	.			trans	-84	95.7	173.5	-171.3	-1.7	0	0	0	110.7	L426 S430 N431	L426-D428 VanDerWaalsContact C-N 3.33Å; D428-S430 PolarHBondContact O-N 3.45Å; D428-S430 WeakPolarHBondContact OD1-CB 3.1Å; D428-S430 PolarHBondContact OD1-N 3.09Å; D428-S430 PolarHBondContact OD1-OG 2.63Å; D428-N431 PolarHBondContact O-N 3.28Å; D428-N431 PolarHBondContact OD2-ND2 2.99Å
429	L	73.8	Confident	75.2	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-67.6	-14.2	179	-67.4	179.6	0	0	0	113.2	A427 N431 R432 C442 Y455 A487 L503	A427-L429 PolarHBondContact O-N 2.91Å; L429-N431 VanDerWaalsContact C-N 3.32Å; L429-R432 VanDerWaalsContact O-CB 3.23Å; L429-R432 WeakPolarHBondContact O-CB 3.28Å; L429-R432 PolarHBondContact O-N 3.26Å; L429-C442 PolarHBondContact O-SG 3.06Å; L429-Y455 HydrophobicContact CB-CD1 4.3Å; L429-Y455 HydrophobicContact CB-CD2 4.26Å; L429-Y455 HydrophobicContact CB-CE1 4.17Å; L429-Y455 HydrophobicContact CB-CE2 4.09Å; L429-Y455 HydrophobicContact CB-CG 4.34Å; L429-Y455 HydrophobicContact CD1-CD2 3.58Å; L429-Y455 HydrophobicContact CD1-CE2 3.78Å; L429-Y455 HydrophobicContact CD1-CG 4.18Å; L429-Y455 HydrophobicContact CG-CD2 4.41Å; L429-Y455 HydrophobicContact CG-CE2 4.21Å; L429-A487 HydrophobicContact CD1-CB 3.59Å; L429-L503 HydrophobicContact CD1-CD2 3.71Å; L429-L503 HydrophobicContact CD2-CD2 4.42Å
430	S	71.1	Confident	74.6	Confident	44 Å²	44	46.7 Å²	46.7	31%	0.308	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-67.5	-37.5	177.2	-40.5	0	0	0	0	110.9	D428 R432 T433	D428-S430 PolarHBondContact O-N 3.45Å; D428-S430 WeakPolarHBondContact OD1-CB 3.1Å; D428-S430 PolarHBondContact OD1-N 3.09Å; D428-S430 PolarHBondContact OD1-OG 2.63Å; S430-R432 PolarHBondContact O-N 3.43Å; S430-T433 PolarHBondContact O-OG1 3.12Å
431	N	72.7	Confident	74.2	Confident	67 Å²	67	47.3 Å²	47.3	36%	0.358	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-77.8	-8.5	179.6	-63.8	-31.5	0	0	0	113.1	D428 L429 T433 S434	D428-N431 PolarHBondContact O-N 3.28Å; D428-N431 PolarHBondContact OD2-ND2 2.99Å; L429-N431 VanDerWaalsContact C-N 3.32Å; N431-T433 PolarHBondContact O-N 3.48Å; N431-S434 WeakPolarHBondContact O-CB 3.03Å; N431-S434 PolarHBondContact O-N 3.12Å; N431-S434 VanDerWaalsContact O-N 3.13Å; N431-S434 PolarHBondContact O-OG 2.86Å
432	R	74.7	Confident	74	Confident	13 Å²	13	44.9 Å²	44.9	5%	0.049	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-64.4	-26.5	-179.8	-171.5	164.6	177.4	167.8	3.3	113.2	L429 S430 S434 W435 D436 Y439	L429-R432 VanDerWaalsContact O-CB 3.23Å; L429-R432 WeakPolarHBondContact O-CB 3.28Å; L429-R432 PolarHBondContact O-N 3.26Å; S430-R432 PolarHBondContact O-N 3.43Å; R432-S434 PolarHBondContact O-N 3.33Å; R432-W435 HydrophobicContact CB-CZ2 4.44Å; R432-W435 HydrophobicContact CG-CH2 4.14Å; R432-W435 HydrophobicContact CG-CZ2 3.72Å; R432-W435 PolarHBondContact O-N 2.87Å; R432-D436 HydrophobicContact CG-CB 3.73Å; R432-D436 IonicContact CZ-OD2 3.73Å; R432-D436 IonicContact NE-OD2 3.77Å; R432-D436 PolarHBondContact NE-OD2 3.22Å; R432-D436 IonicContact NH2-OD2 2.92Å; R432-D436 PolarHBondContact NH2-OD2 3.26Å; R432-D436 VanDerWaalsContact O-CB 3.27Å; R432-D436 WeakPolarHBondContact O-CB 3.18Å; R432-D436 PolarHBondContact O-N 3Å; R432-Y439 HydrophobicContact CB-CD1 4.38Å; R432-Y439 HydrophobicContact CG-CD1 4.14Å; R432-Y439 HydrophobicContact CG-CD2 4.39Å; R432-Y439 HydrophobicContact CG-CE1 4.34Å; R432-Y439 HydrophobicContact CG-CG 4.18Å; R432-Y439 PolarHBondContact NH1-OH 2.76Å
433	T	69.3	Low	73.9	Confident	54 Å²	54	48.3 Å²	48.3	33%	0.331	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-61.3	-22.5	174.6	56.6	0	0	0	0	113.2	S430 N431 C442	S430-T433 PolarHBondContact O-OG1 3.12Å; N431-T433 PolarHBondContact O-N 3.48Å; T433-C442 HydrophobicContact CG2-CB 4.09Å
434	S	68.8	Low	73.8	Confident	71 Å²	71	52.1 Å²	52.1	50%	0.497	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-75	-22.2	-178.3	68.5	0	0	0	0	114.1	N431 R432 Y574	N431-S434 WeakPolarHBondContact O-CB 3.03Å; N431-S434 PolarHBondContact O-N 3.12Å; N431-S434 VanDerWaalsContact O-N 3.13Å; N431-S434 PolarHBondContact O-OG 2.86Å; R432-S434 PolarHBondContact O-N 3.33Å; S434-Y574 WeakPolarHBondContact OG-CE2 2.96Å
435	W	72.3	Confident	73.6	Confident	14 Å²	14	50.5 Å²	50.5	5%	0.053	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-18.3	-176.1	60.7	-97.2	0	0	0	114.2	L426 R432 F527 T567 C571 Y574	L426-W435 HydrophobicContact CD2-CZ2 3.88Å; R432-W435 HydrophobicContact CB-CZ2 4.44Å; R432-W435 HydrophobicContact CG-CH2 4.14Å; R432-W435 HydrophobicContact CG-CZ2 3.72Å; R432-W435 PolarHBondContact O-N 2.87Å; W435-F527 HydrophobicContact CH2-CZ 4.15Å; W435-T567 HydrophobicContact CE3-CG2 4.15Å; W435-T567 HydrophobicContact CZ3-CG2 3.96Å; W435-C571 HydrophobicContact CD2-CB 4.1Å; W435-C571 HydrophobicContact CE3-CB 3.56Å; W435-C571 HydrophobicContact CH2-CB 4.23Å; W435-C571 HydrophobicContact CZ3-CB 3.64Å; W435-Y574 HydrophobicContact CB-CG 4.45Å; W435-Y574 AromaticContact CD1-CD1 3.77Å; W435-Y574 AromaticContact CD1-CD2 3.99Å; W435-Y574 AromaticContact CD1-CG 3.72Å; W435-Y574 HydrophobicContact CG-CG 4.27Å
436	D	73.7	Confident	73.4	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	27%	0.273	C	S	.	.			trans	-101.4	103.2	178.1	-162.7	-19.8	0	0	0	110.6	R432 H438 Y439 T567	R432-D436 HydrophobicContact CG-CB 3.73Å; R432-D436 IonicContact CZ-OD2 3.73Å; R432-D436 IonicContact NE-OD2 3.77Å; R432-D436 PolarHBondContact NE-OD2 3.22Å; R432-D436 IonicContact NH2-OD2 2.92Å; R432-D436 PolarHBondContact NH2-OD2 3.26Å; R432-D436 VanDerWaalsContact O-CB 3.27Å; R432-D436 WeakPolarHBondContact O-CB 3.18Å; R432-D436 PolarHBondContact O-N 3Å; D436-H438 PolarHBondContact O-N 3.33Å; D436-H438 VanDerWaalsContact O-N 3.09Å; D436-H438 WeakPolarHBondContact OD1-CB 3.47Å; D436-H438 IonicContact OD1-CE1 3.14Å; D436-H438 IonicContact OD1-CG 3.86Å; D436-H438 PolarHBondContact OD1-N 2.87Å; D436-H438 VanDerWaalsContact OD1-N 3.16Å; D436-H438 IonicContact OD1-ND1 3.95Å; D436-H438 PolarHBondContact OD1-ND1 2.92Å; D436-Y439 HydrophobicContact CB-CD2 4.09Å; D436-Y439 HydrophobicContact CB-CG 4.5Å; D436-Y439 PolarHBondContact O-N 2.81Å; D436-Y439 WeakPolarHBondContact OD2-CD2 3.49Å; D436-Y439 WeakPolarHBondContact OD2-CE2 3.26Å; D436-T567 HydrophobicContact CB-CG2 4.33Å
437	M	66	Low	73.3	Confident	142 Å²	142	55.1 Å²	55.1	70%	0.7	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.3	179.2	-68.6	-65.1	98	0	0	113.8	Y439	M437-Y439 VanDerWaalsContact C-N 3.32Å
438	H	69.1	Low	73.2	Confident	41 Å²	41	55.8 Å²	55.8	19%	0.19	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.4	175.4	-50.7	92.9	0	0	0	112.2	D436 T459 P460 T567	D436-H438 PolarHBondContact O-N 3.33Å; D436-H438 VanDerWaalsContact O-N 3.09Å; D436-H438 WeakPolarHBondContact OD1-CB 3.47Å; D436-H438 IonicContact OD1-CE1 3.14Å; D436-H438 IonicContact OD1-CG 3.86Å; D436-H438 PolarHBondContact OD1-N 2.87Å; D436-H438 VanDerWaalsContact OD1-N 3.16Å; D436-H438 IonicContact OD1-ND1 3.95Å; D436-H438 PolarHBondContact OD1-ND1 2.92Å; H438-T459 WeakPolarHBondContact O-CA 3.38Å; H438-T459 VanDerWaalsContact O-CB 3.32Å; H438-T459 WeakPolarHBondContact O-CB 3.33Å; H438-T459 VanDerWaalsContact O-CG2 3.26Å; H438-T459 WeakPolarHBondContact O-CG2 3.43Å; H438-P460 WeakPolarHBondContact O-CD 3.12Å; H438-T567 PolarHBondContact CE1-OG1 2.97Å
439	Y	70.6	Confident	73.2	Confident	27 Å²	27	56.2 Å²	56.2	11%	0.106	30%	0.297	C	S	.	.			trans	-99.4	97.4	-178.4	-80.2	-120.9	0	0	0	109.9	R432 D436 M437 V457	R432-Y439 HydrophobicContact CB-CD1 4.38Å; R432-Y439 HydrophobicContact CG-CD1 4.14Å; R432-Y439 HydrophobicContact CG-CD2 4.39Å; R432-Y439 HydrophobicContact CG-CE1 4.34Å; R432-Y439 HydrophobicContact CG-CG 4.18Å; R432-Y439 PolarHBondContact NH1-OH 2.76Å; D436-Y439 HydrophobicContact CB-CD2 4.09Å; D436-Y439 HydrophobicContact CB-CG 4.5Å; D436-Y439 PolarHBondContact O-N 2.81Å; D436-Y439 WeakPolarHBondContact OD2-CD2 3.49Å; D436-Y439 WeakPolarHBondContact OD2-CE2 3.26Å; M437-Y439 VanDerWaalsContact C-N 3.32Å; Y439-V457 HydrophobicContact CD1-CB 4.45Å; Y439-V457 HydrophobicContact CD1-CG1 3.42Å; Y439-V457 VanDerWaalsContact CD1-CG1 3.42Å; Y439-V457 HydrophobicContact CD1-CG2 4.18Å; Y439-V457 HydrophobicContact CE1-CB 4.16Å; Y439-V457 HydrophobicContact CE1-CG1 3.37Å; Y439-V457 HydrophobicContact CE1-CG2 3.65Å; Y439-V457 HydrophobicContact CE2-CG1 4.45Å; Y439-V457 HydrophobicContact CG-CG1 4.01Å
440	K	68.3	Low	73.2	Confident	132 Å²	132	62.9 Å²	62.9	57%	0.574	33%	0.332	S	S	*	.	S	Bend	trans	-78.3	-38.7	176.3	-78.5	-176	174	-174.2	0	112.6	V458 P460 L480	K440-V458 PolarHBondContact N-O 2.98Å; K440-P460 HydrophobicContact CD-CB 4.42Å; K440-L480 HydrophobicContact CD-CD2 4.12Å
441	K	73.5	Confident	73.6	Confident	112 Å²	112	63.3 Å²	63.3	49%	0.487	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.5	179	-153.4	-176.7	-167.2	-169.3	0	109.6	E443 V457 V458	K441-E443 HydrophobicContact CD-CG 4.29Å; K441-E443 WeakPolarHBondContact CE-OE1 3.14Å; K441-E443 HydrophobicContact CG-CG 4.35Å; K441-E443 IonicContact NZ-OE1 3.02Å; K441-E443 PolarHBondContact NZ-OE1 2.74Å; K441-V457 CarbonylContact O-C 3.56Å; K441-V457 WeakPolarHBondContact O-CA 3.24Å; K441-V458 HydrophobicContact CB-CB 3.96Å; K441-V458 HydrophobicContact CB-CG2 4.19Å; K441-V458 PolarHBondContact N-O 2.86Å; K441-V458 PolarHBondContact O-N 2.85Å
442	C	75.5	Confident	74.1	Confident	21 Å²	21	60.1 Å²	60.1	14%	0.142	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	117.2	173.6	-169.3	0	0	0	0	107.7	L429 T433 R456	L429-C442 PolarHBondContact O-SG 3.06Å; T433-C442 HydrophobicContact CG2-CB 4.09Å; C442-R456 CarbonylContact C-O 3.53Å; C442-R456 WeakPolarHBondContact CA-O 3.27Å
443	E	79.9	Confident	74.5	Confident	72 Å²	72	61.4 Å²	61.4	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.1	179.3	-62.9	177.5	160.6	0	0	109.3	K441 I445 Y455 R456	K441-E443 HydrophobicContact CD-CG 4.29Å; K441-E443 WeakPolarHBondContact CE-OE1 3.14Å; K441-E443 HydrophobicContact CG-CG 4.35Å; K441-E443 IonicContact NZ-OE1 3.02Å; K441-E443 PolarHBondContact NZ-OE1 2.74Å; E443-I445 PolarHBondContact O-N 3.09Å; E443-Y455 CarbonylContact O-C 3.57Å; E443-Y455 WeakPolarHBondContact O-CA 3.19Å; E443-R456 HydrophobicContact CB-CB 4.34Å; E443-R456 PolarHBondContact N-O 2.84Å; E443-R456 PolarHBondContact O-N 2.86Å
444	L	79.4	Confident	75.2	Confident	90 Å²	90	58.9 Å²	58.9	47%	0.471	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120	171.6	-179.4	69.3	0	0	0	109	F453 Y455	L444-F453 HydrophobicContact CD1-CB 3.9Å; L444-F453 HydrophobicContact CD1-CD1 4.05Å; L444-F453 HydrophobicContact CD1-CG 4.4Å; L444-Y455 HydrophobicContact CB-CD1 4.12Å; L444-Y455 HydrophobicContact CB-CE1 3.95Å; L444-Y455 HydrophobicContact CD1-CD1 3.98Å; L444-Y455 HydrophobicContact CD1-CD2 4.46Å; L444-Y455 HydrophobicContact CD1-CE1 3.59Å; L444-Y455 HydrophobicContact CD1-CE2 4.16Å; L444-Y455 HydrophobicContact CD1-CG 4.4Å; L444-Y455 HydrophobicContact CG-CE1 4.35Å
445	I	77.4	Confident	75.9	Confident	49 Å²	49	56 Å²	56	25%	0.251	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-51.3	176.3	-52.6	-179.6	0	0	0	109.7	E443 I454 R456 I484 L508	E443-I445 PolarHBondContact O-N 3.09Å; I445-I454 HydrophobicContact CB-CG2 4.39Å; I445-I454 HydrophobicContact CD1-CG2 4.19Å; I445-I454 PolarHBondContact N-O 3.45Å; I445-R456 HydrophobicContact CD1-CB 3.87Å; I445-R456 HydrophobicContact CG1-CB 3.94Å; I445-I484 HydrophobicContact CD1-CG1 4.4Å; I445-I484 HydrophobicContact CD1-CG2 4.24Å; I445-L508 HydrophobicContact CD1-CD1 4.19Å; I445-L508 HydrophobicContact CG2-CD1 4.33Å
446	H	75.1	Confident	76.4	Confident	101 Å²	101	58 Å²	58	47%	0.468	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	128.5	-171.8	-168.5	-81.7	0	0	0	111.1	I454	H446-I454 HydrophobicContact CB-CB 4.43Å; H446-I454 PolarHBondContact N-O 2.78Å; H446-I454 PolarHBondContact O-N 3.32Å
447	G	76.5	Confident	76.7	Confident	40 Å²	40	57.9 Å²	57.9	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	112.3	163.7	0	0	0	0	0	108.9
448	V	73.1	Confident	77.2	Confident	20 Å²	20	51.6 Å²	51.6	12%	0.121	26%	0.259	C	S	.	.			trans	-78.7	-47.7	-176.4	179	0	0	0	0	109.8	W362 Q367 D452 I454	W362-V448 HydrophobicContact CH2-CB 4.28Å; W362-V448 HydrophobicContact CH2-CG1 3.78Å; W362-V448 HydrophobicContact CH2-CG2 3.56Å; W362-V448 HydrophobicContact CZ2-CB 4.3Å; W362-V448 HydrophobicContact CZ2-CG1 3.82Å; W362-V448 HydrophobicContact CZ2-CG2 3.46Å; W362-V448 VanDerWaalsContact CZ2-CG2 3.46Å; Q367-V448 HydrophobicContact CB-CG1 4.01Å; Q367-V448 HydrophobicContact CG-CG1 4.36Å; V448-D452 HydrophobicContact CB-CB 4.16Å; V448-D452 WeakPolarHBondContact CB-O 2.92Å; V448-D452 PolarHBondContact N-O 2.73Å; V448-I454 HydrophobicContact CG2-CD1 3.93Å; V448-I454 HydrophobicContact CG2-CG1 3.96Å
449	D	76.4	Confident	77.3	Confident	65 Å²	65	50.4 Å²	50.4	35%	0.348	26%	0.255	S	S	.	.	S	Bend	trans	-148.1	-169.8	172.2	64	28.1	0	0	0	110.1	D451 D452	D449-D451 PolarHBondContact O-N 2.66Å; D449-D451 VanDerWaalsContact OD1-C 3.31Å; D449-D451 WeakPolarHBondContact OD1-CA 3.18Å; D449-D451 PolarHBondContact OD1-N 3.08Å; D449-D452 PolarHBondContact N-O 3.29Å; D449-D452 WeakPolarHBondContact OD1-CA 3.36Å; D449-D452 WeakPolarHBondContact OD1-CB 3.33Å; D449-D452 PolarHBondContact OD1-N 2.9Å; D449-D452 VanDerWaalsContact OD2-OD2 3.07Å
450	D	74.3	Confident	77.1	Confident	141 Å²	141	50.8 Å²	50.8	75%	0.754	26%	0.261	S	S	*	.	S	Bend	trans	-64.8	-16.4	-179.9	-69.6	-29.1	0	0	0	113.3	R489	D450-R489 PolarHBondContact O-NE 2.83Å; D450-R489 PolarHBondContact O-NH2 3.38Å
451	D	79.1	Confident	76.5	Confident	54 Å²	54	45.9 Å²	45.9	29%	0.289	24%	0.243	S	C	.	.	S	Bend	trans	-125.9	-6.5	-172.2	-79.2	-33.4	0	0	0	114.3	D449 R489	D449-D451 PolarHBondContact O-N 2.66Å; D449-D451 VanDerWaalsContact OD1-C 3.31Å; D449-D451 WeakPolarHBondContact OD1-CA 3.18Å; D449-D451 PolarHBondContact OD1-N 3.08Å; D451-R489 HydrophobicContact CB-CG 3.98Å; D451-R489 WeakPolarHBondContact CB-O 3.48Å; D451-R489 WeakPolarHBondContact O-CG 3.4Å; D451-R489 PolarHBondContact O-N 2.9Å; D451-R489 WeakPolarHBondContact OD1-CG 3.27Å; D451-R489 IonicContact OD1-NE 3.32Å; D451-R489 PolarHBondContact OD1-NE 3.25Å; D451-R489 VanDerWaalsContact OD1-NE 3.14Å
452	D	83	Confident	75.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.1	-174.3	-62.3	-45.2	0	0	0	110.7	S371 V448 D449 A487 S488 R490	S371-D452 WeakPolarHBondContact CB-OD2 3.38Å; S371-D452 PolarHBondContact OG-OD1 3.39Å; S371-D452 PolarHBondContact OG-OD2 2.82Å; V448-D452 HydrophobicContact CB-CB 4.16Å; V448-D452 WeakPolarHBondContact CB-O 2.92Å; V448-D452 PolarHBondContact N-O 2.73Å; D449-D452 PolarHBondContact N-O 3.29Å; D449-D452 WeakPolarHBondContact OD1-CA 3.36Å; D449-D452 WeakPolarHBondContact OD1-CB 3.33Å; D449-D452 PolarHBondContact OD1-N 2.9Å; D449-D452 VanDerWaalsContact OD2-OD2 3.07Å; D452-A487 WeakPolarHBondContact CA-O 3.41Å; D452-S488 WeakPolarHBondContact OD1-CA 3.2Å; D452-S488 WeakPolarHBondContact OD1-CB 3.3Å; D452-S488 PolarHBondContact OD1-OG 3.49Å; D452-R490 IonicContact OD1-CZ 2.9Å; D452-R490 IonicContact OD1-NH1 2.99Å; D452-R490 PolarHBondContact OD1-NH1 2.64Å; D452-R490 IonicContact OD1-NH2 2.77Å; D452-R490 PolarHBondContact OD1-NH2 3.19Å; D452-R490 IonicContact OD2-CZ 2.81Å; D452-R490 IonicContact OD2-NH1 3.43Å; D452-R490 IonicContact OD2-NH2 3.14Å; D452-R490 PolarHBondContact OD2-NH2 2.68Å
453	F	84.1	Confident	74.3	Confident	39 Å²	39	52.1 Å²	52.1	17%	0.171	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.1	-173.1	-59.5	-86.7	0	0	0	110.5	L444 Y455 A487	L444-F453 HydrophobicContact CD1-CB 3.9Å; L444-F453 HydrophobicContact CD1-CD1 4.05Å; L444-F453 HydrophobicContact CD1-CG 4.4Å; F453-Y455 HydrophobicContact CB-CD2 4.08Å; F453-Y455 HydrophobicContact CB-CE2 3.36Å; F453-Y455 HydrophobicContact CG-CE2 4.28Å; F453-A487 PolarHBondContact N-O 3.32Å; F453-A487 PolarHBondContact O-N 3.33Å
454	I	83.8	Confident	72.3	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.5	175.4	-57.4	174.7	0	0	0	109.3	W362 I445 H446 V448 I484 L485 L486 V506 L508	W362-I454 HydrophobicContact CD2-CD1 3.7Å; W362-I454 HydrophobicContact CE3-CD1 3.98Å; W362-I454 HydrophobicContact CG-CD1 4.26Å; W362-I454 HydrophobicContact CH2-CD1 4.18Å; W362-I454 HydrophobicContact CZ2-CD1 3.89Å; W362-I454 HydrophobicContact CZ3-CD1 4.21Å; I445-I454 HydrophobicContact CB-CG2 4.39Å; I445-I454 HydrophobicContact CD1-CG2 4.19Å; I445-I454 PolarHBondContact N-O 3.45Å; H446-I454 HydrophobicContact CB-CB 4.43Å; H446-I454 PolarHBondContact N-O 2.78Å; H446-I454 PolarHBondContact O-N 3.32Å; V448-I454 HydrophobicContact CG2-CD1 3.93Å; V448-I454 HydrophobicContact CG2-CG1 3.96Å; I454-I484 HydrophobicContact CG2-CG2 3.7Å; I454-L485 CarbonylContact C-O 3.53Å; I454-L485 WeakPolarHBondContact CA-O 3.46Å; I454-L486 HydrophobicContact CG1-CD1 3.89Å; I454-V506 HydrophobicContact CG2-CG2 4.29Å; I454-L508 HydrophobicContact CG2-CD1 4.1Å
455	Y	82.6	Confident	70	Confident	11 Å²	11	54.8 Å²	54.8	4%	0.043	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.4	-179.5	-65.5	-91.2	0	0	0	111.8	L429 E443 L444 F453 I484 L485 A487	L429-Y455 HydrophobicContact CB-CD1 4.3Å; L429-Y455 HydrophobicContact CB-CD2 4.26Å; L429-Y455 HydrophobicContact CB-CE1 4.17Å; L429-Y455 HydrophobicContact CB-CE2 4.09Å; L429-Y455 HydrophobicContact CB-CG 4.34Å; L429-Y455 HydrophobicContact CD1-CD2 3.58Å; L429-Y455 HydrophobicContact CD1-CE2 3.78Å; L429-Y455 HydrophobicContact CD1-CG 4.18Å; L429-Y455 HydrophobicContact CG-CD2 4.41Å; L429-Y455 HydrophobicContact CG-CE2 4.21Å; E443-Y455 CarbonylContact O-C 3.57Å; E443-Y455 WeakPolarHBondContact O-CA 3.19Å; L444-Y455 HydrophobicContact CB-CD1 4.12Å; L444-Y455 HydrophobicContact CB-CE1 3.95Å; L444-Y455 HydrophobicContact CD1-CD1 3.98Å; L444-Y455 HydrophobicContact CD1-CD2 4.46Å; L444-Y455 HydrophobicContact CD1-CE1 3.59Å; L444-Y455 HydrophobicContact CD1-CE2 4.16Å; L444-Y455 HydrophobicContact CD1-CG 4.4Å; L444-Y455 HydrophobicContact CG-CE1 4.35Å; F453-Y455 HydrophobicContact CB-CD2 4.08Å; F453-Y455 HydrophobicContact CB-CE2 3.36Å; F453-Y455 HydrophobicContact CG-CE2 4.28Å; Y455-I484 CarbonylContact O-C 3.41Å; Y455-I484 WeakPolarHBondContact O-CA 2.98Å; Y455-L485 PolarHBondContact N-O 3.39Å; Y455-L485 PolarHBondContact O-N 3.23Å; Y455-A487 HydrophobicContact CD2-CB 4.01Å; Y455-A487 HydrophobicContact CE2-CB 3.97Å
456	R	82.7	Confident	67.8	Low	56 Å²	56	55.1 Å²	55.1	21%	0.211	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.6	162.7	-169.2	-179.1	-177.2	-170.3	1.8	108.7	C442 E443 I445 D482 F483	C442-R456 CarbonylContact C-O 3.53Å; C442-R456 WeakPolarHBondContact CA-O 3.27Å; E443-R456 HydrophobicContact CB-CB 4.34Å; E443-R456 PolarHBondContact N-O 2.84Å; E443-R456 PolarHBondContact O-N 2.86Å; I445-R456 HydrophobicContact CD1-CB 3.87Å; I445-R456 HydrophobicContact CG1-CB 3.94Å; R456-D482 IonicContact CZ-OD2 2.74Å; R456-D482 IonicContact NE-OD2 2.85Å; R456-D482 IonicContact NH2-OD2 3.33Å; R456-D482 PolarHBondContact NH2-OD2 2.83Å; R456-F483 CarbonylContact C-O 3.52Å; R456-F483 WeakPolarHBondContact CA-O 3.2Å
457	V	80.3	Confident	65.6	Low	1 Å²	1	53.9 Å²	53.9	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.5	177.8	178.5	0	0	0	0	109.1	Y439 K441 T459 D482 F483 L485	Y439-V457 HydrophobicContact CD1-CB 4.45Å; Y439-V457 HydrophobicContact CD1-CG1 3.42Å; Y439-V457 VanDerWaalsContact CD1-CG1 3.42Å; Y439-V457 HydrophobicContact CD1-CG2 4.18Å; Y439-V457 HydrophobicContact CE1-CB 4.16Å; Y439-V457 HydrophobicContact CE1-CG1 3.37Å; Y439-V457 HydrophobicContact CE1-CG2 3.65Å; Y439-V457 HydrophobicContact CE2-CG1 4.45Å; Y439-V457 HydrophobicContact CG-CG1 4.01Å; K441-V457 CarbonylContact O-C 3.56Å; K441-V457 WeakPolarHBondContact O-CA 3.24Å; V457-T459 HydrophobicContact CG1-CG2 4.01Å; V457-D482 CarbonylContact O-C 3.58Å; V457-D482 WeakPolarHBondContact O-CA 3.23Å; V457-F483 HydrophobicContact CB-CB 4.38Å; V457-F483 PolarHBondContact N-O 2.99Å; V457-F483 PolarHBondContact O-N 2.8Å; V457-L485 HydrophobicContact CB-CD1 4.43Å; V457-L485 HydrophobicContact CG2-CD1 3.92Å
458	V	77.1	Confident	63.1	Low	10 Å²	10	55.3 Å²	55.3	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.6	173.6	180	0	0	0	0	109.3	K440 K441 L480 Q481 D482 Y517	K440-V458 PolarHBondContact N-O 2.98Å; K441-V458 HydrophobicContact CB-CB 3.96Å; K441-V458 HydrophobicContact CB-CG2 4.19Å; K441-V458 PolarHBondContact N-O 2.86Å; K441-V458 PolarHBondContact O-N 2.85Å; V458-L480 HydrophobicContact CG1-CB 4.02Å; V458-L480 HydrophobicContact CG1-CD1 4.19Å; V458-L480 HydrophobicContact CG1-CD2 4.48Å; V458-L480 HydrophobicContact CG1-CG 4.47Å; V458-Q481 CarbonylContact C-O 3.57Å; V458-Q481 WeakPolarHBondContact CA-O 3.15Å; V458-D482 HydrophobicContact CG2-CB 4.43Å; V458-Y517 HydrophobicContact CG1-CD1 4.39Å; V458-Y517 HydrophobicContact CG1-CE1 3.74Å; V458-Y517 HydrophobicContact CG2-CE1 4.23Å
459	T	71.2	Confident	60.8	Low	17 Å²	17	58.6 Å²	58.6	10%	0.104	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	154	175.7	70.2	0	0	0	0	109.8	H438 V457 Q481 F483	H438-T459 WeakPolarHBondContact O-CA 3.38Å; H438-T459 VanDerWaalsContact O-CB 3.32Å; H438-T459 WeakPolarHBondContact O-CB 3.33Å; H438-T459 VanDerWaalsContact O-CG2 3.26Å; H438-T459 WeakPolarHBondContact O-CG2 3.43Å; V457-T459 HydrophobicContact CG1-CG2 4.01Å; T459-Q481 PolarHBondContact N-O 2.79Å; T459-Q481 PolarHBondContact O-N 3.48Å; T459-Q481 WeakPolarHBondContact OG1-CB 3.05Å; T459-F483 HydrophobicContact CG2-CD2 4Å; T459-F483 HydrophobicContact CG2-CE2 3.93Å; T459-F483 WeakPolarHBondContact OG1-CE2 3.33Å
460	P	65.7	Low	58.5	Low	34 Å²	34	61.6 Å²	61.6	22%	0.221	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.6	167.4	25.3	-28	0	0	0	109.6	H438 K440 Y552	H438-P460 WeakPolarHBondContact O-CD 3.12Å; K440-P460 HydrophobicContact CD-CB 4.42Å; P460-Y552 PolarHBondContact O-OH 2.83Å
461	S	56.9	Low	56.2	Low	30 Å²	30	60.6 Å²	60.6	21%	0.21	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.9	146.4	171.7	77.1	0	0	0	0	111	R463 V479	S461-R463 PolarHBondContact O-N 2.78Å; S461-V479 WeakPolarHBondContact CB-O 3.28Å; S461-V479 PolarHBondContact N-O 2.81Å; S461-V479 PolarHBondContact OG-O 3.24Å
462	V	53.5	Low	53.8	Low	46 Å²	46	63.4 Å²	63.4	28%	0.279	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-68.3	127.4	161	-172.7	0	0	0	0	106.8	Q464 P551 Y552	V462-Q464 PolarHBondContact O-N 2.8Å; V462-P551 HydrophobicContact CG1-CB 4.2Å; V462-P551 HydrophobicContact CG2-CB 4.31Å; V462-Y552 HydrophobicContact CB-CE2 4.49Å; V462-Y552 HydrophobicContact CG2-CD2 3.65Å; V462-Y552 HydrophobicContact CG2-CE1 4.07Å; V462-Y552 HydrophobicContact CG2-CE2 3.05Å; V462-Y552 HydrophobicContact CG2-CG 4.37Å; V462-Y552 WeakPolarHBondContact CG2-OH 3.34Å
463	R	48.3	Very low	51.2	Low	218 Å²	218	69.9 Å²	69.9	82%	0.823	43%	0.434	S	S	*	.			trans	-47.3	113.2	168.3	-72.5	-178.8	174.6	-178.7	-1.3	108.5	S461 A465	S461-R463 PolarHBondContact O-N 2.78Å; R463-A465 PolarHBondContact O-N 3.39Å
464	Q	37.5	Very low	48.5	Very low	161 Å²	161	74.9 Å²	74.9	75%	0.752	46%	0.463	S	S	*	.			trans	-63.4	106.1	163.3	-77.9	-176	9.3	0	0	106.6	V462 A466	V462-Q464 PolarHBondContact O-N 2.8Å; Q464-A466 PolarHBondContact O-N 3.04Å
465	A	31.9	Very low	46	Very low	57 Å²	57	81.6 Å²	81.6	47%	0.471	51%	0.507	S	S	.	.	S	Bend	trans	-64.1	106.6	168.6	0	0	0	0	0	108.4	R463	R463-A465 PolarHBondContact O-N 3.39Å
466	A	31.5	Very low	43.4	Very low	55 Å²	55	84.6 Å²	84.6	46%	0.455	54%	0.541	S	S	.	.	S	Bend	trans	66.8	103.9	166.1	0	0	0	0	0	117.7	R166 L170 Q464	R166-A466 PolarHBondContact NH1-O 3.19Å; L170-A466 HydrophobicContact CD1-CB 4.05Å; L170-A466 HydrophobicContact CD2-CB 4.49Å; Q464-A466 PolarHBondContact O-N 3.04Å
467	G	28.6	Very low	41.3	Very low	75 Å²	75	91 Å²	91	77%	0.773	57%	0.573	S	S	*	*			trans	179.5	30.5	165.2	0	0	0	0	0	115.4
468	G	24.4	Very low	39.6	Very low	71 Å²	71	93.7 Å²	93.7	73%	0.732	60%	0.602	S	S	*	*	S	Bend	trans	-144.3	131.7	177.1	0	0	0	0	0	111.5
469	S	25	Very low	38.6	Very low	88 Å²	88	97 Å²	97	62%	0.615	62%	0.621	S	S	*	*			trans	-50.4	141.7	171.2	171.8	0	0	0	0	111.2	T471	S469-T471 PolarHBondContact O-N 3.06Å
470	P	27.6	Very low	38.2	Very low	129 Å²	129	98.3 Å²	98.3	84%	0.838	63%	0.627	S	S	*	*	S	Bend	trans	-79.4	70.8	176.5	35	-32.3	0	0	0	109.7
471	T	26.1	Very low	38.3	Very low	120 Å²	120	97.2 Å²	97.2	74%	0.736	62%	0.619	S	S	*	*			trans	-136.2	58.5	169.9	55.9	0	0	0	0	110.5	S469	S469-T471 PolarHBondContact O-N 3.06Å
472	S	28.7	Very low	39.4	Very low	113 Å²	113	95.8 Å²	95.8	79%	0.79	61%	0.609	S	S	*	*			trans	-145.4	115.2	150.9	64.4	0	0	0	0	109.9	N474	S472-N474 PolarHBondContact O-N 3.44Å
473	T	27.5	Very low	40.6	Very low	135 Å²	135	94 Å²	94	83%	0.828	60%	0.598	S	S	*	*			trans	-67.8	100.2	170.9	37.8	0	0	0	0	109
474	N	28.4	Very low	42.3	Very low	145 Å²	145	83.8 Å²	83.8	78%	0.775	56%	0.56	S	S	*	*			trans	176.4	109	143.9	-86.2	-17.3	0	0	0	110.1	S472 G476	S472-N474 PolarHBondContact O-N 3.44Å; N474-G476 PolarHBondContact O-N 3.34Å
475	P	31	Very low	44.4	Very low	141 Å²	141	76.4 Å²	76.4	92%	0.916	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	90.3	177.3	32.1	-28.3	0	0	0	109.6
476	G	28.6	Very low	47	Very low	74 Å²	74	73.8 Å²	73.8	76%	0.763	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.8	-27.4	177.4	0	0	0	0	0	119	N474	N474-G476 PolarHBondContact O-N 3.34Å
477	E	36.7	Very low	49.6	Very low	191 Å²	191	71.4 Å²	71.4	89%	0.893	48%	0.484	S	S	*	.			trans	-106.3	103.7	-179.6	-79.8	-179	148.7	0	0	110.6	V479	E477-V479 PolarHBondContact O-N 2.85Å
478	G	44.9	Very low	52.3	Low	58 Å²	58	67.9 Å²	67.9	60%	0.598	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-61	130.2	163.9	0	0	0	0	0	108.8	L480	G478-L480 PolarHBondContact O-N 3.41Å
479	V	55.6	Low	55.3	Low	79 Å²	79	67.9 Å²	67.9	48%	0.479	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-47	130.5	174	-180	0	0	0	0	107.9	S461 E477 N518	S461-V479 WeakPolarHBondContact CB-O 3.28Å; S461-V479 PolarHBondContact N-O 2.81Å; S461-V479 PolarHBondContact OG-O 3.24Å; E477-V479 PolarHBondContact O-N 2.85Å; V479-N518 HydrophobicContact CG1-CB 4.22Å
480	L	64.1	Low	58.2	Low	44 Å²	44	67.2 Å²	67.2	23%	0.23	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.8	176.1	-69.6	172.7	0	0	0	108.1	K440 V458 G478 Y517 N518	K440-L480 HydrophobicContact CD-CD2 4.12Å; V458-L480 HydrophobicContact CG1-CB 4.02Å; V458-L480 HydrophobicContact CG1-CD1 4.19Å; V458-L480 HydrophobicContact CG1-CD2 4.48Å; V458-L480 HydrophobicContact CG1-CG 4.47Å; G478-L480 PolarHBondContact O-N 3.41Å; L480-Y517 HydrophobicContact CB-CD1 3.46Å; L480-Y517 VanDerWaalsContact CB-CD1 3.46Å; L480-Y517 HydrophobicContact CB-CE1 3.27Å; L480-Y517 HydrophobicContact CD1-CE1 3.74Å; L480-Y517 HydrophobicContact CG-CE1 4.15Å; L480-Y517 CarbonylContact O-C 3.55Å; L480-Y517 WeakPolarHBondContact O-CA 3.15Å; L480-N518 PolarHBondContact O-N 3.2Å
481	Q	67.9	Low	61	Low	11 Å²	11	68 Å²	68	5%	0.051	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.8	173.5	-93.6	168.9	-20	0	0	109.2	V458 T459 F483 N518 E548	V458-Q481 CarbonylContact C-O 3.57Å; V458-Q481 WeakPolarHBondContact CA-O 3.15Å; T459-Q481 PolarHBondContact N-O 2.79Å; T459-Q481 PolarHBondContact O-N 3.48Å; T459-Q481 WeakPolarHBondContact OG1-CB 3.05Å; Q481-F483 HydrophobicContact CB-CE2 4.05Å; Q481-N518 VanDerWaalsContact CA-O 3.29Å; Q481-N518 WeakPolarHBondContact CA-O 3.38Å; Q481-N518 HydrophobicContact CG-CB 4.11Å; Q481-E548 PolarHBondContact NE2-OE1 3.13Å; Q481-E548 PolarHBondContact NE2-OE2 3.34Å; Q481-E548 VanDerWaalsContact NE2-OE2 3.08Å
482	D	80.3	Confident	63.7	Low	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.2	175.7	80.7	-24.6	0	0	0	112.5	R456 V457 V458 Y517 N518 R519 G520	R456-D482 IonicContact CZ-OD2 2.74Å; R456-D482 IonicContact NE-OD2 2.85Å; R456-D482 IonicContact NH2-OD2 3.33Å; R456-D482 PolarHBondContact NH2-OD2 2.83Å; V457-D482 CarbonylContact O-C 3.58Å; V457-D482 WeakPolarHBondContact O-CA 3.23Å; V458-D482 HydrophobicContact CG2-CB 4.43Å; D482-Y517 HydrophobicContact CB-CD1 3.95Å; D482-Y517 HydrophobicContact CB-CG 4.33Å; D482-N518 PolarHBondContact N-O 3.28Å; D482-R519 WeakPolarHBondContact O-CA 3.06Å; D482-R519 WeakPolarHBondContact O-CD 2.92Å; D482-R519 WeakPolarHBondContact OD1-CA 3.44Å; D482-R519 IonicContact OD1-CZ 3.46Å; D482-R519 IonicContact OD1-NE 2.88Å; D482-R519 IonicContact OD1-NH1 3.25Å; D482-R519 PolarHBondContact OD1-NH1 3.3Å; D482-R519 IonicContact OD2-CZ 3.52Å; D482-R519 IonicContact OD2-NH1 2.85Å; D482-R519 PolarHBondContact OD2-NH1 2.84Å; D482-R519 IonicContact OD2-NH2 3.75Å; D482-G520 PolarHBondContact O-N 3.22Å
483	F	78.6	Confident	65.8	Low	8 Å²	8	64.4 Å²	64.4	4%	0.035	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.2	-179.5	-63.9	-95	0	0	0	108.9	R456 V457 T459 Q481 L485 G520 V522 V549	R456-F483 CarbonylContact C-O 3.52Å; R456-F483 WeakPolarHBondContact CA-O 3.2Å; V457-F483 HydrophobicContact CB-CB 4.38Å; V457-F483 PolarHBondContact N-O 2.99Å; V457-F483 PolarHBondContact O-N 2.8Å; T459-F483 HydrophobicContact CG2-CD2 4Å; T459-F483 HydrophobicContact CG2-CE2 3.93Å; T459-F483 WeakPolarHBondContact OG1-CE2 3.33Å; Q481-F483 HydrophobicContact CB-CE2 4.05Å; F483-L485 HydrophobicContact CB-CD1 4.46Å; F483-L485 HydrophobicContact CB-CD2 4.19Å; F483-L485 HydrophobicContact CB-CG 4.05Å; F483-G520 VanDerWaalsContact CD1-O 3.23Å; F483-G520 WeakPolarHBondContact CD1-O 3.44Å; F483-V522 HydrophobicContact CD1-CG2 3.83Å; F483-V522 HydrophobicContact CE1-CG2 3.79Å; F483-V549 HydrophobicContact CZ-CG2 4.26Å
484	I	82.7	Confident	67.8	Low	5 Å²	5	59.8 Å²	59.8	3%	0.026	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.3	166.4	-63.2	169.1	0	0	0	106.5	I445 I454 Y455 S505 V506 L508 H511	I445-I484 HydrophobicContact CD1-CG1 4.4Å; I445-I484 HydrophobicContact CD1-CG2 4.24Å; I454-I484 HydrophobicContact CG2-CG2 3.7Å; Y455-I484 CarbonylContact O-C 3.41Å; Y455-I484 WeakPolarHBondContact O-CA 2.98Å; I484-S505 WeakPolarHBondContact O-CA 2.99Å; I484-V506 WeakPolarHBondContact CB-O 3.44Å; I484-V506 HydrophobicContact CG2-CG2 3.74Å; I484-V506 WeakPolarHBondContact CG2-O 3.46Å; I484-V506 PolarHBondContact O-N 2.87Å; I484-V506 VanDerWaalsContact O-N 3.11Å; I484-L508 HydrophobicContact CD1-CB 4.5Å; I484-L508 HydrophobicContact CG2-CD1 3.99Å; I484-L508 HydrophobicContact CG2-CG 4.45Å; I484-H511 HydrophobicContact CD1-CB 3.88Å
485	L	83	Confident	69.3	Low	6 Å²	6	63 Å²	63	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.2	-173.3	-61.2	178	0	0	0	110.8	I454 Y455 V457 F483 R504 V522	I454-L485 CarbonylContact C-O 3.53Å; I454-L485 WeakPolarHBondContact CA-O 3.46Å; Y455-L485 PolarHBondContact N-O 3.39Å; Y455-L485 PolarHBondContact O-N 3.23Å; V457-L485 HydrophobicContact CB-CD1 4.43Å; V457-L485 HydrophobicContact CG2-CD1 3.92Å; F483-L485 HydrophobicContact CB-CD1 4.46Å; F483-L485 HydrophobicContact CB-CD2 4.19Å; F483-L485 HydrophobicContact CB-CG 4.05Å; L485-R504 CarbonylContact C-O 3.35Å; L485-R504 WeakPolarHBondContact CA-O 3.39Å; L485-V522 HydrophobicContact CD2-CB 4.25Å; L485-V522 HydrophobicContact CD2-CG2 4.41Å
486	L	85.1	Confident	71	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.1	161.9	177.8	67.9	0	0	0	108.6	W362 L370 N374 I454 L503 R504 V506	W362-L486 HydrophobicContact CH2-CD1 4.13Å; W362-L486 HydrophobicContact CZ3-CD1 3.75Å; W362-L486 HydrophobicContact CZ3-CD2 3.92Å; W362-L486 HydrophobicContact CZ3-CG 4.41Å; L370-L486 HydrophobicContact CB-CD2 4.31Å; N374-L486 PolarHBondContact ND2-O 3.41Å; I454-L486 HydrophobicContact CG1-CD1 3.89Å; L486-L503 WeakPolarHBondContact O-CA 3.35Å; L486-R504 PolarHBondContact N-O 3.37Å; L486-R504 PolarHBondContact O-N 2.87Å; L486-V506 HydrophobicContact CB-CG1 3.8Å; L486-V506 HydrophobicContact CB-CG2 4.27Å; L486-V506 HydrophobicContact CD2-CG1 4.34Å
487	A	86.1	Confident	73.4	Confident	6 Å²	6	59.5 Å²	59.5	5%	0.05	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.5	176.2	0	0	0	0	0	110	L429 D452 F453 Y455 A502 L503	L429-A487 HydrophobicContact CD1-CB 3.59Å; D452-A487 WeakPolarHBondContact CA-O 3.41Å; F453-A487 PolarHBondContact N-O 3.32Å; F453-A487 PolarHBondContact O-N 3.33Å; Y455-A487 HydrophobicContact CD2-CB 4.01Å; Y455-A487 HydrophobicContact CE2-CB 3.97Å; A487-A502 CarbonylContact C-O 3.48Å; A487-A502 WeakPolarHBondContact CA-O 3.4Å; A487-L503 HydrophobicContact CB-CD2 3.57Å
488	S	86	Confident	75.6	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.4	-179.1	-64.3	0	0	0	0	110.8	N374 D452 A502	N374-S488 PolarHBondContact ND2-OG 3.46Å; D452-S488 WeakPolarHBondContact OD1-CA 3.2Å; D452-S488 WeakPolarHBondContact OD1-CB 3.3Å; D452-S488 PolarHBondContact OD1-OG 3.49Å; S488-A502 PolarHBondContact N-O 2.63Å; S488-A502 PolarHBondContact O-N 2.79Å
489	R	87.3	Confident	77.6	Confident	72 Å²	72	51.4 Å²	51.4	27%	0.272	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.8	-179.9	79.8	-169	175	-175.8	-6.6	110.8	F423 D450 D451 V500 I501	F423-R489 HydrophobicContact CE2-CB 3.9Å; F423-R489 HydrophobicContact CZ-CB 3.66Å; F423-R489 HydrophobicContact CZ-CG 3.79Å; D450-R489 PolarHBondContact O-NE 2.83Å; D450-R489 PolarHBondContact O-NH2 3.38Å; D451-R489 HydrophobicContact CB-CG 3.98Å; D451-R489 WeakPolarHBondContact CB-O 3.48Å; D451-R489 WeakPolarHBondContact O-CG 3.4Å; D451-R489 PolarHBondContact O-N 2.9Å; D451-R489 WeakPolarHBondContact OD1-CG 3.27Å; D451-R489 IonicContact OD1-NE 3.32Å; D451-R489 PolarHBondContact OD1-NE 3.25Å; D451-R489 VanDerWaalsContact OD1-NE 3.14Å; R489-V500 CarbonylContact C-O 3.53Å; R489-V500 WeakPolarHBondContact CA-O 3.49Å; R489-I501 HydrophobicContact CB-CG1 4.45Å
490	R	86.1	Confident	79.1	Confident	73 Å²	73	47.7 Å²	47.7	28%	0.275	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.2	177.3	-64.9	-63.9	-178.1	-82.7	6	111	V375 D452 V500	V375-R490 HydrophobicContact CG1-CG 4.25Å; V375-R490 HydrophobicContact CG2-CG 3.83Å; D452-R490 IonicContact OD1-CZ 2.9Å; D452-R490 IonicContact OD1-NH1 2.99Å; D452-R490 PolarHBondContact OD1-NH1 2.64Å; D452-R490 IonicContact OD1-NH2 2.77Å; D452-R490 PolarHBondContact OD1-NH2 3.19Å; D452-R490 IonicContact OD2-CZ 2.81Å; D452-R490 IonicContact OD2-NH1 3.43Å; D452-R490 IonicContact OD2-NH2 3.14Å; D452-R490 PolarHBondContact OD2-NH2 2.68Å; R490-V500 PolarHBondContact N-O 3.36Å; R490-V500 PolarHBondContact O-N 2.88Å
491	K	85.4	Confident	80.3	Confident	146 Å²	146	45.8 Å²	45.8	64%	0.635	25%	0.254	S	S	*	.			trans	-76.6	156.8	173.5	-66.8	179.3	-175.8	175	0	110.7	F423 Y499	F423-K491 HydrophobicContact CE1-CG 4.35Å; K491-Y499 HydrophobicContact CG-CE1 4.33Å
492	P	84	Confident	81.2	Confident	44 Å²	44	45.2 Å²	45.2	29%	0.286	25%	0.252	S	S	.	.			trans	-62.8	145.2	178.2	25.8	-35.3	0	0	0	111.9	D497 Y499	P492-D497 HydrophobicContact CB-CB 3.7Å; P492-D497 WeakPolarHBondContact CB-O 3.33Å; P492-Y499 VanDerWaalsContact CD-CD1 3.44Å; P492-Y499 HydrophobicContact CG-CD1 4.48Å; P492-Y499 HydrophobicContact CG-CD2 4.33Å; P492-Y499 HydrophobicContact CG-CE1 4.11Å; P492-Y499 HydrophobicContact CG-CE2 3.94Å
493	C	71.6	Confident	81.5	Confident	113 Å²	113	45.3 Å²	45.3	76%	0.764	25%	0.252	S	S	*	.	S	Bend	trans	-92	-25.5	-179.3	-60.3	0	0	0	0	112.4	D497	C493-D497 PolarHBondContact N-OD2 3.14Å
494	G	70	Confident	81.7	Confident	39 Å²	39	46.5 Å²	46.5	40%	0.402	26%	0.256	S	S	.	.	S	Bend	trans	-144.7	174.7	174.4	0	0	0	0	0	113.9	G496 D497	G494-G496 PolarHBondContact O-N 3.32Å; G494-D497 PolarHBondContact N-OD2 2.9Å; G494-D497 PolarHBondContact O-N 3.18Å
495	H	60.2	Low	81.7	Confident	213 Å²	213	46.4 Å²	46.4	99%	0.986	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	119.6	174.1	-95.2	-77.4	0	0	0	110.5
496	G	67.1	Low	81.5	Confident	69 Å²	69	46.4 Å²	46.4	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	-4.6	-179.6	0	0	0	0	0	115	G494	G494-G496 PolarHBondContact O-N 3.32Å
497	D	78.1	Confident	81	Confident	72 Å²	72	48.7 Å²	48.7	39%	0.385	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-76.1	145.8	172.3	-76.8	-27.5	0	0	0	111.6	P492 C493 G494	P492-D497 HydrophobicContact CB-CB 3.7Å; P492-D497 WeakPolarHBondContact CB-O 3.33Å; C493-D497 PolarHBondContact N-OD2 3.14Å; G494-D497 PolarHBondContact N-OD2 2.9Å; G494-D497 PolarHBondContact O-N 3.18Å
498	P	84.1	Confident	80.4	Confident	34 Å²	34	49.6 Å²	49.6	22%	0.221	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.1	149.6	173.6	27.9	-31.4	0	0	0	112.2	V500 I529 L530	P498-V500 HydrophobicContact CG-CG2 4.3Å; P498-I529 CarbonylContact C-O 3.07Å; P498-I529 VanDerWaalsContact CA-O 3.27Å; P498-I529 WeakPolarHBondContact CA-O 3.36Å; P498-L530 HydrophobicContact CB-CD2 3.59Å; P498-L530 HydrophobicContact CB-CG 3.87Å; P498-L530 HydrophobicContact CG-CD2 4.17Å
499	Y	86	Confident	79.2	Confident	44 Å²	44	54.8 Å²	54.8	17%	0.173	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.5	155.6	-64.7	-100.3	0	0	0	108.8	A419 F423 K491 P492 T528 I529	A419-Y499 HydrophobicContact CB-CD2 4.04Å; A419-Y499 HydrophobicContact CB-CE2 3.8Å; F423-Y499 HydrophobicContact CB-CD1 3.84Å; F423-Y499 HydrophobicContact CB-CE1 4.43Å; F423-Y499 HydrophobicContact CB-CG 4.1Å; F423-Y499 AromaticContact CD1-CD1 3.96Å; F423-Y499 HydrophobicContact CD1-CD1 3.96Å; F423-Y499 HydrophobicContact CD1-CE1 4.41Å; F423-Y499 AromaticContact CD2-CD1 3.77Å; F423-Y499 HydrophobicContact CD2-CD1 3.77Å; F423-Y499 HydrophobicContact CD2-CG 4.07Å; F423-Y499 HydrophobicContact CE1-CD1 4.43Å; F423-Y499 HydrophobicContact CE2-CD1 4.24Å; F423-Y499 AromaticContact CG-CD1 3.58Å; F423-Y499 HydrophobicContact CG-CD1 3.58Å; F423-Y499 HydrophobicContact CG-CE1 4.35Å; F423-Y499 HydrophobicContact CG-CG 4.13Å; K491-Y499 HydrophobicContact CG-CE1 4.33Å; P492-Y499 VanDerWaalsContact CD-CD1 3.44Å; P492-Y499 HydrophobicContact CG-CD1 4.48Å; P492-Y499 HydrophobicContact CG-CD2 4.33Å; P492-Y499 HydrophobicContact CG-CE1 4.11Å; P492-Y499 HydrophobicContact CG-CE2 3.94Å; Y499-T528 CarbonylContact O-C 3.57Å; Y499-T528 VanDerWaalsContact O-CA 3.26Å; Y499-T528 WeakPolarHBondContact O-CA 3.47Å; Y499-I529 PolarHBondContact N-O 3.36Å; Y499-I529 PolarHBondContact O-N 3.14Å
500	V	87.5	Confident	77.8	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.3	-174.9	172.9	0	0	0	0	110.3	V375 L378 K379 R489 R490 P498 A502 T528	V375-V500 HydrophobicContact CG1-CG1 4Å; L378-V500 HydrophobicContact CD2-CG1 3.72Å; K379-V500 HydrophobicContact CG-CG2 4.38Å; R489-V500 CarbonylContact C-O 3.53Å; R489-V500 WeakPolarHBondContact CA-O 3.49Å; R490-V500 PolarHBondContact N-O 3.36Å; R490-V500 PolarHBondContact O-N 2.88Å; P498-V500 HydrophobicContact CG-CG2 4.3Å; V500-A502 HydrophobicContact CG1-CB 4.39Å; V500-T528 HydrophobicContact CG2-CG2 4.49Å
501	I	88.8	Confident	76.5	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.015	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.4	169.6	-57.4	167.8	0	0	0	106.5	F423 L426 A427 R489 L503 G526 F527	F423-I501 HydrophobicContact CD2-CD1 4.03Å; F423-I501 HydrophobicContact CD2-CG1 3.93Å; F423-I501 HydrophobicContact CE2-CD1 4.34Å; F423-I501 HydrophobicContact CE2-CG1 3.8Å; L426-I501 HydrophobicContact CB-CD1 3.76Å; A427-I501 HydrophobicContact CB-CD1 4.21Å; R489-I501 HydrophobicContact CB-CG1 4.45Å; I501-L503 HydrophobicContact CG2-CD2 4.48Å; I501-G526 CarbonylContact O-C 3.5Å; I501-G526 WeakPolarHBondContact O-CA 3.25Å; I501-F527 HydrophobicContact CB-CB 4.35Å; I501-F527 HydrophobicContact CD1-CB 4.49Å; I501-F527 PolarHBondContact N-O 3.4Å; I501-F527 PolarHBondContact O-N 3.41Å
502	A	86.7	Confident	75.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.8	-178.1	0	0	0	0	0	111.2	N374 V375 L378 A487 S488 V500	N374-A502 HydrophobicContact CB-CB 4.4Å; N374-A502 PolarHBondContact ND2-O 2.9Å; N374-A502 WeakPolarHBondContact O-CB 3.33Å; N374-A502 WeakPolarHBondContact OD1-CB 3.5Å; V375-A502 HydrophobicContact CG2-CB 4.27Å; L378-A502 HydrophobicContact CB-CB 4.06Å; L378-A502 HydrophobicContact CD2-CB 4.19Å; A487-A502 CarbonylContact C-O 3.48Å; A487-A502 WeakPolarHBondContact CA-O 3.4Å; S488-A502 PolarHBondContact N-O 2.63Å; S488-A502 PolarHBondContact O-N 2.79Å; V500-A502 HydrophobicContact CG1-CB 4.39Å
503	L	86.4	Confident	74	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.2	-177.3	-53.6	176.8	0	0	0	109	L429 L486 A487 I501 A525	L429-L503 HydrophobicContact CD1-CD2 3.71Å; L429-L503 HydrophobicContact CD2-CD2 4.42Å; L486-L503 WeakPolarHBondContact O-CA 3.35Å; A487-L503 HydrophobicContact CB-CD2 3.57Å; I501-L503 HydrophobicContact CG2-CD2 4.48Å; L503-A525 WeakPolarHBondContact CA-O 3.07Å; L503-A525 HydrophobicContact CB-CB 4.26Å; L503-A525 WeakPolarHBondContact CB-O 3.3Å; L503-A525 PolarHBondContact N-O 2.74Å; L503-A525 PolarHBondContact O-N 2.9Å; L503-A525 VanDerWaalsContact O-O 3.1Å
504	R	83.4	Confident	73.4	Confident	33 Å²	33	57.4 Å²	57.4	13%	0.125	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.6	176.7	175.5	179.2	-61.7	-136.7	15.6	111.2	N373 N374 L485 L486 L523	N373-R504 PolarHBondContact O-NH2 3.16Å; N373-R504 PolarHBondContact OD1-NH2 3.45Å; N374-R504 WeakPolarHBondContact OD1-CB 3.37Å; L485-R504 CarbonylContact C-O 3.35Å; L485-R504 WeakPolarHBondContact CA-O 3.39Å; L486-R504 PolarHBondContact N-O 3.37Å; L486-R504 PolarHBondContact O-N 2.87Å; R504-L523 WeakPolarHBondContact CG-O 3.34Å; R504-L523 PolarHBondContact NE-O 3.17Å
505	S	82.6	Confident	72.5	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.021	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.9	174.3	-72.2	0	0	0	0	113.3	I484 V522	I484-S505 WeakPolarHBondContact O-CA 2.99Å; S505-V522 WeakPolarHBondContact CB-O 3.35Å; S505-V522 PolarHBondContact N-O 3.15Å; S505-V522 PolarHBondContact OG-N 3.21Å
506	V	79.8	Confident	72.2	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.3	175.6	-64.1	0	0	0	0	110.3	V360 W362 I454 I484 L486	V360-V506 WeakPolarHBondContact O-CA 2.93Å; W362-V506 HydrophobicContact CB-CB 4.36Å; W362-V506 HydrophobicContact CE3-CG1 4.3Å; I454-V506 HydrophobicContact CG2-CG2 4.29Å; I484-V506 WeakPolarHBondContact CB-O 3.44Å; I484-V506 HydrophobicContact CG2-CG2 3.74Å; I484-V506 WeakPolarHBondContact CG2-O 3.46Å; I484-V506 PolarHBondContact O-N 2.87Å; I484-V506 VanDerWaalsContact O-N 3.11Å; L486-V506 HydrophobicContact CB-CG1 3.8Å; L486-V506 HydrophobicContact CB-CG2 4.27Å; L486-V506 HydrophobicContact CD2-CG1 4.34Å
507	S	74.9	Confident	72	Confident	48 Å²	48	57.7 Å²	57.7	34%	0.336	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.3	175.5	52.9	0	0	0	0	110.5	V360 P361 W362	V360-S507 PolarHBondContact O-N 2.84Å; P361-S507 VanDerWaalsContact CA-OG 3.29Å; P361-S507 WeakPolarHBondContact CA-OG 3.24Å; W362-S507 WeakPolarHBondContact CB-O 3.16Å; W362-S507 PolarHBondContact N-O 3.11Å
508	L	73	Confident	71.4	Confident	26 Å²	26	57.4 Å²	57.4	14%	0.136	33%	0.328	C	S	.	.			trans	-113.5	129	177.9	-75.5	169.6	0	0	0	109.5	W362 I445 I454 I484 T510 H511	W362-L508 HydrophobicContact CB-CD2 3.61Å; W362-L508 HydrophobicContact CB-CG 4.3Å; W362-L508 HydrophobicContact CG-CD2 3.61Å; I445-L508 HydrophobicContact CD1-CD1 4.19Å; I445-L508 HydrophobicContact CG2-CD1 4.33Å; I454-L508 HydrophobicContact CG2-CD1 4.1Å; I484-L508 HydrophobicContact CD1-CB 4.5Å; I484-L508 HydrophobicContact CG2-CD1 3.99Å; I484-L508 HydrophobicContact CG2-CG 4.45Å; L508-T510 PolarHBondContact O-N 3.15Å; L508-T510 VanDerWaalsContact O-N 3.17Å; L508-H511 PolarHBondContact O-N 3.24Å; L508-H511 VanDerWaalsContact O-N 3.12Å
509	A	59.8	Low	70.7	Confident	109 Å²	109	58.2 Å²	58.2	90%	0.901	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	175.4	0	0	0	0	0	113.1	H511	A509-H511 VanDerWaalsContact C-N 3.32Å
510	T	57.6	Low	69.7	Low	105 Å²	105	56.2 Å²	56.2	64%	0.644	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.1	178.5	51.6	0	0	0	0	113.9	L508	L508-T510 PolarHBondContact O-N 3.15Å; L508-T510 VanDerWaalsContact O-N 3.17Å
511	H	59.2	Low	69	Low	63 Å²	63	58.6 Å²	58.6	29%	0.292	33%	0.33	S	S	.	.	S	Bend	trans	-132.9	70	-176.8	-66.7	81.7	0	0	0	111	I484 L508 A509 R519	I484-H511 HydrophobicContact CD1-CB 3.88Å; L508-H511 PolarHBondContact O-N 3.24Å; L508-H511 VanDerWaalsContact O-N 3.12Å; A509-H511 VanDerWaalsContact C-N 3.32Å; H511-R519 PolarHBondContact O-NH2 3.16Å
512	P	59.3	Low	68.4	Low	88 Å²	88	59 Å²	59	57%	0.571	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-63.8	158.6	174.3	28.6	-34.3	0	0	0	111.5	F514	P512-F514 PolarHBondContact O-N 2.97Å
513	P	58.3	Low	67.7	Low	96 Å²	96	60.8 Å²	60.8	62%	0.623	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-57.8	127	173.1	24.5	-32.2	0	0	0	109.9	R519	P513-R519 HydrophobicContact CB-CB 4.32Å
514	F	58.4	Low	67.4	Low	151 Å²	151	60.8 Å²	60.8	66%	0.662	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-101.9	145.4	-175.8	-163.2	-90.4	0	0	0	110.4	P512 G516 Y517	P512-F514 PolarHBondContact O-N 2.97Å; F514-G516 PolarHBondContact O-N 3.33Å; F514-Y517 PolarHBondContact O-N 2.87Å; F514-Y517 VanDerWaalsContact O-N 3.15Å
515	E	51	Low	67.5	Low	195 Å²	195	59.4 Å²	59.4	91%	0.911	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	98.6	176.9	-73.2	-175.7	159.3	0	0	110.3
516	G	54.8	Low	67.7	Low	51 Å²	51	59.2 Å²	59.2	53%	0.526	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.6	-20	-178.8	0	0	0	0	0	114.6	F514	F514-G516 PolarHBondContact O-N 3.33Å
517	Y	62.4	Low	68.1	Low	81 Å²	81	59 Å²	59	32%	0.318	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134	173.7	-68.3	-93.9	0	0	0	111.2	V458 L480 D482 F514	V458-Y517 HydrophobicContact CG1-CD1 4.39Å; V458-Y517 HydrophobicContact CG1-CE1 3.74Å; V458-Y517 HydrophobicContact CG2-CE1 4.23Å; L480-Y517 HydrophobicContact CB-CD1 3.46Å; L480-Y517 VanDerWaalsContact CB-CD1 3.46Å; L480-Y517 HydrophobicContact CB-CE1 3.27Å; L480-Y517 HydrophobicContact CD1-CE1 3.74Å; L480-Y517 HydrophobicContact CG-CE1 4.15Å; L480-Y517 CarbonylContact O-C 3.55Å; L480-Y517 WeakPolarHBondContact O-CA 3.15Å; D482-Y517 HydrophobicContact CB-CD1 3.95Å; D482-Y517 HydrophobicContact CB-CG 4.33Å; F514-Y517 PolarHBondContact O-N 2.87Å; F514-Y517 VanDerWaalsContact O-N 3.15Å
518	N	65.1	Low	68.7	Low	65 Å²	65	57 Å²	57	35%	0.348	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.3	169.5	-158.5	28.7	0	0	0	108.9	V479 L480 Q481 D482 G520 E548	V479-N518 HydrophobicContact CG1-CB 4.22Å; L480-N518 PolarHBondContact O-N 3.2Å; Q481-N518 VanDerWaalsContact CA-O 3.29Å; Q481-N518 WeakPolarHBondContact CA-O 3.38Å; Q481-N518 HydrophobicContact CG-CB 4.11Å; D482-N518 PolarHBondContact N-O 3.28Å; N518-G520 PolarHBondContact O-N 2.81Å; N518-E548 PolarHBondContact ND2-OE1 2.84Å
519	R	69.9	Low	69.4	Low	52 Å²	52	55.8 Å²	55.8	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	114.6	-178	175.8	71.1	74.2	-149.3	-3.6	109.4	D482 H511 P513	D482-R519 WeakPolarHBondContact O-CA 3.06Å; D482-R519 WeakPolarHBondContact O-CD 2.92Å; D482-R519 WeakPolarHBondContact OD1-CA 3.44Å; D482-R519 IonicContact OD1-CZ 3.46Å; D482-R519 IonicContact OD1-NE 2.88Å; D482-R519 IonicContact OD1-NH1 3.25Å; D482-R519 PolarHBondContact OD1-NH1 3.3Å; D482-R519 IonicContact OD2-CZ 3.52Å; D482-R519 IonicContact OD2-NH1 2.85Å; D482-R519 PolarHBondContact OD2-NH1 2.84Å; D482-R519 IonicContact OD2-NH2 3.75Å; H511-R519 PolarHBondContact O-NH2 3.16Å; P513-R519 HydrophobicContact CB-CB 4.32Å
520	G	65.3	Low	70.6	Confident	2 Å²	2	53.2 Å²	53.2	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149.8	175.3	0	0	0	0	0	114	D482 F483 N518 E548	D482-G520 PolarHBondContact O-N 3.22Å; F483-G520 VanDerWaalsContact CD1-O 3.23Å; F483-G520 WeakPolarHBondContact CD1-O 3.44Å; N518-G520 PolarHBondContact O-N 2.81Å; G520-E548 VanDerWaalsContact CA-CD 3.49Å; G520-E548 WeakPolarHBondContact CA-OE2 3.29Å
521	E	72.8	Confident	71.8	Confident	52 Å²	52	54.2 Å²	54.2	24%	0.243	28%	0.283	C	S	.	.			trans	-123.5	139.5	179.1	-57.2	-172.3	141.7	0	0	110.7	L358 S359 S546	L358-E521 HydrophobicContact CB-CB 3.95Å; L358-E521 WeakPolarHBondContact CB-OE2 3.46Å; L358-E521 HydrophobicContact CD1-CB 4.02Å; L358-E521 WeakPolarHBondContact CD1-OE2 3.24Å; L358-E521 WeakPolarHBondContact CG-OE2 3.4Å; L358-E521 PolarHBondContact N-OE2 3.24Å; S359-E521 WeakPolarHBondContact CB-OE1 3.42Å; S359-E521 PolarHBondContact N-OE1 2.86Å; S359-E521 PolarHBondContact OG-OE1 3.42Å; E521-S546 WeakPolarHBondContact O-CB 3.33Å; E521-S546 PolarHBondContact O-OG 2.99Å
522	V	74.9	Confident	72.5	Confident	12 Å²	12	53.8 Å²	53.8	7%	0.073	29%	0.285	C	S	.	.			trans	-128.7	120.9	175.4	177.3	0	0	0	0	107.9	F483 L485 S505 A525	F483-V522 HydrophobicContact CD1-CG2 3.83Å; F483-V522 HydrophobicContact CE1-CG2 3.79Å; L485-V522 HydrophobicContact CD2-CB 4.25Å; L485-V522 HydrophobicContact CD2-CG2 4.41Å; S505-V522 WeakPolarHBondContact CB-O 3.35Å; S505-V522 PolarHBondContact N-O 3.15Å; S505-V522 PolarHBondContact OG-N 3.21Å; V522-A525 HydrophobicContact CG1-CB 3.73Å
523	L	72.3	Confident	72.8	Confident	36 Å²	36	56.2 Å²	56.2	19%	0.188	29%	0.293	C	S	.	.	S	Bend	trans	-71.2	-49.1	-178.8	-82.4	-178.6	0	0	0	112.6	L358 M406 R504	L358-L523 HydrophobicContact CB-CD2 3.66Å; L358-L523 HydrophobicContact CB-CG 4.1Å; L358-L523 HydrophobicContact CD2-CD1 3.77Å; L358-L523 HydrophobicContact CD2-CD2 3.66Å; L358-L523 HydrophobicContact CD2-CG 3.72Å; L358-L523 HydrophobicContact CG-CD2 4.29Å; L358-L523 HydrophobicContact CG-CG 4.43Å; M406-L523 HydrophobicContact CE-CB 4.25Å; M406-L523 HydrophobicContact CE-CD1 3.67Å; M406-L523 HydrophobicContact CE-CG 4.36Å; M406-L523 HydrophobicContact SD-CD1 3.69Å; R504-L523 WeakPolarHBondContact CG-O 3.34Å; R504-L523 PolarHBondContact NE-O 3.17Å
524	C	80.9	Confident	73	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.02	30%	0.299	C	S	.	.	S	Bend	trans	-158.2	116.8	-177.6	-175.9	0	0	0	0	108.5	Q544	C524-Q544 HydrophobicContact CB-CB 4.23Å; C524-Q544 VanDerWaalsContact O-CB 3.31Å; C524-Q544 WeakPolarHBondContact O-CB 3.49Å; C524-Q544 PolarHBondContact O-N 2.83Å
525	A	85.4	Confident	73.5	Confident	3 Å²	3	56.2 Å²	56.2	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	165.6	168.4	0	0	0	0	0	109.3	L503 V522 Y542 N543	L503-A525 WeakPolarHBondContact CA-O 3.07Å; L503-A525 HydrophobicContact CB-CB 4.26Å; L503-A525 WeakPolarHBondContact CB-O 3.3Å; L503-A525 PolarHBondContact N-O 2.74Å; L503-A525 PolarHBondContact O-N 2.9Å; L503-A525 VanDerWaalsContact O-O 3.1Å; V522-A525 HydrophobicContact CG1-CB 3.73Å; A525-Y542 CarbonylContact C-O 3.53Å; A525-Y542 WeakPolarHBondContact CA-O 3.28Å; A525-N543 HydrophobicContact CB-CB 4.04Å
526	G	87.5	Confident	74.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	174.8	178.4	0	0	0	0	0	114.7	I501 Y541 Y542	I501-G526 CarbonylContact O-C 3.5Å; I501-G526 WeakPolarHBondContact O-CA 3.25Å; G526-Y541 CarbonylContact O-C 3.59Å; G526-Y541 WeakPolarHBondContact O-CA 3.4Å; G526-Y541 WeakPolarHBondContact O-CD2 3.49Å; G526-Y542 PolarHBondContact N-O 3.41Å; G526-Y542 PolarHBondContact O-N 2.96Å
527	F	87.8	Confident	76.2	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.3	176	-60.4	-88.4	0	0	0	110.2	L426 W435 I501 I539 S540 Y541	L426-F527 HydrophobicContact CD1-CD1 4.48Å; W435-F527 HydrophobicContact CH2-CZ 4.15Å; I501-F527 HydrophobicContact CB-CB 4.35Å; I501-F527 HydrophobicContact CD1-CB 4.49Å; I501-F527 PolarHBondContact N-O 3.4Å; I501-F527 PolarHBondContact O-N 3.41Å; F527-I539 HydrophobicContact CD1-CG2 4.11Å; F527-S540 CarbonylContact C-O 3.52Å; F527-S540 WeakPolarHBondContact CA-O 3.45Å; F527-Y541 AromaticContact CD1-CD2 3.73Å; F527-Y541 HydrophobicContact CD1-CD2 3.73Å; F527-Y541 HydrophobicContact CD1-CG 4.23Å; F527-Y541 HydrophobicContact CD2-CD2 4.16Å; F527-Y541 AromaticContact CE1-CD2 3.4Å; F527-Y541 HydrophobicContact CE1-CD2 3.4Å; F527-Y541 HydrophobicContact CE1-CE2 4.32Å; F527-Y541 AromaticContact CE1-CG 3.88Å; F527-Y541 HydrophobicContact CE1-CG 3.88Å; F527-Y541 AromaticContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CE2 4.12Å; F527-Y541 HydrophobicContact CG-CD2 4.09Å; F527-Y541 AromaticContact CZ-CD2 3.47Å; F527-Y541 HydrophobicContact CZ-CD2 3.47Å; F527-Y541 VanDerWaalsContact CZ-CD2 3.47Å; F527-Y541 AromaticContact CZ-CE2 3.94Å; F527-Y541 HydrophobicContact CZ-CE2 3.94Å; F527-Y541 HydrophobicContact CZ-CG 4.3Å
528	T	87.3	Confident	77.3	Confident	6 Å²	6	45.2 Å²	45.2	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.2	160.7	68.7	0	0	0	0	108.6	L378 Y499 V500 S540 Y542	L378-T528 HydrophobicContact CD2-CG2 4.15Å; Y499-T528 CarbonylContact O-C 3.57Å; Y499-T528 VanDerWaalsContact O-CA 3.26Å; Y499-T528 WeakPolarHBondContact O-CA 3.47Å; V500-T528 HydrophobicContact CG2-CG2 4.49Å; T528-S540 PolarHBondContact N-O 2.85Å; T528-S540 PolarHBondContact O-N 3.29Å; T528-S540 WeakPolarHBondContact OG1-CB 3.35Å; T528-Y542 HydrophobicContact CG2-CD2 4.16Å; T528-Y542 HydrophobicContact CG2-CE2 3.72Å; T528-Y542 WeakPolarHBondContact OG1-CE2 3.26Å
529	I	86.9	Confident	78.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.1	-178.9	-50.2	167.7	0	0	0	107.8	A419 A422 F423 L426 P498 Y499 L538 I539	A419-I529 HydrophobicContact CB-CG2 3.93Å; A422-I529 HydrophobicContact CB-CD1 4.2Å; A422-I529 HydrophobicContact CB-CG2 4.24Å; F423-I529 HydrophobicContact CB-CD1 4.03Å; L426-I529 HydrophobicContact CD1-CD1 3.89Å; L426-I529 HydrophobicContact CD1-CG1 4.44Å; P498-I529 CarbonylContact C-O 3.07Å; P498-I529 VanDerWaalsContact CA-O 3.27Å; P498-I529 WeakPolarHBondContact CA-O 3.36Å; Y499-I529 PolarHBondContact N-O 3.36Å; Y499-I529 PolarHBondContact O-N 3.14Å; I529-L538 WeakPolarHBondContact CA-O 3.49Å; I529-I539 HydrophobicContact CG2-CG1 4.41Å
530	L	85.5	Confident	79.1	Confident	56 Å²	56	39.8 Å²	39.8	29%	0.293	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	179.1	-73.6	162.7	0	0	0	109.7	P498 T532 S537 L538	P498-L530 HydrophobicContact CB-CD2 3.59Å; P498-L530 HydrophobicContact CB-CG 3.87Å; P498-L530 HydrophobicContact CG-CD2 4.17Å; L530-T532 PolarHBondContact O-N 2.89Å; L530-S537 CarbonylContact O-C 3.55Å; L530-S537 VanDerWaalsContact O-CA 3.3Å; L530-S537 WeakPolarHBondContact O-CA 3.32Å; L530-L538 HydrophobicContact CB-CB 4.32Å; L530-L538 HydrophobicContact CD1-CD2 4.44Å; L530-L538 PolarHBondContact N-O 3.16Å; L530-L538 PolarHBondContact O-N 2.79Å
531	E	82.1	Confident	80.3	Confident	125 Å²	125	40.5 Å²	40.5	58%	0.584	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.9	171.6	-169.6	165.2	-153.2	0	0	109.3	A419	A419-E531 HydrophobicContact CB-CB 3.96Å; A419-E531 HydrophobicContact CB-CG 4.48Å
532	T	74.1	Confident	80.9	Confident	54 Å²	54	38.4 Å²	38.4	33%	0.331	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	160.8	173.9	-48.7	0	0	0	0	107.7	L530 M536	L530-T532 PolarHBondContact O-N 2.89Å; T532-M536 PolarHBondContact N-O 2.72Å; T532-M536 VanDerWaalsContact O-O 3.12Å
533	N	66.6	Low	81.4	Confident	139 Å²	139	38.2 Å²	38.2	74%	0.743	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	140.9	-177.3	-62.8	-21	0	0	0	111.4
534	N	61.7	Low	81.6	Confident	142 Å²	142	38.1 Å²	38.1	76%	0.759	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	56.4	-177.4	-60.8	-12.9	0	0	0	117.5	M536	N534-M536 WeakPolarHBondContact O-CG 3.39Å; N534-M536 PolarHBondContact O-N 2.81Å
535	N	70.1	Confident	80.9	Confident	106 Å²	106	38.1 Å²	38.1	57%	0.567	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	10.8	176	-82.2	-6	0	0	0	115.4	V417	V417-N535 CarbonylContact C-O 3.57Å; V417-N535 PolarHBondContact N-O 2.81Å
536	M	79.4	Confident	79.9	Confident	65 Å²	65	38 Å²	38	32%	0.32	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.4	178	-66.6	-166.7	-62.8	0	0	109.9	V415 T532 N534	V415-M536 CarbonylContact O-C 3.58Å; V415-M536 WeakPolarHBondContact O-CA 3.31Å; T532-M536 PolarHBondContact N-O 2.72Å; T532-M536 VanDerWaalsContact O-O 3.12Å; N534-M536 WeakPolarHBondContact O-CG 3.39Å; N534-M536 PolarHBondContact O-N 2.81Å
537	S	81.9	Confident	78.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.5	174	52.8	0	0	0	0	111	V415 V417 L530	V415-S537 PolarHBondContact N-O 3.13Å; V415-S537 PolarHBondContact O-N 3.37Å; V417-S537 VanDerWaalsContact O-CB 3.29Å; V417-S537 WeakPolarHBondContact O-CB 3.49Å; V417-S537 PolarHBondContact O-N 3.01Å; V417-S537 PolarHBondContact O-OG 2.79Å; L530-S537 CarbonylContact O-C 3.55Å; L530-S537 VanDerWaalsContact O-CA 3.3Å; L530-S537 WeakPolarHBondContact O-CA 3.32Å
538	L	85.2	Confident	77.5	Confident	30 Å²	30	42.4 Å²	42.4	16%	0.157	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116	168.6	179.9	69.1	0	0	0	107.8	E412 E414 I529 L530	E412-L538 HydrophobicContact CB-CD1 4.24Å; E414-L538 HydrophobicContact CG-CD1 3.78Å; I529-L538 WeakPolarHBondContact CA-O 3.49Å; L530-L538 HydrophobicContact CB-CB 4.32Å; L530-L538 HydrophobicContact CD1-CD2 4.44Å; L530-L538 PolarHBondContact N-O 3.16Å; L530-L538 PolarHBondContact O-N 2.79Å
539	I	87.1	Confident	76.4	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117	178.8	-56.7	176.7	0	0	0	107.7	E412 A413 V415 L426 F527 I529 L575	E412-I539 VanDerWaalsContact CA-O 3.32Å; E412-I539 WeakPolarHBondContact CA-O 3.37Å; A413-I539 PolarHBondContact N-O 3.44Å; A413-I539 PolarHBondContact O-N 2.88Å; V415-I539 HydrophobicContact CB-CD1 4.17Å; V415-I539 HydrophobicContact CG2-CD1 3.73Å; V415-I539 HydrophobicContact CG2-CG1 4.38Å; L426-I539 HydrophobicContact CD1-CD1 4.28Å; L426-I539 HydrophobicContact CD1-CG2 4.15Å; F527-I539 HydrophobicContact CD1-CG2 4.11Å; I529-I539 HydrophobicContact CG2-CG1 4.41Å; I539-L575 HydrophobicContact CD1-CD1 3.2Å
540	S	87.4	Confident	75.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.1	176.1	-49	0	0	0	0	109.5	V411 E412 F527 T528	V411-S540 CarbonylContact O-C 3.54Å; V411-S540 VanDerWaalsContact O-CA 3.29Å; V411-S540 WeakPolarHBondContact O-CA 3.42Å; E412-S540 WeakPolarHBondContact CG-OG 3.38Å; E412-S540 PolarHBondContact OE1-OG 2.85Å; F527-S540 CarbonylContact C-O 3.52Å; F527-S540 WeakPolarHBondContact CA-O 3.45Å; T528-S540 PolarHBondContact N-O 2.85Å; T528-S540 PolarHBondContact O-N 3.29Å; T528-S540 WeakPolarHBondContact OG1-CB 3.35Å
541	Y	89	Confident	74.3	Confident	17 Å²	17	42.4 Å²	42.4	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.8	171	176.9	-109	0	0	0	109.9	F409 R410 V411 G526 F527 N543 F568	F409-Y541 HydrophobicContact CE2-CD1 4.06Å; F409-Y541 AromaticContact CE2-CE1 3.96Å; F409-Y541 HydrophobicContact CE2-CE1 3.96Å; F409-Y541 HydrophobicContact CZ-CD1 4.47Å; F409-Y541 AromaticContact CZ-CE1 3.91Å; F409-Y541 HydrophobicContact CZ-CE1 3.91Å; R410-Y541 CarbonylContact C-O 3.58Å; R410-Y541 WeakPolarHBondContact CA-O 3.47Å; V411-Y541 PolarHBondContact N-O 2.81Å; V411-Y541 PolarHBondContact O-N 3.25Å; G526-Y541 CarbonylContact O-C 3.59Å; G526-Y541 WeakPolarHBondContact O-CA 3.4Å; G526-Y541 WeakPolarHBondContact O-CD2 3.49Å; F527-Y541 AromaticContact CD1-CD2 3.73Å; F527-Y541 HydrophobicContact CD1-CD2 3.73Å; F527-Y541 HydrophobicContact CD1-CG 4.23Å; F527-Y541 HydrophobicContact CD2-CD2 4.16Å; F527-Y541 AromaticContact CE1-CD2 3.4Å; F527-Y541 HydrophobicContact CE1-CD2 3.4Å; F527-Y541 HydrophobicContact CE1-CE2 4.32Å; F527-Y541 AromaticContact CE1-CG 3.88Å; F527-Y541 HydrophobicContact CE1-CG 3.88Å; F527-Y541 AromaticContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CE2 4.12Å; F527-Y541 HydrophobicContact CG-CD2 4.09Å; F527-Y541 AromaticContact CZ-CD2 3.47Å; F527-Y541 HydrophobicContact CZ-CD2 3.47Å; F527-Y541 VanDerWaalsContact CZ-CD2 3.47Å; F527-Y541 AromaticContact CZ-CE2 3.94Å; F527-Y541 HydrophobicContact CZ-CE2 3.94Å; F527-Y541 HydrophobicContact CZ-CG 4.3Å; Y541-N543 HydrophobicContact CE1-CB 3.68Å; Y541-N543 PolarHBondContact OH-ND2 2.76Å; Y541-F568 HydrophobicContact CD1-CE2 4.31Å; Y541-F568 AromaticContact CD1-CZ 3.86Å; Y541-F568 HydrophobicContact CD1-CZ 3.86Å; Y541-F568 AromaticContact CG-CZ 3.78Å; Y541-F568 HydrophobicContact CG-CZ 3.78Å
542	Y	86.8	Confident	73.5	Confident	8 Å²	8	39.4 Å²	39.4	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.1	176.3	-61	-101.5	0	0	0	109	L378 L381 A382 W387 R410 A525 G526 T528	L378-Y542 HydrophobicContact CD1-CG 4.48Å; L381-Y542 HydrophobicContact CD2-CD1 4.48Å; L381-Y542 HydrophobicContact CG-CD1 4.34Å; A382-Y542 HydrophobicContact CB-CE1 3.89Å; A382-Y542 HydrophobicContact CB-CE2 4.16Å; W387-Y542 AromaticContact CH2-CD1 3.85Å; W387-Y542 HydrophobicContact CH2-CD1 3.85Å; W387-Y542 HydrophobicContact CH2-CE1 4.35Å; W387-Y542 AromaticContact CZ2-CD1 3.58Å; W387-Y542 HydrophobicContact CZ2-CD1 3.58Å; W387-Y542 AromaticContact CZ2-CE1 3.76Å; W387-Y542 HydrophobicContact CZ2-CE1 3.76Å; R410-Y542 HydrophobicContact CB-CD1 3.85Å; R410-Y542 HydrophobicContact CB-CE1 3.96Å; R410-Y542 HydrophobicContact CB-CG 4.49Å; R410-Y542 VanDerWaalsContact CD-OH 3.25Å; R410-Y542 WeakPolarHBondContact CD-OH 3.44Å; R410-Y542 HydrophobicContact CG-CD1 3.99Å; R410-Y542 HydrophobicContact CG-CE1 3.72Å; R410-Y542 HydrophobicContact CG-CE2 4.4Å; R410-Y542 HydrophobicContact CG-CG 4.47Å; R410-Y542 PolarHBondContact NH1-OH 3.43Å; A525-Y542 CarbonylContact C-O 3.53Å; A525-Y542 WeakPolarHBondContact CA-O 3.28Å; G526-Y542 PolarHBondContact N-O 3.41Å; G526-Y542 PolarHBondContact O-N 2.96Å; T528-Y542 HydrophobicContact CG2-CD2 4.16Å; T528-Y542 HydrophobicContact CG2-CE2 3.72Å; T528-Y542 WeakPolarHBondContact OG1-CE2 3.26Å
543	N	84.3	Confident	73.2	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	126.7	169.4	-178.1	-29.2	0	0	0	109.7	S408 F409 A525 Y541 A545	S408-N543 WeakPolarHBondContact CA-O 3.12Å; F409-N543 HydrophobicContact CD1-CB 4.13Å; F409-N543 WeakPolarHBondContact CD1-O 3.29Å; F409-N543 HydrophobicContact CE1-CB 3.43Å; F409-N543 VanDerWaalsContact CE1-CB 3.43Å; F409-N543 HydrophobicContact CE2-CB 4.34Å; F409-N543 HydrophobicContact CZ-CB 3.58Å; F409-N543 PolarHBondContact N-O 3.29Å; F409-N543 PolarHBondContact O-N 2.93Å; A525-N543 HydrophobicContact CB-CB 4.04Å; Y541-N543 HydrophobicContact CE1-CB 3.68Å; Y541-N543 PolarHBondContact OH-ND2 2.76Å; N543-A545 PolarHBondContact O-N 2.99Å
544	Q	77.5	Confident	73.1	Confident	35 Å²	35	30.2 Å²	30.2	16%	0.164	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	105.5	170.5	-136.6	-165.6	-17.3	0	0	106.7	M406 S408 C524 S546	M406-Q544 HydrophobicContact CE-CB 3.34Å; M406-Q544 VanDerWaalsContact CE-CD 3.45Å; M406-Q544 HydrophobicContact CE-CG 3.18Å; M406-Q544 VanDerWaalsContact CE-O 3.27Å; M406-Q544 WeakPolarHBondContact CE-O 3.3Å; M406-Q544 HydrophobicContact CG-CG 4.21Å; M406-Q544 HydrophobicContact SD-CB 4.28Å; M406-Q544 HydrophobicContact SD-CG 3.44Å; M406-Q544 WeakPolarHBondContact SD-CG 3.41Å; M406-Q544 PolarHBondContact SD-NE2 3.24Å; S408-Q544 VanDerWaalsContact OG-CG 3.26Å; S408-Q544 WeakPolarHBondContact OG-CG 3.38Å; C524-Q544 HydrophobicContact CB-CB 4.23Å; C524-Q544 VanDerWaalsContact O-CB 3.31Å; C524-Q544 WeakPolarHBondContact O-CB 3.49Å; C524-Q544 PolarHBondContact O-N 2.83Å; Q544-S546 PolarHBondContact O-N 3.02Å
545	A	66.3	Low	73.3	Confident	2 Å²	2	24.6 Å²	24.6	2%	0.017	13%	0.129	C	C	.	.			trans	-57.4	123.5	-169.3	0	0	0	0	0	112.3	M406 L407 N543 L550 I553	M406-A545 WeakPolarHBondContact CE-O 3.45Å; L407-A545 HydrophobicContact CB-CB 4.17Å; L407-A545 WeakPolarHBondContact O-CA 3.42Å; L407-A545 WeakPolarHBondContact O-CB 3.37Å; L407-A545 PolarHBondContact O-N 2.77Å; N543-A545 PolarHBondContact O-N 2.99Å; A545-L550 HydrophobicContact CB-CD1 4.26Å; A545-I553 HydrophobicContact CB-CD1 3.48Å; A545-I553 VanDerWaalsContact CB-CD1 3.48Å
546	S	64	Low	73.2	Confident	2 Å²	2	20 Å²	20	1%	0.014	11%	0.105	C	C	.	.			trans	-88.9	155.9	167.3	61.2	0	0	0	0	111.3	E521 Q544 E548 V549 L550	E521-S546 WeakPolarHBondContact O-CB 3.33Å; E521-S546 PolarHBondContact O-OG 2.99Å; Q544-S546 PolarHBondContact O-N 3.02Å; S546-E548 PolarHBondContact O-N 3.35Å; S546-V549 PolarHBondContact O-N 2.76Å; S546-V549 WeakPolarHBondContact OG-CG2 3.24Å; S546-L550 WeakPolarHBondContact O-CB 3.45Å; S546-L550 PolarHBondContact O-N 3.42Å
547	P	60.4	Low	72.5	Confident	58 Å²	58	17.5 Å²	17.5	38%	0.377	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.6	-177.1	-26.7	35.1	0	0	0	114.1	P551	P547-P551 WeakPolarHBondContact O-CD 3.25Å
548	E	63.4	Low	71.4	Confident	34 Å²	34	17.9 Å²	17.9	16%	0.159	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-35.1	-179.3	-60.5	-154.5	141.3	0	0	113.7	Q481 N518 G520 S546 P551	Q481-E548 PolarHBondContact NE2-OE1 3.13Å; Q481-E548 PolarHBondContact NE2-OE2 3.34Å; Q481-E548 VanDerWaalsContact NE2-OE2 3.08Å; N518-E548 PolarHBondContact ND2-OE1 2.84Å; G520-E548 VanDerWaalsContact CA-CD 3.49Å; G520-E548 WeakPolarHBondContact CA-OE2 3.29Å; S546-E548 PolarHBondContact O-N 3.35Å; E548-P551 WeakPolarHBondContact O-CD 3.37Å
549	V	64.6	Low	70.2	Confident	28 Å²	28	18.7 Å²	18.7	17%	0.17	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-15.1	178.3	-166.9	0	0	0	0	110.6	F483 S546 P551 Y552 I553	F483-V549 HydrophobicContact CZ-CG2 4.26Å; S546-V549 PolarHBondContact O-N 2.76Å; S546-V549 WeakPolarHBondContact OG-CG2 3.24Å; V549-P551 VanDerWaalsContact C-CD 3.5Å; V549-Y552 WeakPolarHBondContact O-CB 3.46Å; V549-Y552 PolarHBondContact O-N 3.02Å; V549-I553 HydrophobicContact CB-CD1 4.02Å; V549-I553 HydrophobicContact CG1-CD1 3.69Å; V549-I553 HydrophobicContact CG1-CG1 4.02Å; V549-I553 WeakPolarHBondContact O-CD1 3.5Å; V549-I553 WeakPolarHBondContact O-CG1 3.36Å; V549-I553 PolarHBondContact O-N 2.86Å
550	L	64.6	Low	68.8	Low	5 Å²	5	19.9 Å²	19.9	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-55.1	-41.6	-178.1	-160.6	130.5	0	0	0	113.9	D344 Y347 A545 S546 Y552 I553 S554	D344-L550 HydrophobicContact CB-CD2 4.33Å; D344-L550 VanDerWaalsContact OD1-CD2 3.3Å; D344-L550 WeakPolarHBondContact OD1-CD2 3.28Å; Y347-L550 HydrophobicContact CD2-CD1 4.04Å; Y347-L550 HydrophobicContact CG-CD1 3.88Å; A545-L550 HydrophobicContact CB-CD1 4.26Å; S546-L550 WeakPolarHBondContact O-CB 3.45Å; S546-L550 PolarHBondContact O-N 3.42Å; L550-Y552 VanDerWaalsContact C-N 3.31Å; L550-Y552 PolarHBondContact O-N 3.41Å; L550-I553 PolarHBondContact O-N 3.47Å; L550-S554 WeakPolarHBondContact O-CB 3.04Å; L550-S554 PolarHBondContact O-N 2.8Å; L550-S554 PolarHBondContact O-OG 2.89Å; L550-S554 VanDerWaalsContact O-OG 3.09Å
551	P	63.6	Low	67.6	Low	29 Å²	29	22.1 Å²	22.1	19%	0.188	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-32.5	176.3	-22.8	34.3	0	0	0	113.6	V462 P547 E548 V549 S554 T555	V462-P551 HydrophobicContact CG1-CB 4.2Å; V462-P551 HydrophobicContact CG2-CB 4.31Å; P547-P551 WeakPolarHBondContact O-CD 3.25Å; E548-P551 WeakPolarHBondContact O-CD 3.37Å; V549-P551 VanDerWaalsContact C-CD 3.5Å; P551-S554 WeakPolarHBondContact CA-OG 3.26Å; P551-S554 PolarHBondContact O-OG 2.97Å; P551-T555 PolarHBondContact O-N 3.31Å; P551-T555 PolarHBondContact O-OG1 3.32Å
552	Y	64.8	Low	66.4	Low	62 Å²	62	22.9 Å²	22.9	24%	0.243	14%	0.141	C	C	.	.	H	α-helix	trans	-68.9	-45.4	173.1	-67.8	-72.8	0	0	0	110.2	P460 V462 V549 L550 T555 D556	P460-Y552 PolarHBondContact O-OH 2.83Å; V462-Y552 HydrophobicContact CB-CE2 4.49Å; V462-Y552 HydrophobicContact CG2-CD2 3.65Å; V462-Y552 HydrophobicContact CG2-CE1 4.07Å; V462-Y552 HydrophobicContact CG2-CE2 3.05Å; V462-Y552 HydrophobicContact CG2-CG 4.37Å; V462-Y552 WeakPolarHBondContact CG2-OH 3.34Å; V549-Y552 WeakPolarHBondContact O-CB 3.46Å; V549-Y552 PolarHBondContact O-N 3.02Å; L550-Y552 VanDerWaalsContact C-N 3.31Å; L550-Y552 PolarHBondContact O-N 3.41Å; Y552-T555 WeakPolarHBondContact O-CB 3.43Å; Y552-T555 PolarHBondContact O-N 3.43Å; Y552-D556 PolarHBondContact O-N 2.89Å
553	I	68.8	Low	65.4	Low	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-44.1	-176.4	-63.8	159.4	0	0	0	112	L407 F409 A545 V549 L550 T555 D556 I557 F564	L407-I553 HydrophobicContact CD2-CG2 4.08Å; F409-I553 HydrophobicContact CD1-CD1 3.85Å; F409-I553 HydrophobicContact CD1-CG1 3.96Å; F409-I553 HydrophobicContact CD1-CG2 3.75Å; F409-I553 HydrophobicContact CE1-CB 4.47Å; F409-I553 HydrophobicContact CE1-CD1 3.31Å; F409-I553 HydrophobicContact CE1-CG1 3.46Å; F409-I553 VanDerWaalsContact CE1-CG1 3.46Å; F409-I553 HydrophobicContact CE1-CG2 4.15Å; F409-I553 HydrophobicContact CG-CG2 4.35Å; F409-I553 HydrophobicContact CZ-CD1 4.27Å; F409-I553 HydrophobicContact CZ-CG1 4.08Å; A545-I553 HydrophobicContact CB-CD1 3.48Å; A545-I553 VanDerWaalsContact CB-CD1 3.48Å; V549-I553 HydrophobicContact CB-CD1 4.02Å; V549-I553 HydrophobicContact CG1-CD1 3.69Å; V549-I553 HydrophobicContact CG1-CG1 4.02Å; V549-I553 WeakPolarHBondContact O-CD1 3.5Å; V549-I553 WeakPolarHBondContact O-CG1 3.36Å; V549-I553 PolarHBondContact O-N 2.86Å; L550-I553 PolarHBondContact O-N 3.47Å; I553-T555 VanDerWaalsContact C-N 3.28Å; I553-T555 PolarHBondContact O-N 3.34Å; I553-D556 PolarHBondContact O-N 3.31Å; I553-I557 HydrophobicContact CG2-CD1 3.35Å; I553-I557 HydrophobicContact CG2-CG1 4.16Å; I553-I557 WeakPolarHBondContact O-CB 3.48Å; I553-I557 VanDerWaalsContact O-CG1 3.22Å; I553-I557 WeakPolarHBondContact O-CG1 3.17Å; I553-I557 PolarHBondContact O-N 3.2Å; I553-F564 HydrophobicContact CB-CE2 4.41Å; I553-F564 HydrophobicContact CG1-CE2 4Å; I553-F564 HydrophobicContact CG1-CZ 3.75Å
554	S	64.1	Low	64.6	Low	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.5	-33.7	178.5	64.8	0	0	0	0	111.8	K340 D344 L550 P551 A558	K340-S554 WeakPolarHBondContact CE-OG 3.29Å; K340-S554 WeakPolarHBondContact CG-OG 3.23Å; D344-S554 WeakPolarHBondContact OD1-CB 3.45Å; D344-S554 PolarHBondContact OD1-OG 3.43Å; L550-S554 WeakPolarHBondContact O-CB 3.04Å; L550-S554 PolarHBondContact O-N 2.8Å; L550-S554 PolarHBondContact O-OG 2.89Å; L550-S554 VanDerWaalsContact O-OG 3.09Å; P551-S554 WeakPolarHBondContact CA-OG 3.26Å; P551-S554 PolarHBondContact O-OG 2.97Å; S554-A558 WeakPolarHBondContact O-CB 3.33Å; S554-A558 PolarHBondContact O-N 2.85Å
555	T	66.7	Low	64.2	Low	25 Å²	25	25.7 Å²	25.7	15%	0.153	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-47.3	175.5	-49.6	0	0	0	0	111.1	K340 P551 Y552 I553 A558 G559 L560	K340-T555 HydrophobicContact CD-CG2 4.44Å; K340-T555 WeakPolarHBondContact CE-OG1 3.41Å; K340-T555 PolarHBondContact NZ-OG1 3.2Å; P551-T555 PolarHBondContact O-N 3.31Å; P551-T555 PolarHBondContact O-OG1 3.32Å; Y552-T555 WeakPolarHBondContact O-CB 3.43Å; Y552-T555 PolarHBondContact O-N 3.43Å; I553-T555 VanDerWaalsContact C-N 3.28Å; I553-T555 PolarHBondContact O-N 3.34Å; T555-A558 PolarHBondContact O-N 3.32Å; T555-G559 PolarHBondContact O-N 3.35Å; T555-G559 VanDerWaalsContact O-N 3.08Å; T555-L560 HydrophobicContact CG2-CB 3.57Å; T555-L560 HydrophobicContact CG2-CD1 4.43Å; T555-L560 PolarHBondContact O-N 2.94Å
556	D	67.5	Low	64.5	Low	10 Å²	10	30 Å²	30	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-73.3	-38.4	-178.9	-78.2	12.8	0	0	0	112.1	Y552 I553 A558 G559 S561 S563 F564	Y552-D556 PolarHBondContact O-N 2.89Å; I553-D556 PolarHBondContact O-N 3.31Å; D556-A558 VanDerWaalsContact C-N 3.34Å; D556-G559 PolarHBondContact O-N 3.36Å; D556-G559 VanDerWaalsContact O-N 3.09Å; D556-S561 VanDerWaalsContact OD1-C 3.26Å; D556-S561 WeakPolarHBondContact OD1-CB 3.31Å; D556-S561 PolarHBondContact OD1-OG 3.16Å; D556-S563 VanDerWaalsContact CG-OG 3.26Å; D556-S563 PolarHBondContact OD1-OG 3.35Å; D556-S563 VanDerWaalsContact OD1-OG 3.06Å; D556-S563 PolarHBondContact OD2-N 3.04Å; D556-S563 PolarHBondContact OD2-OG 2.93Å; D556-F564 HydrophobicContact CB-CD2 3.52Å; D556-F564 HydrophobicContact CB-CE2 3.94Å; D556-F564 WeakPolarHBondContact OD2-CB 3.42Å; D556-F564 WeakPolarHBondContact OD2-CD2 3.46Å; D556-F564 WeakPolarHBondContact OD2-CG 3.42Å; D556-F564 PolarHBondContact OD2-N 3.48Å
557	I	64.4	Low	65.1	Low	11 Å²	11	30.4 Å²	30.4	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-36.4	174.3	-69	169.3	0	0	0	111.6	L343 L398 T400 L407 I553 G559	L343-I557 HydrophobicContact CD1-CB 4.32Å; L343-I557 HydrophobicContact CD1-CG2 3.78Å; L398-I557 HydrophobicContact CD2-CG1 4.25Å; T400-I557 HydrophobicContact CG2-CD1 3.51Å; T400-I557 HydrophobicContact CG2-CG1 3.71Å; T400-I557 HydrophobicContact CG2-CG2 4.15Å; L407-I557 HydrophobicContact CD1-CD1 4.35Å; L407-I557 HydrophobicContact CD2-CD1 3.63Å; L407-I557 HydrophobicContact CG-CD1 4.2Å; I553-I557 HydrophobicContact CG2-CD1 3.35Å; I553-I557 HydrophobicContact CG2-CG1 4.16Å; I553-I557 WeakPolarHBondContact O-CB 3.48Å; I553-I557 VanDerWaalsContact O-CG1 3.22Å; I553-I557 WeakPolarHBondContact O-CG1 3.17Å; I553-I557 PolarHBondContact O-N 3.2Å; I557-G559 PolarHBondContact O-N 2.66Å
558	A	59.2	Low	65.7	Low	8 Å²	8	28.2 Å²	28.2	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-29.8	173.1	0	0	0	0	0	110.8	T336 K340 S554 T555 D556 L560	T336-A558 HydrophobicContact CG2-CB 4.15Å; T336-A558 WeakPolarHBondContact CG2-O 3.47Å; K340-A558 HydrophobicContact CB-CB 3.85Å; S554-A558 WeakPolarHBondContact O-CB 3.33Å; S554-A558 PolarHBondContact O-N 2.85Å; T555-A558 PolarHBondContact O-N 3.32Å; D556-A558 VanDerWaalsContact C-N 3.34Å; A558-L560 HydrophobicContact CB-CD1 4.11Å; A558-L560 HydrophobicContact CB-CG 4.24Å
559	G	60.2	Low	66.1	Low	48 Å²	48	28.1 Å²	28.1	50%	0.495	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	16.9	-177.4	0	0	0	0	0	113.4	T555 D556 I557	T555-G559 PolarHBondContact O-N 3.35Å; T555-G559 VanDerWaalsContact O-N 3.08Å; D556-G559 PolarHBondContact O-N 3.36Å; D556-G559 VanDerWaalsContact O-N 3.09Å; I557-G559 PolarHBondContact O-N 2.66Å
560	L	57.3	Low	66.7	Low	28 Å²	28	29 Å²	29	15%	0.147	17%	0.172	C	C	.	.	S	Bend	trans	-83	-17.5	177.6	-66.6	164.9	0	0	0	112.6	V184 T336 A337 K340 T555 A558	V184-L560 VanDerWaalsContact CG2-O 3.3Å; V184-L560 WeakPolarHBondContact CG2-O 3.48Å; T336-L560 HydrophobicContact CG2-CD1 4.41Å; T336-L560 HydrophobicContact CG2-CD2 3.5Å; T336-L560 VanDerWaalsContact CG2-CD2 3.5Å; T336-L560 HydrophobicContact CG2-CG 3.52Å; A337-L560 HydrophobicContact CB-CD1 4.48Å; K340-L560 HydrophobicContact CB-CD1 3.85Å; K340-L560 HydrophobicContact CD-CD1 3.87Å; K340-L560 HydrophobicContact CG-CD1 4.42Å; T555-L560 HydrophobicContact CG2-CB 3.57Å; T555-L560 HydrophobicContact CG2-CD1 4.43Å; T555-L560 PolarHBondContact O-N 2.94Å; A558-L560 HydrophobicContact CB-CD1 4.11Å; A558-L560 HydrophobicContact CB-CG 4.24Å
561	S	63	Low	67.3	Low	46 Å²	46	29 Å²	29	32%	0.322	17%	0.172	S	C	.	.			trans	-141.2	149.7	179.3	159.1	0	0	0	0	109.6	D556 S563	D556-S561 VanDerWaalsContact OD1-C 3.26Å; D556-S561 WeakPolarHBondContact OD1-CB 3.31Å; D556-S561 PolarHBondContact OD1-OG 3.16Å; S561-S563 WeakPolarHBondContact OG-CB 3.29Å; S561-S563 PolarHBondContact OG-N 3.38Å; S561-S563 VanDerWaalsContact OG-N 3.09Å; S561-S563 PolarHBondContact OG-OG 2.84Å
562	S	62.3	Low	67.9	Low	34 Å²	34	29.2 Å²	29.2	24%	0.238	17%	0.174	C	C	.	.			trans	-106.9	19.1	174.4	47.6	0	0	0	0	111.2	F564 Y565 H566	S562-F564 PolarHBondContact O-N 3.37Å; S562-Y565 CarbonylContact O-C 3.59Å; S562-Y565 WeakPolarHBondContact O-CA 3.41Å; S562-Y565 WeakPolarHBondContact O-CB 3.41Å; S562-Y565 PolarHBondContact O-N 3.46Å; S562-H566 PolarHBondContact O-CD2 2.88Å; S562-H566 VanDerWaalsContact O-CD2 3.24Å; S562-H566 PolarHBondContact O-N 3.01Å; S562-H566 PolarHBondContact OG-CD2 2.72Å; S562-H566 PolarHBondContact OG-NE2 2.92Å; S562-H566 VanDerWaalsContact OG-NE2 3.11Å
563	S	66.1	Low	68.6	Low	29 Å²	29	31.3 Å²	31.3	20%	0.203	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-43.5	-171.1	65.2	0	0	0	0	113.6	D556 S561 H566 T567	D556-S563 VanDerWaalsContact CG-OG 3.26Å; D556-S563 PolarHBondContact OD1-OG 3.35Å; D556-S563 VanDerWaalsContact OD1-OG 3.06Å; D556-S563 PolarHBondContact OD2-N 3.04Å; D556-S563 PolarHBondContact OD2-OG 2.93Å; S561-S563 WeakPolarHBondContact OG-CB 3.29Å; S561-S563 PolarHBondContact OG-N 3.38Å; S561-S563 VanDerWaalsContact OG-N 3.09Å; S561-S563 PolarHBondContact OG-OG 2.84Å; S563-H566 PolarHBondContact O-N 3.16Å; S563-T567 WeakPolarHBondContact O-CB 3.49Å; S563-T567 PolarHBondContact O-N 3.23Å; S563-T567 PolarHBondContact O-OG1 3.47Å
564	F	68.9	Low	69.1	Low	24 Å²	24	33.1 Å²	33.1	11%	0.105	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-43.5	172	-71.9	-48.3	0	0	0	111.3	F409 I553 D556 S562 H566 T567 F568	F409-F564 HydrophobicContact CE1-CZ 4.33Å; F409-F564 HydrophobicContact CE2-CE1 4.17Å; F409-F564 HydrophobicContact CE2-CE2 4.1Å; F409-F564 AromaticContact CE2-CZ 3.95Å; F409-F564 HydrophobicContact CE2-CZ 3.95Å; F409-F564 AromaticContact CZ-CE1 3.98Å; F409-F564 HydrophobicContact CZ-CE1 3.98Å; F409-F564 HydrophobicContact CZ-CE2 4.11Å; F409-F564 AromaticContact CZ-CZ 3.61Å; F409-F564 HydrophobicContact CZ-CZ 3.61Å; I553-F564 HydrophobicContact CB-CE2 4.41Å; I553-F564 HydrophobicContact CG1-CE2 4Å; I553-F564 HydrophobicContact CG1-CZ 3.75Å; D556-F564 HydrophobicContact CB-CD2 3.52Å; D556-F564 HydrophobicContact CB-CE2 3.94Å; D556-F564 WeakPolarHBondContact OD2-CB 3.42Å; D556-F564 WeakPolarHBondContact OD2-CD2 3.46Å; D556-F564 WeakPolarHBondContact OD2-CG 3.42Å; D556-F564 PolarHBondContact OD2-N 3.48Å; S562-F564 PolarHBondContact O-N 3.37Å; F564-H566 PolarHBondContact O-N 3.07Å; F564-T567 PolarHBondContact O-N 2.9Å; F564-T567 VanDerWaalsContact O-N 3.16Å; F564-F568 WeakPolarHBondContact O-CB 3.31Å; F564-F568 VanDerWaalsContact O-CD2 3.26Å; F564-F568 WeakPolarHBondContact O-CD2 3.42Å; F564-F568 PolarHBondContact O-N 2.94Å
565	Y	68.8	Low	69.7	Low	57 Å²	57	33.1 Å²	33.1	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-48.6	177.8	175.1	-89.3	0	0	0	111.1	K393 D394 V396 S562 T567 F568 C569	K393-Y565 HydrophobicContact CB-CD2 3.92Å; K393-Y565 HydrophobicContact CB-CE2 3.69Å; D394-Y565 HydrophobicContact CB-CE2 4.26Å; D394-Y565 WeakPolarHBondContact CB-OH 3.19Å; D394-Y565 PolarHBondContact OD2-OH 2.82Å; V396-Y565 HydrophobicContact CB-CD2 4.19Å; V396-Y565 HydrophobicContact CB-CE2 4.36Å; V396-Y565 HydrophobicContact CG2-CD2 4.3Å; V396-Y565 HydrophobicContact CG2-CE2 4.22Å; S562-Y565 CarbonylContact O-C 3.59Å; S562-Y565 WeakPolarHBondContact O-CA 3.41Å; S562-Y565 WeakPolarHBondContact O-CB 3.41Å; S562-Y565 PolarHBondContact O-N 3.46Å; Y565-T567 VanDerWaalsContact C-N 3.31Å; Y565-T567 PolarHBondContact O-N 3.41Å; Y565-F568 PolarHBondContact O-N 3.48Å; Y565-C569 VanDerWaalsContact CE1-SG 3.55Å; Y565-C569 VanDerWaalsContact CZ-SG 3.5Å; Y565-C569 WeakPolarHBondContact O-CB 3.39Å; Y565-C569 PolarHBondContact O-N 2.91Å; Y565-C569 PolarHBondContact O-SG 2.96Å
566	H	71.4	Confident	70.2	Confident	91 Å²	91	34.2 Å²	34.2	42%	0.421	20%	0.202	S	C	.	.	H	α-helix	trans	-61.4	-38	175.1	-74.7	-72.5	0	0	0	112.8	S562 S563 F564 S570	S562-H566 PolarHBondContact O-CD2 2.88Å; S562-H566 VanDerWaalsContact O-CD2 3.24Å; S562-H566 PolarHBondContact O-N 3.01Å; S562-H566 PolarHBondContact OG-CD2 2.72Å; S562-H566 PolarHBondContact OG-NE2 2.92Å; S562-H566 VanDerWaalsContact OG-NE2 3.11Å; S563-H566 PolarHBondContact O-N 3.16Å; F564-H566 PolarHBondContact O-N 3.07Å; H566-S570 WeakPolarHBondContact O-CB 3.38Å; H566-S570 PolarHBondContact O-N 2.92Å; H566-S570 PolarHBondContact O-OG 2.88Å
567	T	76.5	Confident	70.6	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-42.6	177.7	-55.8	0	0	0	0	111.4	W435 D436 H438 S563 F564 Y565 S570 C571	W435-T567 HydrophobicContact CE3-CG2 4.15Å; W435-T567 HydrophobicContact CZ3-CG2 3.96Å; D436-T567 HydrophobicContact CB-CG2 4.33Å; H438-T567 PolarHBondContact CE1-OG1 2.97Å; S563-T567 WeakPolarHBondContact O-CB 3.49Å; S563-T567 PolarHBondContact O-N 3.23Å; S563-T567 PolarHBondContact O-OG1 3.47Å; F564-T567 PolarHBondContact O-N 2.9Å; F564-T567 VanDerWaalsContact O-N 3.16Å; Y565-T567 VanDerWaalsContact C-N 3.31Å; Y565-T567 PolarHBondContact O-N 3.41Å; T567-S570 PolarHBondContact O-N 2.77Å; T567-C571 WeakPolarHBondContact O-CB 3.46Å; T567-C571 PolarHBondContact O-N 3.21Å
568	F	73.8	Confident	71	Confident	13 Å²	13	44.1 Å²	44.1	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-71.9	-35.4	176.8	-86.2	-86.3	0	0	0	112.5	V396 V411 Y541 F564 Y565 S570 C571 S572	V396-F568 HydrophobicContact CG1-CB 4.47Å; V411-F568 HydrophobicContact CB-CD1 4.46Å; V411-F568 HydrophobicContact CB-CD2 4.06Å; V411-F568 HydrophobicContact CB-CE1 4.12Å; V411-F568 HydrophobicContact CB-CE2 3.7Å; V411-F568 HydrophobicContact CB-CG 4.47Å; V411-F568 HydrophobicContact CB-CZ 3.78Å; V411-F568 HydrophobicContact CG1-CD1 3.93Å; V411-F568 HydrophobicContact CG1-CD2 3.63Å; V411-F568 HydrophobicContact CG1-CE1 4.09Å; V411-F568 HydrophobicContact CG1-CE2 3.82Å; V411-F568 HydrophobicContact CG1-CG 3.73Å; V411-F568 HydrophobicContact CG1-CZ 4.08Å; V411-F568 HydrophobicContact CG2-CD2 4.29Å; V411-F568 HydrophobicContact CG2-CE2 3.86Å; V411-F568 HydrophobicContact CG2-CZ 4.33Å; Y541-F568 HydrophobicContact CD1-CE2 4.31Å; Y541-F568 AromaticContact CD1-CZ 3.86Å; Y541-F568 HydrophobicContact CD1-CZ 3.86Å; Y541-F568 AromaticContact CG-CZ 3.78Å; Y541-F568 HydrophobicContact CG-CZ 3.78Å; F564-F568 WeakPolarHBondContact O-CB 3.31Å; F564-F568 VanDerWaalsContact O-CD2 3.26Å; F564-F568 WeakPolarHBondContact O-CD2 3.42Å; F564-F568 PolarHBondContact O-N 2.94Å; Y565-F568 PolarHBondContact O-N 3.48Å; F568-S570 VanDerWaalsContact C-N 3.35Å; F568-C571 WeakPolarHBondContact O-CB 3.42Å; F568-C571 PolarHBondContact O-N 3.18Å; F568-S572 WeakPolarHBondContact O-CB 3.32Å; F568-S572 PolarHBondContact O-N 3.35Å
569	C	71.8	Confident	71	Confident	31 Å²	31	44.7 Å²	44.7	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-42.8	169.4	-72.5	0	0	0	0	111.3	Y565 C571 S572 Q573	Y565-C569 VanDerWaalsContact CE1-SG 3.55Å; Y565-C569 VanDerWaalsContact CZ-SG 3.5Å; Y565-C569 WeakPolarHBondContact O-CB 3.39Å; Y565-C569 PolarHBondContact O-N 2.91Å; Y565-C569 PolarHBondContact O-SG 2.96Å; C569-C571 VanDerWaalsContact C-N 3.34Å; C569-S572 PolarHBondContact O-N 3.45Å; C569-Q573 WeakPolarHBondContact O-CB 3.07Å; C569-Q573 VanDerWaalsContact O-CG 3.31Å; C569-Q573 WeakPolarHBondContact O-CG 2.88Å; C569-Q573 PolarHBondContact O-N 3.35Å
570	S	77.8	Confident	70.4	Confident	47 Å²	47	50.5 Å²	50.5	33%	0.329	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-39.2	175.9	-58.1	0	0	0	0	111.6	H566 T567 F568 Q573 Y574	H566-S570 WeakPolarHBondContact O-CB 3.38Å; H566-S570 PolarHBondContact O-N 2.92Å; H566-S570 PolarHBondContact O-OG 2.88Å; T567-S570 PolarHBondContact O-N 2.77Å; F568-S570 VanDerWaalsContact C-N 3.35Å; S570-Q573 PolarHBondContact O-N 3.14Å; S570-Y574 WeakPolarHBondContact O-CB 3.35Å; S570-Y574 PolarHBondContact O-N 3.02Å
571	C	77.4	Confident	69.7	Low	4 Å²	4	54.5 Å²	54.5	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-48.2	172.7	-174.7	0	0	0	0	111.6	W435 T567 F568 C569 Q573 Y574 L575	W435-C571 HydrophobicContact CD2-CB 4.1Å; W435-C571 HydrophobicContact CE3-CB 3.56Å; W435-C571 HydrophobicContact CH2-CB 4.23Å; W435-C571 HydrophobicContact CZ3-CB 3.64Å; T567-C571 WeakPolarHBondContact O-CB 3.46Å; T567-C571 PolarHBondContact O-N 3.21Å; F568-C571 WeakPolarHBondContact O-CB 3.42Å; F568-C571 PolarHBondContact O-N 3.18Å; C569-C571 VanDerWaalsContact C-N 3.34Å; C571-Q573 VanDerWaalsContact C-N 3.34Å; C571-Q573 PolarHBondContact O-N 3.12Å; C571-Y574 WeakPolarHBondContact O-CB 3.27Å; C571-Y574 PolarHBondContact O-N 3.49Å; C571-L575 WeakPolarHBondContact O-CB 3.4Å; C571-L575 VanDerWaalsContact O-CG 3.29Å; C571-L575 WeakPolarHBondContact O-CG 3.38Å; C571-L575 PolarHBondContact O-N 2.99Å
572	S	75.5	Confident	68.4	Low	35 Å²	35	57.4 Å²	57.4	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-44.6	176.6	-175.9	0	0	0	0	111.3	F568 C569 Y574 L575 S576	F568-S572 WeakPolarHBondContact O-CB 3.32Å; F568-S572 PolarHBondContact O-N 3.35Å; C569-S572 PolarHBondContact O-N 3.45Å; S572-Y574 PolarHBondContact O-N 3.16Å; S572-L575 PolarHBondContact O-N 2.85Å; S572-S576 PolarHBondContact O-N 2.89Å; S572-S576 PolarHBondContact O-OG 2.83Å
573	Q	78.4	Confident	67.2	Low	105 Å²	105	60 Å²	60	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-41.3	174.7	-72.6	177.8	8.8	0	0	112.9	C569 S570 C571 S576 R577	C569-Q573 WeakPolarHBondContact O-CB 3.07Å; C569-Q573 VanDerWaalsContact O-CG 3.31Å; C569-Q573 WeakPolarHBondContact O-CG 2.88Å; C569-Q573 PolarHBondContact O-N 3.35Å; S570-Q573 PolarHBondContact O-N 3.14Å; C571-Q573 VanDerWaalsContact C-N 3.34Å; C571-Q573 PolarHBondContact O-N 3.12Å; Q573-S576 PolarHBondContact O-N 3.47Å; Q573-R577 WeakPolarHBondContact O-CB 3.42Å; Q573-R577 VanDerWaalsContact O-CG 3.24Å; Q573-R577 WeakPolarHBondContact O-CG 3.29Å; Q573-R577 PolarHBondContact O-N 2.92Å
574	Y	79.8	Confident	65.5	Low	38 Å²	38	63.6 Å²	63.6	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.9	174.7	-95.7	0	0	0	111.3	L425 S434 W435 S570 C571 S572 R577 N578	L425-Y574 HydrophobicContact CB-CE1 4.38Å; L425-Y574 HydrophobicContact CD2-CE1 4.49Å; S434-Y574 WeakPolarHBondContact OG-CE2 2.96Å; W435-Y574 HydrophobicContact CB-CG 4.45Å; W435-Y574 AromaticContact CD1-CD1 3.77Å; W435-Y574 AromaticContact CD1-CD2 3.99Å; W435-Y574 AromaticContact CD1-CG 3.72Å; W435-Y574 HydrophobicContact CG-CG 4.27Å; S570-Y574 WeakPolarHBondContact O-CB 3.35Å; S570-Y574 PolarHBondContact O-N 3.02Å; C571-Y574 WeakPolarHBondContact O-CB 3.27Å; C571-Y574 PolarHBondContact O-N 3.49Å; S572-Y574 PolarHBondContact O-N 3.16Å; Y574-R577 PolarHBondContact O-N 2.7Å; Y574-N578 WeakPolarHBondContact CD2-ND2 3.35Å; Y574-N578 WeakPolarHBondContact CE2-ND2 3.3Å; Y574-N578 WeakPolarHBondContact O-CB 3.38Å; Y574-N578 PolarHBondContact O-N 3.45Å; Y574-N578 PolarHBondContact O-ND2 2.97Å
575	L	77.6	Confident	63.7	Low	1 Å²	1	71.6 Å²	71.6	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-65.6	-42.2	177.7	-68.7	173.1	0	0	0	111.7	V415 V417 L425 L426 I539 C571 S572 N578 G579	V415-L575 HydrophobicContact CG1-CB 4.11Å; V415-L575 HydrophobicContact CG1-CD1 4.45Å; V417-L575 HydrophobicContact CG2-CB 4.25Å; V417-L575 WeakPolarHBondContact CG2-O 3.24Å; L425-L575 HydrophobicContact CB-CD2 3.92Å; L425-L575 HydrophobicContact CD1-CD2 3.83Å; L426-L575 HydrophobicContact CD1-CD1 4.46Å; L426-L575 HydrophobicContact CG-CD2 4.32Å; I539-L575 HydrophobicContact CD1-CD1 3.2Å; C571-L575 WeakPolarHBondContact O-CB 3.4Å; C571-L575 VanDerWaalsContact O-CG 3.29Å; C571-L575 WeakPolarHBondContact O-CG 3.38Å; C571-L575 PolarHBondContact O-N 2.99Å; S572-L575 PolarHBondContact O-N 2.85Å; L575-N578 PolarHBondContact O-N 3.25Å; L575-G579 WeakPolarHBondContact O-CA 3.46Å; L575-G579 PolarHBondContact O-N 2.87Å
576	S	76.1	Confident	61.8	Low	47 Å²	47	78.3 Å²	78.3	33%	0.329	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-39.4	175.8	-62.5	0	0	0	0	112.7	S572 Q573 G579	S572-S576 PolarHBondContact O-N 2.89Å; S572-S576 PolarHBondContact O-OG 2.83Å; Q573-S576 PolarHBondContact O-N 3.47Å; S576-G579 PolarHBondContact O-N 3.45Å
577	R	76.9	Confident	59.7	Low	180 Å²	180	80.4 Å²	80.4	68%	0.679	44%	0.44	S	S	*	.	H	α-helix	trans	-63.7	-44.6	176.5	-76	174.2	-174.5	178.7	5.1	111.9	Q573 Y574	Q573-R577 WeakPolarHBondContact O-CB 3.42Å; Q573-R577 VanDerWaalsContact O-CG 3.24Å; Q573-R577 WeakPolarHBondContact O-CG 3.29Å; Q573-R577 PolarHBondContact O-N 2.92Å; Y574-R577 PolarHBondContact O-N 2.7Å
578	N	72.2	Confident	57.4	Low	50 Å²	50	86.6 Å²	86.6	27%	0.267	48%	0.478	S	S	.	.	H	α-helix	trans	-86	-11.9	-178.6	-66.1	-33.4	0	0	0	113.4	L425 Y574 L575 Q580	L425-N578 HydrophobicContact CD1-CB 3.78Å; L425-N578 HydrophobicContact CD2-CB 4.15Å; Y574-N578 WeakPolarHBondContact CD2-ND2 3.35Å; Y574-N578 WeakPolarHBondContact CE2-ND2 3.3Å; Y574-N578 WeakPolarHBondContact O-CB 3.38Å; Y574-N578 PolarHBondContact O-N 3.45Å; Y574-N578 PolarHBondContact O-ND2 2.97Å; L575-N578 PolarHBondContact O-N 3.25Å; N578-Q580 VanDerWaalsContact C-N 3.35Å
579	G	58.6	Low	55	Low	20 Å²	20	89.5 Å²	89.5	21%	0.206	51%	0.512	C	S	.	.	H	α-helix	trans	-72.2	-26.3	174	0	0	0	0	0	113.4	R421 L575 S576	R421-G579 PolarHBondContact NH1-O 3.01Å; L575-G579 WeakPolarHBondContact O-CA 3.46Å; L575-G579 PolarHBondContact O-N 2.87Å; S576-G579 PolarHBondContact O-N 3.45Å
580	Q	49.3	Very low	52.7	Low	170 Å²	170	95.4 Å²	95.4	79%	0.794	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.6	-176.3	-70.5	-174.1	-7.1	0	0	115.2	N578 P582	N578-Q580 VanDerWaalsContact C-N 3.35Å; Q580-P582 WeakPolarHBondContact O-CD 3.44Å
581	L	41.3	Very low	50.3	Low	112 Å²	112	104.1 Å²	104.1	59%	0.586	57%	0.568	S	S	*	*	S	Bend	trans	-70.8	123.5	174.6	-82.3	151.8	0	0	0	109.7	R421	R421-L581 PolarHBondContact NH1-O 2.94Å
582	P	36.9	Very low	47.7	Very low	106 Å²	106	107.9 Å²	107.9	69%	0.688	61%	0.608	S	S	*	*			trans	-64.7	144.8	177.9	24.6	-30.3	0	0	0	110.3	Q580 S584	Q580-P582 WeakPolarHBondContact O-CD 3.44Å; P582-S584 PolarHBondContact O-N 3.35Å
583	A	36.3	Very low	45.4	Very low	90 Å²	90	111.1 Å²	111.1	74%	0.744	64%	0.637	S	S	*	*			trans	-64.2	99.2	172.5	0	0	0	0	0	109.3
584	S	30.8	Very low	42.9	Very low	103 Å²	103	110.9 Å²	110.9	72%	0.72	65%	0.652	S	S	*	*			trans	-140.9	65.8	163.2	63.7	0	0	0	0	108.8	P582	P582-S584 PolarHBondContact O-N 3.35Å
585	E	29.8	Very low	40.2	Very low	193 Å²	193	116.3 Å²	116.3	90%	0.902	68%	0.684	S	S	*	*			trans	-160.1	47.2	154.7	-109.1	172.5	-148.4	0	0	109.2
586	E	29	Very low	37.7	Very low	198 Å²	198	122.7 Å²	122.7	93%	0.925	72%	0.723	S	S	*	*			trans	-101.7	93.4	146.4	-83.2	-171.8	167.9	0	0	106.3
587	V	28.1	Very low	35.3	Very low	134 Å²	134	125.6 Å²	125.6	81%	0.812	74%	0.744	S	S	*	*			trans	-117.2	109.4	154.7	178.5	0	0	0	0	106.7	G589	V587-G589 PolarHBondContact O-N 2.88Å
588	T	27.4	Very low	32.9	Very low	142 Å²	142	124.7 Å²	124.7	87%	0.871	75%	0.751	S	S	*	*			trans	-41	121.5	159.8	37.9	0	0	0	0	111.5
589	G	23.8	Very low	30.6	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	79%	0.785	S	S	*	*			trans	-141.6	83.4	172.6	0	0	0	0	0	110	V587	V587-G589 PolarHBondContact O-N 2.88Å
590	N	24.5	Very low	29	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	81%	0.805	S	S	*	*			trans	-45.4	146.3	171.6	-102.6	-21.1	0	0	0	113.3
591	Y	26.9	Very low	27.8	Very low	230 Å²	230	134.8 Å²	134.8	90%	0.902	81%	0.806	S	S	*	*			trans	7.9	120.1	145.7	-77.3	-91.5	0	0	0	117.6
592	G	23.4	Very low	27.1	Very low	83 Å²	83	136.8 Å²	136.8	86%	0.856	82%	0.823	S	S	*	*			trans	-150.5	68.3	167.6	0	0	0	0	0	112.1
593	A	26.6	Very low	26.7	Very low	104 Å²	104	137.1 Å²	137.1	86%	0.86	82%	0.823	S	S	*	*			trans	-107.4	95	160.2	0	0	0	0	0	108.6
594	A	25.1	Very low	26.3	Very low	99 Å²	99	141.8 Å²	141.8	82%	0.818	83%	0.829	S	S	*	*			trans	-163.6	116.8	149.6	0	0	0	0	0	110.6
595	N	24.1	Very low	26.1	Very low	153 Å²	153	142.2 Å²	142.2	82%	0.818	83%	0.832	S	S	*	*			trans	-48.1	142.2	159.7	-75.8	-38.1	0	0	0	111.5
596	T	24.7	Very low	26	Very low	135 Å²	135	139.3 Å²	139.3	83%	0.828	83%	0.828	S	S	*	*				176	143.3	120.4	27.3	0	0	0	0	112.2
597	S	24.7	Very low	26.4	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	82%	0.822	S	S	*	*			trans	75.1	94.8	163.2	72	0	0	0	0	118.3
598	L	26.6	Very low	26.4	Very low	160 Å²	160	141.2 Å²	141.2	84%	0.838	85%	0.845	S	S	*	*				165.6	74.1	120.4	-85.3	160.1	0	0	0	109.4
599	L	25.2	Very low	26.4	Very low	186 Å²	186	141.2 Å²	141.2	97%	0.974	84%	0.844	S	S	*	*			trans	-135.2	81.5	159.2	-91.5	166.4	0	0	0	107
600	S	23.6	Very low	26.5	Very low	90 Å²	90	144.7 Å²	144.7	63%	0.629	85%	0.848	S	S	*	*			trans	-112.4	119.1	159.2	54.2	0	0	0	0	107.4
601	E	24.1	Very low	26.6	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.822	85%	0.85	S	S	*	*			trans	66.6	107.5	150.8	-58.5	178.9	160	0	0	117.6
602	V	27.1	Very low	26.6	Very low	154 Å²	154	139.2 Å²	139.2	93%	0.933	85%	0.846	S	S	*	*				-147.2	130.1	102.8	178.7	0	0	0	0	109.6
603	V	29.6	Very low	26.8	Very low	114 Å²	114	142.7 Å²	142.7	69%	0.691	85%	0.846	S	S	*	*			trans	-71.3	143.1	-172	161.4	0	0	0	0	113.4	S605	V603-S605 PolarHBondContact O-N 2.84Å
604	H	26.8	Very low	26.8	Very low	188 Å²	188	145.3 Å²	145.3	87%	0.87	85%	0.845	S	S	*	*			trans	-56.5	125.3	156.9	-91.6	-43.9	0	0	0	111
605	S	26.5	Very low	27	Very low	112 Å²	112	148.6 Å²	148.6	78%	0.783	85%	0.847	S	S	*	*			trans	-144.5	104.5	152.2	43	0	0	0	0	110.3	V603	V603-S605 PolarHBondContact O-N 2.84Å
606	T	28.1	Very low	27.2	Very low	132 Å²	132	148.2 Å²	148.2	81%	0.81	85%	0.849	S	S	*	*			trans	-78.1	151.7	156.5	34	0	0	0	0	109.2
607	P	38.3	Very low	27.4	Very low	124 Å²	124	149.3 Å²	149.3	81%	0.805	85%	0.851	S	S	*	*			trans	-85	138.7	-171.2	33.9	-32	0	0	0	111.9
608	L	28.1	Very low	27.6	Very low	248 Å²	248	153.1 Å²	153.1	100%	1.298	86%	0.86	S	S	*	*			trans	-144.3	0	136.8	-101.1	169.1	0	0	0	108

Retrieved 608 of 608 residues in 1232.5 ms (Link to these results)

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