A0A077Z6D6_TRITR Loading...

Oxidation resistance protein 1

AlphaFold DB , UniProt , Accession A0A077Z6D6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 621 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	67.7	Low	239 Å²	239	105.6 Å²	105.6	100%	1.177	57%	0.567	S	S	*	*				0	109.1	0	-61.9	-178.8	-157	0	0	107.2	G3	M1-G3 PolarHBondContact O-N 3.26Å
2	S	37	Very low	69.7	Low	102 Å²	102	97.2 Å²	97.2	71%	0.713	52%	0.521	S	S	*	.			trans	-93	89.9	177.4	-179.1	0	0	0	0	107.8
3	G	44.3	Very low	71.2	Confident	36 Å²	36	98.2 Å²	98.2	37%	0.371	52%	0.521	S	S	.	.			trans	-67	131.6	171.7	0	0	0	0	0	110	M1	M1-G3 PolarHBondContact O-N 3.26Å
4	F	53.3	Low	72	Confident	156 Å²	156	99.3 Å²	99.3	68%	0.684	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	127	171.1	-67.6	-88.5	0	0	0	108.6	T6	F4-T6 PolarHBondContact O-N 3.32Å
5	I	60.7	Low	73	Confident	116 Å²	116	106.5 Å²	106.5	60%	0.595	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.6	111.9	174.1	-57.4	173	0	0	0	107.6	P52	I5-P52 HydrophobicContact CG2-CB 3.87Å
6	T	73.3	Confident	73.8	Confident	69 Å²	69	101.5 Å²	101.5	42%	0.423	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	159.5	170.7	165.6	0	0	0	0	109.6	F4 P52 V53 V55	F4-T6 PolarHBondContact O-N 3.32Å; T6-P52 CarbonylContact O-C 3.55Å; T6-P52 WeakPolarHBondContact O-CA 3.36Å; T6-V53 HydrophobicContact CG2-CB 4.3Å; T6-V53 WeakPolarHBondContact CG2-O 3.45Å; T6-V53 PolarHBondContact N-O 2.75Å; T6-V53 PolarHBondContact O-N 2.98Å; T6-V55 HydrophobicContact CG2-CB 4.27Å; T6-V55 HydrophobicContact CG2-CG2 3.35Å
7	T	83.7	Confident	74.9	Confident	72 Å²	72	99.9 Å²	99.9	44%	0.442	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.3	-179.1	54.6	0	0	0	0	111.1	L35 V51	T7-L35 HydrophobicContact CG2-CD1 4.07Å; T7-L35 HydrophobicContact CG2-CD2 3.87Å; T7-V51 CarbonylContact C-O 3.56Å; T7-V51 WeakPolarHBondContact CA-O 3.3Å
8	K	85.6	Confident	75.7	Confident	134 Å²	134	94.4 Å²	94.4	58%	0.583	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.6	175.1	-178.4	179.1	175.4	-176.3	0	110	L50 V51 V53	K8-L50 WeakPolarHBondContact O-CA 3.45Å; K8-V51 PolarHBondContact N-O 3.35Å; K8-V51 PolarHBondContact O-N 3.37Å; K8-V53 HydrophobicContact CB-CG2 3.72Å
9	L	89.3	Confident	76.5	Confident	123 Å²	123	93.3 Å²	93.3	64%	0.644	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	127.3	170	-73.4	163.7	0	0	0	110.3	L49 L50	L9-L49 CarbonylContact C-O 3.6Å; L9-L50 HydrophobicContact CD2-CD2 3.78Å; L9-L50 HydrophobicContact CD2-CG 4.35Å; L9-L50 HydrophobicContact CG-CD2 4.27Å
10	Y	90.1	Very high	77.1	Confident	48 Å²	48	89.9 Å²	89.9	19%	0.188	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129	175.8	-178	-92	0	0	0	110	D16 I21 T48 L49 V51	Y10-D16 WeakPolarHBondContact CE1-OD2 3.27Å; Y10-D16 PolarHBondContact OH-OD2 3.1Å; Y10-I21 HydrophobicContact CD1-CD1 3.98Å; Y10-I21 HydrophobicContact CD1-CG1 4.26Å; Y10-I21 HydrophobicContact CD1-CG2 4.01Å; Y10-I21 HydrophobicContact CE1-CD1 3.59Å; Y10-I21 HydrophobicContact CE1-CG1 3.67Å; Y10-I21 HydrophobicContact CE1-CG2 4.19Å; Y10-I21 HydrophobicContact CG-CG2 4.43Å; Y10-T48 CarbonylContact O-C 3.52Å; Y10-T48 WeakPolarHBondContact O-CA 3.38Å; Y10-L49 PolarHBondContact N-O 3.34Å; Y10-L49 PolarHBondContact O-N 3.4Å; Y10-V51 HydrophobicContact CG-CG2 4.47Å
11	T	90.6	Very high	77.8	Confident	67 Å²	67	85.6 Å²	85.6	41%	0.411	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.7	174.6	-53.1	0	0	0	0	109.4	Q13 Q47	T11-Q13 PolarHBondContact O-N 3.13Å; T11-Q13 PolarHBondContact O-NE2 3.41Å; T11-Q47 WeakPolarHBondContact CA-O 3.33Å
12	V	91.9	Very high	80.3	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.024	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-58	123.5	179.2	177.6	0	0	0	0	110.1	D16 I21 I43 F44 G46 Q47 L49	V12-D16 HydrophobicContact CG1-CB 3.99Å; V12-I21 HydrophobicContact CG2-CD1 3.95Å; V12-I43 HydrophobicContact CG1-CB 4.34Å; V12-I43 HydrophobicContact CG1-CD1 3.83Å; V12-I43 HydrophobicContact CG1-CG1 4.2Å; V12-I43 HydrophobicContact CG2-CB 4.35Å; V12-I43 HydrophobicContact CG2-CD1 4.31Å; V12-F44 WeakPolarHBondContact CB-O 3.48Å; V12-F44 WeakPolarHBondContact CG1-O 3.22Å; V12-G46 PolarHBondContact O-N 2.95Å; V12-Q47 HydrophobicContact CB-CB 4.44Å; V12-Q47 HydrophobicContact CG2-CB 4.2Å; V12-Q47 WeakPolarHBondContact CG2-O 3.43Å; V12-Q47 PolarHBondContact N-O 3.42Å; V12-L49 HydrophobicContact CG2-CD1 3.61Å; V12-L49 HydrophobicContact CG2-CG 3.94Å
13	Q	89.3	Confident	82.6	Confident	110 Å²	110	73 Å²	73	51%	0.514	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-87.6	166.2	176.1	-57.7	-58.2	-59.4	0	0	111.3	T11 F15 D16	T11-Q13 PolarHBondContact O-N 3.13Å; T11-Q13 PolarHBondContact O-NE2 3.41Å; Q13-F15 PolarHBondContact O-N 2.95Å; Q13-D16 WeakPolarHBondContact CB-OD2 2.92Å; Q13-D16 PolarHBondContact N-OD2 3.5Å; Q13-D16 WeakPolarHBondContact O-CB 3.39Å; Q13-D16 PolarHBondContact O-N 3.15Å
14	D	82.3	Confident	84.6	Confident	114 Å²	114	79.2 Å²	79.2	61%	0.61	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	133.5	168	-63	-22.9	0	0	0	109.1	D16 S45	D14-D16 VanDerWaalsContact C-N 3.25Å; D14-D16 PolarHBondContact O-N 2.82Å; D14-S45 WeakPolarHBondContact OD1-CB 3.42Å
15	F	86.5	Confident	86.1	Confident	207 Å²	207	73.8 Å²	73.8	91%	0.908	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	6	-177.4	-44.9	-79.6	0	0	0	116.8	Q13	Q13-F15 PolarHBondContact O-N 2.95Å
16	D	86.8	Confident	87.2	Confident	27 Å²	27	75.3 Å²	75.3	14%	0.144	39%	0.391	C	S	.	.			trans	-67.4	141.2	168.6	-84.3	-23.5	0	0	0	110.5	Y10 V12 Q13 D14 I21 R24	Y10-D16 WeakPolarHBondContact CE1-OD2 3.27Å; Y10-D16 PolarHBondContact OH-OD2 3.1Å; V12-D16 HydrophobicContact CG1-CB 3.99Å; Q13-D16 WeakPolarHBondContact CB-OD2 2.92Å; Q13-D16 PolarHBondContact N-OD2 3.5Å; Q13-D16 WeakPolarHBondContact O-CB 3.39Å; Q13-D16 PolarHBondContact O-N 3.15Å; D14-D16 VanDerWaalsContact C-N 3.25Å; D14-D16 PolarHBondContact O-N 2.82Å; D16-I21 HydrophobicContact CB-CD1 4.09Å; D16-I21 HydrophobicContact CB-CG1 4.26Å; D16-R24 IonicContact OD1-NH1 2.64Å; D16-R24 PolarHBondContact OD1-NH1 3.12Å
17	T	91.2	Very high	87.7	Confident	74 Å²	74	72.7 Å²	72.7	45%	0.454	38%	0.376	S	S	.	.			trans	-111.5	150.7	170.4	55.9	0	0	0	0	109.3	E19 G20 I21	T17-E19 PolarHBondContact O-N 3.31Å; T17-G20 PolarHBondContact O-N 3.47Å; T17-G20 PolarHBondContact OG1-N 3.48Å; T17-G20 VanDerWaalsContact OG1-N 3.12Å; T17-I21 WeakPolarHBondContact O-CG1 3.34Å; T17-I21 PolarHBondContact O-N 3.3Å
18	L	89.3	Confident	87.8	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-34.4	179.2	-171.3	67.4	0	0	0	110.8	A22 I29 L32 M33 R41 I43 L49	L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.37Å; L18-A22 PolarHBondContact O-N 3.26Å; L18-I29 HydrophobicContact CD2-CG2 3.69Å; L18-I29 HydrophobicContact CG-CG2 4.13Å; L18-L32 HydrophobicContact CD1-CD2 3.62Å; L18-M33 HydrophobicContact CD2-CG 3.83Å; L18-M33 HydrophobicContact CD2-SD 4.22Å; L18-R41 HydrophobicContact CD2-CB 4.1Å; L18-R41 HydrophobicContact CD2-CG 4.29Å; L18-I43 HydrophobicContact CB-CD1 4.31Å; L18-I43 HydrophobicContact CB-CG2 4.43Å; L18-I43 HydrophobicContact CD1-CG2 3.84Å; L18-L49 HydrophobicContact CD1-CD1 4.27Å
19	E	91.1	Very high	88	Confident	74 Å²	74	69 Å²	69	35%	0.346	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-50.8	171.3	-65	62.5	-148.1	0	0	111.3	T17 A22 A23 I29 R41	T17-E19 PolarHBondContact O-N 3.31Å; E19-A22 PolarHBondContact O-N 3.18Å; E19-A23 WeakPolarHBondContact O-CB 3.37Å; E19-A23 PolarHBondContact O-N 3.31Å; E19-I29 HydrophobicContact CB-CD1 4.4Å; E19-I29 HydrophobicContact CG-CD1 3.7Å; E19-R41 IonicContact OE1-CZ 2.94Å; E19-R41 IonicContact OE1-NE 2.81Å; E19-R41 PolarHBondContact OE1-NE 3.4Å; E19-R41 IonicContact OE1-NH2 3.81Å; E19-R41 PolarHBondContact OE1-NH2 3.49Å
20	G	90	Very high	87.9	Confident	24 Å²	24	65.4 Å²	65.4	25%	0.247	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-39.8	179.6	0	0	0	0	0	112.7	T17 R24	T17-G20 PolarHBondContact O-N 3.47Å; T17-G20 PolarHBondContact OG1-N 3.48Å; T17-G20 VanDerWaalsContact OG1-N 3.12Å; G20-R24 WeakPolarHBondContact O-CB 3.49Å; G20-R24 VanDerWaalsContact O-CG 3.25Å; G20-R24 WeakPolarHBondContact O-CG 3.37Å; G20-R24 PolarHBondContact O-N 3.27Å
21	I	90.2	Very high	87.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.1	-43.6	176.8	-61	168.6	0	0	0	110.6	Y10 V12 D16 T17 R24 N25 L32 I43 L49 V51	Y10-I21 HydrophobicContact CD1-CD1 3.98Å; Y10-I21 HydrophobicContact CD1-CG1 4.26Å; Y10-I21 HydrophobicContact CD1-CG2 4.01Å; Y10-I21 HydrophobicContact CE1-CD1 3.59Å; Y10-I21 HydrophobicContact CE1-CG1 3.67Å; Y10-I21 HydrophobicContact CE1-CG2 4.19Å; Y10-I21 HydrophobicContact CG-CG2 4.43Å; V12-I21 HydrophobicContact CG2-CD1 3.95Å; D16-I21 HydrophobicContact CB-CD1 4.09Å; D16-I21 HydrophobicContact CB-CG1 4.26Å; T17-I21 WeakPolarHBondContact O-CG1 3.34Å; T17-I21 PolarHBondContact O-N 3.3Å; I21-R24 PolarHBondContact O-N 3Å; I21-N25 PolarHBondContact O-N 2.81Å; I21-N25 PolarHBondContact O-ND2 2.69Å; I21-L32 HydrophobicContact CB-CD2 4.3Å; I21-L32 HydrophobicContact CG2-CD2 3.84Å; I21-I43 HydrophobicContact CD1-CD1 3.79Å; I21-L49 HydrophobicContact CD1-CD1 3.99Å; I21-V51 HydrophobicContact CG2-CG2 4.14Å
22	A	89.5	Confident	87.6	Confident	3 Å²	3	64 Å²	64	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-47.1	178.6	0	0	0	0	0	111.5	L18 E19 R24 N25 D26 S27 I29	L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.37Å; L18-A22 PolarHBondContact O-N 3.26Å; E19-A22 PolarHBondContact O-N 3.18Å; A22-R24 PolarHBondContact O-N 3.06Å; A22-N25 CarbonylContact O-C 3.55Å; A22-N25 PolarHBondContact O-N 3.46Å; A22-D26 PolarHBondContact O-N 3.17Å; A22-S27 CarbonylContact C-O 3.47Å; A22-S27 WeakPolarHBondContact CB-O 3.29Å; A22-S27 PolarHBondContact O-N 3.16Å; A22-I29 HydrophobicContact CB-CG1 4.17Å
23	A	86.6	Confident	87.5	Confident	74 Å²	74	65.7 Å²	65.7	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-63.2	-37.9	178.2	0	0	0	0	0	113.1	E19 N25	E19-A23 WeakPolarHBondContact O-CB 3.37Å; E19-A23 PolarHBondContact O-N 3.31Å; A23-N25 PolarHBondContact O-N 3.42Å
24	R	85.6	Confident	87.5	Confident	167 Å²	167	69 Å²	69	63%	0.63	37%	0.367	S	S	*	.	H	α-helix	trans	-66.9	-17	178	-79.1	177	-175.4	165.8	6.5	114.2	D16 G20 I21 A22	D16-R24 IonicContact OD1-NH1 2.64Å; D16-R24 PolarHBondContact OD1-NH1 3.12Å; G20-R24 WeakPolarHBondContact O-CB 3.49Å; G20-R24 VanDerWaalsContact O-CG 3.25Å; G20-R24 WeakPolarHBondContact O-CG 3.37Å; G20-R24 PolarHBondContact O-N 3.27Å; I21-R24 PolarHBondContact O-N 3Å; A22-R24 PolarHBondContact O-N 3.06Å
25	N	83.7	Confident	87.8	Confident	41 Å²	41	66.4 Å²	66.4	22%	0.219	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	28.5	-174.2	-60.7	-92.5	0	0	0	112	I21 A22 A23 S27 V51	I21-N25 PolarHBondContact O-N 2.81Å; I21-N25 PolarHBondContact O-ND2 2.69Å; A22-N25 CarbonylContact O-C 3.55Å; A22-N25 PolarHBondContact O-N 3.46Å; A23-N25 PolarHBondContact O-N 3.42Å; N25-S27 PolarHBondContact O-N 3.4Å; N25-V51 HydrophobicContact CB-CG1 3.17Å
26	D	84.2	Confident	87.9	Confident	148 Å²	148	58.1 Å²	58.1	79%	0.791	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	37.7	176.3	-60	-46.7	0	0	0	113.7	A22	A22-D26 PolarHBondContact O-N 3.17Å
27	S	83.4	Confident	88	Confident	15 Å²	15	68 Å²	68	11%	0.105	35%	0.353	C	S	.	.			trans	-119.6	158.5	-176.7	-172.4	0	0	0	0	110.6	A22 N25 P52	A22-S27 CarbonylContact C-O 3.47Å; A22-S27 WeakPolarHBondContact CB-O 3.29Å; A22-S27 PolarHBondContact O-N 3.16Å; N25-S27 PolarHBondContact O-N 3.4Å; S27-P52 WeakPolarHBondContact OG-CG 3.3Å
28	T	87.3	Confident	87.6	Confident	83 Å²	83	65.5 Å²	65.5	51%	0.509	34%	0.337	S	S	.	.			trans	-91.3	153.4	171	66.9	0	0	0	0	110.8	G30 Q31 L32	T28-G30 PolarHBondContact O-N 3.08Å; T28-Q31 PolarHBondContact O-N 3.27Å; T28-Q31 VanDerWaalsContact O-N 3.08Å; T28-Q31 WeakPolarHBondContact OG1-CB 3.43Å; T28-Q31 PolarHBondContact OG1-N 3.48Å; T28-Q31 VanDerWaalsContact OG1-N 3.15Å; T28-L32 PolarHBondContact O-N 3.43Å
29	I	89.7	Confident	87.2	Confident	44 Å²	44	71.2 Å²	71.2	23%	0.226	37%	0.374	C	S	.	.	H	α-helix	trans	-56.8	-42.9	176.1	-58.2	171.2	0	0	0	110.5	L18 E19 A22 Q31 L32 M33	L18-I29 HydrophobicContact CD2-CG2 3.69Å; L18-I29 HydrophobicContact CG-CG2 4.13Å; E19-I29 HydrophobicContact CB-CD1 4.4Å; E19-I29 HydrophobicContact CG-CD1 3.7Å; A22-I29 HydrophobicContact CB-CG1 4.17Å; I29-Q31 VanDerWaalsContact C-N 3.33Å; I29-Q31 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 2.74Å; I29-M33 HydrophobicContact CG2-CG 4.31Å; I29-M33 HydrophobicContact CG2-SD 4Å; I29-M33 WeakPolarHBondContact O-CB 3.46Å; I29-M33 VanDerWaalsContact O-CG 3.29Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 2.72Å
30	G	87.3	Confident	86.9	Confident	48 Å²	48	71.6 Å²	71.6	50%	0.495	38%	0.378	S	S	.	.	H	α-helix	trans	-61.3	-39.9	176.6	0	0	0	0	0	112.7	T28 K34	T28-G30 PolarHBondContact O-N 3.08Å; G30-K34 WeakPolarHBondContact O-CB 3.31Å; G30-K34 PolarHBondContact O-N 3.26Å
31	Q	85.1	Confident	86.9	Confident	87 Å²	87	77.4 Å²	77.4	41%	0.407	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-40.4	176.2	-172	165.1	-8.9	0	0	112	T28 I29 K34 L35	T28-Q31 PolarHBondContact O-N 3.27Å; T28-Q31 VanDerWaalsContact O-N 3.08Å; T28-Q31 WeakPolarHBondContact OG1-CB 3.43Å; T28-Q31 PolarHBondContact OG1-N 3.48Å; T28-Q31 VanDerWaalsContact OG1-N 3.15Å; I29-Q31 VanDerWaalsContact C-N 3.33Å; I29-Q31 PolarHBondContact O-N 3.43Å; Q31-K34 PolarHBondContact O-N 3.47Å; Q31-L35 WeakPolarHBondContact O-CB 3.49Å; Q31-L35 PolarHBondContact O-N 3.42Å
32	L	88.1	Confident	86.7	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-63.9	-44.5	174.3	-132.1	83.9	0	0	0	112.1	L18 I21 T28 I29 L35 N36 L49 V51	L18-L32 HydrophobicContact CD1-CD2 3.62Å; I21-L32 HydrophobicContact CB-CD2 4.3Å; I21-L32 HydrophobicContact CG2-CD2 3.84Å; T28-L32 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 2.74Å; L32-L35 PolarHBondContact O-N 3.43Å; L32-N36 WeakPolarHBondContact O-CB 3.32Å; L32-N36 PolarHBondContact O-N 2.86Å; L32-N36 PolarHBondContact O-ND2 2.76Å; L32-L49 HydrophobicContact CD2-CD1 4.38Å; L32-V51 HydrophobicContact CD1-CB 4.45Å; L32-V51 HydrophobicContact CD1-CG1 4.04Å; L32-V51 HydrophobicContact CD1-CG2 4.26Å
33	M	90.9	Very high	86.8	Confident	38 Å²	38	82.3 Å²	82.3	19%	0.187	42%	0.421	C	S	.	.	H	α-helix	trans	-64.1	-43.1	177.2	-72.9	-179.3	65.4	0	0	111.5	L18 I29 N36 R37 M38 N40 R41	L18-M33 HydrophobicContact CD2-CG 3.83Å; L18-M33 HydrophobicContact CD2-SD 4.22Å; I29-M33 HydrophobicContact CG2-CG 4.31Å; I29-M33 HydrophobicContact CG2-SD 4Å; I29-M33 WeakPolarHBondContact O-CB 3.46Å; I29-M33 VanDerWaalsContact O-CG 3.29Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 2.72Å; M33-N36 CarbonylContact O-C 3.59Å; M33-N36 PolarHBondContact O-N 3.22Å; M33-R37 WeakPolarHBondContact O-CA 3.49Å; M33-R37 PolarHBondContact O-N 3.13Å; M33-M38 HydrophobicContact CB-CB 4.41Å; M33-M38 WeakPolarHBondContact CE-O 3.24Å; M33-M38 HydrophobicContact CG-CB 4.39Å; M33-M38 PolarHBondContact O-N 3.18Å; M33-N40 WeakPolarHBondContact CE-O 3.41Å; M33-R41 HydrophobicContact SD-CG 3.93Å
34	K	87.9	Confident	86.9	Confident	181 Å²	181	85.5 Å²	85.5	79%	0.787	42%	0.421	S	S	*	.	H	α-helix	trans	-64.6	-42.3	176.9	-171.9	174.4	-177	176.1	0	111.6	G30 Q31 N36 R37	G30-K34 WeakPolarHBondContact O-CB 3.31Å; G30-K34 PolarHBondContact O-N 3.26Å; Q31-K34 PolarHBondContact O-N 3.47Å; K34-N36 VanDerWaalsContact C-N 3.3Å; K34-N36 PolarHBondContact O-N 3.02Å; K34-R37 PolarHBondContact O-N 2.84Å
35	L	88.5	Confident	87	Confident	59 Å²	59	81.1 Å²	81.1	31%	0.309	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-33.5	179	-170.7	62.1	0	0	0	112.3	T7 Q31 L32 L50	T7-L35 HydrophobicContact CG2-CD1 4.07Å; T7-L35 HydrophobicContact CG2-CD2 3.87Å; Q31-L35 WeakPolarHBondContact O-CB 3.49Å; Q31-L35 PolarHBondContact O-N 3.42Å; L32-L35 PolarHBondContact O-N 3.43Å; L35-L50 HydrophobicContact CD2-CB 3.8Å; L35-L50 WeakPolarHBondContact CD2-O 3.34Å; L35-L50 HydrophobicContact CG-CB 3.75Å
36	N	89.3	Confident	86.9	Confident	33 Å²	33	81.7 Å²	81.7	18%	0.176	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	4.9	-179	-69.8	-74	0	0	0	114.9	L32 M33 K34 M38 L49 L50	L32-N36 WeakPolarHBondContact O-CB 3.32Å; L32-N36 PolarHBondContact O-N 2.86Å; L32-N36 PolarHBondContact O-ND2 2.76Å; M33-N36 CarbonylContact O-C 3.59Å; M33-N36 PolarHBondContact O-N 3.22Å; K34-N36 VanDerWaalsContact C-N 3.3Å; K34-N36 PolarHBondContact O-N 3.02Å; N36-M38 HydrophobicContact CB-CG 3.86Å; N36-M38 HydrophobicContact CB-SD 4.08Å; N36-M38 PolarHBondContact O-N 3.2Å; N36-L49 HydrophobicContact CB-CD2 4.11Å; N36-L49 VanDerWaalsContact OD1-CA 3.31Å; N36-L49 WeakPolarHBondContact OD1-CA 3.45Å; N36-L50 PolarHBondContact ND2-O 2.92Å; N36-L50 PolarHBondContact OD1-N 3.46Å
37	R	88.6	Confident	87.2	Confident	234 Å²	234	77.5 Å²	77.5	88%	0.883	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	40.3	-177.7	-54.9	-179.2	-179.4	-169	-0.5	113.2	M33 K34	M33-R37 WeakPolarHBondContact O-CA 3.49Å; M33-R37 PolarHBondContact O-N 3.13Å; K34-R37 PolarHBondContact O-N 2.84Å
38	M	83.8	Confident	87.4	Confident	22 Å²	22	81 Å²	81	11%	0.108	43%	0.428	C	S	.	.			trans	-86.7	128.9	-177.9	-68.3	179.5	59.6	0	0	111.5	M33 N36 N40 T42 I43 L49	M33-M38 HydrophobicContact CB-CB 4.41Å; M33-M38 WeakPolarHBondContact CE-O 3.24Å; M33-M38 HydrophobicContact CG-CB 4.39Å; M33-M38 PolarHBondContact O-N 3.18Å; N36-M38 HydrophobicContact CB-CG 3.86Å; N36-M38 HydrophobicContact CB-SD 4.08Å; N36-M38 PolarHBondContact O-N 3.2Å; M38-N40 WeakPolarHBondContact CE-O 3.39Å; M38-T42 WeakPolarHBondContact CE-O 3.25Å; M38-I43 HydrophobicContact CE-CG2 3.63Å; M38-I43 HydrophobicContact SD-CG2 4.37Å; M38-L49 HydrophobicContact SD-CD2 3.7Å
39	P	80.2	Confident	87.6	Confident	121 Å²	121	77 Å²	77	79%	0.786	40%	0.404	S	S	*	.	S	Bend	trans	-78.9	-18.6	-179.9	31	-34.8	0	0	0	113.5
40	N	85.4	Confident	87.5	Confident	82 Å²	82	77.8 Å²	77.8	44%	0.439	41%	0.408	S	S	.	.	S	Bend	trans	-148.2	175.8	-177	59.8	24.3	0	0	0	110.7	M33 M38 T42	M33-N40 WeakPolarHBondContact CE-O 3.41Å; M38-N40 WeakPolarHBondContact CE-O 3.39Å; N40-T42 VanDerWaalsContact C-N 3.31Å; N40-T42 PolarHBondContact ND2-OG1 3.14Å; N40-T42 PolarHBondContact O-N 3.07Å; N40-T42 PolarHBondContact OD1-N 3.43Å; N40-T42 PolarHBondContact OD1-OG1 3.23Å
41	R	88.8	Confident	87.6	Confident	145 Å²	145	75.5 Å²	75.5	55%	0.547	39%	0.385	S	S	.	.	S	Bend	trans	-84	0.5	-175.2	-63.6	169.9	84.1	162.4	6.9	114.1	L18 E19 M33	L18-R41 HydrophobicContact CD2-CB 4.1Å; L18-R41 HydrophobicContact CD2-CG 4.29Å; E19-R41 IonicContact OE1-CZ 2.94Å; E19-R41 IonicContact OE1-NE 2.81Å; E19-R41 PolarHBondContact OE1-NE 3.4Å; E19-R41 IonicContact OE1-NH2 3.81Å; E19-R41 PolarHBondContact OE1-NH2 3.49Å; M33-R41 HydrophobicContact SD-CG 3.93Å
42	T	87.7	Confident	87.4	Confident	78 Å²	78	71.8 Å²	71.8	48%	0.479	37%	0.369	S	S	.	.			trans	-75.5	126.1	-177.9	15.2	0	0	0	0	111.5	M38 N40	M38-T42 WeakPolarHBondContact CE-O 3.25Å; N40-T42 VanDerWaalsContact C-N 3.31Å; N40-T42 PolarHBondContact ND2-OG1 3.14Å; N40-T42 PolarHBondContact O-N 3.07Å; N40-T42 PolarHBondContact OD1-N 3.43Å; N40-T42 PolarHBondContact OD1-OG1 3.23Å
43	I	90.6	Very high	86.9	Confident	29 Å²	29	74.2 Å²	74.2	15%	0.149	38%	0.383	C	S	.	.			trans	-121.7	152	172.4	56.3	176.7	0	0	0	109.8	V12 L18 I21 M38 L49	V12-I43 HydrophobicContact CG1-CB 4.34Å; V12-I43 HydrophobicContact CG1-CD1 3.83Å; V12-I43 HydrophobicContact CG1-CG1 4.2Å; V12-I43 HydrophobicContact CG2-CB 4.35Å; V12-I43 HydrophobicContact CG2-CD1 4.31Å; L18-I43 HydrophobicContact CB-CD1 4.31Å; L18-I43 HydrophobicContact CB-CG2 4.43Å; L18-I43 HydrophobicContact CD1-CG2 3.84Å; I21-I43 HydrophobicContact CD1-CD1 3.79Å; M38-I43 HydrophobicContact CE-CG2 3.63Å; M38-I43 HydrophobicContact SD-CG2 4.37Å; I43-L49 HydrophobicContact CG2-CD1 4.12Å
44	F	88.5	Confident	85.6	Confident	140 Å²	140	77.4 Å²	77.4	61%	0.614	40%	0.4	S	S	*	.			trans	-117.5	141.6	178	-59.9	-84.4	0	0	0	110.7	V12 G46 Q47	V12-F44 WeakPolarHBondContact CB-O 3.48Å; V12-F44 WeakPolarHBondContact CG1-O 3.22Å; F44-G46 PolarHBondContact O-N 3.32Å; F44-Q47 VanDerWaalsContact N-OE1 3.12Å; F44-Q47 WeakPolarHBondContact O-CB 3.32Å; F44-Q47 PolarHBondContact O-N 3.47Å
45	S	88.2	Confident	84.2	Confident	75 Å²	75	72.6 Å²	72.6	52%	0.524	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	127.7	169.9	50.3	0	0	0	0	110.5	D14	D14-S45 WeakPolarHBondContact OD1-CB 3.42Å
46	G	82	Confident	82.2	Confident	54 Å²	54	77 Å²	77	56%	0.557	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-7	-175.3	0	0	0	0	0	115.4	V12 F44	V12-G46 PolarHBondContact O-N 2.95Å; F44-G46 PolarHBondContact O-N 3.32Å
47	Q	89.5	Confident	79.9	Confident	59 Å²	59	79.2 Å²	79.2	28%	0.276	43%	0.427	S	S	.	.			trans	-68.8	139.2	173.7	-174.3	175.8	-13.9	0	0	110.8	T11 V12 F44 L49	T11-Q47 WeakPolarHBondContact CA-O 3.33Å; V12-Q47 HydrophobicContact CB-CB 4.44Å; V12-Q47 HydrophobicContact CG2-CB 4.2Å; V12-Q47 WeakPolarHBondContact CG2-O 3.43Å; V12-Q47 PolarHBondContact N-O 3.42Å; F44-Q47 VanDerWaalsContact N-OE1 3.12Å; F44-Q47 WeakPolarHBondContact O-CB 3.32Å; F44-Q47 PolarHBondContact O-N 3.47Å; Q47-L49 HydrophobicContact CG-CD2 4.38Å
48	T	89	Confident	77.6	Confident	88 Å²	88	74 Å²	74	54%	0.54	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.9	176.1	48.3	0	0	0	0	110.8	Y10	Y10-T48 CarbonylContact O-C 3.52Å; Y10-T48 WeakPolarHBondContact O-CA 3.38Å
49	L	90.2	Very high	75.5	Confident	1 Å²	1	80 Å²	80	1%	0.005	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.7	-179.9	-61.1	177.1	0	0	0	110.3	L9 Y10 V12 L18 I21 L32 N36 M38 I43 Q47 V51	L9-L49 CarbonylContact C-O 3.6Å; Y10-L49 PolarHBondContact N-O 3.34Å; Y10-L49 PolarHBondContact O-N 3.4Å; V12-L49 HydrophobicContact CG2-CD1 3.61Å; V12-L49 HydrophobicContact CG2-CG 3.94Å; L18-L49 HydrophobicContact CD1-CD1 4.27Å; I21-L49 HydrophobicContact CD1-CD1 3.99Å; L32-L49 HydrophobicContact CD2-CD1 4.38Å; N36-L49 HydrophobicContact CB-CD2 4.11Å; N36-L49 VanDerWaalsContact OD1-CA 3.31Å; N36-L49 WeakPolarHBondContact OD1-CA 3.45Å; M38-L49 HydrophobicContact SD-CD2 3.7Å; I43-L49 HydrophobicContact CG2-CD1 4.12Å; Q47-L49 HydrophobicContact CG-CD2 4.38Å; L49-V51 HydrophobicContact CB-CG2 4.45Å
50	L	88.9	Confident	73.6	Confident	59 Å²	59	81 Å²	81	31%	0.309	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.6	164.6	-68.5	167.2	0	0	0	109.2	K8 L9 L35 N36	K8-L50 WeakPolarHBondContact O-CA 3.45Å; L9-L50 HydrophobicContact CD2-CD2 3.78Å; L9-L50 HydrophobicContact CD2-CG 4.35Å; L9-L50 HydrophobicContact CG-CD2 4.27Å; L35-L50 HydrophobicContact CD2-CB 3.8Å; L35-L50 WeakPolarHBondContact CD2-O 3.34Å; L35-L50 HydrophobicContact CG-CB 3.75Å; N36-L50 PolarHBondContact ND2-O 2.92Å; N36-L50 PolarHBondContact OD1-N 3.46Å
51	V	89.1	Confident	71.2	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.006	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.5	-177.2	-177.2	0	0	0	0	108.7	T7 K8 Y10 I21 N25 L32 L49	T7-V51 CarbonylContact C-O 3.56Å; T7-V51 WeakPolarHBondContact CA-O 3.3Å; K8-V51 PolarHBondContact N-O 3.35Å; K8-V51 PolarHBondContact O-N 3.37Å; Y10-V51 HydrophobicContact CG-CG2 4.47Å; I21-V51 HydrophobicContact CG2-CG2 4.14Å; N25-V51 HydrophobicContact CB-CG1 3.17Å; L32-V51 HydrophobicContact CD1-CB 4.45Å; L32-V51 HydrophobicContact CD1-CG1 4.04Å; L32-V51 HydrophobicContact CD1-CG2 4.26Å; L49-V51 HydrophobicContact CB-CG2 4.45Å
52	P	80.9	Confident	68.6	Low	9 Å²	9	86.1 Å²	86.1	6%	0.058	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.6	179.5	29.9	-33.6	0	0	0	110.8	I5 T6 S27	I5-P52 HydrophobicContact CG2-CB 3.87Å; T6-P52 CarbonylContact O-C 3.55Å; T6-P52 WeakPolarHBondContact O-CA 3.36Å; S27-P52 WeakPolarHBondContact OG-CG 3.3Å
53	V	76.2	Confident	66.4	Low	50 Å²	50	89.3 Å²	89.3	30%	0.303	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.2	173.9	-179.7	0	0	0	0	106.8	T6 K8 V55	T6-V53 HydrophobicContact CG2-CB 4.3Å; T6-V53 WeakPolarHBondContact CG2-O 3.45Å; T6-V53 PolarHBondContact N-O 2.75Å; T6-V53 PolarHBondContact O-N 2.98Å; K8-V53 HydrophobicContact CB-CG2 3.72Å; V53-V55 HydrophobicContact CG1-CG2 4.21Å; V53-V55 PolarHBondContact O-N 3.06Å
54	I	64.8	Low	63.7	Low	106 Å²	106	94.5 Å²	94.5	54%	0.544	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	111.9	173.6	-57.6	172.1	0	0	0	106.4
55	V	57.8	Low	61.2	Low	79 Å²	79	91.8 Å²	91.8	48%	0.479	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.3	170.8	-179.4	0	0	0	0	107	T6 V53 A57	T6-V55 HydrophobicContact CG2-CB 4.27Å; T6-V55 HydrophobicContact CG2-CG2 3.35Å; V53-V55 HydrophobicContact CG1-CG2 4.21Å; V53-V55 PolarHBondContact O-N 3.06Å; V55-A57 PolarHBondContact O-N 3.4Å
56	E	46.6	Very low	58.6	Low	151 Å²	151	96.3 Å²	96.3	71%	0.706	54%	0.537	S	S	*	.			trans	-68.6	122.9	168.2	-64.1	-169.4	163.1	0	0	108.1	T58	E56-T58 PolarHBondContact O-N 3.48Å; E56-T58 VanDerWaalsContact O-N 3.1Å
57	A	40.6	Very low	56.4	Low	80 Å²	80	97.3 Å²	97.3	66%	0.661	55%	0.547	S	S	*	.			trans	-70.6	103.8	172.5	0	0	0	0	0	108	V55	V55-A57 PolarHBondContact O-N 3.4Å
58	T	41	Very low	54	Low	126 Å²	126	100.2 Å²	100.2	77%	0.773	57%	0.574	S	S	*	*			trans	-87.7	113.9	166.9	51	0	0	0	0	108.2	E56 D60	E56-T58 PolarHBondContact O-N 3.48Å; E56-T58 VanDerWaalsContact O-N 3.1Å; T58-D60 PolarHBondContact O-N 3.3Å
59	D	40.7	Very low	51.4	Low	148 Å²	148	101.3 Å²	101.3	79%	0.791	58%	0.583	S	S	*	*			trans	-62.8	123.1	165.3	-64.6	-39.3	0	0	0	109.2
60	D	39.4	Very low	48.8	Very low	140 Å²	140	111.4 Å²	111.4	75%	0.749	63%	0.627	S	S	*	*			trans	55.8	112.7	147.5	-56.2	-31.4	0	0	0	121.1	T58	T58-D60 PolarHBondContact O-N 3.3Å
61	E	34.3	Very low	46.2	Very low	162 Å²	162	113 Å²	113	76%	0.757	65%	0.648	S	S	*	*				27.6	123.7	129.5	-55.4	-173.7	149.9	0	0	118.9
62	F	34.4	Very low	43.7	Very low	174 Å²	174	118.8 Å²	118.8	76%	0.763	69%	0.689	S	S	*	*				168.9	120.2	115.7	-101.5	-112.9	0	0	0	111.7
63	H	40.9	Very low	41.5	Very low	145 Å²	145	123.6 Å²	123.6	67%	0.671	72%	0.723	S	S	*	*			trans	60.7	109.9	152.4	-77.1	-75.9	0	0	0	124.4
64	D	35.1	Very low	39.6	Very low	138 Å²	138	126.3 Å²	126.3	74%	0.738	74%	0.741	S	S	*	*				61.2	117.1	115	-71.3	-26	0	0	0	123
65	A	36.5	Very low	37.9	Very low	82 Å²	82	128.4 Å²	128.4	68%	0.678	75%	0.752	S	S	*	*				90.7	112.5	123.2	0	0	0	0	0	120.5
66	N	33.7	Very low	36.7	Very low	170 Å²	170	131.3 Å²	131.3	91%	0.909	77%	0.769	S	S	*	*			trans	75	121.7	137.6	-75.8	-19	0	0	0	120.5
67	G	34.4	Very low	35.7	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	77%	0.771	S	S	*	*			trans	141.4	84.6	135.2	0	0	0	0	0	117.7
68	S	40.4	Very low	35.5	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	78%	0.781	S	S	*	*			trans	14.1	140.7	144.7	-161.5	0	0	0	0	122
69	P	33.7	Very low	34.8	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	79%	0.786	S	S	*	*			trans	-94.7	154.8	-171.9	38.4	-34.2	0	0	0	114.3
70	K	35.7	Very low	34.3	Very low	213 Å²	213	132.8 Å²	132.8	93%	0.926	78%	0.783	S	S	*	*			trans	-149.5	141.5	156	-80.1	-164.8	179.9	170.9	0	114.1
71	A	33.9	Very low	34	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	79%	0.787	S	S	*	*			trans	-48.6	154.6	178	0	0	0	0	0	117.8
72	S	37.4	Very low	33.6	Very low	122 Å²	122	136.3 Å²	136.3	85%	0.853	79%	0.792	S	S	*	*				166	133.2	110.6	43.3	0	0	0	0	113
73	S	34.8	Very low	33.4	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	80%	0.798	S	S	*	*			trans	-80.3	-171.4	168.7	-2.1	0	0	0	0	110.8
74	P	35.5	Very low	32.8	Very low	106 Å²	106	136.5 Å²	136.5	69%	0.688	80%	0.804	S	S	*	*			cis	-142.2	-166.3	-31	34.7	-12.2	0	0	0	113.7
75	I	28.7	Very low	32.4	Very low	150 Å²	150	133.7 Å²	133.7	77%	0.769	81%	0.807	S	S	*	*			trans	81.2	117.8	155.6	-57.6	156.4	0	0	0	118.2
76	V	33.5	Very low	32.2	Very low	140 Å²	140	138.1 Å²	138.1	85%	0.848	81%	0.813	S	S	*	*				-160.7	129.9	124	171.4	0	0	0	0	110.1
77	S	25.9	Very low	32.2	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	81%	0.806	S	S	*	*			trans	-86.8	146.6	169.6	54.8	0	0	0	0	113
78	S	35.4	Very low	31.6	Very low	125 Å²	125	141.8 Å²	141.8	87%	0.874	81%	0.809	S	S	*	*			trans	-156.8	147.6	154.2	45.9	0	0	0	0	113.2
79	K	27	Very low	31	Very low	202 Å²	202	144.6 Å²	144.6	88%	0.878	81%	0.814	S	S	*	*			trans	-92.2	175	-162.1	-73.3	173.4	169.9	175.1	0	114.8
80	S	29.1	Very low	30.7	Very low	104 Å²	104	148.5 Å²	148.5	73%	0.727	82%	0.819	S	S	*	*			trans	108.8	141.2	148.3	83	0	0	0	0	114.9
81	K	32.9	Very low	30.5	Very low	190 Å²	190	143.6 Å²	143.6	83%	0.826	81%	0.809	S	S	*	*			cis	-154	161.8	24.4	-72.7	175.9	178.1	168.8	0	111.8
82	Q	26.4	Very low	30.4	Very low	186 Å²	186	146.9 Å²	146.9	87%	0.869	81%	0.813	S	S	*	*			trans	-102.5	149.2	176.5	-164.2	172.7	15.7	0	0	109.8
83	F	29.9	Very low	29.8	Very low	202 Å²	202	146.2 Å²	146.2	89%	0.886	81%	0.808	S	S	*	*			trans	-135.1	133.3	169.8	-95.3	-80.9	0	0	0	110
84	P	29.2	Very low	29.6	Very low	121 Å²	121	153.1 Å²	153.1	79%	0.786	82%	0.817	S	S	*	*			trans	-122.2	149.4	168.4	36.4	-23.1	0	0	0	114.6
85	G	25.6	Very low	29.1	Very low	79 Å²	79	156.7 Å²	156.7	81%	0.814	83%	0.825	S	S	*	*			trans	85.5	117.1	143.8	0	0	0	0	0	120
86	H	33.6	Very low	29	Very low	174 Å²	174	156 Å²	156	81%	0.806	83%	0.832	S	S	*	*			trans	-162.8	103.5	146.6	-159	-87.8	0	0	0	113.7
87	L	33.4	Very low	28.8	Very low	143 Å²	143	154.7 Å²	154.7	75%	0.749	83%	0.829	S	S	*	*			trans	63.9	128.8	137.4	-70.6	149.4	0	0	0	124.5
88	E	21.7	Very low	29	Very low	180 Å²	180	155.4 Å²	155.4	84%	0.841	83%	0.831	S	S	*	*			trans	-66.9	157.4	169	-64.4	175.3	107.6	0	0	114.9
89	L	28.6	Very low	28.8	Very low	179 Å²	179	156 Å²	156	94%	0.937	83%	0.829	S	S	*	*			trans	-151.4	120.1	143.8	-91.4	165.4	0	0	0	110
90	K	27.3	Very low	28.8	Very low	193 Å²	193	152 Å²	152	84%	0.839	82%	0.823	S	S	*	*			trans	-111.1	162.4	157.3	-113.5	178.2	-177	175.7	0	106
91	P	30.3	Very low	28.8	Very low	111 Å²	111	156 Å²	156	72%	0.721	83%	0.828	S	S	*	*				-161.1	-171.8	59.1	35.6	-9.1	0	0	0	116.9
92	L	31.3	Very low	28.6	Very low	161 Å²	161	153.1 Å²	153.1	84%	0.843	82%	0.822	S	S	*	*			trans	131.9	85.6	146	-70.8	164.5	0	0	0	117.1
93	S	26.1	Very low	28.6	Very low	108 Å²	108	154.1 Å²	154.1	76%	0.755	82%	0.823	S	S	*	*			trans	-8.2	138.7	143.1	-23.1	0	0	0	0	120.9
94	R	30.4	Very low	28.5	Very low	256 Å²	256	153.4 Å²	153.4	97%	0.966	82%	0.823	S	S	*	*				-156.9	130.1	129.3	-114	177.4	171.5	127.9	-1.5	111.1
95	E	25.7	Very low	28.5	Very low	180 Å²	180	152.9 Å²	152.9	84%	0.841	82%	0.822	S	S	*	*			trans	-83	150.3	-173.7	-62.2	166.2	143.4	0	0	112.6
96	C	26	Very low	28.6	Very low	137 Å²	137	155.9 Å²	155.9	93%	0.926	83%	0.825	S	S	*	*			trans	-159.6	135.7	133.5	-114.6	0	0	0	0	110.2
97	S	28.2	Very low	28.4	Very low	111 Å²	111	152.6 Å²	152.6	78%	0.776	82%	0.821	S	S	*	*			trans	-89.9	170.6	-162.1	-41.6	0	0	0	0	113.4
98	P	32	Very low	28.4	Very low	122 Å²	122	152.8 Å²	152.8	79%	0.792	82%	0.822	S	S	*	*			trans	-100.5	161.4	-149.6	38.4	-34.7	0	0	0	115.6
99	V	29.6	Very low	28.8	Very low	136 Å²	136	152.3 Å²	152.3	82%	0.824	81%	0.813	S	S	*	*			trans	-113.1	128.5	165.7	-158.9	0	0	0	0	108.5
100	P	27.2	Very low	29.2	Very low	118 Å²	118	152.9 Å²	152.9	77%	0.766	80%	0.802	S	S	*	*			trans	-86.2	126.7	-179.4	32.1	-28.7	0	0	0	110.3
101	F	29.5	Very low	30.3	Very low	188 Å²	188	151.1 Å²	151.1	83%	0.825	80%	0.795	S	S	*	*			trans	-137.6	108.6	170.4	-145.1	-98.4	0	0	0	110.8
102	D	29.7	Very low	31.7	Very low	130 Å²	130	150.4 Å²	150.4	70%	0.695	78%	0.778	S	S	*	*			trans	35.9	112.1	158.7	-58.8	-23.8	0	0	0	121.3	E104	D102-E104 PolarHBondContact O-N 3.12Å; D102-E104 VanDerWaalsContact O-N 3.16Å
103	K	26.5	Very low	33.6	Very low	208 Å²	208	144.2 Å²	144.2	90%	0.904	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	90.5	166.6	-67.6	174.5	175.9	177	0	110.3
104	E	27.5	Very low	35.6	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.874	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161	-7.1	155.9	-118.2	169.8	-169.8	0	0	115.6	D102 T106	D102-E104 PolarHBondContact O-N 3.12Å; D102-E104 VanDerWaalsContact O-N 3.16Å; E104-T106 PolarHBondContact O-N 3.45Å
105	S	29.2	Very low	37.8	Very low	109 Å²	109	130.7 Å²	130.7	76%	0.762	68%	0.679	S	S	*	*			trans	-85.6	14.9	-175.4	-83.7	0	0	0	0	117	S107	S105-S107 VanDerWaalsContact C-N 3.31Å; S105-S107 PolarHBondContact O-N 3.13Å
106	T	26.9	Very low	40.5	Very low	143 Å²	143	122.2 Å²	122.2	88%	0.877	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	29.5	-171.7	-26	0	0	0	0	115.3	E104	E104-T106 PolarHBondContact O-N 3.45Å
107	S	29.6	Very low	43.3	Very low	104 Å²	104	121.7 Å²	121.7	73%	0.727	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	18	177.6	-166.3	0	0	0	0	115.2	S105 R109	S105-S107 VanDerWaalsContact C-N 3.31Å; S105-S107 PolarHBondContact O-N 3.13Å; S107-R109 VanDerWaalsContact C-N 3.28Å; S107-R109 PolarHBondContact O-N 3.38Å
108	L	34	Very low	46.1	Very low	148 Å²	148	116.7 Å²	116.7	78%	0.775	59%	0.588	S	S	*	*			trans	-93.6	56.8	167.3	-67.5	174.1	0	0	0	110.4
109	R	30	Very low	48.8	Very low	169 Å²	169	115.3 Å²	115.3	64%	0.638	57%	0.567	S	S	*	*			trans	-78.9	120.9	157.6	-169.9	-172.9	-71.8	-159.9	1.3	106.2	S107 K111 T515	S107-R109 VanDerWaalsContact C-N 3.28Å; S107-R109 PolarHBondContact O-N 3.38Å; R109-K111 PolarHBondContact O-N 2.93Å; R109-K111 VanDerWaalsContact O-N 3.08Å; R109-T515 WeakPolarHBondContact CD-O 3.43Å; R109-T515 PolarHBondContact NH1-O 2.77Å; R109-T515 VanDerWaalsContact NH1-O 3.12Å
110	W	37.1	Very low	51.6	Low	191 Å²	191	109.4 Å²	109.4	72%	0.723	53%	0.53	S	S	*	.			trans	-65.4	110.9	-155.7	-57.5	7.1	0	0	0	110.5	R112	W110-R112 PolarHBondContact O-N 2.65Å
111	K	49	Very low	54.2	Low	157 Å²	157	105.6 Å²	105.6	68%	0.683	50%	0.502	S	S	*	.			trans	-73.2	118.3	174.9	-66.5	-176.3	177.7	177	0	108	R109 F113	R109-K111 PolarHBondContact O-N 2.93Å; R109-K111 VanDerWaalsContact O-N 3.08Å; K111-F113 WeakPolarHBondContact CB-O 3.46Å; K111-F113 PolarHBondContact O-N 2.79Å
112	R	61	Low	56.7	Low	96 Å²	96	97.8 Å²	97.8	36%	0.362	47%	0.469	S	S	.	.	S	Bend	trans	-69.5	-13.6	177.1	-66.9	-172.5	179.8	-176.5	4.9	113.1	W110 P136 F380 D517	W110-R112 PolarHBondContact O-N 2.65Å; R112-P136 WeakPolarHBondContact O-CD 3.47Å; R112-F380 WeakPolarHBondContact O-CZ 3.2Å; R112-D517 IonicContact NH2-OD1 3.38Å; R112-D517 PolarHBondContact NH2-OD1 2.79Å
113	F	70	Confident	58.6	Low	31 Å²	31	98.3 Å²	98.3	14%	0.136	47%	0.468	C	S	.	.	S	Bend	trans	-146.9	159.6	175.7	62.9	-84.5	0	0	0	109.9	K111 K115 L133 V134 T135 F489	K111-F113 WeakPolarHBondContact CB-O 3.46Å; K111-F113 PolarHBondContact O-N 2.79Å; F113-K115 HydrophobicContact CE2-CB 4.44Å; F113-L133 HydrophobicContact CD2-CD2 4.31Å; F113-V134 CarbonylContact C-O 3.57Å; F113-V134 WeakPolarHBondContact CA-O 3.37Å; F113-V134 WeakPolarHBondContact CB-O 3.32Å; F113-T135 HydrophobicContact CB-CG2 4.02Å; F113-F489 HydrophobicContact CB-CE2 4.11Å; F113-F489 HydrophobicContact CD1-CD2 4.38Å; F113-F489 HydrophobicContact CD1-CE1 4.17Å; F113-F489 AromaticContact CD1-CE2 3.39Å; F113-F489 HydrophobicContact CD1-CE2 3.39Å; F113-F489 AromaticContact CD1-CZ 3.25Å; F113-F489 HydrophobicContact CD1-CZ 3.25Å; F113-F489 HydrophobicContact CD2-CD2 4.04Å; F113-F489 AromaticContact CD2-CE2 3.76Å; F113-F489 HydrophobicContact CD2-CE2 3.76Å; F113-F489 HydrophobicContact CD2-CZ 4.33Å; F113-F489 HydrophobicContact CE1-CD1 4.38Å; F113-F489 HydrophobicContact CE1-CD2 4.38Å; F113-F489 AromaticContact CE1-CE1 3.59Å; F113-F489 HydrophobicContact CE1-CE1 3.59Å; F113-F489 AromaticContact CE1-CE2 3.61Å; F113-F489 HydrophobicContact CE1-CE2 3.61Å; F113-F489 AromaticContact CE1-CZ 3.14Å; F113-F489 HydrophobicContact CE1-CZ 3.14Å; F113-F489 HydrophobicContact CE2-CD2 4.03Å; F113-F489 AromaticContact CE2-CE2 3.95Å; F113-F489 HydrophobicContact CE2-CE2 3.95Å; F113-F489 HydrophobicContact CE2-CG 4.41Å; F113-F489 HydrophobicContact CE2-CZ 4.23Å; F113-F489 HydrophobicContact CG-CD2 4.22Å; F113-F489 AromaticContact CG-CE2 3.47Å; F113-F489 HydrophobicContact CG-CE2 3.47Å; F113-F489 VanDerWaalsContact CG-CE2 3.47Å; F113-F489 AromaticContact CG-CZ 3.87Å; F113-F489 HydrophobicContact CG-CZ 3.87Å; F113-F489 HydrophobicContact CZ-CD1 4.16Å; F113-F489 HydrophobicContact CZ-CD2 4.2Å; F113-F489 AromaticContact CZ-CE1 3.81Å; F113-F489 HydrophobicContact CZ-CE1 3.81Å; F113-F489 AromaticContact CZ-CE2 3.87Å; F113-F489 HydrophobicContact CZ-CE2 3.87Å; F113-F489 HydrophobicContact CZ-CG 4.35Å; F113-F489 AromaticContact CZ-CZ 3.67Å; F113-F489 HydrophobicContact CZ-CZ 3.67Å
114	L	69.4	Low	60.6	Low	9 Å²	9	94.3 Å²	94.3	5%	0.047	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.1	173.5	-163.7	63	0	0	0	109.4	I116 L133 V134 M373 P376 F377	L114-I116 HydrophobicContact CD2-CD1 3.66Å; L114-I116 HydrophobicContact CD2-CG1 4Å; L114-I116 HydrophobicContact CG-CD1 4.04Å; L114-I116 HydrophobicContact CG-CG1 3.8Å; L114-L133 CarbonylContact O-C 3.51Å; L114-L133 WeakPolarHBondContact O-CA 3.38Å; L114-V134 HydrophobicContact CB-CB 4.08Å; L114-V134 HydrophobicContact CB-CG2 4.39Å; L114-V134 PolarHBondContact N-O 3.34Å; L114-V134 PolarHBondContact O-N 2.9Å; L114-M373 HydrophobicContact CD1-CE 3.65Å; L114-M373 HydrophobicContact CD2-CE 4.26Å; L114-M373 HydrophobicContact CG-CE 3.91Å; L114-P376 HydrophobicContact CD1-CB 4.27Å; L114-P376 HydrophobicContact CD2-CB 4.34Å; L114-F377 VanDerWaalsContact CD2-CA 3.47Å; L114-F377 HydrophobicContact CD2-CB 3.82Å; L114-F377 HydrophobicContact CD2-CD2 4.14Å; L114-F377 HydrophobicContact CD2-CG 4.5Å
115	K	76.9	Confident	62.7	Low	70 Å²	70	88.6 Å²	88.6	30%	0.304	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116	173	-170.7	174.2	-178.8	173	0	107.9	F113 V131 L133 D585	F113-K115 HydrophobicContact CE2-CB 4.44Å; K115-V131 HydrophobicContact CD-CG1 4.06Å; K115-V131 HydrophobicContact CG-CG1 3.32Å; K115-L133 HydrophobicContact CB-CD2 3.83Å; K115-L133 HydrophobicContact CD-CD2 4.22Å; K115-L133 HydrophobicContact CG-CD2 3.72Å; K115-D585 IonicContact NZ-OD2 3.21Å; K115-D585 PolarHBondContact NZ-OD2 3.03Å
116	I	82.5	Confident	65.2	Low	2 Å²	2	84.9 Å²	84.9	1%	0.01	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.1	-177	-43.8	-178.9	0	0	0	108.8	L114 V118 V131 L132 V134 M369 M373 F377	L114-I116 HydrophobicContact CD2-CD1 3.66Å; L114-I116 HydrophobicContact CD2-CG1 4Å; L114-I116 HydrophobicContact CG-CD1 4.04Å; L114-I116 HydrophobicContact CG-CG1 3.8Å; I116-V118 HydrophobicContact CB-CG1 4.04Å; I116-V118 HydrophobicContact CG2-CG1 3.61Å; I116-V118 PolarHBondContact O-N 3.33Å; I116-V131 CarbonylContact O-C 3.57Å; I116-V131 WeakPolarHBondContact O-CA 3.48Å; I116-L132 HydrophobicContact CB-CB 4.33Å; I116-L132 PolarHBondContact N-O 3.18Å; I116-L132 PolarHBondContact O-N 3.04Å; I116-V134 HydrophobicContact CD1-CG2 4.42Å; I116-M369 HydrophobicContact CD1-CE 3.6Å; I116-M369 HydrophobicContact CD1-SD 4.37Å; I116-M369 HydrophobicContact CG2-CG 4.22Å; I116-M373 HydrophobicContact CB-CE 4.39Å; I116-M373 HydrophobicContact CD1-CE 4.42Å; I116-M373 HydrophobicContact CG1-CE 3.75Å; I116-M373 HydrophobicContact CG2-CB 4.07Å; I116-M373 HydrophobicContact CG2-CE 4.38Å; I116-M373 HydrophobicContact CG2-CG 4.07Å; I116-F377 HydrophobicContact CD1-CB 4.26Å; I116-F377 HydrophobicContact CD1-CD2 3.78Å; I116-F377 HydrophobicContact CD1-CG 4.29Å
117	H	83.9	Confident	68	Low	127 Å²	127	80.6 Å²	80.6	59%	0.588	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.7	168.6	-70.4	-82	0	0	0	109.1	P370	H117-P370 WeakPolarHBondContact O-CD 3.49Å
118	V	87.7	Confident	70.7	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.03	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	163.8	-176.7	-58.7	0	0	0	0	110.4	I116 G130 L132 F141 F367 S368	I116-V118 HydrophobicContact CB-CG1 4.04Å; I116-V118 HydrophobicContact CG2-CG1 3.61Å; I116-V118 PolarHBondContact O-N 3.33Å; V118-G130 PolarHBondContact N-O 3.02Å; V118-G130 PolarHBondContact O-N 2.93Å; V118-L132 HydrophobicContact CG1-CB 3.96Å; V118-L132 HydrophobicContact CG1-CD2 4.47Å; V118-L132 HydrophobicContact CG2-CB 3.73Å; V118-F141 HydrophobicContact CG2-CD2 3.7Å; V118-F141 HydrophobicContact CG2-CE2 3.56Å; V118-F367 HydrophobicContact CB-CB 4.17Å; V118-F367 HydrophobicContact CB-CD1 4.35Å; V118-F367 HydrophobicContact CG2-CB 4.29Å; V118-F367 HydrophobicContact CG2-CD1 3.58Å; V118-F367 HydrophobicContact CG2-CE1 4.28Å; V118-F367 HydrophobicContact CG2-CG 4.22Å; V118-S368 VanDerWaalsContact CA-O 3.26Å; V118-S368 WeakPolarHBondContact CA-O 3.17Å; V118-S368 WeakPolarHBondContact CB-O 3.4Å; V118-S368 WeakPolarHBondContact CG1-O 3.4Å
119	R	87.7	Confident	73.2	Confident	93 Å²	93	69.7 Å²	69.7	35%	0.351	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.1	166.3	-48.9	172.5	171.5	173.9	-0.4	109.3	F127 V128 F367 S368	R119-F127 HydrophobicContact CB-CB 4.3Å; R119-F127 HydrophobicContact CB-CD2 3.96Å; R119-F127 HydrophobicContact CB-CG 4.4Å; R119-F127 HydrophobicContact CG-CD2 4.13Å; R119-V128 CarbonylContact C-O 3.56Å; R119-V128 WeakPolarHBondContact CA-O 3.46Å; R119-F367 CarbonylContact O-C 3.52Å; R119-F367 VanDerWaalsContact O-CA 3.27Å; R119-F367 WeakPolarHBondContact O-CA 3.2Å; R119-S368 VanDerWaalsContact CB-OG 3.22Å; R119-S368 WeakPolarHBondContact CB-OG 3.08Å; R119-S368 PolarHBondContact N-O 3.28Å; R119-S368 PolarHBondContact N-OG 2.76Å; R119-S368 PolarHBondContact O-N 2.92Å; R119-S368 PolarHBondContact O-OG 2.93Å
120	Q	87.5	Confident	75.9	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.3	174	-174	-170.1	10.4	0	0	109.8	F127 V128 F141 Y158 W366 F367	Q120-F127 CarbonylContact O-C 3.36Å; Q120-F127 WeakPolarHBondContact O-CA 3.35Å; Q120-F127 WeakPolarHBondContact O-CB 3.38Å; Q120-V128 PolarHBondContact N-O 3.44Å; Q120-V128 PolarHBondContact O-N 3.45Å; Q120-F141 HydrophobicContact CB-CD1 4.32Å; Q120-F141 HydrophobicContact CB-CE1 3.71Å; Q120-F141 HydrophobicContact CB-CE2 4.31Å; Q120-F141 HydrophobicContact CB-CZ 3.7Å; Q120-F141 HydrophobicContact CG-CE1 4.38Å; Q120-Y158 PolarHBondContact OE1-O 2.88Å; Q120-W366 CarbonylContact C-O 3.47Å; Q120-W366 WeakPolarHBondContact CA-O 3.39Å; Q120-F367 HydrophobicContact CB-CD1 3.71Å; Q120-F367 HydrophobicContact CB-CE1 3.61Å; Q120-F367 HydrophobicContact CG-CD1 4.09Å; Q120-F367 HydrophobicContact CG-CE1 3.68Å; Q120-F367 HydrophobicContact CG-CZ 4.29Å
121	F	83.8	Confident	78.2	Confident	39 Å²	39	53.3 Å²	53.3	17%	0.171	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.4	171.8	-62.1	-82	0	0	0	109.8	F127 I179 F337 W366	F121-F127 HydrophobicContact CD1-CB 4.38Å; F121-I179 HydrophobicContact CD1-CD1 4.47Å; F121-I179 HydrophobicContact CD2-CD1 4.1Å; F121-I179 HydrophobicContact CE1-CD1 4.48Å; F121-I179 HydrophobicContact CE2-CD1 4.11Å; F121-I179 HydrophobicContact CG-CD1 4.29Å; F121-I179 HydrophobicContact CZ-CD1 4.32Å; F121-F337 AromaticContact CE2-CD1 3.69Å; F121-F337 HydrophobicContact CE2-CD1 3.69Å; F121-F337 AromaticContact CE2-CE1 3.87Å; F121-F337 HydrophobicContact CE2-CE1 3.87Å; F121-F337 AromaticContact CZ-CD1 3.92Å; F121-F337 HydrophobicContact CZ-CD1 3.92Å; F121-F337 AromaticContact CZ-CE1 3.57Å; F121-F337 HydrophobicContact CZ-CE1 3.57Å; F121-W366 HydrophobicContact CB-CB 4.08Å; F121-W366 HydrophobicContact CD2-CB 4.01Å; F121-W366 HydrophobicContact CG-CB 4.5Å; F121-W366 PolarHBondContact N-O 3.18Å
122	T	80.1	Confident	80	Confident	23 Å²	23	45.8 Å²	45.8	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.7	175.8	70.1	0	0	0	0	109.4	T124 E125 G126 V128 Y158	T122-T124 PolarHBondContact O-N 2.89Å; T122-E125 WeakPolarHBondContact OG1-CA 3.46Å; T122-E125 WeakPolarHBondContact OG1-CB 3.2Å; T122-E125 PolarHBondContact OG1-N 3.45Å; T122-G126 PolarHBondContact N-O 3.47Å; T122-G126 PolarHBondContact OG1-N 2.75Å; T122-G126 PolarHBondContact OG1-O 3.25Å; T122-G126 VanDerWaalsContact OG1-O 3.12Å; T122-V128 HydrophobicContact CG2-CG2 3.96Å; T122-Y158 HydrophobicContact CG2-CD1 3.89Å; T122-Y158 HydrophobicContact CG2-CE1 3.91Å
123	E	70.4	Confident	81	Confident	141 Å²	141	41.6 Å²	41.6	66%	0.659	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.9	-175.2	-74.5	162.4	-139.6	0	0	113.8	K362	E123-K362 WeakPolarHBondContact OE1-CE 3.39Å; E123-K362 IonicContact OE1-NZ 3.77Å; E123-K362 PolarHBondContact OE1-NZ 2.84Å; E123-K362 IonicContact OE2-NZ 2.76Å
124	T	69.1	Low	81.5	Confident	124 Å²	124	40.1 Å²	40.1	76%	0.761	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-14.6	-168.6	55.1	0	0	0	0	114.7	T122	T122-T124 PolarHBondContact O-N 2.89Å
125	E	71.9	Confident	81.7	Confident	67 Å²	67	39.8 Å²	39.8	31%	0.313	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-5.1	-166.1	-65.7	172.5	166.4	0	0	113.5	T122 L149 N153 K157 Y158	T122-E125 WeakPolarHBondContact OG1-CA 3.46Å; T122-E125 WeakPolarHBondContact OG1-CB 3.2Å; T122-E125 PolarHBondContact OG1-N 3.45Å; E125-L149 HydrophobicContact CB-CD1 4.07Å; E125-L149 HydrophobicContact CB-CD2 4.08Å; E125-L149 VanDerWaalsContact O-CD1 3.3Å; E125-L149 WeakPolarHBondContact O-CD1 3.15Å; E125-N153 PolarHBondContact OE1-ND2 2.89Å; E125-N153 PolarHBondContact OE2-ND2 2.72Å; E125-K157 IonicContact OE1-NZ 3.58Å; E125-K157 PolarHBondContact OE1-NZ 2.96Å; E125-K157 IonicContact OE2-NZ 2.73Å; E125-K157 PolarHBondContact OE2-NZ 2.94Å; E125-Y158 PolarHBondContact OE2-OH 2.95Å
126	G	80.5	Confident	81.4	Confident	32 Å²	32	38.3 Å²	38.3	33%	0.33	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.3	-122.5	-179.9	0	0	0	0	0	111.9	T122	T122-G126 PolarHBondContact N-O 3.47Å; T122-G126 PolarHBondContact OG1-N 2.75Å; T122-G126 PolarHBondContact OG1-O 3.25Å; T122-G126 VanDerWaalsContact OG1-O 3.12Å
127	F	86.3	Confident	80.9	Confident	52 Å²	52	41.7 Å²	41.7	23%	0.228	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.2	177.6	67	-95.9	0	0	0	111.6	R119 Q120 F121 H147 L149 M321	R119-F127 HydrophobicContact CB-CB 4.3Å; R119-F127 HydrophobicContact CB-CD2 3.96Å; R119-F127 HydrophobicContact CB-CG 4.4Å; R119-F127 HydrophobicContact CG-CD2 4.13Å; Q120-F127 CarbonylContact O-C 3.36Å; Q120-F127 WeakPolarHBondContact O-CA 3.35Å; Q120-F127 WeakPolarHBondContact O-CB 3.38Å; F121-F127 HydrophobicContact CD1-CB 4.38Å; F127-H147 AromaticContact CE2-NE2 3.8Å; F127-H147 PolarHBondContact O-CE1 3.22Å; F127-L149 WeakPolarHBondContact O-CD1 3.32Å; F127-M321 WeakPolarHBondContact CE1-O 3.34Å
128	V	86	Confident	80.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.9	174.2	175.2	0	0	0	0	108.6	R119 Q120 T122 F141 P143 L149 V150 Y158	R119-V128 CarbonylContact C-O 3.56Å; R119-V128 WeakPolarHBondContact CA-O 3.46Å; Q120-V128 PolarHBondContact N-O 3.44Å; Q120-V128 PolarHBondContact O-N 3.45Å; T122-V128 HydrophobicContact CG2-CG2 3.96Å; V128-F141 HydrophobicContact CG1-CE1 4.4Å; V128-F141 HydrophobicContact CG1-CZ 4.4Å; V128-P143 HydrophobicContact CG1-CB 3.73Å; V128-L149 HydrophobicContact CG2-CB 4.03Å; V128-L149 HydrophobicContact CG2-CD1 3.85Å; V128-V150 HydrophobicContact CG1-CG2 3.49Å; V128-V150 VanDerWaalsContact CG1-CG2 3.49Å; V128-Y158 HydrophobicContact CB-CD1 4.47Å; V128-Y158 HydrophobicContact CB-CG 4.45Å; V128-Y158 HydrophobicContact CG1-CG 4.27Å; V128-Y158 HydrophobicContact CG2-CD1 3.63Å; V128-Y158 HydrophobicContact CG2-CD2 4.28Å; V128-Y158 HydrophobicContact CG2-CE1 3.72Å; V128-Y158 HydrophobicContact CG2-CE2 4.35Å; V128-Y158 HydrophobicContact CG2-CG 3.89Å
129	S	87	Confident	80.4	Confident	23 Å²	23	35.6 Å²	35.6	16%	0.161	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.8	173.6	-54.9	0	0	0	0	110.2	D144 H147	S129-D144 VanDerWaalsContact CB-OD2 3.3Å; S129-D144 WeakPolarHBondContact CB-OD2 3.45Å; S129-D144 WeakPolarHBondContact O-CB 3.26Å; S129-D144 PolarHBondContact O-N 3.44Å; S129-H147 PolarHBondContact N-CD2 3.42Å; S129-H147 PolarHBondContact OG-CD2 2.97Å
130	G	86.8	Confident	80.3	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-166.8	178.6	0	0	0	0	0	112.2	V118 D142 D144	V118-G130 PolarHBondContact N-O 3.02Å; V118-G130 PolarHBondContact O-N 2.93Å; G130-D142 CarbonylContact C-O 3.49Å; G130-D142 WeakPolarHBondContact CA-O 3.31Å; G130-D144 PolarHBondContact N-OD2 2.62Å
131	V	85.6	Confident	80.3	Confident	15 Å²	15	31.5 Å²	31.5	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.5	-178	179.3	0	0	0	0	109.8	K115 I116 L133 F141 D142	K115-V131 HydrophobicContact CD-CG1 4.06Å; K115-V131 HydrophobicContact CG-CG1 3.32Å; I116-V131 CarbonylContact O-C 3.57Å; I116-V131 WeakPolarHBondContact O-CA 3.48Å; V131-L133 HydrophobicContact CG1-CD2 4.2Å; V131-L133 HydrophobicContact CG1-CG 4.05Å; V131-F141 WeakPolarHBondContact O-CA 3.3Å; V131-D142 PolarHBondContact N-O 3.25Å; V131-D142 PolarHBondContact O-N 2.83Å
132	L	86.9	Confident	80.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.3	166.6	-166	73.6	0	0	0	109.2	I116 V118 V134 I139 M140 F141 M160 L338 F367	I116-L132 HydrophobicContact CB-CB 4.33Å; I116-L132 PolarHBondContact N-O 3.18Å; I116-L132 PolarHBondContact O-N 3.04Å; V118-L132 HydrophobicContact CG1-CB 3.96Å; V118-L132 HydrophobicContact CG1-CD2 4.47Å; V118-L132 HydrophobicContact CG2-CB 3.73Å; L132-V134 HydrophobicContact CD2-CG2 4.41Å; L132-V134 HydrophobicContact CG-CG2 4.33Å; L132-I139 HydrophobicContact CD1-CG2 3.64Å; L132-I139 HydrophobicContact CG-CG2 4.08Å; L132-M140 CarbonylContact C-O 3.5Å; L132-M140 VanDerWaalsContact CA-O 3.27Å; L132-M140 WeakPolarHBondContact CA-O 3.22Å; L132-F141 HydrophobicContact CD1-CB 4.13Å; L132-M160 HydrophobicContact CD1-CE 4.01Å; L132-L338 HydrophobicContact CD2-CD2 3.6Å; L132-F367 HydrophobicContact CD1-CE1 4.38Å; L132-F367 HydrophobicContact CD1-CE2 4.26Å; L132-F367 HydrophobicContact CD1-CZ 4.1Å
133	L	81.6	Confident	80.8	Confident	8 Å²	8	32.2 Å²	32.2	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.4	172.3	-69.3	167.9	0	0	0	109.3	F113 L114 K115 V131 I139 M140 F489	F113-L133 HydrophobicContact CD2-CD2 4.31Å; L114-L133 CarbonylContact O-C 3.51Å; L114-L133 WeakPolarHBondContact O-CA 3.38Å; K115-L133 HydrophobicContact CB-CD2 3.83Å; K115-L133 HydrophobicContact CD-CD2 4.22Å; K115-L133 HydrophobicContact CG-CD2 3.72Å; V131-L133 HydrophobicContact CG1-CD2 4.2Å; V131-L133 HydrophobicContact CG1-CG 4.05Å; L133-I139 CarbonylContact O-C 3.52Å; L133-I139 WeakPolarHBondContact O-CA 3.45Å; L133-M140 HydrophobicContact CB-CB 4.28Å; L133-M140 PolarHBondContact N-O 3.22Å; L133-M140 PolarHBondContact O-N 3.3Å; L133-F489 HydrophobicContact CD2-CD2 4.4Å
134	V	79.6	Confident	81.5	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.7	-179.7	-168.4	0	0	0	0	107.4	F113 L114 I116 L132 I139 F377 F380 L381	F113-V134 CarbonylContact C-O 3.57Å; F113-V134 WeakPolarHBondContact CA-O 3.37Å; F113-V134 WeakPolarHBondContact CB-O 3.32Å; L114-V134 HydrophobicContact CB-CB 4.08Å; L114-V134 HydrophobicContact CB-CG2 4.39Å; L114-V134 PolarHBondContact N-O 3.34Å; L114-V134 PolarHBondContact O-N 2.9Å; I116-V134 HydrophobicContact CD1-CG2 4.42Å; L132-V134 HydrophobicContact CD2-CG2 4.41Å; L132-V134 HydrophobicContact CG-CG2 4.33Å; V134-I139 HydrophobicContact CG1-CD1 4.25Å; V134-I139 HydrophobicContact CG1-CG1 4.07Å; V134-F377 HydrophobicContact CG1-CE2 4.15Å; V134-F377 HydrophobicContact CG2-CD2 3.93Å; V134-F377 HydrophobicContact CG2-CE2 3.67Å; V134-F380 HydrophobicContact CB-CD1 4.27Å; V134-F380 HydrophobicContact CB-CE1 4.18Å; V134-F380 HydrophobicContact CG1-CD1 3.59Å; V134-F380 HydrophobicContact CG1-CE1 3.65Å; V134-F380 WeakPolarHBondContact O-CE1 3.32Å; V134-F380 WeakPolarHBondContact O-CZ 3.4Å; V134-L381 HydrophobicContact CG1-CD2 4.47Å
135	T	74.4	Confident	82.3	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	16%	0.159	C	C	.	.			trans	-114.8	169.4	175.7	77.8	0	0	0	0	109.3	F113 N137 C138 E485	F113-T135 HydrophobicContact CB-CG2 4.02Å; T135-N137 PolarHBondContact O-N 3.15Å; T135-N137 PolarHBondContact OG1-N 2.83Å; T135-C138 PolarHBondContact N-O 3.22Å; T135-C138 PolarHBondContact OG1-N 2.84Å; T135-C138 PolarHBondContact OG1-O 2.64Å; T135-C138 VanDerWaalsContact OG1-O 3.13Å; T135-C138 PolarHBondContact OG1-SG 2.71Å; T135-C138 VanDerWaalsContact OG1-SG 3.33Å; T135-E485 WeakPolarHBondContact CB-O 3.32Å; T135-E485 WeakPolarHBondContact CG2-O 3.36Å; T135-E485 PolarHBondContact OG1-O 3.27Å
136	P	71	Confident	82.8	Confident	39 Å²	39	28.9 Å²	28.9	25%	0.253	18%	0.176	S	C	.	.	S	Bend	trans	-62.4	-21.6	177.3	-22.5	35.5	0	0	0	113.7	R112 M164 F380 C384	R112-P136 WeakPolarHBondContact O-CD 3.47Å; P136-M164 WeakPolarHBondContact O-CG 3.4Å; P136-F380 HydrophobicContact CG-CZ 4.35Å; P136-C384 VanDerWaalsContact CA-SG 3.58Å; P136-C384 HydrophobicContact CB-CB 4.34Å
137	N	71.1	Confident	83	Confident	72 Å²	72	28.8 Å²	28.8	39%	0.385	17%	0.166	S	C	.	.	S	Bend	trans	-109.1	-26.1	-174.1	-60.8	-33.7	0	0	0	113.2	T135 P163 M164 E485 L486	T135-N137 PolarHBondContact O-N 3.15Å; T135-N137 PolarHBondContact OG1-N 2.83Å; N137-P163 CarbonylContact O-C 3.55Å; N137-P163 WeakPolarHBondContact O-CA 3.38Å; N137-M164 PolarHBondContact O-N 2.91Å; N137-E485 PolarHBondContact ND2-OE1 3.37Å; N137-L486 HydrophobicContact CB-CD2 3.98Å
138	C	80	Confident	82.9	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.2	-179.4	68.4	0	0	0	0	114.3	T135 A162 E485 L486	T135-C138 PolarHBondContact N-O 3.22Å; T135-C138 PolarHBondContact OG1-N 2.84Å; T135-C138 PolarHBondContact OG1-O 2.64Å; T135-C138 VanDerWaalsContact OG1-O 3.13Å; T135-C138 PolarHBondContact OG1-SG 2.71Å; T135-C138 VanDerWaalsContact OG1-SG 3.33Å; C138-A162 CarbonylContact C-O 3.52Å; C138-A162 VanDerWaalsContact CA-O 3.29Å; C138-A162 WeakPolarHBondContact CA-O 3.49Å; C138-E485 PolarHBondContact SG-O 3.33Å; C138-L486 PolarHBondContact SG-O 3.38Å; C138-L486 VanDerWaalsContact SG-O 3.38Å
139	I	81.4	Confident	82.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.9	166.4	-57.6	-169.6	0	0	0	108	L132 L133 V134 M160 A162 M164 I167 I170 I340	L132-I139 HydrophobicContact CD1-CG2 3.64Å; L132-I139 HydrophobicContact CG-CG2 4.08Å; L133-I139 CarbonylContact O-C 3.52Å; L133-I139 WeakPolarHBondContact O-CA 3.45Å; V134-I139 HydrophobicContact CG1-CD1 4.25Å; V134-I139 HydrophobicContact CG1-CG1 4.07Å; I139-M160 HydrophobicContact CG2-CE 3.93Å; I139-A162 PolarHBondContact N-O 2.89Å; I139-A162 PolarHBondContact O-N 2.69Å; I139-M164 HydrophobicContact CD1-SD 4.07Å; I139-M164 HydrophobicContact CG1-SD 3.81Å; I139-I167 HydrophobicContact CD1-CD1 3.39Å; I139-I167 HydrophobicContact CG1-CD1 3.78Å; I139-I170 HydrophobicContact CD1-CD1 3.97Å; I139-I340 HydrophobicContact CD1-CD1 4.39Å; I139-I340 HydrophobicContact CG2-CD1 4.09Å
140	M	85.2	Confident	82.7	Confident	15 Å²	15	31.3 Å²	31.3	7%	0.074	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.5	-177.5	-50.1	-177.8	68.3	0	0	110.5	L132 L133 M160 V161 H487 G488	L132-M140 CarbonylContact C-O 3.5Å; L132-M140 VanDerWaalsContact CA-O 3.27Å; L132-M140 WeakPolarHBondContact CA-O 3.22Å; L133-M140 HydrophobicContact CB-CB 4.28Å; L133-M140 PolarHBondContact N-O 3.22Å; L133-M140 PolarHBondContact O-N 3.3Å; M140-M160 CarbonylContact C-O 3.54Å; M140-M160 WeakPolarHBondContact CA-O 3.46Å; M140-V161 HydrophobicContact CE-CB 4.34Å; M140-V161 HydrophobicContact CE-CG1 3.98Å; M140-V161 HydrophobicContact CE-CG2 3.43Å; M140-V161 VanDerWaalsContact CE-CG2 3.43Å; M140-V161 HydrophobicContact CG-CB 4.48Å; M140-V161 HydrophobicContact CG-CG1 3.98Å; M140-V161 HydrophobicContact CG-CG2 4.3Å; M140-V161 HydrophobicContact SD-CG1 4.4Å; M140-H487 WeakPolarHBondContact CE-O 3.19Å; M140-G488 WeakPolarHBondContact SD-CA 3.38Å; M140-G488 PolarHBondContact SD-N 2.9Å
141	F	88.3	Confident	82.5	Confident	4 Å²	4	37 Å²	37	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.4	166.1	177.5	-109.1	0	0	0	109.1	V118 Q120 V128 V131 L132 P143 Y158 G159 M160 F367	V118-F141 HydrophobicContact CG2-CD2 3.7Å; V118-F141 HydrophobicContact CG2-CE2 3.56Å; Q120-F141 HydrophobicContact CB-CD1 4.32Å; Q120-F141 HydrophobicContact CB-CE1 3.71Å; Q120-F141 HydrophobicContact CB-CE2 4.31Å; Q120-F141 HydrophobicContact CB-CZ 3.7Å; Q120-F141 HydrophobicContact CG-CE1 4.38Å; V128-F141 HydrophobicContact CG1-CE1 4.4Å; V128-F141 HydrophobicContact CG1-CZ 4.4Å; V131-F141 WeakPolarHBondContact O-CA 3.3Å; L132-F141 HydrophobicContact CD1-CB 4.13Å; F141-P143 HydrophobicContact CE1-CB 3.96Å; F141-P143 HydrophobicContact CZ-CB 4.44Å; F141-Y158 WeakPolarHBondContact CD1-O 3.29Å; F141-G159 WeakPolarHBondContact O-CA 3.31Å; F141-M160 HydrophobicContact CB-CB 3.99Å; F141-M160 HydrophobicContact CB-CE 4.17Å; F141-M160 PolarHBondContact N-O 3.34Å; F141-M160 PolarHBondContact O-N 3.16Å; F141-M160 VanDerWaalsContact O-N 3.07Å; F141-F367 HydrophobicContact CB-CE1 3.88Å; F141-F367 HydrophobicContact CB-CZ 4Å; F141-F367 HydrophobicContact CD1-CE1 4.06Å; F141-F367 HydrophobicContact CD2-CD1 4.11Å; F141-F367 AromaticContact CD2-CE1 3.53Å; F141-F367 HydrophobicContact CD2-CE1 3.53Å; F141-F367 HydrophobicContact CD2-CZ 4.44Å; F141-F367 HydrophobicContact CE2-CD1 4.31Å; F141-F367 HydrophobicContact CE2-CE1 4.03Å; F141-F367 AromaticContact CG-CE1 3.54Å; F141-F367 HydrophobicContact CG-CE1 3.54Å; F141-F367 HydrophobicContact CG-CZ 4.16Å; F141-F367 HydrophobicContact CZ-CE1 4.49Å
142	D	85.7	Confident	82.5	Confident	72 Å²	72	43.5 Å²	43.5	39%	0.385	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	109	175.1	-166.7	10.3	0	0	0	109.1	G130 V131	G130-D142 CarbonylContact C-O 3.49Å; G130-D142 WeakPolarHBondContact CA-O 3.31Å; V131-D142 PolarHBondContact N-O 3.25Å; V131-D142 PolarHBondContact O-N 2.83Å
143	P	87.7	Confident	82.3	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.9	-177.7	29.4	-34.5	0	0	0	111.5	V128 F141 V145 V150 S155	V128-P143 HydrophobicContact CG1-CB 3.73Å; F141-P143 HydrophobicContact CE1-CB 3.96Å; F141-P143 HydrophobicContact CZ-CB 4.44Å; P143-V145 PolarHBondContact O-N 2.89Å; P143-V145 VanDerWaalsContact O-N 3.15Å; P143-V150 HydrophobicContact CB-CG2 3.82Å; P143-S155 WeakPolarHBondContact CG-O 3.32Å
144	D	85	Confident	82.2	Confident	56 Å²	56	46.3 Å²	46.3	30%	0.299	26%	0.263	S	S	.	.			trans	-64.1	117.8	178.1	-67.9	-29.5	0	0	0	110	S129 G130 S146 H147	S129-D144 VanDerWaalsContact CB-OD2 3.3Å; S129-D144 WeakPolarHBondContact CB-OD2 3.45Å; S129-D144 WeakPolarHBondContact O-CB 3.26Å; S129-D144 PolarHBondContact O-N 3.44Å; G130-D144 PolarHBondContact N-OD2 2.62Å; D144-S146 PolarHBondContact O-N 3.4Å; D144-H147 HydrophobicContact CB-CB 4.37Å; D144-H147 VanDerWaalsContact O-CB 3.26Å; D144-H147 WeakPolarHBondContact O-CB 3.47Å; D144-H147 PolarHBondContact O-N 3.1Å
145	V	85.6	Confident	82.2	Confident	112 Å²	112	48.8 Å²	48.8	68%	0.679	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.1	-179.9	-66.4	0	0	0	0	113.8	P143 I151	P143-V145 PolarHBondContact O-N 2.89Å; P143-V145 VanDerWaalsContact O-N 3.15Å; V145-I151 VanDerWaalsContact O-CG1 3.28Å; V145-I151 WeakPolarHBondContact O-CG1 3.37Å
146	S	83.8	Confident	82.2	Confident	95 Å²	95	54.6 Å²	54.6	66%	0.664	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.6	176.4	58.9	0	0	0	0	113.9	D144	D144-S146 PolarHBondContact O-N 3.4Å
147	H	83.6	Confident	82.6	Confident	29 Å²	29	57 Å²	57	13%	0.134	31%	0.314	C	S	.	.	S	Bend	trans	-72.9	134	-178.7	-162.1	-85.1	0	0	0	110.5	F127 S129 D144 L149 V150 I151	F127-H147 AromaticContact CE2-NE2 3.8Å; F127-H147 PolarHBondContact O-CE1 3.22Å; S129-H147 PolarHBondContact N-CD2 3.42Å; S129-H147 PolarHBondContact OG-CD2 2.97Å; D144-H147 HydrophobicContact CB-CB 4.37Å; D144-H147 VanDerWaalsContact O-CB 3.26Å; D144-H147 WeakPolarHBondContact O-CB 3.47Å; D144-H147 PolarHBondContact O-N 3.1Å; H147-L149 VanDerWaalsContact C-N 3.31Å; H147-L149 PolarHBondContact O-N 3.23Å; H147-V150 HydrophobicContact CB-CB 4.16Å; H147-V150 HydrophobicContact CB-CG2 3.87Å; H147-V150 WeakPolarHBondContact O-CA 3.11Å; H147-V150 WeakPolarHBondContact O-CB 3.24Å; H147-V150 PolarHBondContact O-N 3.12Å; H147-I151 WeakPolarHBondContact O-CG1 3.39Å; H147-I151 PolarHBondContact O-N 3.24Å
148	P	84.1	Confident	83.2	Confident	94 Å²	94	54 Å²	54	61%	0.61	30%	0.297	S	S	*	.	H	α-helix	trans	-53.2	-43.9	-174.1	-29.2	34.9	0	0	0	114.4	V150 I151 E152	P148-V150 VanDerWaalsContact C-N 3.27Å; P148-V150 PolarHBondContact O-N 3.38Å; P148-I151 PolarHBondContact O-N 2.86Å; P148-E152 PolarHBondContact O-N 2.97Å
149	L	84	Confident	83.3	Confident	29 Å²	29	54.1 Å²	54.1	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-29.3	177.1	-69.5	179.7	0	0	0	113.8	E125 F127 V128 H147 N153 Y158	E125-L149 HydrophobicContact CB-CD1 4.07Å; E125-L149 HydrophobicContact CB-CD2 4.08Å; E125-L149 VanDerWaalsContact O-CD1 3.3Å; E125-L149 WeakPolarHBondContact O-CD1 3.15Å; F127-L149 WeakPolarHBondContact O-CD1 3.32Å; V128-L149 HydrophobicContact CG2-CB 4.03Å; V128-L149 HydrophobicContact CG2-CD1 3.85Å; H147-L149 VanDerWaalsContact C-N 3.31Å; H147-L149 PolarHBondContact O-N 3.23Å; L149-N153 WeakPolarHBondContact O-CB 3.34Å; L149-N153 PolarHBondContact O-N 2.7Å; L149-N153 VanDerWaalsContact O-N 3.13Å; L149-Y158 HydrophobicContact CB-CE2 4.48Å; L149-Y158 VanDerWaalsContact O-CE2 3.24Å; L149-Y158 WeakPolarHBondContact O-CE2 3.29Å; L149-Y158 PolarHBondContact O-OH 2.78Å
150	V	85.5	Confident	83.3	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-78.9	-38.9	178.4	174.9	0	0	0	0	110.1	V128 P143 H147 P148 E152 G154 Y158	V128-V150 HydrophobicContact CG1-CG2 3.49Å; V128-V150 VanDerWaalsContact CG1-CG2 3.49Å; P143-V150 HydrophobicContact CB-CG2 3.82Å; H147-V150 HydrophobicContact CB-CB 4.16Å; H147-V150 HydrophobicContact CB-CG2 3.87Å; H147-V150 WeakPolarHBondContact O-CA 3.11Å; H147-V150 WeakPolarHBondContact O-CB 3.24Å; H147-V150 PolarHBondContact O-N 3.12Å; P148-V150 VanDerWaalsContact C-N 3.27Å; P148-V150 PolarHBondContact O-N 3.38Å; V150-E152 VanDerWaalsContact C-N 3.32Å; V150-E152 PolarHBondContact O-N 2.9Å; V150-G154 CarbonylContact O-C 3.45Å; V150-G154 WeakPolarHBondContact O-CA 3.3Å; V150-G154 PolarHBondContact O-N 2.84Å; V150-Y158 HydrophobicContact CG2-CD2 3.82Å; V150-Y158 HydrophobicContact CG2-CE2 4.1Å
151	I	83.1	Confident	83.1	Confident	121 Å²	121	54.1 Å²	54.1	62%	0.621	30%	0.3	S	S	*	.	H	α-helix	trans	-62.7	-41.2	173.5	-63.1	169.3	0	0	0	110.6	V145 H147 P148	V145-I151 VanDerWaalsContact O-CG1 3.28Å; V145-I151 WeakPolarHBondContact O-CG1 3.37Å; H147-I151 WeakPolarHBondContact O-CG1 3.39Å; H147-I151 PolarHBondContact O-N 3.24Å; P148-I151 PolarHBondContact O-N 2.86Å
152	E	84.4	Confident	82.8	Confident	150 Å²	150	53.9 Å²	53.9	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-73.4	-43.1	-178	-173.2	176.7	-178.5	0	0	113.1	P148 V150	P148-E152 PolarHBondContact O-N 2.97Å; V150-E152 VanDerWaalsContact C-N 3.32Å; V150-E152 PolarHBondContact O-N 2.9Å
153	N	83.7	Confident	82.4	Confident	50 Å²	50	51 Å²	51	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-110.9	-2.2	-169.2	-67.9	-37.9	0	0	0	114.9	E125 L149 K157 Y158	E125-N153 PolarHBondContact OE1-ND2 2.89Å; E125-N153 PolarHBondContact OE2-ND2 2.72Å; L149-N153 WeakPolarHBondContact O-CB 3.34Å; L149-N153 PolarHBondContact O-N 2.7Å; L149-N153 VanDerWaalsContact O-N 3.13Å; N153-K157 HydrophobicContact CB-CD 3.64Å; N153-K157 PolarHBondContact ND2-NZ 2.94Å; N153-Y158 HydrophobicContact CB-CE2 4.03Å; N153-Y158 WeakPolarHBondContact CB-OH 3.44Å; N153-Y158 PolarHBondContact ND2-OH 2.93Å
154	G	79.1	Confident	81.8	Confident	17 Å²	17	51.1 Å²	51.1	18%	0.175	29%	0.285	C	S	.	.			trans	84.6	151.4	-173.4	0	0	0	0	0	113.5	V150 E156 Y158	V150-G154 CarbonylContact O-C 3.45Å; V150-G154 WeakPolarHBondContact O-CA 3.3Å; V150-G154 PolarHBondContact O-N 2.84Å; G154-E156 VanDerWaalsContact C-N 3.32Å; G154-E156 VanDerWaalsContact C-OE2 3.32Å; G154-E156 VanDerWaalsContact CA-OE2 3.32Å; G154-E156 WeakPolarHBondContact CA-OE2 2.72Å; G154-Y158 WeakPolarHBondContact O-CD2 3.04Å; G154-Y158 WeakPolarHBondContact O-CE2 3.38Å
155	S	80.6	Confident	81.4	Confident	52 Å²	52	53.4 Å²	53.4	36%	0.364	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-69.8	-29.7	176.7	49.6	0	0	0	0	112.8	P143 K157 Y158 G159	P143-S155 WeakPolarHBondContact CG-O 3.32Å; S155-K157 PolarHBondContact O-N 3.09Å; S155-Y158 PolarHBondContact O-N 3.04Å; S155-G159 PolarHBondContact O-N 2.99Å; S155-G159 VanDerWaalsContact O-N 3.09Å
156	E	72.9	Confident	81.1	Confident	125 Å²	125	48 Å²	48	58%	0.584	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-62.7	-22.7	-179.3	68.5	-77.3	-178	0	0	113.4	G154	G154-E156 VanDerWaalsContact C-N 3.32Å; G154-E156 VanDerWaalsContact C-OE2 3.32Å; G154-E156 VanDerWaalsContact CA-OE2 3.32Å; G154-E156 WeakPolarHBondContact CA-OE2 2.72Å
157	K	79.7	Confident	80.5	Confident	89 Å²	89	43.7 Å²	43.7	39%	0.387	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-73.6	-31.4	178.8	-172.8	-179	178.7	-164.9	0	112.8	E125 N153 S155	E125-K157 IonicContact OE1-NZ 3.58Å; E125-K157 PolarHBondContact OE1-NZ 2.96Å; E125-K157 IonicContact OE2-NZ 2.73Å; E125-K157 PolarHBondContact OE2-NZ 2.94Å; N153-K157 HydrophobicContact CB-CD 3.64Å; N153-K157 PolarHBondContact ND2-NZ 2.94Å; S155-K157 PolarHBondContact O-N 3.09Å
158	Y	83.3	Confident	79.9	Confident	9 Å²	9	46 Å²	46	4%	0.035	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-18.5	-172.5	-49.4	-76.9	0	0	0	113.2	Q120 T122 E125 V128 F141 L149 V150 N153 G154 S155	Q120-Y158 PolarHBondContact OE1-O 2.88Å; T122-Y158 HydrophobicContact CG2-CD1 3.89Å; T122-Y158 HydrophobicContact CG2-CE1 3.91Å; E125-Y158 PolarHBondContact OE2-OH 2.95Å; V128-Y158 HydrophobicContact CB-CD1 4.47Å; V128-Y158 HydrophobicContact CB-CG 4.45Å; V128-Y158 HydrophobicContact CG1-CG 4.27Å; V128-Y158 HydrophobicContact CG2-CD1 3.63Å; V128-Y158 HydrophobicContact CG2-CD2 4.28Å; V128-Y158 HydrophobicContact CG2-CE1 3.72Å; V128-Y158 HydrophobicContact CG2-CE2 4.35Å; V128-Y158 HydrophobicContact CG2-CG 3.89Å; F141-Y158 WeakPolarHBondContact CD1-O 3.29Å; L149-Y158 HydrophobicContact CB-CE2 4.48Å; L149-Y158 VanDerWaalsContact O-CE2 3.24Å; L149-Y158 WeakPolarHBondContact O-CE2 3.29Å; L149-Y158 PolarHBondContact O-OH 2.78Å; V150-Y158 HydrophobicContact CG2-CD2 3.82Å; V150-Y158 HydrophobicContact CG2-CE2 4.1Å; N153-Y158 HydrophobicContact CB-CE2 4.03Å; N153-Y158 WeakPolarHBondContact CB-OH 3.44Å; N153-Y158 PolarHBondContact ND2-OH 2.93Å; G154-Y158 WeakPolarHBondContact O-CD2 3.04Å; G154-Y158 WeakPolarHBondContact O-CE2 3.38Å; S155-Y158 PolarHBondContact O-N 3.04Å
159	G	81.8	Confident	79.2	Confident	7 Å²	7	43 Å²	43	7%	0.072	23%	0.231	C	C	.	.			trans	-54.7	140.2	174.9	0	0	0	0	0	112.8	F141 S155	F141-G159 WeakPolarHBondContact O-CA 3.31Å; S155-G159 PolarHBondContact O-N 2.99Å; S155-G159 VanDerWaalsContact O-N 3.09Å
160	M	82.8	Confident	78.7	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.2	174.8	180	-165.8	71.9	0	0	108.8	L132 I139 M140 F141 I340 F365 F367	L132-M160 HydrophobicContact CD1-CE 4.01Å; I139-M160 HydrophobicContact CG2-CE 3.93Å; M140-M160 CarbonylContact C-O 3.54Å; M140-M160 WeakPolarHBondContact CA-O 3.46Å; F141-M160 HydrophobicContact CB-CB 3.99Å; F141-M160 HydrophobicContact CB-CE 4.17Å; F141-M160 PolarHBondContact N-O 3.34Å; F141-M160 PolarHBondContact O-N 3.16Å; F141-M160 VanDerWaalsContact O-N 3.07Å; M160-I340 HydrophobicContact CE-CD1 4.41Å; M160-F365 HydrophobicContact CB-CD1 4.36Å; M160-F365 HydrophobicContact CB-CE1 3.91Å; M160-F365 HydrophobicContact CB-CZ 4.21Å; M160-F365 HydrophobicContact CG-CD1 4.17Å; M160-F365 HydrophobicContact CG-CD2 4.3Å; M160-F365 HydrophobicContact CG-CE1 3.78Å; M160-F365 HydrophobicContact CG-CE2 3.92Å; M160-F365 HydrophobicContact CG-CG 4.43Å; M160-F365 HydrophobicContact CG-CZ 3.65Å; M160-F365 HydrophobicContact SD-CB 4.02Å; M160-F365 HydrophobicContact SD-CD1 3.57Å; M160-F365 VanDerWaalsContact SD-CD1 3.57Å; M160-F365 HydrophobicContact SD-CD2 3.42Å; M160-F365 WeakPolarHBondContact SD-CD2 3.35Å; M160-F365 HydrophobicContact SD-CE1 3.81Å; M160-F365 HydrophobicContact SD-CE2 3.66Å; M160-F365 HydrophobicContact SD-CG 3.38Å; M160-F365 WeakPolarHBondContact SD-CG 3.41Å; M160-F365 HydrophobicContact SD-CZ 3.86Å; M160-F367 HydrophobicContact CE-CE2 4.19Å; M160-F367 HydrophobicContact CE-CZ 3.91Å; M160-F367 HydrophobicContact SD-CE2 4.42Å; M160-F367 HydrophobicContact SD-CZ 4.14Å
161	V	81.1	Confident	77.9	Confident	11 Å²	11	43 Å²	43	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	116.5	167.7	-175.6	0	0	0	0	106.9	M140 L354 L357	M140-V161 HydrophobicContact CE-CB 4.34Å; M140-V161 HydrophobicContact CE-CG1 3.98Å; M140-V161 HydrophobicContact CE-CG2 3.43Å; M140-V161 VanDerWaalsContact CE-CG2 3.43Å; M140-V161 HydrophobicContact CG-CB 4.48Å; M140-V161 HydrophobicContact CG-CG1 3.98Å; M140-V161 HydrophobicContact CG-CG2 4.3Å; M140-V161 HydrophobicContact SD-CG1 4.4Å; V161-L354 HydrophobicContact CB-CD2 3.6Å; V161-L354 HydrophobicContact CG1-CD2 3.27Å; V161-L354 HydrophobicContact CG1-CG 4.48Å; V161-L354 WeakPolarHBondContact O-CD2 3.47Å; V161-L357 HydrophobicContact CG2-CB 4Å
162	A	81	Confident	77.4	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.6	-176.4	0	0	0	0	0	109.4	C138 I139 L342 M347	C138-A162 CarbonylContact C-O 3.52Å; C138-A162 VanDerWaalsContact CA-O 3.29Å; C138-A162 WeakPolarHBondContact CA-O 3.49Å; I139-A162 PolarHBondContact N-O 2.89Å; I139-A162 PolarHBondContact O-N 2.69Å; A162-L342 HydrophobicContact CB-CD1 3.66Å; A162-L342 HydrophobicContact CB-CD2 3.7Å; A162-L342 HydrophobicContact CB-CG 4.36Å; A162-M347 HydrophobicContact CB-SD 4.46Å
163	P	77.4	Confident	76.5	Confident	12 Å²	12	31.2 Å²	31.2	8%	0.078	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	146.5	172.9	24.4	-28.4	0	0	0	110.2	N137 D165 A166 K350	N137-P163 CarbonylContact O-C 3.55Å; N137-P163 WeakPolarHBondContact O-CA 3.38Å; P163-D165 PolarHBondContact O-N 3.43Å; P163-D165 VanDerWaalsContact O-N 3.11Å; P163-A166 HydrophobicContact CG-CB 3.89Å; P163-A166 WeakPolarHBondContact O-CB 3.46Å; P163-A166 PolarHBondContact O-N 2.94Å; P163-K350 HydrophobicContact CB-CD 4.31Å; P163-K350 HydrophobicContact CG-CD 3.7Å
164	M	75.7	Confident	75.6	Confident	6 Å²	6	32.8 Å²	32.8	3%	0.03	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.4	-29.7	-177.6	-74	-69	-71.6	0	0	112.9	P136 N137 I139 A166 I167 L381 C384 C385 K388 Y389	P136-M164 WeakPolarHBondContact O-CG 3.4Å; N137-M164 PolarHBondContact O-N 2.91Å; I139-M164 HydrophobicContact CD1-SD 4.07Å; I139-M164 HydrophobicContact CG1-SD 3.81Å; M164-A166 VanDerWaalsContact C-N 3.3Å; M164-A166 PolarHBondContact O-N 2.88Å; M164-I167 PolarHBondContact O-N 2.91Å; M164-I167 HydrophobicContact SD-CD1 3.55Å; M164-I167 VanDerWaalsContact SD-CD1 3.55Å; M164-L381 HydrophobicContact CE-CD2 3.82Å; M164-L381 HydrophobicContact SD-CD2 4.45Å; M164-C384 HydrophobicContact CE-CB 4.36Å; M164-C385 WeakPolarHBondContact CE-SG 3.32Å; M164-K388 PolarHBondContact O-NZ 2.88Å; M164-Y389 HydrophobicContact CE-CE2 4.37Å
165	D	76.4	Confident	74.8	Confident	103 Å²	103	35.8 Å²	35.8	55%	0.551	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-64	-33.1	174.2	-55.8	-28.5	0	0	0	113.3	P163 I167 K350	P163-D165 PolarHBondContact O-N 3.43Å; P163-D165 VanDerWaalsContact O-N 3.11Å; D165-I167 VanDerWaalsContact C-N 3.25Å; D165-I167 PolarHBondContact O-N 2.81Å; D165-K350 IonicContact OD2-NZ 3.8Å; D165-K350 PolarHBondContact OD2-NZ 2.92Å
166	A	78.8	Confident	73.8	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-76.3	-14.8	-179.2	0	0	0	0	0	112.4	P163 M164 V168 L342 N343 I346 M347	P163-A166 HydrophobicContact CG-CB 3.89Å; P163-A166 WeakPolarHBondContact O-CB 3.46Å; P163-A166 PolarHBondContact O-N 2.94Å; M164-A166 VanDerWaalsContact C-N 3.3Å; M164-A166 PolarHBondContact O-N 2.88Å; A166-V168 PolarHBondContact O-N 3.06Å; A166-L342 CarbonylContact O-C 3.46Å; A166-L342 WeakPolarHBondContact O-CA 3.27Å; A166-N343 PolarHBondContact O-N 2.61Å; A166-I346 HydrophobicContact CB-CB 4.13Å; A166-I346 HydrophobicContact CB-CG2 3.79Å; A166-M347 HydrophobicContact CB-CG 4.11Å; A166-M347 HydrophobicContact CB-SD 3.71Å
167	I	72.5	Confident	73.1	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.8	-178.5	-57	178.3	0	0	0	109.7	I139 M164 D165 I170 L342 K388	I139-I167 HydrophobicContact CD1-CD1 3.39Å; I139-I167 HydrophobicContact CG1-CD1 3.78Å; M164-I167 PolarHBondContact O-N 2.91Å; M164-I167 HydrophobicContact SD-CD1 3.55Å; M164-I167 VanDerWaalsContact SD-CD1 3.55Å; D165-I167 VanDerWaalsContact C-N 3.25Å; D165-I167 PolarHBondContact O-N 2.81Å; I167-I170 HydrophobicContact CD1-CD1 4.17Å; I167-I170 HydrophobicContact CG2-CD1 3.86Å; I167-I170 HydrophobicContact CG2-CG1 3.56Å; I167-L342 HydrophobicContact CB-CD2 4.45Å; I167-L342 HydrophobicContact CG1-CD2 3.83Å; I167-K388 PolarHBondContact O-NZ 2.9Å
168	V	69.8	Low	71.9	Confident	77 Å²	77	27.5 Å²	27.5	47%	0.467	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-47.5	176.4	176.5	0	0	0	0	110	A166 F341 N343	A166-V168 PolarHBondContact O-N 3.06Å; V168-F341 HydrophobicContact CB-CD1 3.81Å; V168-F341 HydrophobicContact CB-CE1 4.48Å; V168-F341 HydrophobicContact CG1-CD1 3.88Å; V168-F341 HydrophobicContact CG1-CE1 4.35Å; V168-F341 HydrophobicContact CG2-CD1 4.31Å; V168-F341 PolarHBondContact N-O 2.93Å; V168-N343 HydrophobicContact CG2-CB 3.64Å
169	S	69.6	Low	70.7	Confident	31 Å²	31	30.2 Å²	30.2	22%	0.217	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.8	177.9	60.6	0	0	0	0	111.9	F341	S169-F341 PolarHBondContact N-O 3.12Å; S169-F341 PolarHBondContact O-N 3.05Å; S169-F341 WeakPolarHBondContact OG-CB 3.33Å
170	I	73.7	Confident	69.1	Low	12 Å²	12	35.3 Å²	35.3	6%	0.062	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.9	169.1	-60.8	175.8	0	0	0	107.1	I139 I167 L338 H339 F377 L381	I139-I170 HydrophobicContact CD1-CD1 3.97Å; I167-I170 HydrophobicContact CD1-CD1 4.17Å; I167-I170 HydrophobicContact CG2-CD1 3.86Å; I167-I170 HydrophobicContact CG2-CG1 3.56Å; I170-L338 HydrophobicContact CG2-CD1 3.53Å; I170-H339 VanDerWaalsContact CA-O 3.31Å; I170-H339 WeakPolarHBondContact CA-O 3.08Å; I170-F377 HydrophobicContact CD1-CZ 4.36Å; I170-F377 HydrophobicContact CG2-CE1 3.82Å; I170-F377 HydrophobicContact CG2-CZ 4.08Å; I170-L381 HydrophobicContact CD1-CD1 3.69Å; I170-L381 HydrophobicContact CD1-CD2 3.86Å; I170-L381 HydrophobicContact CD1-CG 4.46Å; I170-L381 HydrophobicContact CG2-CD1 4.31Å
171	A	67.8	Low	67.5	Low	22 Å²	22	39.9 Å²	39.9	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.9	176.5	0	0	0	0	0	110.4	F173 L338 H339	A171-F173 HydrophobicContact CB-CD2 4.44Å; A171-F173 HydrophobicContact CB-CE2 3.66Å; A171-F173 HydrophobicContact CB-CZ 3.82Å; A171-L338 CarbonylContact O-C 3.55Å; A171-L338 WeakPolarHBondContact O-CA 3.37Å; A171-H339 HydrophobicContact CB-CB 4.35Å; A171-H339 PolarHBondContact N-O 3.21Å; A171-H339 PolarHBondContact O-N 3Å
172	L	72.3	Confident	65.7	Low	16 Å²	16	48.8 Å²	48.8	8%	0.084	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.4	177.8	-169.6	71	0	0	0	108.7	Y190 F336 F337 L338 M369 A374	L172-Y190 HydrophobicContact CD2-CD1 3.97Å; L172-Y190 HydrophobicContact CD2-CG 3.99Å; L172-Y190 WeakPolarHBondContact O-CB 3.37Å; L172-Y190 PolarHBondContact O-N 3.17Å; L172-F336 HydrophobicContact CD1-CB 3.64Å; L172-F336 HydrophobicContact CD2-CB 4.18Å; L172-F336 HydrophobicContact CD2-CD2 3.67Å; L172-F336 HydrophobicContact CD2-CE2 4.37Å; L172-F336 HydrophobicContact CD2-CG 4.23Å; L172-F336 HydrophobicContact CG-CB 3.8Å; L172-F336 HydrophobicContact CG-CD2 4.16Å; L172-F336 HydrophobicContact CG-CG 4.22Å; L172-F337 CarbonylContact C-O 3.48Å; L172-F337 WeakPolarHBondContact CA-O 3.21Å; L172-L338 HydrophobicContact CD1-CB 3.96Å; L172-L338 HydrophobicContact CD1-CD1 4.14Å; L172-M369 HydrophobicContact CD1-CB 4.36Å; L172-M369 HydrophobicContact CD1-SD 4.25Å; L172-A374 HydrophobicContact CD2-CB 3.59Å
173	F	66.9	Low	63.8	Low	8 Å²	8	59.2 Å²	59.2	4%	0.035	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.6	-175.3	-59.9	-86.4	0	0	0	111.5	A171 A178 H184 V189 F336 F337 H339 W366	A171-F173 HydrophobicContact CB-CD2 4.44Å; A171-F173 HydrophobicContact CB-CE2 3.66Å; A171-F173 HydrophobicContact CB-CZ 3.82Å; F173-A178 HydrophobicContact CB-CB 3.59Å; F173-A178 HydrophobicContact CD1-CB 3.49Å; F173-A178 VanDerWaalsContact CD1-CB 3.49Å; F173-A178 HydrophobicContact CD2-CB 3.84Å; F173-A178 HydrophobicContact CE1-CB 4.06Å; F173-A178 HydrophobicContact CE2-CB 4.36Å; F173-A178 HydrophobicContact CG-CB 3.35Å; F173-A178 HydrophobicContact CZ-CB 4.46Å; F173-H184 AromaticContact CD1-CD2 3.96Å; F173-H184 HydrophobicContact CE1-CB 4.04Å; F173-H184 AromaticContact CE1-CD2 3.31Å; F173-H184 WeakPolarHBondContact CE1-CD2 3.21Å; F173-H184 AromaticContact CE1-CG 3.63Å; F173-H184 AromaticContact CE1-NE2 3.96Å; F173-H184 AromaticContact CZ-CD2 3.78Å; F173-H184 AromaticContact CZ-NE2 3.97Å; F173-V189 HydrophobicContact CD1-CG2 4.16Å; F173-V189 HydrophobicContact CE1-CG2 3.88Å; F173-F336 CarbonylContact O-C 3.51Å; F173-F336 WeakPolarHBondContact O-CA 3.24Å; F173-F337 HydrophobicContact CB-CB 4.23Å; F173-F337 PolarHBondContact N-O 2.87Å; F173-F337 PolarHBondContact O-N 3.26Å; F173-H339 HydrophobicContact CD2-CB 4.43Å; F173-H339 HydrophobicContact CE2-CB 3.84Å; F173-W366 HydrophobicContact CD2-CH2 4.1Å; F173-W366 AromaticContact CD2-CZ3 3.74Å; F173-W366 HydrophobicContact CD2-CZ3 3.74Å; F173-W366 AromaticContact CE2-CH2 3.73Å; F173-W366 HydrophobicContact CE2-CH2 3.73Å; F173-W366 AromaticContact CE2-CZ3 3.81Å; F173-W366 HydrophobicContact CE2-CZ3 3.81Å; F173-W366 HydrophobicContact CZ-CH2 4.48Å
174	K	64.7	Low	62.4	Low	84 Å²	84	62.2 Å²	62.2	37%	0.365	32%	0.321	S	S	.	.	S	Bend	trans	-76.3	-26.8	-179.4	-65	172.7	-172.9	156.6	0	113.5	D187 E188 F336	K174-D187 PolarHBondContact NZ-O 3.33Å; K174-E188 PolarHBondContact N-O 2.98Å; K174-F336 HydrophobicContact CB-CD1 4.49Å; K174-F336 HydrophobicContact CB-CE1 4.3Å; K174-F336 HydrophobicContact CG-CD1 4.38Å; K174-F336 HydrophobicContact CG-CE1 3.88Å
175	N	61.1	Low	60.6	Low	80 Å²	80	64 Å²	64	43%	0.428	33%	0.334	S	S	.	.	S	Bend	trans	-131.3	151	-171	-65.2	-40.6	0	0	0	111.6	S177 A178 F337	N175-S177 PolarHBondContact O-N 3.37Å; N175-A178 PolarHBondContact O-N 2.82Å; N175-F337 VanDerWaalsContact C-CD2 3.42Å
176	A	60.9	Low	59	Low	36 Å²	36	63.2 Å²	63.2	30%	0.298	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.8	179	0	0	0	0	0	113.3	A178 I179 F337	A176-A178 PolarHBondContact O-N 2.61Å; A176-I179 WeakPolarHBondContact O-CB 3.43Å; A176-I179 PolarHBondContact O-N 3.39Å; A176-F337 HydrophobicContact CB-CE1 3.85Å; A176-F337 HydrophobicContact CB-CE2 3.78Å; A176-F337 HydrophobicContact CB-CZ 3.4Å
177	S	57.6	Low	57.3	Low	53 Å²	53	68.6 Å²	68.6	37%	0.371	36%	0.363	S	S	.	.	H	α-helix	trans	-53.8	-27.7	177.7	-48.1	0	0	0	0	112.4	N175 I179 T180 E181	N175-S177 PolarHBondContact O-N 3.37Å; S177-I179 PolarHBondContact O-N 3.06Å; S177-T180 PolarHBondContact O-N 3.36Å; S177-T180 PolarHBondContact O-OG1 3.11Å; S177-E181 PolarHBondContact O-N 2.84Å; S177-E181 VanDerWaalsContact O-N 3.1Å
178	A	55.8	Low	56.4	Low	2 Å²	2	70.5 Å²	70.5	2%	0.017	37%	0.372	C	S	.	.	H	α-helix	trans	-62.8	-24.7	176.6	0	0	0	0	0	114.2	F173 N175 A176 T180 H184 W366	F173-A178 HydrophobicContact CB-CB 3.59Å; F173-A178 HydrophobicContact CD1-CB 3.49Å; F173-A178 VanDerWaalsContact CD1-CB 3.49Å; F173-A178 HydrophobicContact CD2-CB 3.84Å; F173-A178 HydrophobicContact CE1-CB 4.06Å; F173-A178 HydrophobicContact CE2-CB 4.36Å; F173-A178 HydrophobicContact CG-CB 3.35Å; F173-A178 HydrophobicContact CZ-CB 4.46Å; N175-A178 PolarHBondContact O-N 2.82Å; A176-A178 PolarHBondContact O-N 2.61Å; A178-T180 VanDerWaalsContact C-N 3.3Å; A178-H184 PolarHBondContact O-NE2 2.99Å; A178-W366 HydrophobicContact CB-CH2 4.47Å; A178-W366 HydrophobicContact CB-CZ3 4.45Å; A178-W366 WeakPolarHBondContact O-CH2 2.85Å
179	I	56.6	Low	55.6	Low	66 Å²	66	69 Å²	69	34%	0.338	36%	0.363	S	S	.	.	H	α-helix	trans	-71.7	-29.3	175.7	-59.8	173.6	0	0	0	110.6	F121 A176 S177 F337 W366	F121-I179 HydrophobicContact CD1-CD1 4.47Å; F121-I179 HydrophobicContact CD2-CD1 4.1Å; F121-I179 HydrophobicContact CE1-CD1 4.48Å; F121-I179 HydrophobicContact CE2-CD1 4.11Å; F121-I179 HydrophobicContact CG-CD1 4.29Å; F121-I179 HydrophobicContact CZ-CD1 4.32Å; A176-I179 WeakPolarHBondContact O-CB 3.43Å; A176-I179 PolarHBondContact O-N 3.39Å; S177-I179 PolarHBondContact O-N 3.06Å; I179-F337 HydrophobicContact CD1-CD1 3.62Å; I179-F337 HydrophobicContact CD1-CE1 3.88Å; I179-F337 HydrophobicContact CG1-CD1 4.32Å; I179-W366 HydrophobicContact CG1-CD2 4.21Å; I179-W366 HydrophobicContact CG1-CE3 3.78Å; I179-W366 HydrophobicContact CG1-CZ3 4.04Å
180	T	49.5	Very low	54.6	Low	115 Å²	115	69.9 Å²	69.9	71%	0.706	36%	0.362	S	S	*	.	H	α-helix	trans	-102.5	-17.8	-171	47	0	0	0	0	114.7	S177 A178	S177-T180 PolarHBondContact O-N 3.36Å; S177-T180 PolarHBondContact O-OG1 3.11Å; A178-T180 VanDerWaalsContact C-N 3.3Å
181	E	49.2	Very low	53.3	Low	99 Å²	99	75 Å²	75	46%	0.463	38%	0.38	S	S	.	.			trans	-107.8	124.6	-172.5	-65.7	-177.3	-165.1	0	0	112	S177 R183 H184	S177-E181 PolarHBondContact O-N 2.84Å; S177-E181 VanDerWaalsContact O-N 3.1Å; E181-R183 PolarHBondContact O-N 3.32Å; E181-H184 PolarHBondContact O-CE1 3.37Å; E181-H184 VanDerWaalsContact O-CE1 3.23Å; E181-H184 PolarHBondContact O-NE2 2.97Å
182	E	43.4	Very low	52.4	Low	198 Å²	198	74.5 Å²	74.5	93%	0.925	38%	0.376	S	S	*	.	S	Bend	trans	-72	-1.1	178	-72.2	-176.5	166	0	0	113.8
183	R	40.1	Very low	51	Low	219 Å²	219	78.4 Å²	78.4	83%	0.826	40%	0.403	S	S	*	.	S	Bend	trans	-138.4	100.9	-175.1	-68.6	-175	-177.6	-178.8	0.2	110.9	E181	E181-R183 PolarHBondContact O-N 3.32Å
184	H	48.5	Very low	49.7	Very low	76 Å²	76	85.6 Å²	85.6	35%	0.352	44%	0.441	S	S	.	.			trans	-86.6	133.6	179.4	-51.5	84.4	0	0	0	111.5	F173 A178 E181	F173-H184 AromaticContact CD1-CD2 3.96Å; F173-H184 HydrophobicContact CE1-CB 4.04Å; F173-H184 AromaticContact CE1-CD2 3.31Å; F173-H184 WeakPolarHBondContact CE1-CD2 3.21Å; F173-H184 AromaticContact CE1-CG 3.63Å; F173-H184 AromaticContact CE1-NE2 3.96Å; F173-H184 AromaticContact CZ-CD2 3.78Å; F173-H184 AromaticContact CZ-NE2 3.97Å; A178-H184 PolarHBondContact O-NE2 2.99Å; E181-H184 PolarHBondContact O-CE1 3.37Å; E181-H184 VanDerWaalsContact O-CE1 3.23Å; E181-H184 PolarHBondContact O-NE2 2.97Å
185	S	37.7	Very low	48.6	Very low	43 Å²	43	83.2 Å²	83.2	30%	0.301	43%	0.434	S	S	.	.			trans	-75.4	142.6	166.1	70.4	0	0	0	0	109.6	D187 E188	S185-D187 PolarHBondContact O-N 2.87Å; S185-E188 PolarHBondContact O-N 2.94Å; S185-E188 WeakPolarHBondContact OG-CG 3.32Å; S185-E188 PolarHBondContact OG-OE1 2.58Å
186	P	43.1	Very low	47	Very low	87 Å²	87	82.2 Å²	82.2	57%	0.565	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.4	179.6	-24.6	33.1	0	0	0	114.4	R191	P186-R191 PolarHBondContact O-NH2 3.36Å
187	D	42.4	Very low	45.3	Very low	112 Å²	112	90.1 Å²	90.1	60%	0.599	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.4	-175.3	-64.6	-32.1	0	0	0	113.8	K174 S185 V189 R191	K174-D187 PolarHBondContact NZ-O 3.33Å; S185-D187 PolarHBondContact O-N 2.87Å; D187-V189 VanDerWaalsContact C-N 3.31Å; D187-R191 IonicContact OD1-NH1 3.78Å
188	E	52.8	Low	43.8	Very low	45 Å²	45	94.9 Å²	94.9	21%	0.21	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.9	177.9	-76.5	168.2	-137.5	0	0	113.3	K174 S185	K174-E188 PolarHBondContact N-O 2.98Å; S185-E188 PolarHBondContact O-N 2.94Å; S185-E188 WeakPolarHBondContact OG-CG 3.32Å; S185-E188 PolarHBondContact OG-OE1 2.58Å
189	V	53	Low	42.3	Very low	46 Å²	46	102 Å²	102	28%	0.279	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-79.9	137.3	177.4	-172.8	0	0	0	0	109.6	F173 D187 R191	F173-V189 HydrophobicContact CD1-CG2 4.16Å; F173-V189 HydrophobicContact CE1-CG2 3.88Å; D187-V189 VanDerWaalsContact C-N 3.31Å; V189-R191 PolarHBondContact O-N 3.39Å
190	Y	49.2	Very low	41	Very low	48 Å²	48	102.9 Å²	102.9	19%	0.188	53%	0.533	C	S	.	.			trans	-65.3	128.7	172.6	-177.2	-101.6	0	0	0	110.3	L172 A192 F336 A374 D375	L172-Y190 HydrophobicContact CD2-CD1 3.97Å; L172-Y190 HydrophobicContact CD2-CG 3.99Å; L172-Y190 WeakPolarHBondContact O-CB 3.37Å; L172-Y190 PolarHBondContact O-N 3.17Å; Y190-A192 HydrophobicContact CE1-CB 4.48Å; Y190-F336 HydrophobicContact CD2-CD2 4.44Å; Y190-F336 HydrophobicContact CD2-CE1 4.49Å; Y190-F336 AromaticContact CD2-CE2 3.58Å; Y190-F336 HydrophobicContact CD2-CE2 3.58Å; Y190-F336 AromaticContact CD2-CZ 3.6Å; Y190-F336 HydrophobicContact CD2-CZ 3.6Å; Y190-F336 AromaticContact CE2-CE2 3.72Å; Y190-F336 HydrophobicContact CE2-CE2 3.72Å; Y190-F336 AromaticContact CE2-CZ 3.87Å; Y190-F336 HydrophobicContact CE2-CZ 3.87Å; Y190-F336 HydrophobicContact CG-CE2 4.31Å; Y190-A374 HydrophobicContact CE1-CB 4.1Å; Y190-D375 VanDerWaalsContact OH-CG 3.29Å; Y190-D375 PolarHBondContact OH-OD1 3.02Å; Y190-D375 PolarHBondContact OH-OD2 3.26Å
191	R	47.3	Very low	40	Very low	119 Å²	119	105.1 Å²	105.1	45%	0.449	53%	0.533	S	S	.	.			trans	-113.7	130	169.3	-67.1	-171.3	-172.7	107.2	0.5	108.2	P186 D187 V189	P186-R191 PolarHBondContact O-NH2 3.36Å; D187-R191 IonicContact OD1-NH1 3.78Å; V189-R191 PolarHBondContact O-N 3.39Å
192	A	48.8	Very low	39.2	Very low	12 Å²	12	104.5 Å²	104.5	10%	0.099	53%	0.529	C	S	.	.			trans	-64.7	142.3	178	0	0	0	0	0	110.3	Y190 N194 V195 Y378	Y190-A192 HydrophobicContact CE1-CB 4.48Å; A192-N194 PolarHBondContact O-N 3.29Å; A192-V195 HydrophobicContact CB-CG2 4.38Å; A192-V195 PolarHBondContact O-N 3.12Å; A192-Y378 HydrophobicContact CB-CD1 3.71Å; A192-Y378 HydrophobicContact CB-CE1 3.67Å; A192-Y378 HydrophobicContact CB-CG 4.31Å
193	P	42.1	Very low	38.5	Very low	99 Å²	99	100.4 Å²	100.4	64%	0.643	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-3.5	-169.6	-22.7	32.3	0	0	0	117.1
194	N	40.4	Very low	37.8	Very low	158 Å²	158	97.9 Å²	97.9	85%	0.845	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	16.4	-173.1	-63.7	-28	0	0	0	114	A192	A192-N194 PolarHBondContact O-N 3.29Å
195	V	40.6	Very low	36.7	Very low	34 Å²	34	100 Å²	100	21%	0.206	53%	0.53	C	S	.	.			trans	-106.8	102.1	178.6	-172.3	0	0	0	0	109.1	A192 F200 H391	A192-V195 HydrophobicContact CB-CG2 4.38Å; A192-V195 PolarHBondContact O-N 3.12Å; V195-F200 HydrophobicContact CB-CE2 4.02Å; V195-F200 HydrophobicContact CB-CZ 4.19Å; V195-F200 HydrophobicContact CG1-CE2 3.53Å; V195-F200 HydrophobicContact CG1-CZ 3.72Å; V195-F200 HydrophobicContact CG2-CE2 4.37Å; V195-F200 HydrophobicContact CG2-CZ 4.06Å; V195-H391 VanDerWaalsContact CG1-CE1 3.44Å; V195-H391 WeakPolarHBondContact CG1-CE1 3.13Å; V195-H391 VanDerWaalsContact CG1-NE2 3.3Å; V195-H391 WeakPolarHBondContact CG1-NE2 3.14Å
196	G	28.9	Very low	36.1	Very low	60 Å²	60	103.8 Å²	103.8	62%	0.619	56%	0.557	S	S	*	*			trans	-60.1	154.7	174.6	0	0	0	0	0	112.2	L198	G196-L198 PolarHBondContact O-N 3.24Å
197	E	25	Very low	35.4	Very low	202 Å²	202	103.1 Å²	103.1	94%	0.944	56%	0.559	S	S	*	*	S	Bend	trans	-39.5	94.1	-179.2	-71.8	175.1	135	0	0	113.5
198	L	25.9	Very low	34.7	Very low	152 Å²	152	107.9 Å²	107.9	80%	0.796	57%	0.568	S	S	*	*			trans	-159.9	130.4	162.6	-99.4	149.4	0	0	0	108.4	G196 F200	G196-L198 PolarHBondContact O-N 3.24Å; L198-F200 PolarHBondContact O-N 3.45Å
199	D	24.6	Very low	33.4	Very low	152 Å²	152	116 Å²	116	81%	0.813	60%	0.599	S	S	*	*			trans	-53.1	117.3	-167.9	-70.8	-50.5	0	0	0	114.2	F201	D199-F201 VanDerWaalsContact C-N 3.34Å; D199-F201 PolarHBondContact O-N 3.49Å
200	F	28.5	Very low	32.2	Very low	84 Å²	84	122 Å²	122	37%	0.368	62%	0.621	S	S	.	*			trans	-70.7	89.8	163.5	-82.7	-83.9	0	0	0	109.7	V195 L198 F202	V195-F200 HydrophobicContact CB-CE2 4.02Å; V195-F200 HydrophobicContact CB-CZ 4.19Å; V195-F200 HydrophobicContact CG1-CE2 3.53Å; V195-F200 HydrophobicContact CG1-CZ 3.72Å; V195-F200 HydrophobicContact CG2-CE2 4.37Å; V195-F200 HydrophobicContact CG2-CZ 4.06Å; L198-F200 PolarHBondContact O-N 3.45Å; F200-F202 HydrophobicContact CD1-CE2 4.34Å; F200-F202 HydrophobicContact CD1-CZ 4.48Å
201	F	27.8	Very low	31.1	Very low	162 Å²	162	127.6 Å²	127.6	71%	0.711	65%	0.647	S	S	*	*			trans	-110.7	95.9	164.6	-125.8	-91.1	0	0	0	108.2	D199 Y204	D199-F201 VanDerWaalsContact C-N 3.34Å; D199-F201 PolarHBondContact O-N 3.49Å; F201-Y204 HydrophobicContact CD1-CD2 4.37Å; F201-Y204 AromaticContact CE1-CD2 3.8Å; F201-Y204 HydrophobicContact CE1-CD2 3.8Å; F201-Y204 HydrophobicContact CE1-CE2 4.27Å
202	F	32.4	Very low	30.1	Very low	87 Å²	87	130 Å²	130	38%	0.382	66%	0.656	S	S	.	*			trans	-61.9	132.6	169.4	-74.3	-81.2	0	0	0	108.8	F200 Y204 Y389	F200-F202 HydrophobicContact CD1-CE2 4.34Å; F200-F202 HydrophobicContact CD1-CZ 4.48Å; F202-Y204 PolarHBondContact O-N 3.43Å; F202-Y389 AromaticContact CE1-CD1 3.9Å; F202-Y389 HydrophobicContact CE1-CD1 3.9Å; F202-Y389 AromaticContact CE1-CE1 3.9Å; F202-Y389 HydrophobicContact CE1-CE1 3.9Å
203	P	28.8	Very low	29.1	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	68%	0.684	S	S	*	*			trans	-61.9	109.9	-163.1	20.1	-30.7	0	0	0	112.9	T205	P203-T205 VanDerWaalsContact C-N 3.32Å; P203-T205 PolarHBondContact O-N 3.32Å
204	Y	26.4	Very low	28.4	Very low	165 Å²	165	136.7 Å²	136.7	65%	0.647	69%	0.687	S	S	*	*			trans	-59.3	86.9	158.6	-107.7	-90.3	0	0	0	109.9	F201 F202	F201-Y204 HydrophobicContact CD1-CD2 4.37Å; F201-Y204 AromaticContact CE1-CD2 3.8Å; F201-Y204 HydrophobicContact CE1-CD2 3.8Å; F201-Y204 HydrophobicContact CE1-CE2 4.27Å; F202-Y204 PolarHBondContact O-N 3.43Å
205	T	25.7	Very low	27.8	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	68%	0.679	S	S	*	*			trans	-145	65.3	170.7	-18.7	0	0	0	0	112.6	P203	P203-T205 VanDerWaalsContact C-N 3.32Å; P203-T205 PolarHBondContact O-N 3.32Å
206	S	25.4	Very low	27.4	Very low	124 Å²	124	138.2 Å²	138.2	87%	0.867	70%	0.698	S	S	*	*	S	Bend	trans	-171.4	-7.1	147.8	-86.2	0	0	0	0	115.9
207	A	27.2	Very low	27.4	Very low	73 Å²	73	144.3 Å²	144.3	60%	0.603	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-94.5	5.7	179.3	0	0	0	0	0	116	Y209	A207-Y209 VanDerWaalsContact C-N 3.35Å; A207-Y209 PolarHBondContact O-N 2.86Å
208	R	27.3	Very low	27.4	Very low	211 Å²	211	139.9 Å²	139.9	80%	0.796	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-83	1.5	178.6	-95.9	-174.1	175.1	170.7	0.9	115.6
209	Y	26.3	Very low	27.5	Very low	217 Å²	217	138.5 Å²	138.5	85%	0.851	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-115	2.1	-178.9	-86.6	-81.1	0	0	0	116.8	A207	A207-Y209 VanDerWaalsContact C-N 3.35Å; A207-Y209 PolarHBondContact O-N 2.86Å
210	F	26.5	Very low	27.7	Very low	172 Å²	172	136 Å²	136	75%	0.754	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-17.9	-178.6	-143.6	-102	0	0	0	115.7
211	F	26.1	Very low	27.6	Very low	165 Å²	165	141.6 Å²	141.6	72%	0.724	73%	0.728	S	S	*	*	S	Bend	trans	-114.2	7.5	-178.4	-82.1	-79.9	0	0	0	116.2
212	R	26.4	Very low	27.8	Very low	169 Å²	169	139.2 Å²	139.2	64%	0.638	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-6.7	172.8	-158.7	169.9	176.2	173.4	-0.2	114.4	E216	R212-E216 IonicContact CZ-OE1 3.76Å; R212-E216 IonicContact NE-OE1 3.03Å; R212-E216 PolarHBondContact NE-OE1 3.28Å; R212-E216 IonicContact NE-OE2 3.79Å; R212-E216 IonicContact NH2-OE1 2.93Å; R212-E216 PolarHBondContact NH2-OE1 3.08Å
213	T	27.7	Very low	27.5	Very low	114 Å²	114	142.8 Å²	142.8	70%	0.699	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-3	-176	-47.6	0	0	0	0	114.1
214	I	28.2	Very low	27.6	Very low	138 Å²	138	143 Å²	143	71%	0.708	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	-12.8	179.4	-59	-177	0	0	0	112.8
215	S	29.1	Very low	27.7	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	76%	0.757	S	S	*	*	S	Bend	trans	-104.4	-2.3	178.5	-163.6	0	0	0	0	115.4
216	E	30.3	Very low	27.8	Very low	129 Å²	129	140.5 Å²	140.5	60%	0.603	76%	0.761	S	S	*	*	S	Bend	trans	-98.2	11.6	172.9	-75.6	179.6	171.5	0	0	112.9	R212	R212-E216 IonicContact CZ-OE1 3.76Å; R212-E216 IonicContact NE-OE1 3.03Å; R212-E216 PolarHBondContact NE-OE1 3.28Å; R212-E216 IonicContact NE-OE2 3.79Å; R212-E216 IonicContact NH2-OE1 2.93Å; R212-E216 PolarHBondContact NH2-OE1 3.08Å
217	K	29.3	Very low	27.9	Very low	187 Å²	187	139.1 Å²	139.1	81%	0.813	75%	0.752	S	S	*	*	S	Bend	trans	-113.2	6.9	177.2	-85	-174.9	175.8	178.9	0	115.7
218	C	26.2	Very low	27.9	Very low	110 Å²	110	140.1 Å²	140.1	74%	0.743	76%	0.76	S	S	*	*	S	Bend	trans	-144.3	54.6	179	-65	0	0	0	0	111.6
219	S	27.4	Very low	27.9	Very low	122 Å²	122	137 Å²	137	85%	0.853	76%	0.759	S	S	*	*	S	Bend	trans	-177.2	64.5	164.6	-81	0	0	0	0	110.2
220	A	28.9	Very low	28.1	Very low	100 Å²	100	130.8 Å²	130.8	83%	0.826	75%	0.747	S	S	*	*			trans	-160.9	52.5	166.9	0	0	0	0	0	110.3
221	E	26.2	Very low	28.5	Very low	201 Å²	201	129.4 Å²	129.4	94%	0.939	75%	0.748	S	S	*	*			trans	-111	84.6	161.9	-83.3	-176.9	166.2	0	0	108
222	S	31.4	Very low	28.6	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	75%	0.754	S	S	*	*			trans	-150.1	117.4	148.9	51.6	0	0	0	0	107.7
223	N	26.3	Very low	29	Very low	162 Å²	162	129.1 Å²	129.1	87%	0.866	76%	0.755	S	S	*	*			trans	-50.8	152.9	-175.9	-61.8	-60	0	0	0	112.3
224	P	30.5	Very low	29.1	Very low	117 Å²	117	133 Å²	133	76%	0.76	76%	0.762	S	S	*	*				-146.9	139.5	86.3	36.7	-18	0	0	0	116.1
225	S	29	Very low	29.3	Very low	95 Å²	95	133.3 Å²	133.3	66%	0.664	77%	0.77	S	S	*	*			trans	49	122.6	134.1	66.8	0	0	0	0	121.7
226	V	28.6	Very low	29	Very low	137 Å²	137	137.8 Å²	137.8	83%	0.83	78%	0.778	S	S	*	*			trans	72.7	138.6	130.7	178.6	0	0	0	0	116.4
227	S	26.7	Very low	28.8	Very low	96 Å²	96	140.3 Å²	140.3	67%	0.671	79%	0.787	S	S	*	*			cis	-174.2	147	-25.4	56.4	0	0	0	0	104.2
228	A	27.5	Very low	28.7	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	79%	0.786	S	S	*	*			trans	38.8	133	152.4	0	0	0	0	0	118.9
229	D	27.5	Very low	28.6	Very low	147 Å²	147	140.4 Å²	140.4	79%	0.786	79%	0.793	S	S	*	*			cis	-176.4	159.8	42.4	-150.7	-23.3	0	0	0	109.4
230	S	30.4	Very low	28.5	Very low	86 Å²	86	139 Å²	139	60%	0.601	78%	0.783	S	S	*	*			trans	-27	140.1	170.8	54.9	0	0	0	0	121.1
231	N	34.5	Very low	28.4	Very low	143 Å²	143	143.3 Å²	143.3	77%	0.765	79%	0.786	S	S	*	*				-174	107.2	117.6	-109.6	-37.3	0	0	0	115.1
232	R	29.8	Very low	28.5	Very low	228 Å²	228	137.7 Å²	137.7	86%	0.86	78%	0.782	S	S	*	*				68.1	161.7	124.2	-110.5	-171.1	-169.8	-159.3	4.4	121.4
233	P	33.9	Very low	28.2	Very low	99 Å²	99	141.1 Å²	141.1	64%	0.643	79%	0.788	S	S	*	*				-129.7	174.9	-91.4	42	-26.3	0	0	0	114.1
234	K	30.2	Very low	28.3	Very low	196 Å²	196	137.7 Å²	137.7	85%	0.852	78%	0.776	S	S	*	*			trans	169.5	138	132.2	-92.7	164.7	-173.9	-179.5	0	114.5
235	V	31.3	Very low	28.3	Very low	144 Å²	144	144 Å²	144	87%	0.873	79%	0.787	S	S	*	*			trans	81.9	112.8	162.4	-152.2	0	0	0	0	118.5
236	F	23.5	Very low	28.3	Very low	190 Å²	190	145.7 Å²	145.7	83%	0.833	79%	0.787	S	S	*	*			trans	-126.6	154.1	-179.8	-135.4	-82.7	0	0	0	108.8
237	K	25.8	Very low	28.6	Very low	182 Å²	182	145.7 Å²	145.7	79%	0.791	78%	0.782	S	S	*	*			trans	75.2	111.5	163.3	-91.8	156.9	-176.5	-176	0	117.7
238	T	27.5	Very low	28.6	Very low	131 Å²	131	151.7 Å²	151.7	80%	0.804	79%	0.79	S	S	*	*				-163.3	117.3	97.7	-63.8	0	0	0	0	109.7
239	L	24.3	Very low	28.9	Very low	167 Å²	167	152.1 Å²	152.1	87%	0.874	79%	0.793	S	S	*	*			trans	-84.4	151.9	163.1	-87.2	157.4	0	0	0	108.4
240	S	24.7	Very low	28.9	Very low	92 Å²	92	148.9 Å²	148.9	64%	0.643	80%	0.795	S	S	*	*			trans	83.9	114.2	175.7	78.4	0	0	0	0	116.4
241	H	27.9	Very low	28.8	Very low	192 Å²	192	148.7 Å²	148.7	89%	0.889	81%	0.806	S	S	*	*				171.1	127.8	120.1	-92.4	65.1	0	0	0	110.2
242	G	27.9	Very low	28.7	Very low	83 Å²	83	146.7 Å²	146.7	86%	0.856	80%	0.804	S	S	*	*			trans	166.4	29.1	176.5	0	0	0	0	0	116
243	M	25.2	Very low	28.6	Very low	184 Å²	184	142.9 Å²	142.9	91%	0.906	80%	0.799	S	S	*	*			trans	-105	132	163.3	-96.1	161.8	73.5	0	0	107.9
244	S	28.6	Very low	28.2	Very low	90 Å²	90	145 Å²	145	63%	0.629	80%	0.804	S	S	*	*				163.3	122	128.1	48.2	0	0	0	0	113
245	Y	29.6	Very low	28.1	Very low	249 Å²	249	143.9 Å²	143.9	98%	0.976	80%	0.802	S	S	*	*			trans	-126.4	121.8	130.5	-84.2	-82.2	0	0	0	106.3
246	I	30.3	Very low	27.9	Very low	131 Å²	131	148.4 Å²	148.4	67%	0.672	80%	0.803	S	S	*	*			trans	-113.5	142.9	-171.2	-70	169.4	0	0	0	108.9
247	N	32.8	Very low	28	Very low	136 Å²	136	143.2 Å²	143.2	73%	0.727	80%	0.795	S	S	*	*				162.6	140.9	127.7	-90.2	-47.8	0	0	0	108.9
248	R	27.9	Very low	28	Very low	223 Å²	223	143.2 Å²	143.2	84%	0.842	80%	0.798	S	S	*	*			cis	-176.7	163.5	-3	-163.4	175.3	-164.6	163.9	3.9	106.3
249	A	32.7	Very low	28	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	80%	0.798	S	S	*	*			trans	82.4	113.4	169.2	0	0	0	0	0	115.1
250	G	27.8	Very low	28.4	Very low	79 Å²	79	140.7 Å²	140.7	81%	0.814	79%	0.794	S	S	*	*			cis	123.4	100	19.1	0	0	0	0	0	107.5
251	G	28.5	Very low	28.6	Very low	82 Å²	82	141.8 Å²	141.8	85%	0.845	80%	0.802	S	S	*	*			trans	-72.3	160.3	-175.8	0	0	0	0	0	114.1
252	S	31.9	Very low	28.9	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	80%	0.799	S	S	*	*			trans	-165.2	147.5	145.1	78.2	0	0	0	0	110.7
253	I	29.4	Very low	28.9	Very low	148 Å²	148	138.4 Å²	138.4	76%	0.759	80%	0.799	S	S	*	*			trans	85.3	93.6	154	-54.5	158.2	0	0	0	115.9
254	L	25.1	Very low	29.2	Very low	143 Å²	143	135.8 Å²	135.8	75%	0.749	80%	0.799	S	S	*	*				64	118.8	85.9	-90.6	158.4	0	0	0	116
255	Q	28.1	Very low	29.2	Very low	172 Å²	172	135.1 Å²	135.1	80%	0.804	80%	0.799	S	S	*	*			trans	62.9	110.1	142.5	-82.1	179	-33	0	0	121
256	R	27.5	Very low	29	Very low	239 Å²	239	130 Å²	130	90%	0.902	79%	0.793	S	S	*	*				162.2	106.5	118	-98.5	174.9	156.5	132.2	-7	107.8
257	A	25.5	Very low	28.8	Very low	81 Å²	81	134 Å²	134	67%	0.669	81%	0.806	S	S	*	*				70.5	112.7	75.9	0	0	0	0	0	114
258	Q	25.4	Very low	28.4	Very low	182 Å²	182	132.6 Å²	132.6	85%	0.85	81%	0.813	S	S	*	*			trans	88.2	127.4	139	-67.1	174.2	-18.3	0	0	121
259	S	27.4	Very low	28.3	Very low	115 Å²	115	126.6 Å²	126.6	80%	0.804	81%	0.811	S	S	*	*			trans	71.5	131.4	156	74.7	0	0	0	0	114.7
260	V	32.7	Very low	28	Very low	131 Å²	131	133.8 Å²	133.8	79%	0.794	82%	0.817	S	S	*	*			cis	-154.6	145.1	48.2	175	0	0	0	0	109.9
261	S	29.1	Very low	27.8	Very low	115 Å²	115	138.7 Å²	138.7	80%	0.804	82%	0.821	S	S	*	*			trans	-53.4	149.5	171.7	50.8	0	0	0	0	116.1
262	G	33.1	Very low	27.6	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	82%	0.817	S	S	*	*			trans	174.2	95.2	161	0	0	0	0	0	114
263	S	29.2	Very low	27.3	Very low	123 Å²	123	141.7 Å²	141.7	86%	0.86	82%	0.818	S	S	*	*			trans	-58.1	126.9	177.4	-93.1	0	0	0	0	114.4
264	S	31.4	Very low	27.2	Very low	129 Å²	129	142.3 Å²	142.3	90%	0.902	82%	0.823	S	S	*	*				-138.9	91.9	129.9	-171.7	0	0	0	0	107.5
265	A	26.9	Very low	27.1	Very low	76 Å²	76	144.1 Å²	144.1	63%	0.628	83%	0.83	S	S	*	*			trans	-84.8	164.1	178.9	0	0	0	0	0	110.7
266	V	26.9	Very low	27.2	Very low	142 Å²	142	141.9 Å²	141.9	86%	0.861	83%	0.83	S	S	*	*			trans	94.8	68.6	164.4	-158.8	0	0	0	0	116.2
267	K	26.2	Very low	27.1	Very low	215 Å²	215	141.6 Å²	141.6	94%	0.935	83%	0.829	S	S	*	*	S	Bend	trans	-162	12.7	144.4	-128.6	173.6	-178.9	177.2	0	118.5
268	A	24.7	Very low	27.2	Very low	107 Å²	107	147.2 Å²	147.2	88%	0.884	84%	0.838	S	S	*	*	S	Bend	trans	-136.1	31.7	-175.2	0	0	0	0	0	115
269	A	24.7	Very low	27.3	Very low	97 Å²	97	146.6 Å²	146.6	80%	0.802	84%	0.84	S	S	*	*			trans	-137	81.2	178.2	0	0	0	0	0	112
270	R	25.9	Very low	27.2	Very low	252 Å²	252	147.1 Å²	147.1	95%	0.951	84%	0.838	S	S	*	*			trans	-162.3	62.2	152.8	-121.1	176.7	-178.6	170.6	0.6	110.3
271	M	25	Very low	26.9	Very low	182 Å²	182	148 Å²	148	90%	0.897	83%	0.833	S	S	*	*			trans	-76.8	142.1	152.8	-93.9	-178.4	169.5	0	0	107.9
272	V	24.2	Very low	26.8	Very low	127 Å²	127	149.9 Å²	149.9	77%	0.77	83%	0.831	S	S	*	*	S	Bend	trans	82	128.3	168.8	-157.9	0	0	0	0	115.7
273	T	25.3	Very low	26.4	Very low	120 Å²	120	150.3 Å²	150.3	74%	0.736	82%	0.822	S	S	*	*			trans	94	97.5	170.2	72.6	0	0	0	0	118.2
274	N	27.1	Very low	26.3	Very low	160 Å²	160	151.3 Å²	151.3	86%	0.856	82%	0.823	S	S	*	*				165.9	98.8	124.1	-88.4	-13.8	0	0	0	112.8
275	M	22.5	Very low	26.1	Very low	181 Å²	181	148.8 Å²	148.8	89%	0.892	82%	0.817	S	S	*	*			trans	-93	139.1	151.4	-97.3	-160.5	173	0	0	108.4
276	P	29.7	Very low	26.1	Very low	125 Å²	125	156.5 Å²	156.5	81%	0.812	83%	0.83	S	S	*	*			trans	-122.6	115	154	29.9	-14.1	0	0	0	111.8
277	R	26.5	Very low	26	Very low	233 Å²	233	156.7 Å²	156.7	88%	0.879	83%	0.825	S	S	*	*			trans	-77.5	133.8	156.5	-73.3	177.1	169.4	176.2	-4.2	109.1
278	K	26.7	Very low	26	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.865	81%	0.811	S	S	*	*			trans	175.3	122.1	144.7	-104.1	175.4	-177	-175.5	0	110.6
279	L	28.6	Very low	26.3	Very low	169 Å²	169	151.2 Å²	151.2	89%	0.885	81%	0.811	S	S	*	*				-170.2	116.4	115.3	-112.4	134.9	0	0	0	111.8
280	V	25	Very low	26.4	Very low	126 Å²	126	153 Å²	153	76%	0.764	81%	0.812	S	S	*	*			trans	-104.9	121.1	157.4	175.6	0	0	0	0	104.7
281	H	27.1	Very low	26.7	Very low	149 Å²	149	145.7 Å²	145.7	69%	0.69	80%	0.797	S	S	*	*			trans	165.3	131.6	132.5	-108.4	-98.4	0	0	0	112.8
282	M	25.4	Very low	26.8	Very low	155 Å²	155	143.5 Å²	143.5	76%	0.764	79%	0.794	S	S	*	*			trans	80.4	100.3	142.9	-62.3	167.3	86.5	0	0	117.4
283	S	24.8	Very low	27.1	Very low	90 Å²	90	140.8 Å²	140.8	63%	0.629	79%	0.792	S	S	*	*				73.3	109.4	67.2	82.5	0	0	0	0	115.2
284	T	27.1	Very low	27.3	Very low	144 Å²	144	144.9 Å²	144.9	88%	0.883	80%	0.799	S	S	*	*			trans	62.7	124.4	136.2	60.2	0	0	0	0	120.4
285	G	28.5	Very low	27.3	Very low	75 Å²	75	147.4 Å²	147.4	77%	0.773	80%	0.797	S	S	*	*			trans	152	81	154.1	0	0	0	0	0	113.3
286	W	25.6	Very low	27.5	Very low	239 Å²	239	144.6 Å²	144.6	91%	0.905	79%	0.785	S	S	*	*				81.8	117.2	92.7	-123.3	24.9	0	0	0	116.4
287	L	25.4	Very low	27.3	Very low	146 Å²	146	145.7 Å²	145.7	76%	0.764	78%	0.784	S	S	*	*			trans	57.2	125.7	141.3	-70.7	162.9	0	0	0	121.4
288	G	27	Very low	27.4	Very low	61 Å²	61	139.2 Å²	139.2	63%	0.629	77%	0.774	S	S	*	*				133.1	97.4	126.5	0	0	0	0	0	118.3
289	T	29.4	Very low	27.4	Very low	145 Å²	145	136.5 Å²	136.5	89%	0.89	77%	0.767	S	S	*	*			trans	62.2	110.9	134.4	49.3	0	0	0	0	121.5
290	V	27	Very low	27.3	Very low	134 Å²	134	136.2 Å²	136.2	81%	0.812	76%	0.76	S	S	*	*			trans	-58.7	165.2	151.3	-148.9	0	0	0	0	108.8
291	P	32.2	Very low	27.4	Very low	100 Å²	100	134.5 Å²	134.5	65%	0.649	75%	0.754	S	S	*	*			cis	-156.7	178.4	28.7	42	-17.4	0	0	0	121.3
292	T	28.5	Very low	27.5	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	76%	0.76	S	S	*	*			trans	73.4	116.8	145	48.9	0	0	0	0	122.7
293	G	29	Very low	27.4	Very low	69 Å²	69	132.9 Å²	132.9	71%	0.711	77%	0.768	S	S	*	*				127.6	121.8	113.2	0	0	0	0	0	119.4
294	K	30.6	Very low	27.5	Very low	207 Å²	207	131.7 Å²	131.7	90%	0.9	77%	0.77	S	S	*	*			trans	70	147.4	145.6	-65.1	178.5	-176.2	176	0	117.3
295	R	26.1	Very low	27.5	Very low	213 Å²	213	130 Å²	130	80%	0.804	76%	0.764	S	S	*	*			cis	-175.6	144.8	-14.2	-138.4	179.2	174.1	-162.9	2.6	105.2
296	L	27.5	Very low	27.6	Very low	122 Å²	122	134.3 Å²	134.3	64%	0.639	77%	0.769	S	S	*	*			trans	66.5	119	145	-74.6	153.8	0	0	0	123.2
297	N	25.7	Very low	27.6	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	77%	0.77	S	S	*	*				42.8	128.9	127.2	-60.3	3.4	0	0	0	121.6
298	S	28.2	Very low	27.8	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	77%	0.77	S	S	*	*				162.6	134.2	98	-163.9	0	0	0	0	113.5
299	M	27.7	Very low	27.7	Very low	142 Å²	142	138.1 Å²	138.1	70%	0.7	79%	0.786	S	S	*	*			trans	64.2	123.1	141.9	-74.4	165.3	117.5	0	0	123.1
300	E	25.7	Very low	27.6	Very low	162 Å²	162	141 Å²	141	76%	0.757	79%	0.786	S	S	*	*			trans	63	147	130.8	-64.7	173.8	158.7	0	0	119.2
301	S	26.7	Very low	27.7	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	79%	0.786	S	S	*	*			cis	-173	167	-15.2	57	0	0	0	0	106.6
302	T	28.8	Very low	27.5	Very low	131 Å²	131	140.2 Å²	140.2	80%	0.804	79%	0.789	S	S	*	*			trans	89.5	103.6	159.7	67.7	0	0	0	0	121.1
303	C	23.1	Very low	27.6	Very low	139 Å²	139	138.5 Å²	138.5	94%	0.939	78%	0.78	S	S	*	*				55.1	120	124.4	-150.7	0	0	0	0	121.3
304	G	28.1	Very low	28	Very low	64 Å²	64	143 Å²	143	66%	0.66	79%	0.787	S	S	*	*			trans	158.9	96.5	155.9	0	0	0	0	0	113.9
305	S	27	Very low	28	Very low	109 Å²	109	140 Å²	140	76%	0.762	77%	0.774	S	S	*	*			trans	34.8	113.3	147.5	-50.8	0	0	0	0	120
306	D	30.2	Very low	28.5	Very low	165 Å²	165	132.8 Å²	132.8	88%	0.882	75%	0.754	S	S	*	*				174.8	140.7	108.4	-92.7	-31.9	0	0	0	113.6	A308	D306-A308 PolarHBondContact O-N 2.92Å
307	K	26.2	Very low	28.8	Very low	214 Å²	214	130.5 Å²	130.5	93%	0.93	75%	0.746	S	S	*	*			trans	-70.2	114	178.7	-72.2	177.7	175.6	172.9	0	110.7
308	A	28.6	Very low	29.4	Very low	91 Å²	91	127.3 Å²	127.3	75%	0.752	73%	0.732	S	S	*	*			trans	-143.7	102.8	154.6	0	0	0	0	0	109.7	D306 K310	D306-A308 PolarHBondContact O-N 2.92Å; A308-K310 PolarHBondContact O-N 2.77Å
309	K	26.3	Very low	29.8	Very low	222 Å²	222	128.8 Å²	128.8	97%	0.965	73%	0.732	S	S	*	*			trans	-59	101	167.5	-82.4	177.5	171.8	179.3	0	108.4
310	K	27.5	Very low	30.5	Very low	204 Å²	204	127.9 Å²	127.9	89%	0.887	73%	0.726	S	S	*	*			trans	-92.4	110.9	168.8	-131.5	174.7	-176.4	179.3	0	107.3	A308 S312	A308-K310 PolarHBondContact O-N 2.77Å; K310-S312 PolarHBondContact O-N 2.77Å
311	S	27.5	Very low	31	Very low	117 Å²	117	122.7 Å²	122.7	82%	0.818	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-57.7	120.8	175.6	48.7	0	0	0	0	110.8
312	S	28.8	Very low	31.5	Very low	101 Å²	101	120.1 Å²	120.1	71%	0.706	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-71.4	142.7	164	46.7	0	0	0	0	109.8	K310	K310-S312 PolarHBondContact O-N 2.77Å
313	P	29.5	Very low	31.7	Very low	101 Å²	101	118.7 Å²	118.7	66%	0.656	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-61.2	145	176.7	25.8	-31.3	0	0	0	110.6	F315	P313-F315 PolarHBondContact O-N 2.88Å; P313-F315 VanDerWaalsContact O-N 3.13Å
314	L	37.5	Very low	32	Very low	163 Å²	163	121 Å²	121	85%	0.853	66%	0.663	S	S	*	*	S	Bend	trans	-71.6	-1.1	-172.7	-144.2	85.7	0	0	0	114
315	F	30.4	Very low	32.1	Very low	145 Å²	145	126.8 Å²	126.8	64%	0.636	67%	0.673	S	S	*	*	S	Bend	trans	-136.2	134	-179.9	-66.2	-80.6	0	0	0	109.5	P313	P313-F315 PolarHBondContact O-N 2.88Å; P313-F315 VanDerWaalsContact O-N 3.13Å
316	P	37.2	Very low	32.2	Very low	60 Å²	60	133.2 Å²	133.2	39%	0.39	68%	0.68	S	S	.	*			trans	-63.2	139.8	171.1	22.8	-27.1	0	0	0	109.8	E320 M321	P316-E320 WeakPolarHBondContact CA-OE2 3.28Å; P316-E320 HydrophobicContact CB-CB 3.81Å; P316-M321 HydrophobicContact CB-CG 4.08Å; P316-M321 HydrophobicContact CG-CE 3.8Å; P316-M321 HydrophobicContact CG-CG 3.79Å
317	T	34.3	Very low	32.1	Very low	74 Å²	74	131.7 Å²	131.7	45%	0.454	68%	0.679	S	S	.	*			trans	-62.4	158.2	171.6	47.6	0	0	0	0	110.8	D319 E320 M321	T317-D319 PolarHBondContact O-N 3.47Å; T317-D319 VanDerWaalsContact O-N 3.16Å; T317-E320 PolarHBondContact N-OE2 3.37Å; T317-E320 CarbonylContact O-C 3.49Å; T317-E320 WeakPolarHBondContact O-CA 3.39Å; T317-E320 WeakPolarHBondContact O-CB 3.28Å; T317-E320 PolarHBondContact O-N 2.88Å; T317-E320 VanDerWaalsContact OG1-CG 3.22Å; T317-E320 WeakPolarHBondContact OG1-CG 3.49Å; T317-E320 PolarHBondContact OG1-OE2 3.34Å; T317-M321 PolarHBondContact O-N 2.97Å
318	V	38	Very low	32.2	Very low	81 Å²	81	125.4 Å²	125.4	49%	0.491	68%	0.675	S	S	.	*	H	α-helix	trans	-51	-41.9	179.1	175.6	0	0	0	0	110.9	E320 M321 F322	V318-E320 VanDerWaalsContact C-N 3.32Å; V318-E320 PolarHBondContact O-N 2.9Å; V318-M321 PolarHBondContact O-N 3.42Å; V318-F322 HydrophobicContact CG1-CD2 3.84Å; V318-F322 HydrophobicContact CG1-CE2 3.89Å; V318-F322 WeakPolarHBondContact O-CD2 3.41Å; V318-F322 PolarHBondContact O-N 2.9Å; V318-F322 VanDerWaalsContact O-N 3.17Å
319	D	35.8	Very low	32.3	Very low	128 Å²	128	124.8 Å²	124.8	68%	0.684	68%	0.677	S	S	*	*	H	α-helix	trans	-67.5	-29	177.1	-63.5	-43	0	0	0	113.4	T317 F322	T317-D319 PolarHBondContact O-N 3.47Å; T317-D319 VanDerWaalsContact O-N 3.16Å; D319-F322 CarbonylContact O-C 3.59Å
320	E	43	Very low	32.3	Very low	124 Å²	124	118.6 Å²	118.6	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-81.2	-24.3	173.2	-71.3	168.9	153.3	0	0	112.9	P316 T317 V318 F322	P316-E320 WeakPolarHBondContact CA-OE2 3.28Å; P316-E320 HydrophobicContact CB-CB 3.81Å; T317-E320 PolarHBondContact N-OE2 3.37Å; T317-E320 CarbonylContact O-C 3.49Å; T317-E320 WeakPolarHBondContact O-CA 3.39Å; T317-E320 WeakPolarHBondContact O-CB 3.28Å; T317-E320 PolarHBondContact O-N 2.88Å; T317-E320 VanDerWaalsContact OG1-CG 3.22Å; T317-E320 WeakPolarHBondContact OG1-CG 3.49Å; T317-E320 PolarHBondContact OG1-OE2 3.34Å; V318-E320 VanDerWaalsContact C-N 3.32Å; V318-E320 PolarHBondContact O-N 2.9Å; E320-F322 VanDerWaalsContact C-N 3.26Å
321	M	35.7	Very low	32.6	Very low	53 Å²	53	113.4 Å²	113.4	26%	0.261	66%	0.656	S	S	.	*	H	α-helix	trans	-73.9	-19.5	169.3	-72	-173.4	174.5	0	0	112.1	F127 P316 T317 V318 P323	F127-M321 WeakPolarHBondContact CE1-O 3.34Å; P316-M321 HydrophobicContact CB-CG 4.08Å; P316-M321 HydrophobicContact CG-CE 3.8Å; P316-M321 HydrophobicContact CG-CG 3.79Å; T317-M321 PolarHBondContact O-N 2.97Å; V318-M321 PolarHBondContact O-N 3.42Å; M321-P323 VanDerWaalsContact C-CD 3.48Å
322	F	38.4	Very low	33	Very low	36 Å²	36	114 Å²	114	16%	0.158	66%	0.655	C	S	.	*	S	Bend	trans	-125.9	64	-179.6	-58.7	-69.2	0	0	0	112.5	V318 D319 E320 Y324	V318-F322 HydrophobicContact CG1-CD2 3.84Å; V318-F322 HydrophobicContact CG1-CE2 3.89Å; V318-F322 WeakPolarHBondContact O-CD2 3.41Å; V318-F322 PolarHBondContact O-N 2.9Å; V318-F322 VanDerWaalsContact O-N 3.17Å; D319-F322 CarbonylContact O-C 3.59Å; E320-F322 VanDerWaalsContact C-N 3.26Å; F322-Y324 VanDerWaalsContact O-CD2 3.24Å; F322-Y324 WeakPolarHBondContact O-CD2 3.46Å; F322-Y324 PolarHBondContact O-N 3.05Å
323	P	31.9	Very low	34.2	Very low	101 Å²	101	115.1 Å²	115.1	66%	0.656	65%	0.649	S	S	*	*			trans	-66.3	111.9	172.1	26.5	-29.7	0	0	0	109.4	M321 E325	M321-P323 VanDerWaalsContact C-CD 3.48Å; P323-E325 PolarHBondContact O-N 2.77Å; P323-E325 VanDerWaalsContact O-N 3.14Å
324	Y	30.8	Very low	35.7	Very low	189 Å²	189	114.6 Å²	114.6	74%	0.741	64%	0.64	S	S	*	*			trans	-73.8	97.6	-179.2	-74.3	-92.2	0	0	0	110.9	F322	F322-Y324 VanDerWaalsContact O-CD2 3.24Å; F322-Y324 WeakPolarHBondContact O-CD2 3.46Å; F322-Y324 PolarHBondContact O-N 3.05Å
325	E	29.6	Very low	37.4	Very low	184 Å²	184	108.1 Å²	108.1	86%	0.86	61%	0.608	S	S	*	*			trans	-136.5	104.5	162.9	-69.5	-163.5	174.4	0	0	111.5	P323	P323-E325 PolarHBondContact O-N 2.77Å; P323-E325 VanDerWaalsContact O-N 3.14Å
326	R	29	Very low	39.6	Very low	245 Å²	245	102.1 Å²	102.1	93%	0.925	58%	0.581	S	S	*	*			trans	-165.4	144.9	144.2	-108.2	-166.8	-80.6	-173.2	-4	112.1
327	P	28.2	Very low	41.4	Very low	133 Å²	133	99.7 Å²	99.7	86%	0.864	57%	0.565	S	S	*	*	S	Bend	trans	-81.1	123.5	-177.7	31.2	-29	0	0	0	111.3
328	G	27.8	Very low	43.6	Very low	82 Å²	82	96.2 Å²	96.2	85%	0.845	54%	0.543	S	S	*	.	S	Bend	trans	109.4	89.1	162.3	0	0	0	0	0	116
329	G	30.5	Very low	45.5	Very low	77 Å²	77	93.6 Å²	93.6	79%	0.794	53%	0.526	S	S	*	.			trans	107.9	104.8	164.9	0	0	0	0	0	114.2	C331	G329-C331 PolarHBondContact O-N 3.4Å
330	A	27.8	Very low	47.6	Very low	93 Å²	93	87.5 Å²	87.5	77%	0.769	49%	0.493	S	S	*	.			trans	-70.5	106.8	-179.2	0	0	0	0	0	111.8	T332	A330-T332 HydrophobicContact CB-CG2 4.12Å; A330-T332 PolarHBondContact O-N 2.71Å
331	C	32.2	Very low	49.1	Very low	95 Å²	95	85.3 Å²	85.3	64%	0.642	48%	0.482	S	S	*	.			trans	-82.7	100.5	159.7	-171.3	0	0	0	0	107.9	G329 Q333	G329-C331 PolarHBondContact O-N 3.4Å; C331-Q333 VanDerWaalsContact C-N 3.26Å; C331-Q333 PolarHBondContact O-N 3.44Å
332	T	37.4	Very low	51.1	Low	128 Å²	128	82.8 Å²	82.8	79%	0.785	47%	0.469	S	S	*	.			trans	-85.6	14.4	-174.8	55	0	0	0	0	113.6	A330	A330-T332 HydrophobicContact CB-CG2 4.12Å; A330-T332 PolarHBondContact O-N 2.71Å
333	Q	53	Low	52.8	Low	125 Å²	125	84 Å²	84	58%	0.584	48%	0.478	S	S	*	.			trans	-120	121.2	-172.2	-59.3	-165.1	7	0	0	112.1	C331 K371	C331-Q333 VanDerWaalsContact C-N 3.26Å; C331-Q333 PolarHBondContact O-N 3.44Å; Q333-K371 HydrophobicContact CB-CD 4.09Å
334	L	61	Low	54.7	Low	90 Å²	90	83.3 Å²	83.3	47%	0.471	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-56.2	142.8	172.5	-70.8	166.5	0	0	0	111	K371	L334-K371 VanDerWaalsContact O-CD 3.27Å; L334-K371 WeakPolarHBondContact O-CD 3.48Å; L334-K371 WeakPolarHBondContact O-CE 3.34Å; L334-K371 PolarHBondContact O-NZ 2.77Å
335	P	73.4	Confident	56.7	Low	27 Å²	27	82.8 Å²	82.8	18%	0.175	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-67.3	163.7	176.5	30.9	-35.8	0	0	0	111.4	M369	P335-M369 WeakPolarHBondContact CB-O 3.29Å
336	F	77.3	Confident	58.8	Low	19 Å²	19	75.9 Å²	75.9	8%	0.083	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	159.6	163.6	-68.4	-33	0	0	0	111.2	L172 F173 K174 Y190 S368 M369 K371 A374	L172-F336 HydrophobicContact CD1-CB 3.64Å; L172-F336 HydrophobicContact CD2-CB 4.18Å; L172-F336 HydrophobicContact CD2-CD2 3.67Å; L172-F336 HydrophobicContact CD2-CE2 4.37Å; L172-F336 HydrophobicContact CD2-CG 4.23Å; L172-F336 HydrophobicContact CG-CB 3.8Å; L172-F336 HydrophobicContact CG-CD2 4.16Å; L172-F336 HydrophobicContact CG-CG 4.22Å; F173-F336 CarbonylContact O-C 3.51Å; F173-F336 WeakPolarHBondContact O-CA 3.24Å; K174-F336 HydrophobicContact CB-CD1 4.49Å; K174-F336 HydrophobicContact CB-CE1 4.3Å; K174-F336 HydrophobicContact CG-CD1 4.38Å; K174-F336 HydrophobicContact CG-CE1 3.88Å; Y190-F336 HydrophobicContact CD2-CD2 4.44Å; Y190-F336 HydrophobicContact CD2-CE1 4.49Å; Y190-F336 AromaticContact CD2-CE2 3.58Å; Y190-F336 HydrophobicContact CD2-CE2 3.58Å; Y190-F336 AromaticContact CD2-CZ 3.6Å; Y190-F336 HydrophobicContact CD2-CZ 3.6Å; Y190-F336 AromaticContact CE2-CE2 3.72Å; Y190-F336 HydrophobicContact CE2-CE2 3.72Å; Y190-F336 AromaticContact CE2-CZ 3.87Å; Y190-F336 HydrophobicContact CE2-CZ 3.87Å; Y190-F336 HydrophobicContact CG-CE2 4.31Å; F336-S368 CarbonylContact O-C 3.57Å; F336-S368 WeakPolarHBondContact O-CA 3.3Å; F336-M369 PolarHBondContact N-O 2.92Å; F336-M369 PolarHBondContact O-N 3.43Å; F336-K371 HydrophobicContact CD1-CD 4.49Å; F336-K371 HydrophobicContact CD1-CG 3.91Å; F336-K371 HydrophobicContact CD2-CB 4.3Å; F336-K371 HydrophobicContact CD2-CG 3.85Å; F336-K371 HydrophobicContact CE1-CD 4.1Å; F336-K371 HydrophobicContact CE1-CG 3.84Å; F336-K371 HydrophobicContact CE2-CB 4.11Å; F336-K371 HydrophobicContact CE2-CG 3.78Å; F336-K371 HydrophobicContact CG-CG 3.94Å; F336-K371 HydrophobicContact CZ-CB 4.44Å; F336-K371 HydrophobicContact CZ-CD 4.17Å; F336-K371 HydrophobicContact CZ-CG 3.79Å; F336-A374 HydrophobicContact CD2-CB 3.74Å; F336-A374 HydrophobicContact CE2-CB 3.75Å
337	F	74	Confident	60.9	Low	10 Å²	10	65 Å²	65	4%	0.044	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.9	-179.5	-63.5	-91.1	0	0	0	109.4	F121 L172 F173 N175 A176 I179 F367	F121-F337 AromaticContact CE2-CD1 3.69Å; F121-F337 HydrophobicContact CE2-CD1 3.69Å; F121-F337 AromaticContact CE2-CE1 3.87Å; F121-F337 HydrophobicContact CE2-CE1 3.87Å; F121-F337 AromaticContact CZ-CD1 3.92Å; F121-F337 HydrophobicContact CZ-CD1 3.92Å; F121-F337 AromaticContact CZ-CE1 3.57Å; F121-F337 HydrophobicContact CZ-CE1 3.57Å; L172-F337 CarbonylContact C-O 3.48Å; L172-F337 WeakPolarHBondContact CA-O 3.21Å; F173-F337 HydrophobicContact CB-CB 4.23Å; F173-F337 PolarHBondContact N-O 2.87Å; F173-F337 PolarHBondContact O-N 3.26Å; N175-F337 VanDerWaalsContact C-CD2 3.42Å; A176-F337 HydrophobicContact CB-CE1 3.85Å; A176-F337 HydrophobicContact CB-CE2 3.78Å; A176-F337 HydrophobicContact CB-CZ 3.4Å; I179-F337 HydrophobicContact CD1-CD1 3.62Å; I179-F337 HydrophobicContact CD1-CE1 3.88Å; I179-F337 HydrophobicContact CG1-CD1 4.32Å; F337-F367 CarbonylContact C-O 3.35Å; F337-F367 WeakPolarHBondContact CA-O 3.35Å
338	L	80.5	Confident	62.9	Low	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	178.1	178.6	75.9	0	0	0	109.7	L132 I170 A171 L172 I340 W366 F367 M369 F377	L132-L338 HydrophobicContact CD2-CD2 3.6Å; I170-L338 HydrophobicContact CG2-CD1 3.53Å; A171-L338 CarbonylContact O-C 3.55Å; A171-L338 WeakPolarHBondContact O-CA 3.37Å; L172-L338 HydrophobicContact CD1-CB 3.96Å; L172-L338 HydrophobicContact CD1-CD1 4.14Å; L338-I340 HydrophobicContact CD2-CD1 3.85Å; L338-I340 HydrophobicContact CD2-CG1 3.97Å; L338-I340 HydrophobicContact CG-CD1 4.49Å; L338-I340 HydrophobicContact CG-CG1 4.06Å; L338-W366 CarbonylContact O-C 3.48Å; L338-W366 WeakPolarHBondContact O-CA 3.45Å; L338-F367 HydrophobicContact CB-CB 4.21Å; L338-F367 HydrophobicContact CD2-CB 4.43Å; L338-F367 HydrophobicContact CD2-CD2 4.06Å; L338-F367 PolarHBondContact N-O 3.46Å; L338-F367 PolarHBondContact O-N 2.94Å; L338-M369 HydrophobicContact CB-CE 4.4Å; L338-M369 HydrophobicContact CD1-CE 4.26Å; L338-M369 HydrophobicContact CD2-CE 3.78Å; L338-M369 HydrophobicContact CG-CE 4.37Å; L338-F377 HydrophobicContact CD1-CD1 4.4Å; L338-F377 HydrophobicContact CD1-CE1 3.51Å; L338-F377 HydrophobicContact CD1-CZ 3.88Å; L338-F377 HydrophobicContact CD2-CZ 4.18Å
339	H	79.2	Confident	64.9	Low	26 Å²	26	67.5 Å²	67.5	12%	0.12	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.7	171.6	-179.2	-127.1	0	0	0	109.6	I170 A171 F173 E364 F365 W366	I170-H339 VanDerWaalsContact CA-O 3.31Å; I170-H339 WeakPolarHBondContact CA-O 3.08Å; A171-H339 HydrophobicContact CB-CB 4.35Å; A171-H339 PolarHBondContact N-O 3.21Å; A171-H339 PolarHBondContact O-N 3Å; F173-H339 HydrophobicContact CD2-CB 4.43Å; F173-H339 HydrophobicContact CE2-CB 3.84Å; H339-E364 IonicContact CD2-OE1 3.36Å; H339-E364 IonicContact CE1-OE1 3.16Å; H339-E364 VanDerWaalsContact NE2-CD 3.32Å; H339-E364 WeakPolarHBondContact NE2-CG 3.42Å; H339-E364 IonicContact NE2-OE1 3.32Å; H339-E364 PolarHBondContact NE2-OE1 3.29Å; H339-F365 WeakPolarHBondContact CA-O 3.5Å; H339-W366 HydrophobicContact CB-CD2 4.31Å; H339-W366 HydrophobicContact CB-CE3 3.97Å; H339-W366 HydrophobicContact CB-CH2 3.91Å; H339-W366 HydrophobicContact CB-CZ2 4.22Å; H339-W366 HydrophobicContact CB-CZ3 3.77Å; H339-W366 AromaticContact CD2-CD2 3.66Å; H339-W366 AromaticContact CD2-CE2 3.16Å; H339-W366 AromaticContact CD2-CH2 3.88Å; H339-W366 AromaticContact CD2-CZ2 3.29Å; H339-W366 WeakPolarHBondContact CD2-CZ2 3.45Å; H339-W366 AromaticContact CD2-NE1 3.4Å; H339-W366 PolarHBondContact CD2-NE1 3.16Å; H339-W366 AromaticContact CG-CH2 3.93Å; H339-W366 AromaticContact CG-CZ2 3.8Å; H339-W366 AromaticContact NE2-CE2 3.7Å; H339-W366 AromaticContact NE2-CZ2 3.61Å; H339-W366 AromaticContact NE2-NE1 3.69Å
340	I	79.4	Confident	66.7	Low	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.4	174.4	-54.8	-177.6	0	0	0	108.1	I139 M160 L338 L342 E364 F365 F367	I139-I340 HydrophobicContact CD1-CD1 4.39Å; I139-I340 HydrophobicContact CG2-CD1 4.09Å; M160-I340 HydrophobicContact CE-CD1 4.41Å; L338-I340 HydrophobicContact CD2-CD1 3.85Å; L338-I340 HydrophobicContact CD2-CG1 3.97Å; L338-I340 HydrophobicContact CG-CD1 4.49Å; L338-I340 HydrophobicContact CG-CG1 4.06Å; I340-L342 HydrophobicContact CG2-CD2 3.76Å; I340-L342 HydrophobicContact CG2-CG 4.39Å; I340-E364 WeakPolarHBondContact O-CA 3.34Å; I340-F365 PolarHBondContact N-O 3.32Å; I340-F365 PolarHBondContact O-N 2.74Å; I340-F367 HydrophobicContact CD1-CD2 4.31Å; I340-F367 HydrophobicContact CD1-CE2 3.95Å; I340-F367 HydrophobicContact CG1-CE2 4.42Å
341	F	75.4	Confident	68.4	Low	78 Å²	78	63.8 Å²	63.8	34%	0.342	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	175.8	-168	-110.9	0	0	0	110.5	V168 S169 N363 E364	V168-F341 HydrophobicContact CB-CD1 3.81Å; V168-F341 HydrophobicContact CB-CE1 4.48Å; V168-F341 HydrophobicContact CG1-CD1 3.88Å; V168-F341 HydrophobicContact CG1-CE1 4.35Å; V168-F341 HydrophobicContact CG2-CD1 4.31Å; V168-F341 PolarHBondContact N-O 2.93Å; S169-F341 PolarHBondContact N-O 3.12Å; S169-F341 PolarHBondContact O-N 3.05Å; S169-F341 WeakPolarHBondContact OG-CB 3.33Å; F341-N363 CarbonylContact C-O 3.59Å; F341-N363 WeakPolarHBondContact CA-O 3.41Å; F341-N363 WeakPolarHBondContact CD2-O 3.39Å; F341-E364 HydrophobicContact CD2-CB 4.19Å; F341-E364 HydrophobicContact CD2-CG 4.37Å
342	L	76.2	Confident	69.7	Low	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.7	-173	-55	-179	0	0	0	111.6	A162 A166 I167 I340 E344 M347 N363 F365	A162-L342 HydrophobicContact CB-CD1 3.66Å; A162-L342 HydrophobicContact CB-CD2 3.7Å; A162-L342 HydrophobicContact CB-CG 4.36Å; A166-L342 CarbonylContact O-C 3.46Å; A166-L342 WeakPolarHBondContact O-CA 3.27Å; I167-L342 HydrophobicContact CB-CD2 4.45Å; I167-L342 HydrophobicContact CG1-CD2 3.83Å; I340-L342 HydrophobicContact CG2-CD2 3.76Å; I340-L342 HydrophobicContact CG2-CG 4.39Å; L342-E344 PolarHBondContact O-N 2.77Å; L342-M347 HydrophobicContact CB-CG 4.05Å; L342-M347 HydrophobicContact CD1-CE 3.95Å; L342-M347 HydrophobicContact CD1-CG 4.23Å; L342-M347 HydrophobicContact CD1-SD 3.93Å; L342-N363 PolarHBondContact N-O 2.84Å; L342-F365 HydrophobicContact CD1-CD2 4.11Å; L342-F365 HydrophobicContact CD1-CE2 3.71Å
343	N	74	Confident	70.6	Confident	63 Å²	63	64.9 Å²	64.9	34%	0.337	31%	0.314	S	S	.	.			trans	-82	108.8	174	-171.2	-32.2	0	0	0	109.2	A166 V168 R345 I346 M347	A166-N343 PolarHBondContact O-N 2.61Å; V168-N343 HydrophobicContact CG2-CB 3.64Å; N343-R345 PolarHBondContact O-N 2.79Å; N343-R345 VanDerWaalsContact O-N 3.09Å; N343-R345 WeakPolarHBondContact OD1-CB 3.3Å; N343-R345 PolarHBondContact OD1-N 3.41Å; N343-R345 VanDerWaalsContact OD1-N 3.08Å; N343-I346 HydrophobicContact CB-CB 4.32Å; N343-I346 HydrophobicContact CB-CD1 4.03Å; N343-I346 HydrophobicContact CB-CG1 4.15Å; N343-I346 PolarHBondContact O-N 3.14Å; N343-M347 WeakPolarHBondContact O-CG 3.25Å; N343-M347 PolarHBondContact O-N 3.11Å
344	E	73.2	Confident	70.6	Confident	86 Å²	86	60.4 Å²	60.4	40%	0.402	29%	0.294	S	S	.	.	H	α-helix	trans	-56.7	-31.9	-176.5	-22.9	-166.1	146.2	0	0	113.1	L342 R348 N363	L342-E344 PolarHBondContact O-N 2.77Å; E344-R348 WeakPolarHBondContact O-CG 3.48Å; E344-R348 PolarHBondContact O-N 2.83Å; E344-R348 IonicContact OE2-NH2 3.79Å; E344-R348 PolarHBondContact OE2-NH2 3.34Å; E344-N363 HydrophobicContact CG-CB 4.02Å; E344-N363 WeakPolarHBondContact CG-ND2 3.37Å; E344-N363 PolarHBondContact OE1-ND2 2.77Å
345	R	72.8	Confident	70.2	Confident	177 Å²	177	58 Å²	58	67%	0.668	29%	0.291	S	S	*	.	H	α-helix	trans	-69.2	-47.8	-177.5	-176.2	177.6	177.1	170.4	2.5	111.1	N343 M347 R348 E349	N343-R345 PolarHBondContact O-N 2.79Å; N343-R345 VanDerWaalsContact O-N 3.09Å; N343-R345 WeakPolarHBondContact OD1-CB 3.3Å; N343-R345 PolarHBondContact OD1-N 3.41Å; N343-R345 VanDerWaalsContact OD1-N 3.08Å; R345-M347 VanDerWaalsContact C-N 3.3Å; R345-M347 PolarHBondContact O-N 2.85Å; R345-R348 PolarHBondContact O-N 2.67Å; R345-E349 WeakPolarHBondContact CG-OE1 3.36Å; R345-E349 IonicContact CZ-OE1 2.77Å; R345-E349 IonicContact NE-OE1 3.62Å; R345-E349 PolarHBondContact NE-OE1 3.06Å; R345-E349 IonicContact NH2-OE1 2.63Å; R345-E349 WeakPolarHBondContact O-CB 3.46Å; R345-E349 WeakPolarHBondContact O-CG 3.33Å; R345-E349 PolarHBondContact O-N 3.32Å
346	I	72.2	Confident	68.9	Low	40 Å²	40	62.4 Å²	62.4	21%	0.205	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-40	178.1	-59.1	176.5	0	0	0	109.8	A166 N343 R348 E349 K350	A166-I346 HydrophobicContact CB-CB 4.13Å; A166-I346 HydrophobicContact CB-CG2 3.79Å; N343-I346 HydrophobicContact CB-CB 4.32Å; N343-I346 HydrophobicContact CB-CD1 4.03Å; N343-I346 HydrophobicContact CB-CG1 4.15Å; N343-I346 PolarHBondContact O-N 3.14Å; I346-R348 PolarHBondContact O-N 3.25Å; I346-E349 PolarHBondContact O-N 2.94Å; I346-K350 HydrophobicContact CG2-CD 4.22Å; I346-K350 WeakPolarHBondContact O-CB 3.35Å; I346-K350 PolarHBondContact O-N 3.17Å
347	M	72.5	Confident	67.5	Low	17 Å²	17	63.5 Å²	63.5	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-42.8	176	-71.1	-61.3	-67.9	0	0	112	A162 A166 L342 N343 R345 A351	A162-M347 HydrophobicContact CB-SD 4.46Å; A166-M347 HydrophobicContact CB-CG 4.11Å; A166-M347 HydrophobicContact CB-SD 3.71Å; L342-M347 HydrophobicContact CB-CG 4.05Å; L342-M347 HydrophobicContact CD1-CE 3.95Å; L342-M347 HydrophobicContact CD1-CG 4.23Å; L342-M347 HydrophobicContact CD1-SD 3.93Å; N343-M347 WeakPolarHBondContact O-CG 3.25Å; N343-M347 PolarHBondContact O-N 3.11Å; R345-M347 VanDerWaalsContact C-N 3.3Å; R345-M347 PolarHBondContact O-N 2.85Å; M347-A351 WeakPolarHBondContact O-CA 3.33Å; M347-A351 VanDerWaalsContact O-CB 3.32Å; M347-A351 WeakPolarHBondContact O-CB 3.48Å; M347-A351 PolarHBondContact O-N 3.4Å
348	R	70.9	Confident	66.3	Low	147 Å²	147	63.7 Å²	63.7	56%	0.555	32%	0.319	S	S	*	.	H	α-helix	trans	-68.2	-42.1	175.5	-75.4	-177.6	-134.6	-179.6	3.9	113	E344 R345 I346 K350 A351 L361	E344-R348 WeakPolarHBondContact O-CG 3.48Å; E344-R348 PolarHBondContact O-N 2.83Å; E344-R348 IonicContact OE2-NH2 3.79Å; E344-R348 PolarHBondContact OE2-NH2 3.34Å; R345-R348 PolarHBondContact O-N 2.67Å; I346-R348 PolarHBondContact O-N 3.25Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 3.34Å; R348-A351 WeakPolarHBondContact O-CB 3.23Å; R348-A351 PolarHBondContact O-N 2.99Å; R348-L361 HydrophobicContact CG-CD2 4.1Å
349	E	71	Confident	64.8	Low	120 Å²	120	71.6 Å²	71.6	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-64.4	-36.6	179	-73.8	170.3	-175.9	0	0	111.4	R345 I346	R345-E349 WeakPolarHBondContact CG-OE1 3.36Å; R345-E349 IonicContact CZ-OE1 2.77Å; R345-E349 IonicContact NE-OE1 3.62Å; R345-E349 PolarHBondContact NE-OE1 3.06Å; R345-E349 IonicContact NH2-OE1 2.63Å; R345-E349 WeakPolarHBondContact O-CB 3.46Å; R345-E349 WeakPolarHBondContact O-CG 3.33Å; R345-E349 PolarHBondContact O-N 3.32Å; I346-E349 PolarHBondContact O-N 2.94Å
350	K	67.9	Low	63.6	Low	63 Å²	63	71.6 Å²	71.6	27%	0.274	35%	0.352	S	S	.	.	H	α-helix	trans	-90.8	-7.5	177.4	-68.2	-171.3	174.6	-176.2	0	114.1	P163 D165 I346 R348 D352 S353 L354	P163-K350 HydrophobicContact CB-CD 4.31Å; P163-K350 HydrophobicContact CG-CD 3.7Å; D165-K350 IonicContact OD2-NZ 3.8Å; D165-K350 PolarHBondContact OD2-NZ 2.92Å; I346-K350 HydrophobicContact CG2-CD 4.22Å; I346-K350 WeakPolarHBondContact O-CB 3.35Å; I346-K350 PolarHBondContact O-N 3.17Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 3.34Å; K350-D352 PolarHBondContact O-N 2.9Å; K350-S353 WeakPolarHBondContact CA-OG 3.37Å; K350-S353 PolarHBondContact O-N 2.75Å; K350-S353 PolarHBondContact O-OG 3.08Å; K350-L354 HydrophobicContact CB-CD1 3.63Å; K350-L354 WeakPolarHBondContact O-CD1 3.23Å; K350-L354 PolarHBondContact O-N 3.31Å
351	A	64	Low	62.4	Low	28 Å²	28	77.7 Å²	77.7	23%	0.231	38%	0.384	C	S	.	.	H	α-helix	trans	-57.7	-37.7	-178.6	0	0	0	0	0	112.6	M347 R348 S353 L354 G355	M347-A351 WeakPolarHBondContact O-CA 3.33Å; M347-A351 VanDerWaalsContact O-CB 3.32Å; M347-A351 WeakPolarHBondContact O-CB 3.48Å; M347-A351 PolarHBondContact O-N 3.4Å; R348-A351 WeakPolarHBondContact O-CB 3.23Å; R348-A351 PolarHBondContact O-N 2.99Å; A351-S353 VanDerWaalsContact C-N 3.29Å; A351-S353 PolarHBondContact O-N 2.91Å; A351-L354 PolarHBondContact O-N 2.78Å; A351-G355 PolarHBondContact O-N 3.22Å
352	D	58.3	Low	62	Low	155 Å²	155	77.6 Å²	77.6	83%	0.829	38%	0.383	S	S	*	.	H	α-helix	trans	-66.6	-32.5	177.6	-68.1	-23.5	0	0	0	112	K350	K350-D352 PolarHBondContact O-N 2.9Å
353	S	56.2	Low	61.9	Low	91 Å²	91	78.6 Å²	78.6	64%	0.636	39%	0.388	S	S	*	.	H	α-helix	trans	-82.2	-26.7	176.8	62.9	0	0	0	0	114	K350 A351	K350-S353 WeakPolarHBondContact CA-OG 3.37Å; K350-S353 PolarHBondContact O-N 2.75Å; K350-S353 PolarHBondContact O-OG 3.08Å; A351-S353 VanDerWaalsContact C-N 3.29Å; A351-S353 PolarHBondContact O-N 2.91Å
354	L	54.2	Low	62.1	Low	31 Å²	31	79.9 Å²	79.9	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-86.6	-4.8	179.5	-89.6	97.8	0	0	0	113.9	V161 K350 A351	V161-L354 HydrophobicContact CB-CD2 3.6Å; V161-L354 HydrophobicContact CG1-CD2 3.27Å; V161-L354 HydrophobicContact CG1-CG 4.48Å; V161-L354 WeakPolarHBondContact O-CD2 3.47Å; K350-L354 HydrophobicContact CB-CD1 3.63Å; K350-L354 WeakPolarHBondContact O-CD1 3.23Å; K350-L354 PolarHBondContact O-N 3.31Å; A351-L354 PolarHBondContact O-N 2.78Å
355	G	51.6	Low	62.6	Low	40 Å²	40	76.1 Å²	76.1	41%	0.412	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	62.8	-159.3	177.8	0	0	0	0	0	113.7	A351 L357 S358	A351-G355 PolarHBondContact O-N 3.22Å; G355-L357 PolarHBondContact O-N 2.79Å; G355-S358 PolarHBondContact O-N 2.92Å
356	E	47.1	Very low	63.2	Low	120 Å²	120	69.3 Å²	69.3	56%	0.561	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62	-11.5	-171.3	-56.5	-159.6	113.9	0	0	115.4	S358 R359	E356-S358 VanDerWaalsContact C-N 3.32Å; E356-S358 PolarHBondContact O-N 3.17Å; E356-R359 IonicContact OE1-CZ 2.65Å; E356-R359 VanDerWaalsContact OE1-CZ 3.28Å; E356-R359 IonicContact OE1-NH1 2.9Å; E356-R359 PolarHBondContact OE1-NH1 2.86Å; E356-R359 IonicContact OE1-NH2 3.02Å; E356-R359 PolarHBondContact OE1-NH2 2.91Å
357	L	47.6	Very low	63.9	Low	41 Å²	41	67.4 Å²	67.4	22%	0.215	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-74.9	-17.8	-179.8	-72.5	157.4	0	0	0	113.5	V161 G355 M497	V161-L357 HydrophobicContact CG2-CB 4Å; G355-L357 PolarHBondContact O-N 2.79Å; L357-M497 HydrophobicContact CD1-CE 4.38Å
358	S	48.8	Very low	64.4	Low	15 Å²	15	67 Å²	67	11%	0.105	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-100.5	30.9	-175.1	179.5	0	0	0	0	113.4	G355 E356	G355-S358 PolarHBondContact O-N 2.92Å; E356-S358 VanDerWaalsContact C-N 3.32Å; E356-S358 PolarHBondContact O-N 3.17Å
359	R	49.3	Very low	64.9	Low	166 Å²	166	60 Å²	60	63%	0.626	31%	0.312	S	S	*	.			trans	-88.5	-11.4	-175.7	-73.1	-175.2	-178.9	139.3	0.3	115.1	E356 L361	E356-R359 IonicContact OE1-CZ 2.65Å; E356-R359 VanDerWaalsContact OE1-CZ 3.28Å; E356-R359 IonicContact OE1-NH1 2.9Å; E356-R359 PolarHBondContact OE1-NH1 2.86Å; E356-R359 IonicContact OE1-NH2 3.02Å; E356-R359 PolarHBondContact OE1-NH2 2.91Å; R359-L361 PolarHBondContact O-N 2.87Å
360	S	52.6	Low	65.1	Low	26 Å²	26	56 Å²	56	18%	0.182	30%	0.296	C	S	.	.			trans	-73	95.4	165.1	-177.9	0	0	0	0	108.5	K362	S360-K362 PolarHBondContact O-N 2.81Å; S360-K362 WeakPolarHBondContact OG-CB 3.01Å; S360-K362 VanDerWaalsContact OG-CG 3.31Å; S360-K362 WeakPolarHBondContact OG-CG 3.48Å
361	L	54	Low	65.4	Low	128 Å²	128	55.9 Å²	55.9	67%	0.67	30%	0.296	S	S	*	.			trans	-64.6	11.3	169	-78.2	161.6	0	0	0	112.8	R348 R359 N363	R348-L361 HydrophobicContact CG-CD2 4.1Å; R359-L361 PolarHBondContact O-N 2.87Å; L361-N363 PolarHBondContact O-ND2 2.97Å; L361-N363 PolarHBondContact O-OD1 2.81Å
362	K	66.5	Low	65.9	Low	76 Å²	76	61 Å²	61	33%	0.33	32%	0.315	S	S	.	.			trans	-70.6	133.7	172.8	-63	-170.7	-179.8	-148.2	0	108.3	E123 S360 F365	E123-K362 WeakPolarHBondContact OE1-CE 3.39Å; E123-K362 IonicContact OE1-NZ 3.77Å; E123-K362 PolarHBondContact OE1-NZ 2.84Å; E123-K362 IonicContact OE2-NZ 2.76Å; S360-K362 PolarHBondContact O-N 2.81Å; S360-K362 WeakPolarHBondContact OG-CB 3.01Å; S360-K362 VanDerWaalsContact OG-CG 3.31Å; S360-K362 WeakPolarHBondContact OG-CG 3.48Å; K362-F365 HydrophobicContact CB-CE1 4.45Å; K362-F365 HydrophobicContact CB-CE2 4.34Å; K362-F365 HydrophobicContact CB-CZ 3.99Å; K362-F365 WeakPolarHBondContact O-CE2 3.27Å; K362-F365 WeakPolarHBondContact O-CZ 3.29Å
363	N	75.9	Confident	66.8	Low	21 Å²	21	55.6 Å²	55.6	11%	0.112	29%	0.285	C	S	.	.			trans	-105.6	6	-179.9	-51.4	-54.1	0	0	0	111	F341 L342 E344 L361	F341-N363 CarbonylContact C-O 3.59Å; F341-N363 WeakPolarHBondContact CA-O 3.41Å; F341-N363 WeakPolarHBondContact CD2-O 3.39Å; L342-N363 PolarHBondContact N-O 2.84Å; E344-N363 HydrophobicContact CG-CB 4.02Å; E344-N363 WeakPolarHBondContact CG-ND2 3.37Å; E344-N363 PolarHBondContact OE1-ND2 2.77Å; L361-N363 PolarHBondContact O-ND2 2.97Å; L361-N363 PolarHBondContact O-OD1 2.81Å
364	E	77.4	Confident	67.5	Low	90 Å²	90	51.3 Å²	51.3	42%	0.421	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	128.9	-174.7	-171.2	176.3	175.5	0	0	109.5	H339 I340 F341 W366	H339-E364 IonicContact CD2-OE1 3.36Å; H339-E364 IonicContact CE1-OE1 3.16Å; H339-E364 VanDerWaalsContact NE2-CD 3.32Å; H339-E364 WeakPolarHBondContact NE2-CG 3.42Å; H339-E364 IonicContact NE2-OE1 3.32Å; H339-E364 PolarHBondContact NE2-OE1 3.29Å; I340-E364 WeakPolarHBondContact O-CA 3.34Å; F341-E364 HydrophobicContact CD2-CB 4.19Å; F341-E364 HydrophobicContact CD2-CG 4.37Å; E364-W366 PolarHBondContact OE1-NE1 3.37Å
365	F	83.9	Confident	68.1	Low	6 Å²	6	53.3 Å²	53.3	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135	-178.8	-63.4	-95.6	0	0	0	110.6	M160 H339 I340 L342 K362 F367	M160-F365 HydrophobicContact CB-CD1 4.36Å; M160-F365 HydrophobicContact CB-CE1 3.91Å; M160-F365 HydrophobicContact CB-CZ 4.21Å; M160-F365 HydrophobicContact CG-CD1 4.17Å; M160-F365 HydrophobicContact CG-CD2 4.3Å; M160-F365 HydrophobicContact CG-CE1 3.78Å; M160-F365 HydrophobicContact CG-CE2 3.92Å; M160-F365 HydrophobicContact CG-CG 4.43Å; M160-F365 HydrophobicContact CG-CZ 3.65Å; M160-F365 HydrophobicContact SD-CB 4.02Å; M160-F365 HydrophobicContact SD-CD1 3.57Å; M160-F365 VanDerWaalsContact SD-CD1 3.57Å; M160-F365 HydrophobicContact SD-CD2 3.42Å; M160-F365 WeakPolarHBondContact SD-CD2 3.35Å; M160-F365 HydrophobicContact SD-CE1 3.81Å; M160-F365 HydrophobicContact SD-CE2 3.66Å; M160-F365 HydrophobicContact SD-CG 3.38Å; M160-F365 WeakPolarHBondContact SD-CG 3.41Å; M160-F365 HydrophobicContact SD-CZ 3.86Å; H339-F365 WeakPolarHBondContact CA-O 3.5Å; I340-F365 PolarHBondContact N-O 3.32Å; I340-F365 PolarHBondContact O-N 2.74Å; L342-F365 HydrophobicContact CD1-CD2 4.11Å; L342-F365 HydrophobicContact CD1-CE2 3.71Å; K362-F365 HydrophobicContact CB-CE1 4.45Å; K362-F365 HydrophobicContact CB-CE2 4.34Å; K362-F365 HydrophobicContact CB-CZ 3.99Å; K362-F365 WeakPolarHBondContact O-CE2 3.27Å; K362-F365 WeakPolarHBondContact O-CZ 3.29Å; F365-F367 HydrophobicContact CB-CD2 4.35Å; F365-F367 HydrophobicContact CB-CE2 3.49Å; F365-F367 VanDerWaalsContact CB-CE2 3.49Å; F365-F367 HydrophobicContact CB-CZ 3.91Å; F365-F367 HydrophobicContact CD1-CZ 4.4Å; F365-F367 HydrophobicContact CG-CE2 4.45Å; F365-F367 HydrophobicContact CG-CZ 4.48Å
366	W	85.2	Confident	69	Low	34 Å²	34	54.1 Å²	54.1	13%	0.129	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.3	178.4	-72.6	90.5	0	0	0	109.6	Q120 F121 F173 A178 I179 L338 H339 E364	Q120-W366 CarbonylContact C-O 3.47Å; Q120-W366 WeakPolarHBondContact CA-O 3.39Å; F121-W366 HydrophobicContact CB-CB 4.08Å; F121-W366 HydrophobicContact CD2-CB 4.01Å; F121-W366 HydrophobicContact CG-CB 4.5Å; F121-W366 PolarHBondContact N-O 3.18Å; F173-W366 HydrophobicContact CD2-CH2 4.1Å; F173-W366 AromaticContact CD2-CZ3 3.74Å; F173-W366 HydrophobicContact CD2-CZ3 3.74Å; F173-W366 AromaticContact CE2-CH2 3.73Å; F173-W366 HydrophobicContact CE2-CH2 3.73Å; F173-W366 AromaticContact CE2-CZ3 3.81Å; F173-W366 HydrophobicContact CE2-CZ3 3.81Å; F173-W366 HydrophobicContact CZ-CH2 4.48Å; A178-W366 HydrophobicContact CB-CH2 4.47Å; A178-W366 HydrophobicContact CB-CZ3 4.45Å; A178-W366 WeakPolarHBondContact O-CH2 2.85Å; I179-W366 HydrophobicContact CG1-CD2 4.21Å; I179-W366 HydrophobicContact CG1-CE3 3.78Å; I179-W366 HydrophobicContact CG1-CZ3 4.04Å; L338-W366 CarbonylContact O-C 3.48Å; L338-W366 WeakPolarHBondContact O-CA 3.45Å; H339-W366 HydrophobicContact CB-CD2 4.31Å; H339-W366 HydrophobicContact CB-CE3 3.97Å; H339-W366 HydrophobicContact CB-CH2 3.91Å; H339-W366 HydrophobicContact CB-CZ2 4.22Å; H339-W366 HydrophobicContact CB-CZ3 3.77Å; H339-W366 AromaticContact CD2-CD2 3.66Å; H339-W366 AromaticContact CD2-CE2 3.16Å; H339-W366 AromaticContact CD2-CH2 3.88Å; H339-W366 AromaticContact CD2-CZ2 3.29Å; H339-W366 WeakPolarHBondContact CD2-CZ2 3.45Å; H339-W366 AromaticContact CD2-NE1 3.4Å; H339-W366 PolarHBondContact CD2-NE1 3.16Å; H339-W366 AromaticContact CG-CH2 3.93Å; H339-W366 AromaticContact CG-CZ2 3.8Å; H339-W366 AromaticContact NE2-CE2 3.7Å; H339-W366 AromaticContact NE2-CZ2 3.61Å; H339-W366 AromaticContact NE2-NE1 3.69Å; E364-W366 PolarHBondContact OE1-NE1 3.37Å
367	F	87.4	Confident	70.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.3	178.8	-56.4	-87.6	0	0	0	111.3	V118 R119 Q120 L132 F141 M160 F337 L338 I340 F365	V118-F367 HydrophobicContact CB-CB 4.17Å; V118-F367 HydrophobicContact CB-CD1 4.35Å; V118-F367 HydrophobicContact CG2-CB 4.29Å; V118-F367 HydrophobicContact CG2-CD1 3.58Å; V118-F367 HydrophobicContact CG2-CE1 4.28Å; V118-F367 HydrophobicContact CG2-CG 4.22Å; R119-F367 CarbonylContact O-C 3.52Å; R119-F367 VanDerWaalsContact O-CA 3.27Å; R119-F367 WeakPolarHBondContact O-CA 3.2Å; Q120-F367 HydrophobicContact CB-CD1 3.71Å; Q120-F367 HydrophobicContact CB-CE1 3.61Å; Q120-F367 HydrophobicContact CG-CD1 4.09Å; Q120-F367 HydrophobicContact CG-CE1 3.68Å; Q120-F367 HydrophobicContact CG-CZ 4.29Å; L132-F367 HydrophobicContact CD1-CE1 4.38Å; L132-F367 HydrophobicContact CD1-CE2 4.26Å; L132-F367 HydrophobicContact CD1-CZ 4.1Å; F141-F367 HydrophobicContact CB-CE1 3.88Å; F141-F367 HydrophobicContact CB-CZ 4Å; F141-F367 HydrophobicContact CD1-CE1 4.06Å; F141-F367 HydrophobicContact CD2-CD1 4.11Å; F141-F367 AromaticContact CD2-CE1 3.53Å; F141-F367 HydrophobicContact CD2-CE1 3.53Å; F141-F367 HydrophobicContact CD2-CZ 4.44Å; F141-F367 HydrophobicContact CE2-CD1 4.31Å; F141-F367 HydrophobicContact CE2-CE1 4.03Å; F141-F367 AromaticContact CG-CE1 3.54Å; F141-F367 HydrophobicContact CG-CE1 3.54Å; F141-F367 HydrophobicContact CG-CZ 4.16Å; F141-F367 HydrophobicContact CZ-CE1 4.49Å; M160-F367 HydrophobicContact CE-CE2 4.19Å; M160-F367 HydrophobicContact CE-CZ 3.91Å; M160-F367 HydrophobicContact SD-CE2 4.42Å; M160-F367 HydrophobicContact SD-CZ 4.14Å; F337-F367 CarbonylContact C-O 3.35Å; F337-F367 WeakPolarHBondContact CA-O 3.35Å; L338-F367 HydrophobicContact CB-CB 4.21Å; L338-F367 HydrophobicContact CD2-CB 4.43Å; L338-F367 HydrophobicContact CD2-CD2 4.06Å; L338-F367 PolarHBondContact N-O 3.46Å; L338-F367 PolarHBondContact O-N 2.94Å; I340-F367 HydrophobicContact CD1-CD2 4.31Å; I340-F367 HydrophobicContact CD1-CE2 3.95Å; I340-F367 HydrophobicContact CG1-CE2 4.42Å; F365-F367 HydrophobicContact CB-CD2 4.35Å; F365-F367 HydrophobicContact CB-CE2 3.49Å; F365-F367 VanDerWaalsContact CB-CE2 3.49Å; F365-F367 HydrophobicContact CB-CZ 3.91Å; F365-F367 HydrophobicContact CD1-CZ 4.4Å; F365-F367 HydrophobicContact CG-CE2 4.45Å; F365-F367 HydrophobicContact CG-CZ 4.48Å
368	S	83.2	Confident	71.3	Confident	10 Å²	10	49.6 Å²	49.6	7%	0.07	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127	161.9	56.6	0	0	0	0	109.6	V118 R119 F336	V118-S368 VanDerWaalsContact CA-O 3.26Å; V118-S368 WeakPolarHBondContact CA-O 3.17Å; V118-S368 WeakPolarHBondContact CB-O 3.4Å; V118-S368 WeakPolarHBondContact CG1-O 3.4Å; R119-S368 VanDerWaalsContact CB-OG 3.22Å; R119-S368 WeakPolarHBondContact CB-OG 3.08Å; R119-S368 PolarHBondContact N-O 3.28Å; R119-S368 PolarHBondContact N-OG 2.76Å; R119-S368 PolarHBondContact O-N 2.92Å; R119-S368 PolarHBondContact O-OG 2.93Å; F336-S368 CarbonylContact O-C 3.57Å; F336-S368 WeakPolarHBondContact O-CA 3.3Å
369	M	80.5	Confident	72.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.3	179.9	-178.5	177.7	-69.5	0	0	110	I116 L172 P335 F336 L338 M373 F377	I116-M369 HydrophobicContact CD1-CE 3.6Å; I116-M369 HydrophobicContact CD1-SD 4.37Å; I116-M369 HydrophobicContact CG2-CG 4.22Å; L172-M369 HydrophobicContact CD1-CB 4.36Å; L172-M369 HydrophobicContact CD1-SD 4.25Å; P335-M369 WeakPolarHBondContact CB-O 3.29Å; F336-M369 PolarHBondContact N-O 2.92Å; F336-M369 PolarHBondContact O-N 3.43Å; L338-M369 HydrophobicContact CB-CE 4.4Å; L338-M369 HydrophobicContact CD1-CE 4.26Å; L338-M369 HydrophobicContact CD2-CE 3.78Å; L338-M369 HydrophobicContact CG-CE 4.37Å; M369-M373 HydrophobicContact CG-CB 4.13Å; M369-M373 HydrophobicContact SD-CB 4.28Å; M369-F377 HydrophobicContact CE-CB 4.29Å; M369-F377 HydrophobicContact CE-CD1 3.93Å; M369-F377 HydrophobicContact CE-CD2 4.05Å; M369-F377 HydrophobicContact CE-CE1 4.22Å; M369-F377 HydrophobicContact CE-CE2 4.34Å; M369-F377 HydrophobicContact CE-CG 3.83Å; M369-F377 HydrophobicContact CE-CZ 4.41Å; M369-F377 HydrophobicContact SD-CB 4.19Å; M369-F377 HydrophobicContact SD-CD1 4.32Å; M369-F377 HydrophobicContact SD-CG 4.27Å
370	P	76.4	Confident	73.1	Confident	36 Å²	36	44.8 Å²	44.8	23%	0.234	23%	0.233	C	C	.	.			trans	-58.9	138	170.6	-20.5	31.7	0	0	0	111.4	H117 E372 M373	H117-P370 WeakPolarHBondContact O-CD 3.49Å; P370-E372 HydrophobicContact CB-CG 4.11Å; P370-E372 WeakPolarHBondContact CB-OE1 3.41Å; P370-E372 WeakPolarHBondContact CB-OE2 3.45Å; P370-E372 PolarHBondContact O-N 2.83Å; P370-M373 HydrophobicContact CB-CG 4.32Å; P370-M373 PolarHBondContact O-N 2.8Å
371	K	73.8	Confident	73.9	Confident	60 Å²	60	44 Å²	44	26%	0.261	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-59.3	-37.4	-174.7	-78.6	179.5	163.3	147.4	0	112.6	Q333 L334 F336 M373 A374	Q333-K371 HydrophobicContact CB-CD 4.09Å; L334-K371 VanDerWaalsContact O-CD 3.27Å; L334-K371 WeakPolarHBondContact O-CD 3.48Å; L334-K371 WeakPolarHBondContact O-CE 3.34Å; L334-K371 PolarHBondContact O-NZ 2.77Å; F336-K371 HydrophobicContact CD1-CD 4.49Å; F336-K371 HydrophobicContact CD1-CG 3.91Å; F336-K371 HydrophobicContact CD2-CB 4.3Å; F336-K371 HydrophobicContact CD2-CG 3.85Å; F336-K371 HydrophobicContact CE1-CD 4.1Å; F336-K371 HydrophobicContact CE1-CG 3.84Å; F336-K371 HydrophobicContact CE2-CB 4.11Å; F336-K371 HydrophobicContact CE2-CG 3.78Å; F336-K371 HydrophobicContact CG-CG 3.94Å; F336-K371 HydrophobicContact CZ-CB 4.44Å; F336-K371 HydrophobicContact CZ-CD 4.17Å; F336-K371 HydrophobicContact CZ-CG 3.79Å; K371-M373 PolarHBondContact O-N 3.09Å; K371-A374 VanDerWaalsContact O-CB 3.25Å; K371-A374 WeakPolarHBondContact O-CB 3.15Å; K371-A374 PolarHBondContact O-N 2.91Å; K371-A374 VanDerWaalsContact O-N 3.13Å
372	E	74.2	Confident	74.4	Confident	135 Å²	135	39.8 Å²	39.8	63%	0.631	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-61.7	-19.1	177.4	60.7	-89.8	-152.7	0	0	113.8	P370 P376	P370-E372 HydrophobicContact CB-CG 4.11Å; P370-E372 WeakPolarHBondContact CB-OE1 3.41Å; P370-E372 WeakPolarHBondContact CB-OE2 3.45Å; P370-E372 PolarHBondContact O-N 2.83Å; E372-P376 WeakPolarHBondContact O-CD 3.41Å
373	M	77.6	Confident	74.2	Confident	42 Å²	42	43.9 Å²	43.9	21%	0.207	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-93.8	-7	178.9	-64.4	-61.6	-71.4	0	0	113.3	L114 I116 M369 P370 K371 P376 F377	L114-M373 HydrophobicContact CD1-CE 3.65Å; L114-M373 HydrophobicContact CD2-CE 4.26Å; L114-M373 HydrophobicContact CG-CE 3.91Å; I116-M373 HydrophobicContact CB-CE 4.39Å; I116-M373 HydrophobicContact CD1-CE 4.42Å; I116-M373 HydrophobicContact CG1-CE 3.75Å; I116-M373 HydrophobicContact CG2-CB 4.07Å; I116-M373 HydrophobicContact CG2-CE 4.38Å; I116-M373 HydrophobicContact CG2-CG 4.07Å; M369-M373 HydrophobicContact CG-CB 4.13Å; M369-M373 HydrophobicContact SD-CB 4.28Å; P370-M373 HydrophobicContact CB-CG 4.32Å; P370-M373 PolarHBondContact O-N 2.8Å; K371-M373 PolarHBondContact O-N 3.09Å; M373-P376 WeakPolarHBondContact O-CD 3.39Å; M373-F377 WeakPolarHBondContact O-CB 3.11Å; M373-F377 PolarHBondContact O-N 2.82Å
374	A	70.4	Confident	73.4	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-50.2	-178	0	0	0	0	0	113	L172 Y190 F336 K371 F377 Y378	L172-A374 HydrophobicContact CD2-CB 3.59Å; Y190-A374 HydrophobicContact CE1-CB 4.1Å; F336-A374 HydrophobicContact CD2-CB 3.74Å; F336-A374 HydrophobicContact CE2-CB 3.75Å; K371-A374 VanDerWaalsContact O-CB 3.25Å; K371-A374 WeakPolarHBondContact O-CB 3.15Å; K371-A374 PolarHBondContact O-N 2.91Å; K371-A374 VanDerWaalsContact O-N 3.13Å; A374-F377 PolarHBondContact O-N 2.84Å; A374-Y378 WeakPolarHBondContact O-CB 3.36Å; A374-Y378 PolarHBondContact O-N 2.51Å
375	D	66.4	Low	72.5	Confident	73 Å²	73	41.2 Å²	41.2	39%	0.39	21%	0.211	S	C	.	.	H	α-helix	trans	-68.3	-46.8	179.9	-66.9	-34.3	0	0	0	112.5	Y190 F377 Y378 A379	Y190-D375 VanDerWaalsContact OH-CG 3.29Å; Y190-D375 PolarHBondContact OH-OD1 3.02Å; Y190-D375 PolarHBondContact OH-OD2 3.26Å; D375-F377 VanDerWaalsContact C-N 3.27Å; D375-F377 PolarHBondContact O-N 3.3Å; D375-Y378 PolarHBondContact O-N 2.65Å; D375-A379 VanDerWaalsContact O-CB 3.32Å; D375-A379 WeakPolarHBondContact O-CB 3.41Å; D375-A379 PolarHBondContact O-N 3.01Å
376	P	69.8	Low	71.3	Confident	57 Å²	57	44.7 Å²	44.7	37%	0.37	23%	0.234	S	C	.	.	H	α-helix	trans	-56.2	-40.2	172	-26.6	33.9	0	0	0	113.3	L114 E372 M373 F380	L114-P376 HydrophobicContact CD1-CB 4.27Å; L114-P376 HydrophobicContact CD2-CB 4.34Å; E372-P376 WeakPolarHBondContact O-CD 3.41Å; M373-P376 WeakPolarHBondContact O-CD 3.39Å; P376-F380 VanDerWaalsContact O-CB 3.29Å; P376-F380 WeakPolarHBondContact O-CB 3.44Å; P376-F380 PolarHBondContact O-N 2.8Å
377	F	75.5	Confident	69.8	Low	6 Å²	6	52.2 Å²	52.2	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-47	178.9	178.2	-106.3	0	0	0	111.9	L114 I116 V134 I170 L338 M369 M373 A374 D375 F380 L381	L114-F377 VanDerWaalsContact CD2-CA 3.47Å; L114-F377 HydrophobicContact CD2-CB 3.82Å; L114-F377 HydrophobicContact CD2-CD2 4.14Å; L114-F377 HydrophobicContact CD2-CG 4.5Å; I116-F377 HydrophobicContact CD1-CB 4.26Å; I116-F377 HydrophobicContact CD1-CD2 3.78Å; I116-F377 HydrophobicContact CD1-CG 4.29Å; V134-F377 HydrophobicContact CG1-CE2 4.15Å; V134-F377 HydrophobicContact CG2-CD2 3.93Å; V134-F377 HydrophobicContact CG2-CE2 3.67Å; I170-F377 HydrophobicContact CD1-CZ 4.36Å; I170-F377 HydrophobicContact CG2-CE1 3.82Å; I170-F377 HydrophobicContact CG2-CZ 4.08Å; L338-F377 HydrophobicContact CD1-CD1 4.4Å; L338-F377 HydrophobicContact CD1-CE1 3.51Å; L338-F377 HydrophobicContact CD1-CZ 3.88Å; L338-F377 HydrophobicContact CD2-CZ 4.18Å; M369-F377 HydrophobicContact CE-CB 4.29Å; M369-F377 HydrophobicContact CE-CD1 3.93Å; M369-F377 HydrophobicContact CE-CD2 4.05Å; M369-F377 HydrophobicContact CE-CE1 4.22Å; M369-F377 HydrophobicContact CE-CE2 4.34Å; M369-F377 HydrophobicContact CE-CG 3.83Å; M369-F377 HydrophobicContact CE-CZ 4.41Å; M369-F377 HydrophobicContact SD-CB 4.19Å; M369-F377 HydrophobicContact SD-CD1 4.32Å; M369-F377 HydrophobicContact SD-CG 4.27Å; M373-F377 WeakPolarHBondContact O-CB 3.11Å; M373-F377 PolarHBondContact O-N 2.82Å; A374-F377 PolarHBondContact O-N 2.84Å; D375-F377 VanDerWaalsContact C-N 3.27Å; D375-F377 PolarHBondContact O-N 3.3Å; F377-F380 PolarHBondContact O-N 2.93Å; F377-L381 HydrophobicContact CD1-CD1 4.07Å; F377-L381 HydrophobicContact CE1-CD1 3.55Å; F377-L381 HydrophobicContact CE1-CG 4.42Å; F377-L381 HydrophobicContact CE2-CD1 4.35Å; F377-L381 HydrophobicContact CE2-CG 4.47Å; F377-L381 HydrophobicContact CZ-CD1 3.72Å; F377-L381 HydrophobicContact CZ-CD2 4.5Å; F377-L381 HydrophobicContact CZ-CG 4.29Å; F377-L381 WeakPolarHBondContact O-CG 3.38Å; F377-L381 PolarHBondContact O-N 3.28Å
378	Y	69.2	Low	68.2	Low	60 Å²	60	56.8 Å²	56.8	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-49	175.6	177.5	-102.1	0	0	0	111.6	A192 A374 D375 F380 L381 V382	A192-Y378 HydrophobicContact CB-CD1 3.71Å; A192-Y378 HydrophobicContact CB-CE1 3.67Å; A192-Y378 HydrophobicContact CB-CG 4.31Å; A374-Y378 WeakPolarHBondContact O-CB 3.36Å; A374-Y378 PolarHBondContact O-N 2.51Å; D375-Y378 PolarHBondContact O-N 2.65Å; Y378-F380 VanDerWaalsContact C-N 3.25Å; Y378-F380 PolarHBondContact O-N 3.12Å; Y378-L381 PolarHBondContact O-N 2.96Å; Y378-V382 HydrophobicContact CD1-CG2 4.18Å; Y378-V382 HydrophobicContact CD2-CG2 4.41Å; Y378-V382 HydrophobicContact CE1-CG2 3.78Å; Y378-V382 HydrophobicContact CE2-CG2 4.02Å; Y378-V382 HydrophobicContact CG-CG2 4.48Å; Y378-V382 VanDerWaalsContact O-CG2 3.32Å; Y378-V382 WeakPolarHBondContact O-CG2 3.46Å; Y378-V382 PolarHBondContact O-N 2.9Å
379	A	65.1	Low	66.9	Low	59 Å²	59	57.4 Å²	57.4	49%	0.488	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-35.8	178.4	0	0	0	0	0	112.6	D375 R383	D375-A379 VanDerWaalsContact O-CB 3.32Å; D375-A379 WeakPolarHBondContact O-CB 3.41Å; D375-A379 PolarHBondContact O-N 3.01Å; A379-R383 WeakPolarHBondContact O-CB 3.39Å; A379-R383 PolarHBondContact O-N 2.95Å
380	F	70.7	Confident	64.8	Low	21 Å²	21	58.9 Å²	58.9	9%	0.092	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-46.7	175.4	-168.9	-89.6	0	0	0	111.7	R112 V134 P136 P376 F377 Y378 V382 R383 C384	R112-F380 WeakPolarHBondContact O-CZ 3.2Å; V134-F380 HydrophobicContact CB-CD1 4.27Å; V134-F380 HydrophobicContact CB-CE1 4.18Å; V134-F380 HydrophobicContact CG1-CD1 3.59Å; V134-F380 HydrophobicContact CG1-CE1 3.65Å; V134-F380 WeakPolarHBondContact O-CE1 3.32Å; V134-F380 WeakPolarHBondContact O-CZ 3.4Å; P136-F380 HydrophobicContact CG-CZ 4.35Å; P376-F380 VanDerWaalsContact O-CB 3.29Å; P376-F380 WeakPolarHBondContact O-CB 3.44Å; P376-F380 PolarHBondContact O-N 2.8Å; F377-F380 PolarHBondContact O-N 2.93Å; Y378-F380 VanDerWaalsContact C-N 3.25Å; Y378-F380 PolarHBondContact O-N 3.12Å; F380-V382 PolarHBondContact O-N 2.84Å; F380-R383 PolarHBondContact O-N 2.89Å; F380-C384 WeakPolarHBondContact CE1-SG 3.43Å; F380-C384 VanDerWaalsContact CZ-SG 3.56Å; F380-C384 WeakPolarHBondContact O-CB 3.39Å; F380-C384 PolarHBondContact O-N 2.98Å; F380-C384 PolarHBondContact O-SG 2.86Å
381	L	68.5	Low	63.3	Low	8 Å²	8	62.4 Å²	62.4	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-44.9	178.2	-69	176.2	0	0	0	112.7	V134 M164 I170 F377 Y378 R383 C384 C385 Y389	V134-L381 HydrophobicContact CG1-CD2 4.47Å; M164-L381 HydrophobicContact CE-CD2 3.82Å; M164-L381 HydrophobicContact SD-CD2 4.45Å; I170-L381 HydrophobicContact CD1-CD1 3.69Å; I170-L381 HydrophobicContact CD1-CD2 3.86Å; I170-L381 HydrophobicContact CD1-CG 4.46Å; I170-L381 HydrophobicContact CG2-CD1 4.31Å; F377-L381 HydrophobicContact CD1-CD1 4.07Å; F377-L381 HydrophobicContact CE1-CD1 3.55Å; F377-L381 HydrophobicContact CE1-CG 4.42Å; F377-L381 HydrophobicContact CE2-CD1 4.35Å; F377-L381 HydrophobicContact CE2-CG 4.47Å; F377-L381 HydrophobicContact CZ-CD1 3.72Å; F377-L381 HydrophobicContact CZ-CD2 4.5Å; F377-L381 HydrophobicContact CZ-CG 4.29Å; F377-L381 WeakPolarHBondContact O-CG 3.38Å; F377-L381 PolarHBondContact O-N 3.28Å; Y378-L381 PolarHBondContact O-N 2.96Å; L381-R383 PolarHBondContact O-N 3.1Å; L381-C384 PolarHBondContact O-N 3.21Å; L381-C385 PolarHBondContact O-N 3.26Å; L381-Y389 HydrophobicContact CB-CD2 4.02Å; L381-Y389 HydrophobicContact CB-CE2 4.34Å; L381-Y389 HydrophobicContact CB-CG 4.29Å; L381-Y389 HydrophobicContact CD2-CE2 4.46Å; L381-Y389 WeakPolarHBondContact O-CD2 3.41Å
382	V	64.6	Low	61.3	Low	40 Å²	40	68 Å²	68	24%	0.242	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-39.6	176.3	175.3	0	0	0	0	111.1	Y378 F380 P386 Y389	Y378-V382 HydrophobicContact CD1-CG2 4.18Å; Y378-V382 HydrophobicContact CD2-CG2 4.41Å; Y378-V382 HydrophobicContact CE1-CG2 3.78Å; Y378-V382 HydrophobicContact CE2-CG2 4.02Å; Y378-V382 HydrophobicContact CG-CG2 4.48Å; Y378-V382 VanDerWaalsContact O-CG2 3.32Å; Y378-V382 WeakPolarHBondContact O-CG2 3.46Å; Y378-V382 PolarHBondContact O-N 2.9Å; F380-V382 PolarHBondContact O-N 2.84Å; V382-P386 VanDerWaalsContact O-CA 3.29Å; V382-P386 WeakPolarHBondContact O-CA 3.29Å; V382-Y389 WeakPolarHBondContact CG2-O 3.32Å
383	R	62.5	Low	59.3	Low	162 Å²	162	69.5 Å²	69.5	61%	0.611	36%	0.359	S	S	*	.	H	α-helix	trans	-74.3	-40.5	179.5	-176.5	177.8	177.2	93	16.1	113	A379 F380 L381	A379-R383 WeakPolarHBondContact O-CB 3.39Å; A379-R383 PolarHBondContact O-N 2.95Å; F380-R383 PolarHBondContact O-N 2.89Å; L381-R383 PolarHBondContact O-N 3.1Å
384	C	60.1	Low	56.9	Low	30 Å²	30	74.1 Å²	74.1	20%	0.203	38%	0.384	C	S	.	.	H	α-helix	trans	-74.7	-35	-176.6	-69.7	0	0	0	0	112.7	P136 M164 F380 L381	P136-C384 VanDerWaalsContact CA-SG 3.58Å; P136-C384 HydrophobicContact CB-CB 4.34Å; M164-C384 HydrophobicContact CE-CB 4.36Å; F380-C384 WeakPolarHBondContact CE1-SG 3.43Å; F380-C384 VanDerWaalsContact CZ-SG 3.56Å; F380-C384 WeakPolarHBondContact O-CB 3.39Å; F380-C384 PolarHBondContact O-N 2.98Å; F380-C384 PolarHBondContact O-SG 2.86Å; L381-C384 PolarHBondContact O-N 3.21Å
385	C	57.2	Low	54.7	Low	25 Å²	25	79.2 Å²	79.2	17%	0.169	42%	0.42	C	S	.	.			trans	-134.7	75.2	176.1	-56.5	0	0	0	0	110	M164 L381 E387 K388 Y389	M164-C385 WeakPolarHBondContact CE-SG 3.32Å; L381-C385 PolarHBondContact O-N 3.26Å; C385-E387 PolarHBondContact O-N 2.77Å; C385-E387 VanDerWaalsContact O-N 3.17Å; C385-K388 HydrophobicContact CB-CB 4.13Å; C385-K388 PolarHBondContact O-N 2.91Å; C385-Y389 HydrophobicContact CB-CD2 3.83Å; C385-Y389 HydrophobicContact CB-CE2 4.1Å; C385-Y389 PolarHBondContact O-N 2.93Å
386	P	59.2	Low	52.9	Low	79 Å²	79	82.1 Å²	82.1	51%	0.513	44%	0.44	S	S	.	.	H	α-helix	trans	-60.3	-26.7	178	25.3	-33.8	0	0	0	111.8	V382 G390	V382-P386 VanDerWaalsContact O-CA 3.29Å; V382-P386 WeakPolarHBondContact O-CA 3.29Å; P386-G390 WeakPolarHBondContact O-CA 3.14Å; P386-G390 PolarHBondContact O-N 2.88Å
387	E	53.1	Low	51	Low	193 Å²	193	85.1 Å²	85.1	90%	0.902	46%	0.463	S	S	*	.	H	α-helix	trans	-68.7	-31.3	175.8	-59.3	-171.8	178.7	0	0	113.7	C385	C385-E387 PolarHBondContact O-N 2.77Å; C385-E387 VanDerWaalsContact O-N 3.17Å
388	K	54.3	Low	48.5	Very low	96 Å²	96	88.6 Å²	88.6	42%	0.417	50%	0.5	S	S	.	.	H	α-helix	trans	-95.3	-29.4	179.3	-74.8	-172.3	179.3	-179.8	0	113	M164 I167 C385	M164-K388 PolarHBondContact O-NZ 2.88Å; I167-K388 PolarHBondContact O-NZ 2.9Å; C385-K388 HydrophobicContact CB-CB 4.13Å; C385-K388 PolarHBondContact O-N 2.91Å
389	Y	55	Low	46.5	Very low	23 Å²	23	95 Å²	95	9%	0.09	53%	0.532	C	S	.	.	H	α-helix	trans	-129	-8.6	-169.2	-57	-66.4	0	0	0	114	M164 F202 L381 V382 C385	M164-Y389 HydrophobicContact CE-CE2 4.37Å; F202-Y389 AromaticContact CE1-CD1 3.9Å; F202-Y389 HydrophobicContact CE1-CD1 3.9Å; F202-Y389 AromaticContact CE1-CE1 3.9Å; F202-Y389 HydrophobicContact CE1-CE1 3.9Å; L381-Y389 HydrophobicContact CB-CD2 4.02Å; L381-Y389 HydrophobicContact CB-CE2 4.34Å; L381-Y389 HydrophobicContact CB-CG 4.29Å; L381-Y389 HydrophobicContact CD2-CE2 4.46Å; L381-Y389 WeakPolarHBondContact O-CD2 3.41Å; V382-Y389 WeakPolarHBondContact CG2-O 3.32Å; C385-Y389 HydrophobicContact CB-CD2 3.83Å; C385-Y389 HydrophobicContact CB-CE2 4.1Å; C385-Y389 PolarHBondContact O-N 2.93Å
390	G	37.6	Very low	44.7	Very low	30 Å²	30	98.1 Å²	98.1	31%	0.309	54%	0.544	S	S	.	.	S	Bend	trans	-80.1	143.5	176.2	0	0	0	0	0	111.9	P386	P386-G390 WeakPolarHBondContact O-CA 3.14Å; P386-G390 PolarHBondContact O-N 2.88Å
391	H	44.3	Very low	42.6	Very low	110 Å²	110	103.8 Å²	103.8	51%	0.509	59%	0.585	S	S	.	*			trans	-73.4	127.4	169.4	-83.7	-87.1	0	0	0	109.7	V195 L393	V195-H391 VanDerWaalsContact CG1-CE1 3.44Å; V195-H391 WeakPolarHBondContact CG1-CE1 3.13Å; V195-H391 VanDerWaalsContact CG1-NE2 3.3Å; V195-H391 WeakPolarHBondContact CG1-NE2 3.14Å; H391-L393 VanDerWaalsContact C-N 3.35Å; H391-L393 PolarHBondContact O-N 3.02Å
392	E	31.4	Very low	40.4	Very low	179 Å²	179	108.4 Å²	108.4	84%	0.836	61%	0.61	S	S	*	*			trans	-61.7	102.6	153.1	-76.5	-177	153.1	0	0	106.5	D394	E392-D394 PolarHBondContact O-N 3.29Å
393	L	32.2	Very low	38.7	Very low	166 Å²	166	113.8 Å²	113.8	87%	0.869	64%	0.642	S	S	*	*			trans	-67.7	91.3	167.2	-80	166.5	0	0	0	107.1	H391 S395	H391-L393 VanDerWaalsContact C-N 3.35Å; H391-L393 PolarHBondContact O-N 3.02Å; L393-S395 PolarHBondContact O-N 3.28Å; L393-S395 VanDerWaalsContact O-N 3.17Å
394	D	27.6	Very low	37	Very low	139 Å²	139	112.2 Å²	112.2	74%	0.743	64%	0.642	S	S	*	*			trans	-55.6	120.5	165.7	-98.1	-27.2	0	0	0	108.7	E392 T396	E392-D394 PolarHBondContact O-N 3.29Å; D394-T396 PolarHBondContact O-N 2.9Å
395	S	25.3	Very low	35.4	Very low	108 Å²	108	120.4 Å²	120.4	76%	0.755	67%	0.674	S	S	*	*	S	Bend	trans	-53.3	97.8	177.6	43.4	0	0	0	0	111.9	L393	L393-S395 PolarHBondContact O-N 3.28Å; L393-S395 VanDerWaalsContact O-N 3.17Å
396	T	27.4	Very low	34	Very low	133 Å²	133	129 Å²	129	82%	0.816	71%	0.705	S	S	*	*			trans	-171.8	68.9	154.8	12.9	0	0	0	0	112.2	D394	D394-T396 PolarHBondContact O-N 2.9Å
397	S	29.4	Very low	32.5	Very low	121 Å²	121	134.4 Å²	134.4	85%	0.846	72%	0.72	S	S	*	*			trans	-171.9	101.7	146.1	31.8	0	0	0	0	107.6	E399	S397-E399 PolarHBondContact O-N 3.32Å
398	G	24.7	Very low	31	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	72%	0.721	S	S	*	*			trans	-69.7	119.8	178.1	0	0	0	0	0	110.2
399	E	26.2	Very low	29.8	Very low	195 Å²	195	142 Å²	142	91%	0.911	74%	0.743	S	S	*	*			trans	-137.7	123.6	136.9	-107.1	-178.2	158.6	0	0	108.5	S397	S397-E399 PolarHBondContact O-N 3.32Å
400	V	27.1	Very low	28.4	Very low	124 Å²	124	146.7 Å²	146.7	75%	0.752	78%	0.775	S	S	*	*			trans	-83.1	128.3	-164.4	170.5	0	0	0	0	110	D402	V400-D402 HydrophobicContact CG1-CB 4Å
401	C	26.1	Very low	27.8	Very low	141 Å²	141	154.1 Å²	154.1	95%	0.953	80%	0.799	S	S	*	*			trans	-130.6	105.9	149.4	-95.7	0	0	0	0	108.5
402	D	22.8	Very low	27.1	Very low	105 Å²	105	155.6 Å²	155.6	56%	0.561	81%	0.81	S	S	*	*			trans	-91.1	126	-169	-160.2	16.2	0	0	0	109.7	V400 Q404	V400-D402 HydrophobicContact CG1-CB 4Å; D402-Q404 PolarHBondContact OD2-NE2 3.46Å; D402-Q404 VanDerWaalsContact OD2-NE2 3.12Å
403	V	29.4	Very low	26.8	Very low	152 Å²	152	151.6 Å²	151.6	92%	0.921	80%	0.801	S	S	*	*			trans	-135.9	112.8	150.9	-176.8	0	0	0	0	108.4
404	Q	27.3	Very low	26.6	Very low	129 Å²	129	148.3 Å²	148.3	60%	0.603	79%	0.793	S	S	*	*			trans	-77.1	147.8	-159.1	-66.4	170.3	-12.6	0	0	114.7	D402	D402-Q404 PolarHBondContact OD2-NE2 3.46Å; D402-Q404 VanDerWaalsContact OD2-NE2 3.12Å
405	K	25.3	Very low	26.6	Very low	203 Å²	203	148.5 Å²	148.5	88%	0.883	79%	0.794	S	S	*	*			trans	-56	130.9	153.2	-78.7	171	171.7	165.8	0	111.3
406	Y	27.6	Very low	26.7	Very low	204 Å²	204	150 Å²	150	80%	0.8	80%	0.802	S	S	*	*			trans	-139.5	95.9	151.8	-102.1	-91	0	0	0	107.5
407	K	28	Very low	26.6	Very low	193 Å²	193	149.8 Å²	149.8	84%	0.839	80%	0.801	S	S	*	*				45.8	95.8	81.9	-110.3	-175	-175.8	177.4	0	114.7
408	R	22.8	Very low	26.5	Very low	245 Å²	245	152.3 Å²	152.3	93%	0.925	80%	0.804	S	S	*	*			trans	-16.1	123.3	147.9	-142.1	-179	-150.4	130.1	1.8	114.2
409	K	27.9	Very low	26.5	Very low	203 Å²	203	155.6 Å²	155.6	88%	0.883	80%	0.803	S	S	*	*			trans	-162.9	127	144.1	-110.7	174.2	-176.3	-177.1	0	110.9
410	T	25.1	Very low	26.6	Very low	122 Å²	122	154.5 Å²	154.5	75%	0.748	80%	0.798	S	S	*	*			trans	-62.6	172.2	167.7	38.5	0	0	0	0	112.4
411	F	26.6	Very low	26.6	Very low	186 Å²	186	157.8 Å²	157.8	82%	0.816	81%	0.805	S	S	*	*			trans	115.5	123.3	177.6	-84.1	-117.2	0	0	0	109.2
412	L	29.1	Very low	26.9	Very low	141 Å²	141	163.5 Å²	163.5	74%	0.738	81%	0.807	S	S	*	*			cis	-166.8	148.4	17.7	-102.1	157.9	0	0	0	109
413	S	24.6	Very low	27.3	Very low	95 Å²	95	165.5 Å²	165.5	66%	0.664	81%	0.813	S	S	*	*			trans	50.8	124.6	133.8	-168.6	0	0	0	0	118.8
414	S	28.9	Very low	27.3	Very low	98 Å²	98	166.5 Å²	166.5	69%	0.685	81%	0.812	S	S	*	*				-169.1	133.4	65.5	-51.5	0	0	0	0	113.1
415	N	26.1	Very low	27.6	Very low	143 Å²	143	162.3 Å²	162.3	77%	0.765	80%	0.795	S	S	*	*			trans	56.3	99.8	143.4	-59.8	-5.2	0	0	0	120.7
416	C	27.3	Very low	28.1	Very low	138 Å²	138	156.1 Å²	156.1	93%	0.932	78%	0.777	S	S	*	*				-156.3	110.4	117.6	-108.7	0	0	0	0	110.4
417	T	25.7	Very low	28.7	Very low	129 Å²	129	151.1 Å²	151.1	79%	0.791	77%	0.767	S	S	*	*			trans	-75.4	132.3	176.9	44.2	0	0	0	0	110.9
418	L	28.5	Very low	29.8	Very low	175 Å²	175	146.3 Å²	146.3	92%	0.916	75%	0.751	S	S	*	*			trans	-158.4	109.9	135.9	-93.2	177.4	0	0	0	108
419	N	24.9	Very low	31	Very low	146 Å²	146	137 Å²	137	78%	0.781	72%	0.718	S	S	*	*			trans	-51.5	153.4	161.8	-64.7	-31.3	0	0	0	108.6
420	E	28.5	Very low	31.7	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	70%	0.698	S	S	*	*				-173.7	140.7	73.3	-81.4	172.6	166	0	0	109.3
421	E	26.9	Very low	32.8	Very low	192 Å²	192	132.6 Å²	132.6	90%	0.897	69%	0.692	S	S	*	*			trans	70	91	161.8	-59.4	-175	172	0	0	119.4
422	W	32.1	Very low	34.2	Very low	261 Å²	261	132.6 Å²	132.6	99%	0.989	69%	0.686	S	S	*	*			trans	-88.6	121.3	163.2	-59.6	79.7	0	0	0	109.8
423	E	30.6	Very low	35.2	Very low	147 Å²	147	133.1 Å²	133.1	69%	0.687	68%	0.678	S	S	*	*			trans	-102.5	137.1	170	-172.5	-176.2	-168.9	0	0	109.4	V425	E423-V425 HydrophobicContact CB-CG2 4.1Å; E423-V425 HydrophobicContact CG-CG2 4.01Å; E423-V425 PolarHBondContact O-N 2.82Å
424	I	30.1	Very low	35.9	Very low	174 Å²	174	134.5 Å²	134.5	89%	0.892	68%	0.677	S	S	*	*			trans	-79.5	106.9	171.5	-60.2	173.9	0	0	0	107.6
425	V	32.6	Very low	36.5	Very low	41 Å²	41	134.8 Å²	134.8	25%	0.248	68%	0.68	C	S	.	*			trans	-112.4	141.2	178.5	-156.2	0	0	0	0	109.4	E423 E429 I430	E423-V425 HydrophobicContact CB-CG2 4.1Å; E423-V425 HydrophobicContact CG-CG2 4.01Å; E423-V425 PolarHBondContact O-N 2.82Å; V425-E429 HydrophobicContact CG1-CB 3.41Å; V425-E429 VanDerWaalsContact CG1-CB 3.41Å; V425-E429 HydrophobicContact CG1-CG 3.24Å; V425-I430 HydrophobicContact CB-CG1 4.4Å
426	S	36.2	Very low	37.3	Very low	73 Å²	73	136.2 Å²	136.2	51%	0.51	69%	0.686	S	S	.	*			trans	-61.9	151.7	178.6	69	0	0	0	0	111.6	D428 E429 I430	S426-D428 PolarHBondContact O-N 3.32Å; S426-E429 PolarHBondContact O-N 2.96Å; S426-I430 PolarHBondContact O-N 3.39Å
427	V	40.2	Very low	37.7	Very low	98 Å²	98	140.7 Å²	140.7	59%	0.594	68%	0.684	S	S	*	*	H	α-helix	trans	-52.1	-32.8	179	176.3	0	0	0	0	112	K431	V427-K431 HydrophobicContact CG1-CD 4.49Å; V427-K431 VanDerWaalsContact O-CG 3.3Å; V427-K431 WeakPolarHBondContact O-CG 3.35Å; V427-K431 PolarHBondContact O-N 3.21Å
428	D	52	Low	38.2	Very low	93 Å²	93	142 Å²	142	50%	0.497	69%	0.686	S	S	.	*	H	α-helix	trans	-75.5	-30.9	-179.6	-64.3	-41.2	0	0	0	113.8	S426 K431 R432	S426-D428 PolarHBondContact O-N 3.32Å; D428-K431 PolarHBondContact O-N 3.04Å; D428-K431 IonicContact OD1-NZ 2.95Å; D428-R432 PolarHBondContact O-N 3.17Å
429	E	46.3	Very low	38.8	Very low	49 Å²	49	138 Å²	138	23%	0.229	67%	0.669	C	S	.	*	H	α-helix	trans	-77.6	-33.1	178.3	-178.5	64.2	-170.6	0	0	111.4	V425 S426 K431 R432 R433	V425-E429 HydrophobicContact CG1-CB 3.41Å; V425-E429 VanDerWaalsContact CG1-CB 3.41Å; V425-E429 HydrophobicContact CG1-CG 3.24Å; S426-E429 PolarHBondContact O-N 2.96Å; E429-K431 VanDerWaalsContact C-N 3.31Å; E429-K431 PolarHBondContact O-N 3.49Å; E429-R432 PolarHBondContact O-N 3.05Å; E429-R432 VanDerWaalsContact O-N 3.16Å; E429-R432 IonicContact OE2-NH1 3.28Å; E429-R432 PolarHBondContact OE2-NH1 2.7Å; E429-R433 WeakPolarHBondContact O-CG 3.41Å; E429-R433 PolarHBondContact O-N 3.26Å; E429-R433 IonicContact OE1-CZ 3.49Å; E429-R433 IonicContact OE1-NE 2.95Å; E429-R433 PolarHBondContact OE1-NE 3.02Å; E429-R433 IonicContact OE1-NH2 3.32Å; E429-R433 PolarHBondContact OE1-NH2 3.39Å
430	I	43	Very low	39.6	Very low	90 Å²	90	135.8 Å²	135.8	46%	0.462	67%	0.67	S	S	.	*	H	α-helix	trans	-60.7	-42.8	170.3	-64.3	170.2	0	0	0	110.4	V425 S426 R432 R433 L434	V425-I430 HydrophobicContact CB-CG1 4.4Å; S426-I430 PolarHBondContact O-N 3.39Å; I430-R432 PolarHBondContact O-N 3.21Å; I430-R433 PolarHBondContact O-N 3.31Å; I430-L434 HydrophobicContact CG2-CD1 4.28Å
431	K	48.3	Very low	40.1	Very low	143 Å²	143	134 Å²	134	62%	0.622	67%	0.666	S	S	*	*	H	α-helix	trans	-62.4	-28.1	176.2	-71.9	170.1	-175.6	169	0	113.3	V427 D428 E429	V427-K431 HydrophobicContact CG1-CD 4.49Å; V427-K431 VanDerWaalsContact O-CG 3.3Å; V427-K431 WeakPolarHBondContact O-CG 3.35Å; V427-K431 PolarHBondContact O-N 3.21Å; D428-K431 PolarHBondContact O-N 3.04Å; D428-K431 IonicContact OD1-NZ 2.95Å; E429-K431 VanDerWaalsContact C-N 3.31Å; E429-K431 PolarHBondContact O-N 3.49Å
432	R	55.6	Low	40.9	Very low	185 Å²	185	130.3 Å²	130.3	70%	0.698	66%	0.656	S	S	*	*	H	α-helix	trans	-81.1	-29.2	177.1	-71.4	-171.3	-160.8	118.1	1.9	113.9	D428 E429 I430	D428-R432 PolarHBondContact O-N 3.17Å; E429-R432 PolarHBondContact O-N 3.05Å; E429-R432 VanDerWaalsContact O-N 3.16Å; E429-R432 IonicContact OE2-NH1 3.28Å; E429-R432 PolarHBondContact OE2-NH1 2.7Å; I430-R432 PolarHBondContact O-N 3.21Å
433	R	51.3	Low	41.5	Very low	153 Å²	153	120.7 Å²	120.7	58%	0.577	63%	0.633	S	S	*	*	H	α-helix	trans	-85.4	-10	-171.6	-73.1	-179.1	175.9	-169.2	-4.3	114.7	E429 I430 S435	E429-R433 WeakPolarHBondContact O-CG 3.41Å; E429-R433 PolarHBondContact O-N 3.26Å; E429-R433 IonicContact OE1-CZ 3.49Å; E429-R433 IonicContact OE1-NE 2.95Å; E429-R433 PolarHBondContact OE1-NE 3.02Å; E429-R433 IonicContact OE1-NH2 3.32Å; E429-R433 PolarHBondContact OE1-NH2 3.39Å; I430-R433 PolarHBondContact O-N 3.31Å; R433-S435 PolarHBondContact O-N 3.13Å
434	L	38.3	Very low	42.4	Very low	123 Å²	123	124 Å²	124	64%	0.644	64%	0.641	S	S	*	*			trans	-92.8	95.9	-178.9	-69.6	166.7	0	0	0	111.5	I430 L436	I430-L434 HydrophobicContact CG2-CD1 4.28Å; L434-L436 PolarHBondContact O-N 3.33Å
435	S	42.4	Very low	43.7	Very low	105 Å²	105	122.4 Å²	122.4	73%	0.734	63%	0.629	S	S	*	*			trans	-88.4	96.9	174.6	46.5	0	0	0	0	112.6	R433 R437	R433-S435 PolarHBondContact O-N 3.13Å; S435-R437 PolarHBondContact O-N 2.76Å
436	L	42.6	Very low	45.3	Very low	172 Å²	172	126 Å²	126	90%	0.901	65%	0.654	S	S	*	*	S	Bend	trans	47.9	3.6	138.8	-87.4	160.9	0	0	0	124.2	L434	L434-L436 PolarHBondContact O-N 3.33Å
437	R	36.1	Very low	47.2	Very low	233 Å²	233	124.1 Å²	124.1	88%	0.879	64%	0.637	S	S	*	*	S	Bend	trans	-135.2	-6.9	180	-78.3	-171.8	174.9	177.5	-2.8	120.1	S435	S435-R437 PolarHBondContact O-N 2.76Å
438	D	36	Very low	48.8	Very low	157 Å²	157	120.3 Å²	120.3	84%	0.84	62%	0.615	S	S	*	*			trans	-129.9	20.6	-171.7	-73.9	-45.8	0	0	0	117.1	A440	D438-A440 PolarHBondContact O-N 3.19Å; D438-A440 VanDerWaalsContact O-N 3.13Å
439	V	40.9	Very low	50.2	Low	91 Å²	91	120.2 Å²	120.2	55%	0.552	62%	0.619	S	S	*	*			trans	-92.1	81.9	-174.2	-168.3	0	0	0	0	112	D441	V439-D441 HydrophobicContact CG1-CB 3.77Å; V439-D441 PolarHBondContact O-N 3.13Å; V439-D441 VanDerWaalsContact O-N 3.15Å
440	A	41	Very low	51.8	Low	99 Å²	99	118.6 Å²	118.6	82%	0.818	62%	0.616	S	S	*	*			trans	-71.8	19.5	160.3	0	0	0	0	0	113.3	D438	D438-A440 PolarHBondContact O-N 3.19Å; D438-A440 VanDerWaalsContact O-N 3.13Å
441	D	40.6	Very low	53.7	Low	135 Å²	135	114.4 Å²	114.4	72%	0.722	59%	0.594	S	S	*	*			trans	-107	56	172.2	-74.7	-37.5	0	0	0	111.2	V439 A443	V439-D441 HydrophobicContact CG1-CB 3.77Å; V439-D441 PolarHBondContact O-N 3.13Å; V439-D441 VanDerWaalsContact O-N 3.15Å; D441-A443 PolarHBondContact O-N 3.28Å
442	V	43.2	Very low	55.2	Low	114 Å²	114	115.2 Å²	115.2	69%	0.691	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	51.7	174.1	-168.2	0	0	0	0	110.7
443	A	43.3	Very low	56.6	Low	60 Å²	60	112.1 Å²	112.1	50%	0.496	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113	-5.4	-171.5	0	0	0	0	0	115.2	D441	D441-A443 PolarHBondContact O-N 3.28Å
444	Y	50.9	Low	58.4	Low	217 Å²	217	105.7 Å²	105.7	85%	0.851	57%	0.572	S	S	*	*			trans	-148	34.4	-175.9	-85.7	-78.6	0	0	0	116.2	P446	Y444-P446 WeakPolarHBondContact O-CD 3.37Å
445	H	56.4	Low	60.8	Low	139 Å²	139	102.7 Å²	102.7	64%	0.644	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-73.4	122.1	159.4	-70.3	-57.4	0	0	0	108.8	L447 R463	H445-L447 PolarHBondContact O-N 3.19Å; H445-R463 PolarHBondContact O-NH1 3.49Å; H445-R463 PolarHBondContact O-NH2 3.04Å
446	P	66.4	Low	63.2	Low	118 Å²	118	97.8 Å²	97.8	77%	0.766	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-61	137.3	177.4	25.8	-32.4	0	0	0	108.8	Y444	Y444-P446 WeakPolarHBondContact O-CD 3.37Å
447	L	75.7	Confident	65.5	Low	32 Å²	32	90.1 Å²	90.1	17%	0.168	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-65.6	151.6	176.8	-58.8	171	0	0	0	109.8	H445 C451 E459 I462 R463 I466	H445-L447 PolarHBondContact O-N 3.19Å; L447-C451 WeakPolarHBondContact CB-SG 3.4Å; L447-E459 HydrophobicContact CD1-CG 3.98Å; L447-E459 HydrophobicContact CD2-CG 4.49Å; L447-I462 HydrophobicContact CD2-CG2 4.11Å; L447-R463 HydrophobicContact CD2-CG 3.81Å; L447-I466 HydrophobicContact CD2-CD1 4.41Å
448	P	75.4	Confident	68	Low	19 Å²	19	83.6 Å²	83.6	12%	0.123	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-55.9	141	172.9	-23	33	0	0	0	110.9	C451 I466	P448-C451 PolarHBondContact O-N 3.23Å; P448-C451 PolarHBondContact O-SG 2.79Å; P448-I466 HydrophobicContact CG-CD1 3.91Å; P448-I466 HydrophobicContact CG-CG1 4.5Å
449	P	80.6	Confident	70.5	Confident	91 Å²	91	81.2 Å²	81.2	59%	0.591	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	143.8	179.6	20.2	-28.9	0	0	0	111.6	C451 P477 W478	P449-C451 PolarHBondContact O-N 3.22Å; P449-P477 HydrophobicContact CG-CB 4.09Å; P449-P477 WeakPolarHBondContact O-CA 3.42Å; P449-W478 PolarHBondContact O-N 3.16Å
450	G	80.8	Confident	72.7	Confident	15 Å²	15	79.4 Å²	79.4	16%	0.155	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	90	-20.2	178.3	0	0	0	0	0	115.4	E452 E453 W478 W616	G450-E452 PolarHBondContact O-N 3.3Å; G450-E453 WeakPolarHBondContact O-CB 3.34Å; G450-E453 PolarHBondContact O-N 2.95Å; G450-E453 VanDerWaalsContact O-N 3.12Å; G450-W478 WeakPolarHBondContact CA-O 3.42Å; G450-W616 VanDerWaalsContact O-CZ3 3.32Å; G450-W616 WeakPolarHBondContact O-CZ3 3.22Å
451	C	81.8	Confident	75.1	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.007	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-67.3	-22	177.6	70.6	0	0	0	0	113.1	L447 P448 P449 E453 S454 I462 W478	L447-C451 WeakPolarHBondContact CB-SG 3.4Å; P448-C451 PolarHBondContact O-N 3.23Å; P448-C451 PolarHBondContact O-SG 2.79Å; P449-C451 PolarHBondContact O-N 3.22Å; C451-E453 PolarHBondContact O-N 2.86Å; C451-S454 PolarHBondContact O-N 2.78Å; C451-I462 HydrophobicContact CB-CD1 4.16Å; C451-I462 HydrophobicContact CB-CG2 3.99Å; C451-I462 WeakPolarHBondContact O-CD1 3.46Å; C451-W478 HydrophobicContact CB-CB 4.22Å; C451-W478 HydrophobicContact CB-CD2 3.92Å; C451-W478 HydrophobicContact CB-CE3 4.24Å; C451-W478 HydrophobicContact CB-CG 3.92Å
452	E	79.7	Confident	77.5	Confident	160 Å²	160	68.7 Å²	68.7	75%	0.748	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-67.8	-14.8	175.3	-59	179.2	-177.2	0	0	112.8	G450 S454	G450-E452 PolarHBondContact O-N 3.3Å; E452-S454 PolarHBondContact O-N 2.92Å
453	E	84.3	Confident	79.6	Confident	121 Å²	121	66.8 Å²	66.8	57%	0.565	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-76.7	-7.9	178.1	-62.2	176.9	-144	0	0	112.8	G450 C451 W616	G450-E453 WeakPolarHBondContact O-CB 3.34Å; G450-E453 PolarHBondContact O-N 2.95Å; G450-E453 VanDerWaalsContact O-N 3.12Å; C451-E453 PolarHBondContact O-N 2.86Å; E453-W616 HydrophobicContact CB-CH2 3.94Å; E453-W616 HydrophobicContact CB-CZ3 4.47Å
454	S	89.3	Confident	81.9	Confident	18 Å²	18	67.7 Å²	67.7	13%	0.126	35%	0.348	C	S	.	.			trans	-72.4	131.2	-179	-171.6	0	0	0	0	112.3	C451 E452 I456 L457 E614 W616	C451-S454 PolarHBondContact O-N 2.78Å; E452-S454 PolarHBondContact O-N 2.92Å; S454-I456 PolarHBondContact OG-N 2.77Å; S454-L457 WeakPolarHBondContact OG-CB 3Å; S454-L457 PolarHBondContact OG-N 3.37Å; S454-E614 PolarHBondContact OG-OE1 3.04Å; S454-E614 PolarHBondContact OG-OE2 3.17Å; S454-W616 VanDerWaalsContact CB-CZ2 3.4Å
455	T	89.4	Confident	83.8	Confident	60 Å²	60	57.4 Å²	57.4	37%	0.368	31%	0.307	S	S	.	.	S	Bend	trans	-94.8	-8.7	169.7	73.7	0	0	0	0	111.7	E485 R513 E614	T455-E485 WeakPolarHBondContact CB-OE2 3.25Å; T455-E485 WeakPolarHBondContact CG2-OE2 3.17Å; T455-E485 PolarHBondContact OG1-OE2 3.28Å; T455-R513 PolarHBondContact O-NH1 3.03Å; T455-E614 PolarHBondContact N-OE1 2.98Å; T455-E614 PolarHBondContact OG1-OE1 2.85Å
456	I	92.6	Very high	85.4	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	-102.6	-35.2	-179.5	-58.3	-179.9	0	0	0	113.4	S454 V511 R513 T519 A612 E614	S454-I456 PolarHBondContact OG-N 2.77Å; I456-V511 HydrophobicContact CB-CG1 4.19Å; I456-V511 HydrophobicContact CG2-CG1 3.47Å; I456-V511 VanDerWaalsContact CG2-CG1 3.47Å; I456-R513 HydrophobicContact CD1-CB 4.38Å; I456-R513 HydrophobicContact CG1-CB 4.49Å; I456-R513 HydrophobicContact CG2-CB 3.81Å; I456-R513 VanDerWaalsContact O-CZ 3.3Å; I456-R513 PolarHBondContact O-NH2 3.41Å; I456-T519 HydrophobicContact CG2-CG2 3.76Å; I456-A612 HydrophobicContact CD1-CB 3.55Å; I456-A612 HydrophobicContact CG1-CB 3.91Å; I456-E614 HydrophobicContact CD1-CB 4.12Å; I456-E614 HydrophobicContact CD1-CG 3.62Å; I456-E614 HydrophobicContact CG1-CG 4.05Å; I456-E614 PolarHBondContact N-OE1 2.71Å
457	L	92	Very high	86.3	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.058	28%	0.279	C	S	.	.			trans	-97.6	128.2	-175.7	-59.6	174.1	0	0	0	110.3	S454 M461 I462 L465 W478 L509 V511 T519	S454-L457 WeakPolarHBondContact OG-CB 3Å; S454-L457 PolarHBondContact OG-N 3.37Å; L457-M461 HydrophobicContact CD2-CB 4.42Å; L457-M461 HydrophobicContact CD2-CG 3.68Å; L457-I462 HydrophobicContact CB-CD1 4.15Å; L457-I462 HydrophobicContact CB-CG1 3.66Å; L457-I462 HydrophobicContact CD1-CG1 4.25Å; L457-L465 HydrophobicContact CD1-CD1 3.7Å; L457-L465 HydrophobicContact CD2-CD1 3.67Å; L457-L465 HydrophobicContact CG-CD1 4.34Å; L457-W478 HydrophobicContact CD1-CH2 4.23Å; L457-W478 HydrophobicContact CD1-CZ3 3.67Å; L457-L509 HydrophobicContact CD1-CD2 4.47Å; L457-V511 HydrophobicContact CD1-CG2 4.04Å; L457-V511 HydrophobicContact CD2-CG1 3.65Å; L457-V511 HydrophobicContact CD2-CG2 4.27Å; L457-V511 HydrophobicContact CG-CG1 4.13Å; L457-V511 HydrophobicContact CG-CG2 4.32Å; L457-T519 HydrophobicContact CD2-CG2 4.08Å
458	D	88.8	Confident	86.9	Confident	95 Å²	95	51.8 Å²	51.8	51%	0.508	28%	0.276	S	S	.	.			trans	-80.9	163.2	166.9	69.5	-5	0	0	0	110.4	A460 M461 I462	D458-A460 PolarHBondContact O-N 2.9Å; D458-M461 PolarHBondContact O-N 2.79Å; D458-M461 VanDerWaalsContact O-N 3.14Å; D458-M461 WeakPolarHBondContact OD1-CA 3.44Å; D458-M461 WeakPolarHBondContact OD1-CB 3.49Å; D458-M461 PolarHBondContact OD1-N 3.46Å; D458-I462 VanDerWaalsContact O-CG1 3.32Å; D458-I462 WeakPolarHBondContact O-CG1 3.3Å; D458-I462 PolarHBondContact O-N 3.48Å
459	E	87.2	Confident	87.4	Confident	108 Å²	108	51 Å²	51	51%	0.505	27%	0.271	S	S	.	.	H	α-helix	trans	-56.4	-35.5	-179.5	172.8	170.7	-177.9	0	0	112.4	L447 I462 R463	L447-E459 HydrophobicContact CD1-CG 3.98Å; L447-E459 HydrophobicContact CD2-CG 4.49Å; E459-I462 PolarHBondContact O-N 2.67Å; E459-R463 WeakPolarHBondContact O-CG 3.33Å; E459-R463 PolarHBondContact O-N 3.02Å; E459-R463 IonicContact OE1-CZ 3.7Å; E459-R463 IonicContact OE1-NE 2.69Å; E459-R463 PolarHBondContact OE1-NE 2.94Å; E459-R463 IonicContact OE1-NH2 3.39Å; E459-R463 PolarHBondContact OE1-NH2 3.36Å
460	A	87.6	Confident	87.4	Confident	53 Å²	53	47.8 Å²	47.8	44%	0.438	25%	0.25	S	C	.	.	H	α-helix	trans	-66.6	-43.3	178.7	0	0	0	0	0	112.2	D458 R463 K464	D458-A460 PolarHBondContact O-N 2.9Å; A460-R463 PolarHBondContact O-N 2.95Å; A460-K464 WeakPolarHBondContact O-CG 3.39Å; A460-K464 PolarHBondContact O-N 3.29Å
461	M	90.4	Very high	87	Confident	4 Å²	4	51 Å²	51	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-39.9	176	-173.3	65.8	164.2	0	0	111.3	L457 D458 R463 K464 L465 T519 F543 D545 F549	L457-M461 HydrophobicContact CD2-CB 4.42Å; L457-M461 HydrophobicContact CD2-CG 3.68Å; D458-M461 PolarHBondContact O-N 2.79Å; D458-M461 VanDerWaalsContact O-N 3.14Å; D458-M461 WeakPolarHBondContact OD1-CA 3.44Å; D458-M461 WeakPolarHBondContact OD1-CB 3.49Å; D458-M461 PolarHBondContact OD1-N 3.46Å; M461-R463 VanDerWaalsContact C-N 3.33Å; M461-R463 PolarHBondContact O-N 3.36Å; M461-K464 PolarHBondContact O-N 2.79Å; M461-L465 HydrophobicContact CG-CD1 4.03Å; M461-L465 HydrophobicContact CG-CG 4.33Å; M461-L465 WeakPolarHBondContact O-CB 3.32Å; M461-L465 WeakPolarHBondContact O-CG 3.47Å; M461-L465 PolarHBondContact O-N 2.83Å; M461-T519 HydrophobicContact CE-CG2 4.49Å; M461-F543 HydrophobicContact CE-CD2 3.4Å; M461-F543 HydrophobicContact CE-CE2 3.39Å; M461-D545 HydrophobicContact CE-CB 4.14Å; M461-D545 HydrophobicContact SD-CB 4.35Å; M461-F549 HydrophobicContact CE-CD2 3.75Å; M461-F549 HydrophobicContact CE-CE2 3.52Å; M461-F549 HydrophobicContact SD-CD2 3.48Å; M461-F549 WeakPolarHBondContact SD-CD2 3.37Å; M461-F549 HydrophobicContact SD-CE2 3.49Å; M461-F549 WeakPolarHBondContact SD-CE2 3.34Å
462	I	91.4	Very high	86.6	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-48.3	175.1	-67.5	168.1	0	0	0	110.1	L447 C451 L457 D458 E459 K464 L465 I466	L447-I462 HydrophobicContact CD2-CG2 4.11Å; C451-I462 HydrophobicContact CB-CD1 4.16Å; C451-I462 HydrophobicContact CB-CG2 3.99Å; C451-I462 WeakPolarHBondContact O-CD1 3.46Å; L457-I462 HydrophobicContact CB-CD1 4.15Å; L457-I462 HydrophobicContact CB-CG1 3.66Å; L457-I462 HydrophobicContact CD1-CG1 4.25Å; D458-I462 VanDerWaalsContact O-CG1 3.32Å; D458-I462 WeakPolarHBondContact O-CG1 3.3Å; D458-I462 PolarHBondContact O-N 3.48Å; E459-I462 PolarHBondContact O-N 2.67Å; I462-K464 VanDerWaalsContact C-N 3.35Å; I462-K464 PolarHBondContact O-N 2.82Å; I462-L465 PolarHBondContact O-N 2.65Å; I462-L465 VanDerWaalsContact O-N 3.13Å; I462-I466 HydrophobicContact CG2-CD1 3.83Å; I462-I466 HydrophobicContact CG2-CG1 4.36Å; I462-I466 VanDerWaalsContact O-CG1 3.3Å; I462-I466 WeakPolarHBondContact O-CG1 3.26Å; I462-I466 PolarHBondContact O-N 3.41Å
463	R	88.7	Confident	86.7	Confident	73 Å²	73	48 Å²	48	28%	0.275	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-44.7	178	-70.8	176.5	-173.7	-74.4	-0.6	112	H445 L447 E459 A460 M461 L465 I466 D467	H445-R463 PolarHBondContact O-NH1 3.49Å; H445-R463 PolarHBondContact O-NH2 3.04Å; L447-R463 HydrophobicContact CD2-CG 3.81Å; E459-R463 WeakPolarHBondContact O-CG 3.33Å; E459-R463 PolarHBondContact O-N 3.02Å; E459-R463 IonicContact OE1-CZ 3.7Å; E459-R463 IonicContact OE1-NE 2.69Å; E459-R463 PolarHBondContact OE1-NE 2.94Å; E459-R463 IonicContact OE1-NH2 3.39Å; E459-R463 PolarHBondContact OE1-NH2 3.36Å; A460-R463 PolarHBondContact O-N 2.95Å; M461-R463 VanDerWaalsContact C-N 3.33Å; M461-R463 PolarHBondContact O-N 3.36Å; R463-L465 PolarHBondContact O-N 2.54Å; R463-I466 PolarHBondContact O-N 3.03Å; R463-D467 PolarHBondContact O-N 3.35Å
464	K	90.4	Very high	86.5	Confident	80 Å²	80	45.9 Å²	45.9	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-39.3	175.1	-66.6	171	-173	166.4	0	112.5	A460 M461 I462 D467 V468 D545 F549	A460-K464 WeakPolarHBondContact O-CG 3.39Å; A460-K464 PolarHBondContact O-N 3.29Å; M461-K464 PolarHBondContact O-N 2.79Å; I462-K464 VanDerWaalsContact C-N 3.35Å; I462-K464 PolarHBondContact O-N 2.82Å; K464-D467 PolarHBondContact O-N 3.16Å; K464-V468 VanDerWaalsContact O-CG2 3.27Å; K464-V468 WeakPolarHBondContact O-CG2 3.39Å; K464-V468 PolarHBondContact O-N 3.38Å; K464-D545 IonicContact NZ-OD1 2.79Å; K464-F549 HydrophobicContact CB-CD1 4.22Å; K464-F549 HydrophobicContact CB-CE1 3.85Å; K464-F549 HydrophobicContact CB-CE2 4.18Å; K464-F549 HydrophobicContact CB-CZ 3.82Å; K464-F549 HydrophobicContact CD-CB 3.98Å; K464-F549 HydrophobicContact CD-CD1 3.93Å; K464-F549 HydrophobicContact CD-CD2 3.99Å; K464-F549 HydrophobicContact CD-CE1 4.39Å; K464-F549 HydrophobicContact CD-CE2 4.45Å; K464-F549 HydrophobicContact CD-CG 3.69Å; K464-F549 HydrophobicContact CG-CD1 4.43Å
465	L	92	Very high	85.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-37	178.5	-74.4	171.9	0	0	0	111.5	L457 M461 I462 R463 D467 V468 L469 W478 L509 F543 F549	L457-L465 HydrophobicContact CD1-CD1 3.7Å; L457-L465 HydrophobicContact CD2-CD1 3.67Å; L457-L465 HydrophobicContact CG-CD1 4.34Å; M461-L465 HydrophobicContact CG-CD1 4.03Å; M461-L465 HydrophobicContact CG-CG 4.33Å; M461-L465 WeakPolarHBondContact O-CB 3.32Å; M461-L465 WeakPolarHBondContact O-CG 3.47Å; M461-L465 PolarHBondContact O-N 2.83Å; I462-L465 PolarHBondContact O-N 2.65Å; I462-L465 VanDerWaalsContact O-N 3.13Å; R463-L465 PolarHBondContact O-N 2.54Å; L465-D467 VanDerWaalsContact C-N 3.29Å; L465-D467 PolarHBondContact O-N 2.91Å; L465-V468 CarbonylContact O-C 3.33Å; L465-V468 PolarHBondContact O-N 2.83Å; L465-L469 WeakPolarHBondContact O-CG 3.42Å; L465-L469 PolarHBondContact O-N 3.34Å; L465-W478 HydrophobicContact CB-CH2 4.08Å; L465-W478 HydrophobicContact CD1-CH2 4.23Å; L465-L509 HydrophobicContact CD1-CD2 4.32Å; L465-F543 HydrophobicContact CD2-CD1 3.94Å; L465-F543 HydrophobicContact CD2-CD2 4.05Å; L465-F543 HydrophobicContact CD2-CE1 3.98Å; L465-F543 HydrophobicContact CD2-CE2 4.09Å; L465-F543 HydrophobicContact CD2-CG 3.98Å; L465-F543 HydrophobicContact CD2-CZ 4.05Å; L465-F549 HydrophobicContact CD2-CE2 4.41Å; L465-F549 HydrophobicContact CD2-CZ 4.44Å
466	I	88.1	Confident	85.3	Confident	28 Å²	28	49.5 Å²	49.5	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-43.3	174.2	-69.2	164.4	0	0	0	110.9	L447 P448 I462 R463 V468 L469 Q474 W478	L447-I466 HydrophobicContact CD2-CD1 4.41Å; P448-I466 HydrophobicContact CG-CD1 3.91Å; P448-I466 HydrophobicContact CG-CG1 4.5Å; I462-I466 HydrophobicContact CG2-CD1 3.83Å; I462-I466 HydrophobicContact CG2-CG1 4.36Å; I462-I466 VanDerWaalsContact O-CG1 3.3Å; I462-I466 WeakPolarHBondContact O-CG1 3.26Å; I462-I466 PolarHBondContact O-N 3.41Å; R463-I466 PolarHBondContact O-N 3.03Å; I466-V468 PolarHBondContact O-N 2.81Å; I466-L469 PolarHBondContact O-N 2.95Å; I466-Q474 HydrophobicContact CG2-CB 4.33Å; I466-Q474 WeakPolarHBondContact O-CG 3.46Å; I466-Q474 PolarHBondContact O-NE2 2.82Å; I466-W478 HydrophobicContact CG1-CZ2 4.13Å
467	D	85.8	Confident	84.8	Confident	126 Å²	126	50.7 Å²	50.7	67%	0.674	27%	0.273	S	S	*	.	H	α-helix	trans	-64.7	-23.4	177.3	-65.3	-24.9	0	0	0	113.2	R463 K464 L465	R463-D467 PolarHBondContact O-N 3.35Å; K464-D467 PolarHBondContact O-N 3.16Å; L465-D467 VanDerWaalsContact C-N 3.29Å; L465-D467 PolarHBondContact O-N 2.91Å
468	V	88.6	Confident	84.7	Confident	17 Å²	17	50.4 Å²	50.4	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-95.2	-24.6	-176.5	176.8	0	0	0	0	112.2	K464 L465 I466 I523 L541 F549 V551	K464-V468 VanDerWaalsContact O-CG2 3.27Å; K464-V468 WeakPolarHBondContact O-CG2 3.39Å; K464-V468 PolarHBondContact O-N 3.38Å; L465-V468 CarbonylContact O-C 3.33Å; L465-V468 PolarHBondContact O-N 2.83Å; I466-V468 PolarHBondContact O-N 2.81Å; V468-I523 HydrophobicContact CG1-CD1 4.12Å; V468-L541 HydrophobicContact CG1-CD1 3.88Å; V468-L541 HydrophobicContact CG1-CD2 3.49Å; V468-L541 VanDerWaalsContact CG1-CD2 3.49Å; V468-L541 HydrophobicContact CG1-CG 4.34Å; V468-F549 HydrophobicContact CG2-CE1 4.11Å; V468-F549 HydrophobicContact CG2-CZ 4.14Å; V468-V551 HydrophobicContact CG1-CG1 3.68Å; V468-V551 HydrophobicContact CG1-CG2 4.05Å; V468-V551 HydrophobicContact CG2-CG2 3.65Å
469	L	86.7	Confident	84.8	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	-59.6	144.9	177.1	-78.8	171.4	0	0	0	110.8	L465 I466 A471 A473 Q474 W478 I523 F618	L465-L469 WeakPolarHBondContact O-CG 3.42Å; L465-L469 PolarHBondContact O-N 3.34Å; I466-L469 PolarHBondContact O-N 2.95Å; L469-A471 PolarHBondContact O-N 3.4Å; L469-A473 HydrophobicContact CB-CB 4.36Å; L469-A473 HydrophobicContact CD2-CB 4.44Å; L469-Q474 HydrophobicContact CB-CG 4.12Å; L469-Q474 PolarHBondContact O-NE2 2.99Å; L469-W478 HydrophobicContact CD1-CZ2 3.64Å; L469-I523 HydrophobicContact CD2-CD1 3.74Å; L469-I523 HydrophobicContact CD2-CG1 4.23Å; L469-I523 HydrophobicContact CD2-CG2 4.27Å; L469-I523 HydrophobicContact CG-CD1 4.28Å; L469-F618 HydrophobicContact CD1-CD1 4.46Å; L469-F618 HydrophobicContact CD1-CE1 3.54Å; L469-F618 HydrophobicContact CD1-CZ 3.6Å; L469-F618 HydrophobicContact CD2-CE1 4.16Å; L469-F618 HydrophobicContact CD2-CE2 3.66Å; L469-F618 HydrophobicContact CD2-CZ 3.38Å; L469-F618 HydrophobicContact CG-CZ 4.17Å
470	P	78.8	Confident	85	Confident	22 Å²	22	43.3 Å²	43.3	14%	0.143	24%	0.238	C	C	.	.			trans	-51.4	141	169.9	-26.3	35	0	0	0	110.4	R472 A473 Q474 P507	P470-R472 HydrophobicContact CB-CG 4.03Å; P470-R472 PolarHBondContact O-N 3.46Å; P470-A473 PolarHBondContact O-N 2.52Å; P470-Q474 PolarHBondContact O-N 3.38Å; P470-P507 HydrophobicContact CG-CG 4.1Å
471	A	72.7	Confident	85.2	Confident	83 Å²	83	41.3 Å²	41.3	69%	0.686	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	-35.1	-175.6	0	0	0	0	0	113.3	L469 A473	L469-A471 PolarHBondContact O-N 3.4Å; A471-A473 VanDerWaalsContact C-N 3.27Å; A471-A473 PolarHBondContact O-N 3.43Å
472	R	74.2	Confident	85.4	Confident	99 Å²	99	41.1 Å²	41.1	37%	0.374	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.7	175.7	60.9	-174.6	172.8	123.3	-7.3	114.4	P470 Y476 S506 E539	P470-R472 HydrophobicContact CB-CG 4.03Å; P470-R472 PolarHBondContact O-N 3.46Å; R472-Y476 WeakPolarHBondContact O-CD2 3.42Å; R472-Y476 WeakPolarHBondContact O-CE2 3.32Å; R472-S506 PolarHBondContact NH1-O 2.99Å; R472-S506 PolarHBondContact NH1-OG 3.1Å; R472-S506 VanDerWaalsContact NH1-OG 3.11Å; R472-S506 PolarHBondContact NH2-OG 3.36Å; R472-E539 IonicContact CZ-OE1 3.54Å; R472-E539 IonicContact CZ-OE2 3.05Å; R472-E539 IonicContact NE-OE1 3.56Å; R472-E539 PolarHBondContact NE-OE1 3.16Å; R472-E539 IonicContact NH2-OE1 3.88Å; R472-E539 PolarHBondContact NH2-OE1 3.23Å; R472-E539 IonicContact NH2-OE2 2.8Å; R472-E539 PolarHBondContact NH2-OE2 3.35Å
473	A	81.5	Confident	85.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-15.1	-175.3	0	0	0	0	0	114.3	L469 P470 A471 S475 Y476 P507 F618	L469-A473 HydrophobicContact CB-CB 4.36Å; L469-A473 HydrophobicContact CD2-CB 4.44Å; P470-A473 PolarHBondContact O-N 2.52Å; A471-A473 VanDerWaalsContact C-N 3.27Å; A471-A473 PolarHBondContact O-N 3.43Å; A473-S475 PolarHBondContact O-N 2.83Å; A473-Y476 PolarHBondContact O-N 3.49Å; A473-P507 HydrophobicContact CB-CG 3.8Å; A473-F618 HydrophobicContact CB-CB 4.25Å; A473-F618 HydrophobicContact CB-CD1 4.19Å; A473-F618 HydrophobicContact CB-CD2 3.97Å; A473-F618 HydrophobicContact CB-CE2 4.48Å; A473-F618 HydrophobicContact CB-CG 3.85Å
474	Q	79.6	Confident	85.8	Confident	75 Å²	75	37.6 Å²	37.6	35%	0.35	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.9	-171.6	-63.1	-176.4	-13.7	0	0	113.7	I466 L469 P470	I466-Q474 HydrophobicContact CG2-CB 4.33Å; I466-Q474 WeakPolarHBondContact O-CG 3.46Å; I466-Q474 PolarHBondContact O-NE2 2.82Å; L469-Q474 HydrophobicContact CB-CG 4.12Å; L469-Q474 PolarHBondContact O-NE2 2.99Å; P470-Q474 PolarHBondContact O-N 3.38Å
475	S	72.8	Confident	85.8	Confident	92 Å²	92	35.5 Å²	35.5	64%	0.643	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-2.9	-178.2	61	0	0	0	0	114.3	A473	A473-S475 PolarHBondContact O-N 2.83Å
476	Y	80.2	Confident	85.8	Confident	62 Å²	62	38.6 Å²	38.6	24%	0.243	21%	0.214	C	C	.	.	S	Bend	trans	-82.7	148.9	-177.7	-71.6	-31.1	0	0	0	111.9	R472 A473 W478 F618 L620	R472-Y476 WeakPolarHBondContact O-CD2 3.42Å; R472-Y476 WeakPolarHBondContact O-CE2 3.32Å; A473-Y476 PolarHBondContact O-N 3.49Å; Y476-W478 PolarHBondContact O-N 3.28Å; Y476-F618 HydrophobicContact CD2-CB 4.27Å; Y476-L620 HydrophobicContact CD2-CG 4.2Å; Y476-L620 HydrophobicContact CE1-CD2 4.45Å; Y476-L620 HydrophobicContact CE1-CG 4.29Å; Y476-L620 HydrophobicContact CE2-CD1 4Å; Y476-L620 HydrophobicContact CE2-CD2 3.88Å; Y476-L620 HydrophobicContact CE2-CG 3.43Å; Y476-L620 VanDerWaalsContact CE2-CG 3.43Å; Y476-L620 WeakPolarHBondContact OH-CD2 3.48Å
477	P	84	Confident	85.9	Confident	28 Å²	28	39.1 Å²	39.1	18%	0.182	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-55.6	133.8	168.9	22.3	-32.5	0	0	0	110.2	P449 R619	P449-P477 HydrophobicContact CG-CB 4.09Å; P449-P477 WeakPolarHBondContact O-CA 3.42Å; P477-R619 HydrophobicContact CG-CB 4.19Å; P477-R619 PolarHBondContact O-N 2.79Å
478	W	89.7	Confident	86.1	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.2	171.1	-71.7	45.3	0	0	0	107.7	P449 G450 C451 L457 L465 I466 L469 Y476 L509 W616 F618	P449-W478 PolarHBondContact O-N 3.16Å; G450-W478 WeakPolarHBondContact CA-O 3.42Å; C451-W478 HydrophobicContact CB-CB 4.22Å; C451-W478 HydrophobicContact CB-CD2 3.92Å; C451-W478 HydrophobicContact CB-CE3 4.24Å; C451-W478 HydrophobicContact CB-CG 3.92Å; L457-W478 HydrophobicContact CD1-CH2 4.23Å; L457-W478 HydrophobicContact CD1-CZ3 3.67Å; L465-W478 HydrophobicContact CB-CH2 4.08Å; L465-W478 HydrophobicContact CD1-CH2 4.23Å; I466-W478 HydrophobicContact CG1-CZ2 4.13Å; L469-W478 HydrophobicContact CD1-CZ2 3.64Å; Y476-W478 PolarHBondContact O-N 3.28Å; W478-L509 HydrophobicContact CE3-CD2 4.13Å; W478-L509 HydrophobicContact CH2-CD2 3.47Å; W478-L509 VanDerWaalsContact CH2-CD2 3.47Å; W478-L509 HydrophobicContact CZ3-CD2 3.23Å; W478-W616 HydrophobicContact CB-CE3 3.88Å; W478-W616 HydrophobicContact CB-CZ3 4.14Å; W478-W616 HydrophobicContact CE3-CB 4.45Å; W478-W616 HydrophobicContact CE3-CD2 4Å; W478-W616 HydrophobicContact CE3-CE3 4.09Å; W478-W616 HydrophobicContact CE3-CG 4.17Å; W478-F618 AromaticContact CD1-CD1 3.97Å; W478-F618 AromaticContact CD1-CE1 3.7Å; W478-F618 AromaticContact CD2-CE1 3.78Å; W478-F618 HydrophobicContact CD2-CE1 3.78Å; W478-F618 HydrophobicContact CD2-CZ 4.46Å; W478-F618 AromaticContact CE2-CE1 3.6Å; W478-F618 HydrophobicContact CG-CD1 4.3Å; W478-F618 AromaticContact CG-CE1 3.86Å; W478-F618 HydrophobicContact CG-CE1 3.86Å; W478-F618 HydrophobicContact CZ2-CE1 4.18Å; W478-F618 AromaticContact NE1-CE1 3.54Å
479	V	89.6	Confident	86.3	Confident	27 Å²	27	33 Å²	33	16%	0.164	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.5	178.1	-179.4	0	0	0	0	108.1	V481 W616 C617 R619	V479-V481 WeakPolarHBondContact O-CG2 3.32Å; V479-V481 PolarHBondContact O-N 2.97Å; V479-V481 VanDerWaalsContact O-N 3.12Å; V479-W616 WeakPolarHBondContact O-CA 3.49Å; V479-C617 PolarHBondContact N-O 2.99Å; V479-C617 PolarHBondContact O-N 3.37Å; V479-R619 HydrophobicContact CG2-CB 3.8Å
480	L	92.1	Very high	86.6	Confident	28 Å²	28	33.3 Å²	33.3	15%	0.147	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	105.4	173.5	-176.4	56	0	0	0	109.1	Y482 L486 E614 W616	L480-Y482 WeakPolarHBondContact CD1-O 3.44Å; L480-L486 HydrophobicContact CD2-CD1 4.09Å; L480-E614 HydrophobicContact CD1-CB 4.13Å; L480-E614 HydrophobicContact CD1-CG 4.12Å; L480-W616 HydrophobicContact CB-CD2 4.42Å; L480-W616 HydrophobicContact CB-CE3 3.87Å; L480-W616 HydrophobicContact CB-CH2 3.71Å; L480-W616 HydrophobicContact CB-CZ2 4.26Å; L480-W616 HydrophobicContact CB-CZ3 3.5Å; L480-W616 HydrophobicContact CD1-CD2 3.99Å; L480-W616 HydrophobicContact CD1-CE3 4.3Å; L480-W616 HydrophobicContact CD1-CH2 3.98Å; L480-W616 HydrophobicContact CD1-CZ2 3.62Å; L480-W616 HydrophobicContact CD1-CZ3 4.32Å; L480-W616 HydrophobicContact CD2-CH2 4.24Å; L480-W616 HydrophobicContact CD2-CZ2 4.41Å; L480-W616 HydrophobicContact CG-CH2 4.18Å; L480-W616 HydrophobicContact CG-CZ2 4.3Å; L480-W616 HydrophobicContact CG-CZ3 4.4Å
481	V	92.1	Very high	87.4	Confident	11 Å²	11	32.2 Å²	32.2	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-40.4	-179	-178.3	0	0	0	0	110.7	V479 M497 M498 L501 A615 C617	V479-V481 WeakPolarHBondContact O-CG2 3.32Å; V479-V481 PolarHBondContact O-N 2.97Å; V479-V481 VanDerWaalsContact O-N 3.12Å; V481-M497 HydrophobicContact CG1-CB 4.04Å; V481-M498 HydrophobicContact CB-CE 3.9Å; V481-M498 HydrophobicContact CB-SD 4.41Å; V481-M498 HydrophobicContact CG1-CE 3.9Å; V481-M498 HydrophobicContact CG1-CG 4.2Å; V481-M498 HydrophobicContact CG1-SD 3.9Å; V481-M498 HydrophobicContact CG2-CE 4.32Å; V481-L501 HydrophobicContact CB-CD1 3.93Å; V481-L501 HydrophobicContact CG1-CD1 3.44Å; V481-L501 VanDerWaalsContact CG1-CD1 3.44Å; V481-L501 HydrophobicContact CG1-CG 4.35Å; V481-L501 HydrophobicContact CG2-CD1 3.28Å; V481-A615 WeakPolarHBondContact CB-O 3.24Å; V481-A615 PolarHBondContact N-O 2.86Å; V481-C617 HydrophobicContact CG2-CB 3.58Å; V481-C617 VanDerWaalsContact CG2-SG 3.58Å
482	Y	94.3	Very high	88.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	132.8	-178.3	173.5	-97	0	0	0	110.3	L480 H487 G488 A490 T493 M494 F586 V613 E614 A615	L480-Y482 WeakPolarHBondContact CD1-O 3.44Å; Y482-H487 WeakPolarHBondContact CA-ND1 3.08Å; Y482-H487 HydrophobicContact CD2-CB 3.7Å; Y482-H487 AromaticContact CD2-ND1 3.74Å; Y482-H487 HydrophobicContact CE2-CB 3.66Å; Y482-G488 PolarHBondContact OH-O 2.87Å; Y482-A490 PolarHBondContact OH-N 3.37Å; Y482-T493 HydrophobicContact CD2-CG2 4.43Å; Y482-T493 HydrophobicContact CE2-CG2 4.09Å; Y482-M494 HydrophobicContact CD1-CB 3.86Å; Y482-M494 HydrophobicContact CD1-CG 3.69Å; Y482-M494 HydrophobicContact CD1-SD 3.98Å; Y482-M494 HydrophobicContact CD2-CB 3.85Å; Y482-M494 HydrophobicContact CD2-CG 4.27Å; Y482-M494 HydrophobicContact CE1-CB 4Å; Y482-M494 HydrophobicContact CE1-CG 4.25Å; Y482-M494 HydrophobicContact CE1-SD 4.36Å; Y482-M494 HydrophobicContact CE2-CB 4.03Å; Y482-M494 HydrophobicContact CG-CB 3.77Å; Y482-M494 HydrophobicContact CG-CG 3.69Å; Y482-F586 HydrophobicContact CE1-CD2 4.1Å; Y482-F586 AromaticContact CE1-CE2 3.56Å; Y482-F586 HydrophobicContact CE1-CE2 3.56Å; Y482-F586 HydrophobicContact CE1-CZ 4.22Å; Y482-F586 AromaticContact CZ-CD2 3.98Å; Y482-F586 AromaticContact CZ-CE2 3.59Å; Y482-F586 WeakPolarHBondContact OH-CD2 3.09Å; Y482-F586 WeakPolarHBondContact OH-CE2 3.5Å; Y482-V613 HydrophobicContact CE1-CB 4.38Å; Y482-V613 HydrophobicContact CE1-CG1 4.3Å; Y482-E614 CarbonylContact O-C 3.45Å; Y482-E614 VanDerWaalsContact O-CA 3.27Å; Y482-E614 WeakPolarHBondContact O-CA 3.37Å; Y482-A615 PolarHBondContact N-O 2.81Å; Y482-A615 VanDerWaalsContact N-O 3.09Å; Y482-A615 PolarHBondContact O-N 3.28Å
483	S	95.1	Very high	89.4	Confident	2 Å²	2	27 Å²	27	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.6	166.2	168.6	0	0	0	0	107.5	E485 L486 H487 V613	S483-E485 PolarHBondContact O-N 2.98Å; S483-E485 WeakPolarHBondContact OG-CB 3.49Å; S483-E485 PolarHBondContact OG-N 3.42Å; S483-L486 PolarHBondContact O-N 2.76Å; S483-L486 VanDerWaalsContact O-N 3.13Å; S483-H487 PolarHBondContact N-ND1 3.37Å; S483-H487 WeakPolarHBondContact O-CB 3.37Å; S483-H487 PolarHBondContact O-N 2.88Å; S483-V613 CarbonylContact C-O 3.48Å; S483-V613 WeakPolarHBondContact CA-O 3.24Å
484	S	93.9	Very high	90.1	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-21.9	174.9	64.6	0	0	0	0	112.3	G488 F489 A612 V613	S484-G488 WeakPolarHBondContact CA-O 3.38Å; S484-G488 WeakPolarHBondContact O-CA 3.35Å; S484-G488 PolarHBondContact O-N 3.27Å; S484-F489 WeakPolarHBondContact OG-CZ 3.49Å; S484-A612 WeakPolarHBondContact OG-CA 3.42Å; S484-V613 PolarHBondContact N-O 3.21Å; S484-V613 PolarHBondContact OG-N 3.42Å; S484-V613 PolarHBondContact OG-O 3.17Å
485	E	90.7	Very high	90.8	Very high	36 Å²	36	24.3 Å²	24.3	17%	0.168	14%	0.138	C	C	.	.	H	α-helix	trans	-74.4	-30	175.9	-168.4	170.9	175.9	0	0	112.4	T135 N137 C138 T455 S483	T135-E485 WeakPolarHBondContact CB-O 3.32Å; T135-E485 WeakPolarHBondContact CG2-O 3.36Å; T135-E485 PolarHBondContact OG1-O 3.27Å; N137-E485 PolarHBondContact ND2-OE1 3.37Å; C138-E485 PolarHBondContact SG-O 3.33Å; T455-E485 WeakPolarHBondContact CB-OE2 3.25Å; T455-E485 WeakPolarHBondContact CG2-OE2 3.17Å; T455-E485 PolarHBondContact OG1-OE2 3.28Å; S483-E485 PolarHBondContact O-N 2.98Å; S483-E485 WeakPolarHBondContact OG-CB 3.49Å; S483-E485 PolarHBondContact OG-N 3.42Å
486	L	91.3	Very high	91.7	Very high	66 Å²	66	24.7 Å²	24.7	35%	0.346	13%	0.125	S	C	.	.	H	α-helix	trans	-100	-36.5	-178.6	-60.9	178.8	0	0	0	113.1	N137 C138 L480 S483	N137-L486 HydrophobicContact CB-CD2 3.98Å; C138-L486 PolarHBondContact SG-O 3.38Å; C138-L486 VanDerWaalsContact SG-O 3.38Å; L480-L486 HydrophobicContact CD2-CD1 4.09Å; S483-L486 PolarHBondContact O-N 2.76Å; S483-L486 VanDerWaalsContact O-N 3.13Å
487	H	90.9	Very high	92.3	Very high	39 Å²	39	23.3 Å²	23.3	18%	0.181	12%	0.121	C	C	.	.	H	α-helix	trans	-117.2	9.6	-169.3	-50.1	140.3	0	0	0	113.4	M140 Y482 S483 T493 M497	M140-H487 WeakPolarHBondContact CE-O 3.19Å; Y482-H487 WeakPolarHBondContact CA-ND1 3.08Å; Y482-H487 HydrophobicContact CD2-CB 3.7Å; Y482-H487 AromaticContact CD2-ND1 3.74Å; Y482-H487 HydrophobicContact CE2-CB 3.66Å; S483-H487 PolarHBondContact N-ND1 3.37Å; S483-H487 WeakPolarHBondContact O-CB 3.37Å; S483-H487 PolarHBondContact O-N 2.88Å; H487-T493 HydrophobicContact CB-CG2 4.06Å; H487-M497 HydrophobicContact CB-CE 4.5Å
488	G	90.3	Very high	92.6	Very high	2 Å²	2	22 Å²	22	2%	0.021	11%	0.113	C	C	.	.			trans	76.5	177.5	174.3	0	0	0	0	0	112.9	M140 Y482 S484 A490	M140-G488 WeakPolarHBondContact SD-CA 3.38Å; M140-G488 PolarHBondContact SD-N 2.9Å; Y482-G488 PolarHBondContact OH-O 2.87Å; S484-G488 WeakPolarHBondContact CA-O 3.38Å; S484-G488 WeakPolarHBondContact O-CA 3.35Å; S484-G488 PolarHBondContact O-N 3.27Å; G488-A490 PolarHBondContact O-N 3.17Å
489	F	91.9	Very high	92.5	Very high	13 Å²	13	26.6 Å²	26.6	6%	0.057	15%	0.145	C	C	.	.	S	Bend	trans	-101.4	71.3	-171.3	-74.3	-97.5	0	0	0	111	F113 L133 S484 D585 F586	F113-F489 HydrophobicContact CB-CE2 4.11Å; F113-F489 HydrophobicContact CD1-CD2 4.38Å; F113-F489 HydrophobicContact CD1-CE1 4.17Å; F113-F489 AromaticContact CD1-CE2 3.39Å; F113-F489 HydrophobicContact CD1-CE2 3.39Å; F113-F489 AromaticContact CD1-CZ 3.25Å; F113-F489 HydrophobicContact CD1-CZ 3.25Å; F113-F489 HydrophobicContact CD2-CD2 4.04Å; F113-F489 AromaticContact CD2-CE2 3.76Å; F113-F489 HydrophobicContact CD2-CE2 3.76Å; F113-F489 HydrophobicContact CD2-CZ 4.33Å; F113-F489 HydrophobicContact CE1-CD1 4.38Å; F113-F489 HydrophobicContact CE1-CD2 4.38Å; F113-F489 AromaticContact CE1-CE1 3.59Å; F113-F489 HydrophobicContact CE1-CE1 3.59Å; F113-F489 AromaticContact CE1-CE2 3.61Å; F113-F489 HydrophobicContact CE1-CE2 3.61Å; F113-F489 AromaticContact CE1-CZ 3.14Å; F113-F489 HydrophobicContact CE1-CZ 3.14Å; F113-F489 HydrophobicContact CE2-CD2 4.03Å; F113-F489 AromaticContact CE2-CE2 3.95Å; F113-F489 HydrophobicContact CE2-CE2 3.95Å; F113-F489 HydrophobicContact CE2-CG 4.41Å; F113-F489 HydrophobicContact CE2-CZ 4.23Å; F113-F489 HydrophobicContact CG-CD2 4.22Å; F113-F489 AromaticContact CG-CE2 3.47Å; F113-F489 HydrophobicContact CG-CE2 3.47Å; F113-F489 VanDerWaalsContact CG-CE2 3.47Å; F113-F489 AromaticContact CG-CZ 3.87Å; F113-F489 HydrophobicContact CG-CZ 3.87Å; F113-F489 HydrophobicContact CZ-CD1 4.16Å; F113-F489 HydrophobicContact CZ-CD2 4.2Å; F113-F489 AromaticContact CZ-CE1 3.81Å; F113-F489 HydrophobicContact CZ-CE1 3.81Å; F113-F489 AromaticContact CZ-CE2 3.87Å; F113-F489 HydrophobicContact CZ-CE2 3.87Å; F113-F489 HydrophobicContact CZ-CG 4.35Å; F113-F489 AromaticContact CZ-CZ 3.67Å; F113-F489 HydrophobicContact CZ-CZ 3.67Å; L133-F489 HydrophobicContact CD2-CD2 4.4Å; S484-F489 WeakPolarHBondContact OG-CZ 3.49Å; F489-D585 WeakPolarHBondContact CB-O 3.43Å; F489-D585 CarbonylContact O-C 3.59Å; F489-F586 HydrophobicContact CB-CB 4.42Å; F489-F586 HydrophobicContact CD1-CB 3.97Å; F489-F586 WeakPolarHBondContact CD1-O 3.15Å
490	A	93.2	Very high	92.1	Very high	9 Å²	9	29 Å²	29	7%	0.074	16%	0.164	C	C	.	.			trans	-145.1	120.9	179.5	0	0	0	0	0	111.8	Y482 G488 S492 T493 M494	Y482-A490 PolarHBondContact OH-N 3.37Å; G488-A490 PolarHBondContact O-N 3.17Å; A490-S492 VanDerWaalsContact C-N 3.28Å; A490-S492 PolarHBondContact O-N 3.45Å; A490-T493 WeakPolarHBondContact O-CB 3.38Å; A490-T493 PolarHBondContact O-N 3.32Å; A490-T493 VanDerWaalsContact O-N 3.1Å; A490-M494 PolarHBondContact O-N 3.22Å
491	L	96	Very high	91.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-37	177.9	178.3	60.5	0	0	0	112.2	T493 M494 Y495 S568 L569 S584 F586	L491-T493 VanDerWaalsContact C-N 3.28Å; L491-T493 PolarHBondContact O-N 2.96Å; L491-M494 HydrophobicContact CD1-CE 3.42Å; L491-M494 VanDerWaalsContact CD1-CE 3.42Å; L491-M494 WeakPolarHBondContact O-CB 3.13Å; L491-M494 PolarHBondContact O-N 3.02Å; L491-M494 VanDerWaalsContact O-N 3.16Å; L491-Y495 HydrophobicContact CD1-CD2 4.39Å; L491-Y495 HydrophobicContact CD1-CE1 4.24Å; L491-Y495 HydrophobicContact CD1-CE2 3.82Å; L491-Y495 HydrophobicContact CD2-CE2 3.83Å; L491-Y495 HydrophobicContact CG-CD2 4.06Å; L491-Y495 HydrophobicContact CG-CE2 3.47Å; L491-Y495 VanDerWaalsContact CG-CE2 3.47Å; L491-Y495 WeakPolarHBondContact O-CD2 3.33Å; L491-Y495 PolarHBondContact O-N 3.3Å; L491-S568 VanDerWaalsContact CD2-C 3.44Å; L491-L569 HydrophobicContact CD1-CB 3.93Å; L491-L569 HydrophobicContact CD1-CD2 4.33Å; L491-L569 HydrophobicContact CD2-CB 4.09Å; L491-S584 WeakPolarHBondContact CB-O 3.35Å; L491-S584 PolarHBondContact N-O 3.28Å; L491-F586 VanDerWaalsContact CA-CE2 3.41Å; L491-F586 HydrophobicContact CB-CE1 4.42Å; L491-F586 HydrophobicContact CB-CE2 4.11Å; L491-F586 HydrophobicContact CB-CZ 3.97Å; L491-F586 HydrophobicContact CD1-CE1 3.92Å; L491-F586 HydrophobicContact CD1-CE2 4.35Å; L491-F586 HydrophobicContact CD1-CZ 3.49Å; L491-F586 VanDerWaalsContact CD1-CZ 3.49Å; L491-F586 HydrophobicContact CG-CZ 4.35Å
492	S	94.2	Very high	89.9	Confident	63 Å²	63	37.4 Å²	37.4	44%	0.441	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-39.4	174.7	59.2	0	0	0	0	112.2	A490 Y495 R496	A490-S492 VanDerWaalsContact C-N 3.28Å; A490-S492 PolarHBondContact O-N 3.45Å; S492-Y495 PolarHBondContact O-N 3.11Å; S492-R496 PolarHBondContact O-N 3.29Å
493	T	94.3	Very high	88.2	Confident	10 Å²	10	45 Å²	45	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-67.2	-41.3	175.7	-66.8	0	0	0	0	111.1	Y482 H487 A490 L491 Y495 R496 M497	Y482-T493 HydrophobicContact CD2-CG2 4.43Å; Y482-T493 HydrophobicContact CE2-CG2 4.09Å; H487-T493 HydrophobicContact CB-CG2 4.06Å; A490-T493 WeakPolarHBondContact O-CB 3.38Å; A490-T493 PolarHBondContact O-N 3.32Å; A490-T493 VanDerWaalsContact O-N 3.1Å; L491-T493 VanDerWaalsContact C-N 3.28Å; L491-T493 PolarHBondContact O-N 2.96Å; T493-Y495 PolarHBondContact O-N 3.37Å; T493-R496 PolarHBondContact O-N 3.45Å; T493-R496 PolarHBondContact OG1-NH2 2.92Å; T493-M497 HydrophobicContact CG2-CG 4.49Å; T493-M497 WeakPolarHBondContact O-CG 3.49Å; T493-M497 PolarHBondContact O-N 3.42Å
494	M	95.4	Very high	86.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-46.1	174	-174.4	-176.2	76.1	0	0	111.9	Y482 A490 L491 R496 M497 M498 L510 F528 L569 F586 A615	Y482-M494 HydrophobicContact CD1-CB 3.86Å; Y482-M494 HydrophobicContact CD1-CG 3.69Å; Y482-M494 HydrophobicContact CD1-SD 3.98Å; Y482-M494 HydrophobicContact CD2-CB 3.85Å; Y482-M494 HydrophobicContact CD2-CG 4.27Å; Y482-M494 HydrophobicContact CE1-CB 4Å; Y482-M494 HydrophobicContact CE1-CG 4.25Å; Y482-M494 HydrophobicContact CE1-SD 4.36Å; Y482-M494 HydrophobicContact CE2-CB 4.03Å; Y482-M494 HydrophobicContact CG-CB 3.77Å; Y482-M494 HydrophobicContact CG-CG 3.69Å; A490-M494 PolarHBondContact O-N 3.22Å; L491-M494 HydrophobicContact CD1-CE 3.42Å; L491-M494 VanDerWaalsContact CD1-CE 3.42Å; L491-M494 WeakPolarHBondContact O-CB 3.13Å; L491-M494 PolarHBondContact O-N 3.02Å; L491-M494 VanDerWaalsContact O-N 3.16Å; M494-R496 VanDerWaalsContact C-N 3.33Å; M494-R496 PolarHBondContact O-N 2.88Å; M494-M497 PolarHBondContact O-N 3.47Å; M494-M498 HydrophobicContact CG-CG 4.41Å; M494-M498 WeakPolarHBondContact O-CB 3.09Å; M494-M498 VanDerWaalsContact O-CG 3.32Å; M494-M498 WeakPolarHBondContact O-CG 3.03Å; M494-M498 PolarHBondContact O-N 3.49Å; M494-L510 HydrophobicContact SD-CD1 4.25Å; M494-F528 HydrophobicContact CE-CB 3.98Å; M494-F528 HydrophobicContact CE-CG 4.26Å; M494-L569 HydrophobicContact CE-CD2 3.63Å; M494-F586 HydrophobicContact CB-CE2 4.09Å; M494-F586 HydrophobicContact CB-CZ 4.16Å; M494-F586 HydrophobicContact CE-CZ 3.96Å; M494-F586 HydrophobicContact SD-CE2 4.44Å; M494-F586 HydrophobicContact SD-CZ 3.75Å; M494-A615 HydrophobicContact CG-CB 4.4Å; M494-A615 HydrophobicContact SD-CB 3.99Å
495	Y	94.5	Very high	84.9	Confident	18 Å²	18	49.3 Å²	49.3	7%	0.071	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-39.8	177	-68.6	-45.3	0	0	0	112.7	L491 S492 T493 M498 S499 F528 V530 G564 S565	L491-Y495 HydrophobicContact CD1-CD2 4.39Å; L491-Y495 HydrophobicContact CD1-CE1 4.24Å; L491-Y495 HydrophobicContact CD1-CE2 3.82Å; L491-Y495 HydrophobicContact CD2-CE2 3.83Å; L491-Y495 HydrophobicContact CG-CD2 4.06Å; L491-Y495 HydrophobicContact CG-CE2 3.47Å; L491-Y495 VanDerWaalsContact CG-CE2 3.47Å; L491-Y495 WeakPolarHBondContact O-CD2 3.33Å; L491-Y495 PolarHBondContact O-N 3.3Å; S492-Y495 PolarHBondContact O-N 3.11Å; T493-Y495 PolarHBondContact O-N 3.37Å; Y495-M498 PolarHBondContact O-N 3.37Å; Y495-S499 WeakPolarHBondContact O-CB 3.41Å; Y495-S499 PolarHBondContact O-N 2.94Å; Y495-F528 HydrophobicContact CD1-CB 4.38Å; Y495-F528 HydrophobicContact CE1-CB 4.19Å; Y495-V530 HydrophobicContact CD2-CG2 3.51Å; Y495-V530 HydrophobicContact CE2-CG2 3.46Å; Y495-V530 VanDerWaalsContact CE2-CG2 3.46Å; Y495-V530 HydrophobicContact CG-CG2 4.09Å; Y495-G564 WeakPolarHBondContact OH-CA 3.44Å; Y495-S565 VanDerWaalsContact CE2-O 3.23Å; Y495-S565 WeakPolarHBondContact CE2-O 3.45Å; Y495-S565 PolarHBondContact OH-N 3.04Å; Y495-S565 PolarHBondContact OH-O 2.94Å
496	R	92.9	Very high	83.8	Confident	100 Å²	100	48.8 Å²	48.8	38%	0.377	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.2	-173.7	173.6	60	-110	-7.9	111.5	S492 T493 M494 S499 S500	S492-R496 PolarHBondContact O-N 3.29Å; T493-R496 PolarHBondContact O-N 3.45Å; T493-R496 PolarHBondContact OG1-NH2 2.92Å; M494-R496 VanDerWaalsContact C-N 3.33Å; M494-R496 PolarHBondContact O-N 2.88Å; R496-S499 PolarHBondContact O-N 2.67Å; R496-S500 PolarHBondContact O-N 3.43Å; R496-S500 VanDerWaalsContact O-N 3.17Å
497	M	91.1	Very high	83.7	Confident	32 Å²	32	45.8 Å²	45.8	16%	0.158	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-40.5	175.5	-67.1	-55.7	-158.9	0	0	112.3	L357 V481 H487 T493 M494 S499 S500	L357-M497 HydrophobicContact CD1-CE 4.38Å; V481-M497 HydrophobicContact CG1-CB 4.04Å; H487-M497 HydrophobicContact CB-CE 4.5Å; T493-M497 HydrophobicContact CG2-CG 4.49Å; T493-M497 WeakPolarHBondContact O-CG 3.49Å; T493-M497 PolarHBondContact O-N 3.42Å; M494-M497 PolarHBondContact O-N 3.47Å; M497-S499 VanDerWaalsContact C-N 3.27Å; M497-S499 PolarHBondContact O-N 2.98Å; M497-S500 PolarHBondContact O-N 3.24Å; M497-S500 PolarHBondContact O-OG 2.93Å
498	M	90.3	Very high	83.7	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-33.3	175.7	-75.4	-75.3	171.4	0	0	112.6	V481 M494 Y495 R527 F528 A615	V481-M498 HydrophobicContact CB-CE 3.9Å; V481-M498 HydrophobicContact CB-SD 4.41Å; V481-M498 HydrophobicContact CG1-CE 3.9Å; V481-M498 HydrophobicContact CG1-CG 4.2Å; V481-M498 HydrophobicContact CG1-SD 3.9Å; V481-M498 HydrophobicContact CG2-CE 4.32Å; M494-M498 HydrophobicContact CG-CG 4.41Å; M494-M498 WeakPolarHBondContact O-CB 3.09Å; M494-M498 VanDerWaalsContact O-CG 3.32Å; M494-M498 WeakPolarHBondContact O-CG 3.03Å; M494-M498 PolarHBondContact O-N 3.49Å; Y495-M498 PolarHBondContact O-N 3.37Å; M498-R527 HydrophobicContact SD-CB 4.44Å; M498-F528 WeakPolarHBondContact CB-O 3.4Å; M498-F528 HydrophobicContact CE-CD2 4.01Å; M498-F528 HydrophobicContact CG-CB 4.39Å; M498-A615 HydrophobicContact CE-CB 3.29Å
499	S	87.9	Confident	83.9	Confident	99 Å²	99	43.8 Å²	43.8	69%	0.692	23%	0.232	S	C	*	.	H	α-helix	trans	-76	-30.1	179.3	-172.7	0	0	0	0	113.3	Y495 R496 M497 L501	Y495-S499 WeakPolarHBondContact O-CB 3.41Å; Y495-S499 PolarHBondContact O-N 2.94Å; R496-S499 PolarHBondContact O-N 2.67Å; M497-S499 VanDerWaalsContact C-N 3.27Å; M497-S499 PolarHBondContact O-N 2.98Å; S499-L501 PolarHBondContact O-N 2.91Å
500	S	82.6	Confident	84.2	Confident	79 Å²	79	43.2 Å²	43.2	55%	0.552	23%	0.23	S	C	*	.	H	α-helix	trans	-68.4	-23.1	-179.5	70.9	0	0	0	0	113	R496 M497 K502	R496-S500 PolarHBondContact O-N 3.43Å; R496-S500 VanDerWaalsContact O-N 3.17Å; M497-S500 PolarHBondContact O-N 3.24Å; M497-S500 PolarHBondContact O-OG 2.93Å; S500-K502 PolarHBondContact O-N 2.79Å
501	L	74.4	Confident	84.4	Confident	30 Å²	30	42.8 Å²	42.8	16%	0.157	23%	0.226	C	C	.	.			trans	-78.2	88.3	178.4	-63.9	177.4	0	0	0	111.8	V481 S499 E503 C504 R527	V481-L501 HydrophobicContact CB-CD1 3.93Å; V481-L501 HydrophobicContact CG1-CD1 3.44Å; V481-L501 VanDerWaalsContact CG1-CD1 3.44Å; V481-L501 HydrophobicContact CG1-CG 4.35Å; V481-L501 HydrophobicContact CG2-CD1 3.28Å; S499-L501 PolarHBondContact O-N 2.91Å; L501-E503 VanDerWaalsContact C-N 3.29Å; L501-E503 PolarHBondContact O-N 3.5Å; L501-C504 HydrophobicContact CB-CB 4.35Å; L501-C504 HydrophobicContact CD1-CB 4.33Å; L501-R527 VanDerWaalsContact O-CZ 3.27Å; L501-R527 PolarHBondContact O-NH2 3.09Å
502	K	61.8	Low	84.4	Confident	185 Å²	185	42.8 Å²	42.8	80%	0.804	23%	0.226	S	C	*	.	S	Bend	trans	-66.7	-30.4	174.9	-66.7	-177.3	-179.6	177.5	0	112.7	S500	S500-K502 PolarHBondContact O-N 2.79Å
503	E	59.8	Low	84.5	Confident	159 Å²	159	41.5 Å²	41.5	74%	0.743	21%	0.212	S	C	*	.	S	Bend	trans	-109.7	-17.3	-164.5	-65.3	175.1	-174.9	0	0	114.9	L501	L501-E503 VanDerWaalsContact C-N 3.29Å; L501-E503 PolarHBondContact O-N 3.5Å
504	C	56.7	Low	84.6	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	21%	0.209	C	C	.	.			trans	-92.8	114.5	-174.9	-60.8	0	0	0	0	111	L501 R527 C617 R619	L501-C504 HydrophobicContact CB-CB 4.35Å; L501-C504 HydrophobicContact CD1-CB 4.33Å; C504-R527 PolarHBondContact O-NE 3.21Å; C504-R527 PolarHBondContact O-NH2 3.13Å; C504-C617 HydrophobicContact CB-CB 4.31Å; C504-R619 PolarHBondContact SG-NE 3.36Å
505	L	63.4	Low	84.5	Confident	92 Å²	92	43.9 Å²	43.9	48%	0.482	23%	0.226	S	C	.	.			trans	-107.1	134.7	-167.4	-68.1	161.3	0	0	0	110.7	F618 L620	L505-F618 VanDerWaalsContact O-O 3.07Å; L505-L620 HydrophobicContact CB-CD1 3.97Å; L505-L620 HydrophobicContact CD1-CD1 4.25Å
506	S	67.8	Low	84.5	Confident	25 Å²	25	45.5 Å²	45.5	18%	0.175	24%	0.24	C	C	.	.	S	Bend	trans	7.3	130.5	153.2	164	0	0	0	0	117.2	R472 S525	R472-S506 PolarHBondContact NH1-O 2.99Å; R472-S506 PolarHBondContact NH1-OG 3.1Å; R472-S506 VanDerWaalsContact NH1-OG 3.11Å; R472-S506 PolarHBondContact NH2-OG 3.36Å; S506-S525 WeakPolarHBondContact CB-O 3.38Å; S506-S525 VanDerWaalsContact OG-C 3.31Å; S506-S525 PolarHBondContact OG-O 2.74Å
507	P	87.8	Confident	84.4	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.013	25%	0.247	C	C	.	.			cis	-81.7	172.3	7.2	31.6	-33.4	0	0	0	113.2	P470 A473 I523 V524 F618	P470-P507 HydrophobicContact CG-CG 4.1Å; A473-P507 HydrophobicContact CB-CG 3.8Å; P507-I523 HydrophobicContact CB-CG2 3.93Å; P507-I523 HydrophobicContact CG-CG2 4.43Å; P507-V524 CarbonylContact C-O 3.58Å; P507-V524 VanDerWaalsContact CA-O 3.23Å; P507-V524 WeakPolarHBondContact CA-O 3.46Å; P507-V524 VanDerWaalsContact CB-O 3.23Å; P507-V524 WeakPolarHBondContact CB-O 3.42Å; P507-F618 HydrophobicContact CG-CD2 3.73Å; P507-F618 HydrophobicContact CG-CE2 3.91Å; P507-F618 VanDerWaalsContact O-CD2 3.24Å; P507-F618 WeakPolarHBondContact O-CD2 3.38Å
508	S	92.1	Very high	84.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.9	167.8	-39.3	0	0	0	0	108.4	V524 C526 R527 W616	S508-V524 PolarHBondContact N-O 2.87Å; S508-V524 PolarHBondContact O-N 2.78Å; S508-C526 WeakPolarHBondContact CB-O 3.46Å; S508-C526 VanDerWaalsContact OG-C 3.3Å; S508-C526 PolarHBondContact OG-O 3.29Å; S508-R527 WeakPolarHBondContact OG-CA 3.32Å; S508-W616 CarbonylContact C-O 3.41Å; S508-W616 VanDerWaalsContact CA-O 3.29Å; S508-W616 WeakPolarHBondContact CA-O 3.42Å
509	L	94.7	Very high	84.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.2	177.2	164	70.2	0	0	0	108.6	L457 L465 W478 V511 I523 F543 A615 W616 F618	L457-L509 HydrophobicContact CD1-CD2 4.47Å; L465-L509 HydrophobicContact CD1-CD2 4.32Å; W478-L509 HydrophobicContact CE3-CD2 4.13Å; W478-L509 HydrophobicContact CH2-CD2 3.47Å; W478-L509 VanDerWaalsContact CH2-CD2 3.47Å; W478-L509 HydrophobicContact CZ3-CD2 3.23Å; L509-V511 HydrophobicContact CD1-CG2 4.08Å; L509-V511 HydrophobicContact CD2-CG2 3.98Å; L509-V511 HydrophobicContact CG-CG2 3.77Å; L509-I523 HydrophobicContact CB-CG1 4.42Å; L509-I523 HydrophobicContact CD1-CD1 4.4Å; L509-I523 HydrophobicContact CD1-CG1 3.58Å; L509-F543 HydrophobicContact CD1-CE1 3.52Å; L509-F543 HydrophobicContact CD1-CZ 4.01Å; L509-A615 CarbonylContact O-C 3.57Å; L509-A615 WeakPolarHBondContact O-CA 3.45Å; L509-W616 HydrophobicContact CB-CB 4.13Å; L509-W616 HydrophobicContact CD2-CB 4.41Å; L509-W616 HydrophobicContact CD2-CG 4.48Å; L509-W616 PolarHBondContact N-O 3.13Å; L509-W616 PolarHBondContact O-N 2.85Å; L509-F618 HydrophobicContact CB-CE2 4.24Å; L509-F618 HydrophobicContact CB-CZ 4.16Å
510	L	96.8	Very high	85.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.1	170.1	-177.4	69.7	0	0	0	108.8	M494 V512 G521 G522 F528 L569 L571 L580 L582 V613 A615	M494-L510 HydrophobicContact SD-CD1 4.25Å; L510-V512 HydrophobicContact CG-CG2 4.32Å; L510-G521 VanDerWaalsContact O-CA 3.26Å; L510-G521 WeakPolarHBondContact O-CA 3.41Å; L510-G522 PolarHBondContact N-O 3.29Å; L510-G522 PolarHBondContact O-N 2.92Å; L510-F528 HydrophobicContact CB-CE2 3.81Å; L510-F528 HydrophobicContact CB-CZ 3.64Å; L510-F528 HydrophobicContact CD2-CZ 4.32Å; L510-F528 HydrophobicContact CG-CZ 4.48Å; L510-L569 HydrophobicContact CD2-CD2 3.99Å; L510-L571 HydrophobicContact CD2-CD1 4.17Å; L510-L580 HydrophobicContact CD2-CD2 4.39Å; L510-L582 HydrophobicContact CD2-CD1 3.98Å; L510-V613 HydrophobicContact CD1-CG1 3.74Å; L510-A615 HydrophobicContact CD1-CB 4.33Å
511	V	97.3	Very high	85.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.7	177.4	-169	0	0	0	0	108.3	I456 L457 L509 T519 F543 V613 E614	I456-V511 HydrophobicContact CB-CG1 4.19Å; I456-V511 HydrophobicContact CG2-CG1 3.47Å; I456-V511 VanDerWaalsContact CG2-CG1 3.47Å; L457-V511 HydrophobicContact CD1-CG2 4.04Å; L457-V511 HydrophobicContact CD2-CG1 3.65Å; L457-V511 HydrophobicContact CD2-CG2 4.27Å; L457-V511 HydrophobicContact CG-CG1 4.13Å; L457-V511 HydrophobicContact CG-CG2 4.32Å; L509-V511 HydrophobicContact CD1-CG2 4.08Å; L509-V511 HydrophobicContact CD2-CG2 3.98Å; L509-V511 HydrophobicContact CG-CG2 3.77Å; V511-T519 HydrophobicContact CG1-CG2 3.71Å; V511-F543 HydrophobicContact CG2-CZ 4.42Å; V511-V613 CarbonylContact O-C 3.46Å; V511-V613 WeakPolarHBondContact O-CA 3.3Å; V511-E614 HydrophobicContact CB-CB 4.38Å; V511-E614 PolarHBondContact N-O 3.1Å; V511-E614 PolarHBondContact O-N 2.85Å
512	V	97.5	Very high	87	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.9	177.9	-178.1	0	0	0	0	108	L510 T519 F520 L580 L582 F608 I610	L510-V512 HydrophobicContact CG-CG2 4.32Å; V512-T519 WeakPolarHBondContact O-CA 3.46Å; V512-F520 WeakPolarHBondContact CA-O 3.4Å; V512-F520 HydrophobicContact CB-CD2 4.2Å; V512-F520 HydrophobicContact CB-CE2 3.93Å; V512-F520 HydrophobicContact CB-CZ 4.5Å; V512-F520 HydrophobicContact CG1-CE2 3.83Å; V512-F520 HydrophobicContact CG1-CZ 4.04Å; V512-F520 PolarHBondContact N-O 2.95Å; V512-F520 PolarHBondContact O-N 3.18Å; V512-L580 HydrophobicContact CG2-CD2 4.44Å; V512-L582 HydrophobicContact CG1-CD2 4.46Å; V512-L582 HydrophobicContact CG2-CD1 3.97Å; V512-L582 HydrophobicContact CG2-CD2 4.26Å; V512-F608 HydrophobicContact CG1-CE2 4.09Å; V512-I610 HydrophobicContact CG1-CG1 4.15Å; V512-I610 HydrophobicContact CG1-CG2 4.28Å
513	R	96.5	Very high	88.6	Confident	36 Å²	36	27.3 Å²	27.3	14%	0.136	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.9	169.4	-175.7	179	-84.7	-178.5	-15.9	108.6	T455 I456 D517 H518 A611 A612	T455-R513 PolarHBondContact O-NH1 3.03Å; I456-R513 HydrophobicContact CD1-CB 4.38Å; I456-R513 HydrophobicContact CG1-CB 4.49Å; I456-R513 HydrophobicContact CG2-CB 3.81Å; I456-R513 VanDerWaalsContact O-CZ 3.3Å; I456-R513 PolarHBondContact O-NH2 3.41Å; R513-D517 VanDerWaalsContact CD-OD1 3.32Å; R513-D517 WeakPolarHBondContact CD-OD1 3.42Å; R513-D517 IonicContact CZ-OD1 2.86Å; R513-D517 IonicContact NE-OD1 2.86Å; R513-H518 WeakPolarHBondContact CA-O 3.19Å; R513-A611 WeakPolarHBondContact O-CB 3.42Å; R513-A611 PolarHBondContact O-N 3.16Å; R513-A612 PolarHBondContact N-O 3.01Å; R513-A612 PolarHBondContact O-N 3.25Å
514	D	95.3	Very high	90.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	173	175.5	72.9	14.3	0	0	0	112.4	S516 D517 H518 F520 T603 F608 L609 A611	D514-S516 PolarHBondContact O-N 3.36Å; D514-S516 WeakPolarHBondContact OD1-CA 3.35Å; D514-S516 VanDerWaalsContact OD1-CB 3.3Å; D514-S516 WeakPolarHBondContact OD1-CB 3.13Å; D514-S516 PolarHBondContact OD1-N 2.88Å; D514-D517 PolarHBondContact O-N 3.45Å; D514-D517 VanDerWaalsContact O-N 3.09Å; D514-D517 PolarHBondContact OD1-N 2.76Å; D514-H518 PolarHBondContact N-O 2.97Å; D514-H518 IonicContact OD1-CG 3.72Å; D514-H518 PolarHBondContact OD1-N 2.86Å; D514-H518 IonicContact OD2-CG 2.72Å; D514-H518 IonicContact OD2-ND1 3.91Å; D514-F520 HydrophobicContact CB-CE1 3.95Å; D514-F520 HydrophobicContact CB-CZ 4.16Å; D514-T603 PolarHBondContact OD2-OG1 3.26Å; D514-F608 HydrophobicContact CB-CB 4.13Å; D514-F608 HydrophobicContact CB-CD2 4.04Å; D514-F608 HydrophobicContact CB-CG 4.34Å; D514-L609 CarbonylContact C-O 3.58Å; D514-L609 VanDerWaalsContact CA-O 3.27Å; D514-L609 WeakPolarHBondContact CA-O 3.49Å; D514-L609 WeakPolarHBondContact CB-O 3.44Å; D514-A611 WeakPolarHBondContact O-CB 3.1Å
515	T	94.5	Very high	91.7	Very high	58 Å²	58	20.3 Å²	20.3	36%	0.356	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-0.7	174.9	58.3	0	0	0	0	114.6	R109 L609 A611	R109-T515 WeakPolarHBondContact CD-O 3.43Å; R109-T515 PolarHBondContact NH1-O 2.77Å; R109-T515 VanDerWaalsContact NH1-O 3.12Å; T515-L609 HydrophobicContact CG2-CB 3.74Å; T515-L609 PolarHBondContact N-O 3.14Å; T515-A611 HydrophobicContact CG2-CB 4.22Å
516	S	92.9	Very high	92.8	Very high	51 Å²	51	17.5 Å²	17.5	36%	0.357	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	5.6	169.4	-59.7	0	0	0	0	111.7	D514 H518	D514-S516 PolarHBondContact O-N 3.36Å; D514-S516 WeakPolarHBondContact OD1-CA 3.35Å; D514-S516 VanDerWaalsContact OD1-CB 3.3Å; D514-S516 WeakPolarHBondContact OD1-CB 3.13Å; D514-S516 PolarHBondContact OD1-N 2.88Å; S516-H518 PolarHBondContact O-N 3.04Å
517	D	91.6	Very high	93.8	Very high	97 Å²	97	19.6 Å²	19.6	52%	0.519	11%	0.105	S	C	.	.			trans	65.9	18.2	-178.3	-146.9	35.9	0	0	0	114	R112 R513 D514	R112-D517 IonicContact NH2-OD1 3.38Å; R112-D517 PolarHBondContact NH2-OD1 2.79Å; R513-D517 VanDerWaalsContact CD-OD1 3.32Å; R513-D517 WeakPolarHBondContact CD-OD1 3.42Å; R513-D517 IonicContact CZ-OD1 2.86Å; R513-D517 IonicContact NE-OD1 2.86Å; D514-D517 PolarHBondContact O-N 3.45Å; D514-D517 VanDerWaalsContact O-N 3.09Å; D514-D517 PolarHBondContact OD1-N 2.76Å
518	H	94.1	Very high	94.1	Very high	37 Å²	37	19.6 Å²	19.6	17%	0.171	11%	0.105	C	C	.	.			trans	-79.6	132.8	170.8	-55.6	154.8	0	0	0	109.7	R513 D514 S516 F520 H546 T603	R513-H518 WeakPolarHBondContact CA-O 3.19Å; D514-H518 PolarHBondContact N-O 2.97Å; D514-H518 IonicContact OD1-CG 3.72Å; D514-H518 PolarHBondContact OD1-N 2.86Å; D514-H518 IonicContact OD2-CG 2.72Å; D514-H518 IonicContact OD2-ND1 3.91Å; S516-H518 PolarHBondContact O-N 3.04Å; H518-F520 HydrophobicContact CB-CD1 4.29Å; H518-F520 HydrophobicContact CB-CE1 4.36Å; H518-H546 HydrophobicContact CB-CB 4.07Å; H518-H546 AromaticContact CD2-CG 3.72Å; H518-H546 AromaticContact CD2-ND1 3.45Å; H518-H546 PolarHBondContact CD2-ND1 3.28Å; H518-H546 AromaticContact CE1-CD2 3.7Å; H518-H546 AromaticContact CE1-CE1 3.52Å; H518-H546 AromaticContact CE1-CG 3.65Å; H518-H546 AromaticContact CE1-ND1 3.55Å; H518-H546 AromaticContact CE1-NE2 3.65Å; H518-H546 AromaticContact CG-CG 3.81Å; H518-H546 AromaticContact ND1-CD2 3.94Å; H518-H546 AromaticContact ND1-CG 3.78Å; H518-H546 AromaticContact NE2-CE1 3.3Å; H518-H546 PolarHBondContact NE2-CE1 2.79Å; H518-H546 VanDerWaalsContact NE2-CE1 3.3Å; H518-H546 AromaticContact NE2-CG 3.62Å; H518-H546 AromaticContact NE2-ND1 3.12Å; H518-H546 PolarHBondContact NE2-ND1 2.95Å; H518-H546 VanDerWaalsContact NE2-ND1 3.12Å; H518-H546 AromaticContact NE2-NE2 3.9Å; H518-T603 PolarHBondContact ND1-OG1 3.23Å
519	T	95.5	Very high	94.1	Very high	11 Å²	11	23.7 Å²	23.7	7%	0.067	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.7	179.8	-56.6	0	0	0	0	109.8	I456 L457 M461 V511 V512 D545	I456-T519 HydrophobicContact CG2-CG2 3.76Å; L457-T519 HydrophobicContact CD2-CG2 4.08Å; M461-T519 HydrophobicContact CE-CG2 4.49Å; V511-T519 HydrophobicContact CG1-CG2 3.71Å; V512-T519 WeakPolarHBondContact O-CA 3.46Å; T519-D545 PolarHBondContact O-N 2.8Å
520	F	97.1	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	170.1	-179.2	52	-93.3	0	0	0	109.8	V512 D514 H518 F543 L580 L602 T603 F608	V512-F520 WeakPolarHBondContact CA-O 3.4Å; V512-F520 HydrophobicContact CB-CD2 4.2Å; V512-F520 HydrophobicContact CB-CE2 3.93Å; V512-F520 HydrophobicContact CB-CZ 4.5Å; V512-F520 HydrophobicContact CG1-CE2 3.83Å; V512-F520 HydrophobicContact CG1-CZ 4.04Å; V512-F520 PolarHBondContact N-O 2.95Å; V512-F520 PolarHBondContact O-N 3.18Å; D514-F520 HydrophobicContact CB-CE1 3.95Å; D514-F520 HydrophobicContact CB-CZ 4.16Å; H518-F520 HydrophobicContact CB-CD1 4.29Å; H518-F520 HydrophobicContact CB-CE1 4.36Å; F520-F543 VanDerWaalsContact CA-O 3.31Å; F520-F543 WeakPolarHBondContact CA-O 3.27Å; F520-F543 VanDerWaalsContact CB-O 3.29Å; F520-F543 WeakPolarHBondContact CB-O 3.46Å; F520-L580 HydrophobicContact CD2-CD1 4.08Å; F520-L580 HydrophobicContact CE2-CD1 3.76Å; F520-L602 HydrophobicContact CB-CB 4Å; F520-L602 HydrophobicContact CB-CD1 4.36Å; F520-L602 HydrophobicContact CD2-CB 4.16Å; F520-L602 HydrophobicContact CD2-CD1 4.14Å; F520-L602 HydrophobicContact CG-CB 4.03Å; F520-T603 HydrophobicContact CD1-CG2 4.42Å; F520-T603 HydrophobicContact CE1-CG2 3.64Å; F520-T603 HydrophobicContact CZ-CG2 3.8Å; F520-F608 HydrophobicContact CE2-CD2 4.43Å; F520-F608 AromaticContact CE2-CE1 3.9Å; F520-F608 HydrophobicContact CE2-CE1 3.9Å; F520-F608 AromaticContact CE2-CE2 3.72Å; F520-F608 HydrophobicContact CE2-CE2 3.72Å; F520-F608 AromaticContact CE2-CZ 3.42Å; F520-F608 HydrophobicContact CE2-CZ 3.42Å; F520-F608 VanDerWaalsContact CE2-CZ 3.42Å; F520-F608 HydrophobicContact CZ-CD1 4.08Å; F520-F608 AromaticContact CZ-CD2 3.73Å; F520-F608 HydrophobicContact CZ-CD2 3.73Å; F520-F608 AromaticContact CZ-CE1 3.83Å; F520-F608 HydrophobicContact CZ-CE1 3.83Å; F520-F608 AromaticContact CZ-CE2 3.46Å; F520-F608 HydrophobicContact CZ-CE2 3.46Å; F520-F608 VanDerWaalsContact CZ-CE2 3.46Å; F520-F608 HydrophobicContact CZ-CG 4.03Å; F520-F608 AromaticContact CZ-CZ 3.53Å; F520-F608 HydrophobicContact CZ-CZ 3.53Å
521	G	97	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-158.1	-177.1	0	0	0	0	0	113	L510 L542 F543	L510-G521 VanDerWaalsContact O-CA 3.26Å; L510-G521 WeakPolarHBondContact O-CA 3.41Å; G521-L542 WeakPolarHBondContact O-CA 3.23Å; G521-F543 VanDerWaalsContact C-CE1 3.42Å; G521-F543 PolarHBondContact N-O 2.83Å; G521-F543 PolarHBondContact O-N 3Å
522	G	96.5	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.7	-179.8	0	0	0	0	0	112.9	L510 L541	L510-G522 PolarHBondContact N-O 3.29Å; L510-G522 PolarHBondContact O-N 2.92Å; G522-L541 CarbonylContact C-O 3.18Å; G522-L541 WeakPolarHBondContact CA-O 3.42Å
523	I	95.3	Very high	93.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.6	166.9	-64.2	164.1	0	0	0	106.4	V468 L469 P507 L509 S540 L541	V468-I523 HydrophobicContact CG1-CD1 4.12Å; L469-I523 HydrophobicContact CD2-CD1 3.74Å; L469-I523 HydrophobicContact CD2-CG1 4.23Å; L469-I523 HydrophobicContact CD2-CG2 4.27Å; L469-I523 HydrophobicContact CG-CD1 4.28Å; P507-I523 HydrophobicContact CB-CG2 3.93Å; P507-I523 HydrophobicContact CG-CG2 4.43Å; L509-I523 HydrophobicContact CB-CG1 4.42Å; L509-I523 HydrophobicContact CD1-CD1 4.4Å; L509-I523 HydrophobicContact CD1-CG1 3.58Å; I523-S540 CarbonylContact O-C 3.55Å; I523-S540 WeakPolarHBondContact O-CA 3.32Å; I523-S540 WeakPolarHBondContact O-CB 3.47Å; I523-L541 HydrophobicContact CB-CD1 4.03Å; I523-L541 HydrophobicContact CB-CG 4.08Å; I523-L541 HydrophobicContact CD1-CD1 3.9Å; I523-L541 HydrophobicContact CD1-CG 4.42Å; I523-L541 HydrophobicContact CG1-CD1 4.15Å; I523-L541 PolarHBondContact N-O 2.96Å; I523-L541 PolarHBondContact O-N 3.4Å
524	V	93.8	Very high	93.2	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.5	-177.5	176.4	0	0	0	0	108.8	P507 S508 C526 F528 V562 L571	P507-V524 CarbonylContact C-O 3.58Å; P507-V524 VanDerWaalsContact CA-O 3.23Å; P507-V524 WeakPolarHBondContact CA-O 3.46Å; P507-V524 VanDerWaalsContact CB-O 3.23Å; P507-V524 WeakPolarHBondContact CB-O 3.42Å; S508-V524 PolarHBondContact N-O 2.87Å; S508-V524 PolarHBondContact O-N 2.78Å; V524-C526 PolarHBondContact O-N 3.36Å; V524-F528 HydrophobicContact CB-CE1 4.16Å; V524-F528 HydrophobicContact CB-CZ 3.99Å; V524-F528 HydrophobicContact CG1-CE1 4.48Å; V524-F528 HydrophobicContact CG2-CE1 3.67Å; V524-F528 HydrophobicContact CG2-CZ 3.62Å; V524-V562 HydrophobicContact CB-CG2 4.27Å; V524-V562 HydrophobicContact CG1-CG2 3.48Å; V524-V562 VanDerWaalsContact CG1-CG2 3.48Å; V524-V562 HydrophobicContact CG2-CG2 3.72Å; V524-L571 HydrophobicContact CG2-CD1 4.35Å; V524-L571 HydrophobicContact CG2-CD2 3.92Å
525	S	88	Confident	93.1	Very high	11 Å²	11	46 Å²	46	8%	0.077	24%	0.235	C	C	.	.	S	Bend	trans	-72	9.7	-177.4	65.9	0	0	0	0	115.2	S506 T537 S540	S506-S525 WeakPolarHBondContact CB-O 3.38Å; S506-S525 VanDerWaalsContact OG-C 3.31Å; S506-S525 PolarHBondContact OG-O 2.74Å; S525-T537 WeakPolarHBondContact CB-OG1 3.47Å; S525-T537 WeakPolarHBondContact OG-CB 3.37Å; S525-T537 PolarHBondContact OG-N 2.9Å; S525-T537 PolarHBondContact OG-OG1 3.25Å; S525-S540 PolarHBondContact N-OG 2.83Å
526	C	86.1	Confident	92.7	Very high	32 Å²	32	44.7 Å²	44.7	22%	0.216	23%	0.232	C	C	.	.	S	Bend	trans	-156.6	172.9	-177.9	54.5	0	0	0	0	110.4	S508 V524 Y535	S508-C526 WeakPolarHBondContact CB-O 3.46Å; S508-C526 VanDerWaalsContact OG-C 3.3Å; S508-C526 PolarHBondContact OG-O 3.29Å; V524-C526 PolarHBondContact O-N 3.36Å; C526-Y535 WeakPolarHBondContact SG-CD2 3.44Å
527	R	90.2	Very high	92.4	Very high	69 Å²	69	45.4 Å²	45.4	26%	0.26	24%	0.235	S	C	.	.			trans	-74.6	143.6	178.5	-58.9	-177.1	-161.2	126.9	-4.1	110.5	M498 L501 C504 S508 H529	M498-R527 HydrophobicContact SD-CB 4.44Å; L501-R527 VanDerWaalsContact O-CZ 3.27Å; L501-R527 PolarHBondContact O-NH2 3.09Å; C504-R527 PolarHBondContact O-NE 3.21Å; C504-R527 PolarHBondContact O-NH2 3.13Å; S508-R527 WeakPolarHBondContact OG-CA 3.32Å; R527-H529 PolarHBondContact O-N 2.97Å; R527-H529 PolarHBondContact O-ND1 3.38Å
528	F	93.1	Very high	92.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	23%	0.226	C	C	.	.			trans	-67.2	123.3	172.4	-63.3	-71	0	0	0	110	M494 Y495 M498 L510 V524 V562 L569 L571	M494-F528 HydrophobicContact CE-CB 3.98Å; M494-F528 HydrophobicContact CE-CG 4.26Å; Y495-F528 HydrophobicContact CD1-CB 4.38Å; Y495-F528 HydrophobicContact CE1-CB 4.19Å; M498-F528 WeakPolarHBondContact CB-O 3.4Å; M498-F528 HydrophobicContact CE-CD2 4.01Å; M498-F528 HydrophobicContact CG-CB 4.39Å; L510-F528 HydrophobicContact CB-CE2 3.81Å; L510-F528 HydrophobicContact CB-CZ 3.64Å; L510-F528 HydrophobicContact CD2-CZ 4.32Å; L510-F528 HydrophobicContact CG-CZ 4.48Å; V524-F528 HydrophobicContact CB-CE1 4.16Å; V524-F528 HydrophobicContact CB-CZ 3.99Å; V524-F528 HydrophobicContact CG1-CE1 4.48Å; V524-F528 HydrophobicContact CG2-CE1 3.67Å; V524-F528 HydrophobicContact CG2-CZ 3.62Å; F528-V562 HydrophobicContact CD1-CG1 4.29Å; F528-V562 HydrophobicContact CE1-CG1 4.38Å; F528-L569 HydrophobicContact CD1-CD1 3.89Å; F528-L569 HydrophobicContact CD1-CD2 3.89Å; F528-L569 HydrophobicContact CE1-CD1 4.45Å; F528-L569 HydrophobicContact CE1-CD2 4.2Å; F528-L569 HydrophobicContact CG-CD2 4.39Å; F528-L571 HydrophobicContact CE1-CD2 3.88Å
529	H	92.8	Very high	91.7	Very high	86 Å²	86	44.6 Å²	44.6	40%	0.398	24%	0.237	S	C	.	.			trans	-147.6	161.5	176.2	64.4	-72.1	0	0	0	110.4	R527 Y535	R527-H529 PolarHBondContact O-N 2.97Å; R527-H529 PolarHBondContact O-ND1 3.38Å; H529-Y535 AromaticContact CE1-CD1 3.88Å; H529-Y535 AromaticContact CE1-CD2 3.58Å; H529-Y535 AromaticContact CE1-CE1 3.84Å; H529-Y535 AromaticContact CE1-CE2 3.55Å; H529-Y535 AromaticContact CE1-CG 3.73Å; H529-Y535 AromaticContact CE1-CZ 3.67Å; H529-Y535 PolarHBondContact N-OH 3.29Å; H529-Y535 AromaticContact ND1-CE2 3.65Å; H529-Y535 AromaticContact ND1-CZ 3.61Å; H529-Y535 WeakPolarHBondContact O-CE1 3.5Å; H529-Y535 PolarHBondContact O-OH 2.97Å
530	V	95.1	Very high	91.5	Very high	68 Å²	68	44.1 Å²	44.1	41%	0.412	23%	0.234	S	C	.	.			trans	-71.9	130.8	172.9	-179.4	0	0	0	0	109	Y495 G564 L566	Y495-V530 HydrophobicContact CD2-CG2 3.51Å; Y495-V530 HydrophobicContact CE2-CG2 3.46Å; Y495-V530 VanDerWaalsContact CE2-CG2 3.46Å; Y495-V530 HydrophobicContact CG-CG2 4.09Å; V530-G564 CarbonylContact C-O 3.46Å; V530-G564 WeakPolarHBondContact CA-O 3.43Å; V530-L566 HydrophobicContact CG2-CD2 3.96Å
531	S	92.5	Very high	91.5	Very high	23 Å²	23	44.5 Å²	44.5	16%	0.161	24%	0.236	C	C	.	.			trans	-145.2	144	-179.1	69.1	0	0	0	0	110.8	H533 Y535 G564	S531-H533 WeakPolarHBondContact CB-O 3.29Å; S531-H533 PolarHBondContact OG-O 3.05Å; S531-Y535 WeakPolarHBondContact OG-CD1 3.21Å; S531-Y535 WeakPolarHBondContact OG-CE1 3.37Å; S531-G564 PolarHBondContact N-O 3.41Å
532	E	90	Very high	91.5	Very high	175 Å²	175	44.5 Å²	44.5	82%	0.818	24%	0.236	S	C	*	.	S	Bend	trans	-75.2	-30.2	171.8	-64.9	-170	168.1	0	0	111.9
533	H	91.7	Very high	91.5	Very high	145 Å²	145	44.5 Å²	44.5	67%	0.671	24%	0.236	S	C	*	.	S	Bend	trans	-107.8	160.8	-178.9	-56	-45.9	0	0	0	111.8	S531	S531-H533 WeakPolarHBondContact CB-O 3.29Å; S531-H533 PolarHBondContact OG-O 3.05Å
534	F	93.4	Very high	91.5	Very high	70 Å²	70	44.5 Å²	44.5	31%	0.307	24%	0.236	S	C	.	.			trans	-66	144	169.6	-70.3	-89.6	0	0	0	110.3	Y560 V562 K563 A573	F534-Y560 HydrophobicContact CB-CD1 4.27Å; F534-Y560 HydrophobicContact CD1-CD1 4.48Å; F534-Y560 HydrophobicContact CD1-CG 4.49Å; F534-Y560 AromaticContact CD2-CD1 3.51Å; F534-Y560 HydrophobicContact CD2-CD1 3.51Å; F534-Y560 HydrophobicContact CD2-CE1 4.24Å; F534-Y560 HydrophobicContact CD2-CG 4.12Å; F534-Y560 AromaticContact CE2-CD1 3.89Å; F534-Y560 HydrophobicContact CE2-CD1 3.89Å; F534-Y560 HydrophobicContact CE2-CG 4.16Å; F534-Y560 AromaticContact CG-CD1 3.85Å; F534-Y560 HydrophobicContact CG-CD1 3.85Å; F534-Y560 HydrophobicContact CG-CG 4.29Å; F534-Y560 HydrophobicContact CZ-CG 4.37Å; F534-V562 CarbonylContact C-O 3.49Å; F534-V562 WeakPolarHBondContact CA-O 3.38Å; F534-K563 HydrophobicContact CD1-CB 3.69Å; F534-K563 HydrophobicContact CE1-CB 3.53Å; F534-K563 HydrophobicContact CE1-CD 4Å; F534-K563 HydrophobicContact CE1-CG 4.38Å; F534-K563 HydrophobicContact CE2-CD 4.15Å; F534-K563 HydrophobicContact CG-CB 4.44Å; F534-K563 HydrophobicContact CZ-CB 4.19Å; F534-K563 HydrophobicContact CZ-CD 3.77Å; F534-A573 HydrophobicContact CE1-CB 3.51Å; F534-A573 HydrophobicContact CZ-CB 3.61Å
535	Y	93.6	Very high	91.5	Very high	28 Å²	28	47.4 Å²	47.4	11%	0.11	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-138.8	169.7	178.2	64	-91.6	0	0	0	111.1	C526 H529 S531 V562	C526-Y535 WeakPolarHBondContact SG-CD2 3.44Å; H529-Y535 AromaticContact CE1-CD1 3.88Å; H529-Y535 AromaticContact CE1-CD2 3.58Å; H529-Y535 AromaticContact CE1-CE1 3.84Å; H529-Y535 AromaticContact CE1-CE2 3.55Å; H529-Y535 AromaticContact CE1-CG 3.73Å; H529-Y535 AromaticContact CE1-CZ 3.67Å; H529-Y535 PolarHBondContact N-OH 3.29Å; H529-Y535 AromaticContact ND1-CE2 3.65Å; H529-Y535 AromaticContact ND1-CZ 3.61Å; H529-Y535 WeakPolarHBondContact O-CE1 3.5Å; H529-Y535 PolarHBondContact O-OH 2.97Å; S531-Y535 WeakPolarHBondContact OG-CD1 3.21Å; S531-Y535 WeakPolarHBondContact OG-CE1 3.37Å; Y535-V562 HydrophobicContact CD1-CB 4.46Å; Y535-V562 HydrophobicContact CD2-CB 4.02Å; Y535-V562 HydrophobicContact CD2-CG1 4.36Å; Y535-V562 HydrophobicContact CE1-CB 4.25Å; Y535-V562 HydrophobicContact CE1-CG1 3.88Å; Y535-V562 HydrophobicContact CE2-CB 3.76Å; Y535-V562 HydrophobicContact CE2-CG1 3.61Å; Y535-V562 HydrophobicContact CE2-CG2 4.43Å; Y535-V562 HydrophobicContact CG-CB 4.4Å; Y535-V562 PolarHBondContact N-O 2.86Å; Y535-V562 WeakPolarHBondContact O-CB 3.4Å; Y535-V562 PolarHBondContact O-N 2.79Å; Y535-V562 WeakPolarHBondContact OH-CG1 3.36Å
536	G	87.3	Confident	91.5	Very high	29 Å²	29	49.9 Å²	49.9	30%	0.299	26%	0.261	S	S	.	.			trans	113	173.8	-175	0	0	0	0	0	112
537	T	85.7	Confident	91.4	Very high	67 Å²	67	53.2 Å²	53.2	41%	0.411	28%	0.283	S	S	.	.			trans	-130.4	165.7	177.5	68.5	0	0	0	0	109.7	S525 E539 S540 I561	S525-T537 WeakPolarHBondContact CB-OG1 3.47Å; S525-T537 WeakPolarHBondContact OG-CB 3.37Å; S525-T537 PolarHBondContact OG-N 2.9Å; S525-T537 PolarHBondContact OG-OG1 3.25Å; T537-E539 PolarHBondContact O-N 3.49Å; T537-S540 WeakPolarHBondContact O-CB 3.25Å; T537-S540 PolarHBondContact O-N 3.08Å; T537-S540 PolarHBondContact O-OG 2.78Å; T537-I561 VanDerWaalsContact O-CD1 3.25Å; T537-I561 WeakPolarHBondContact O-CD1 3.46Å
538	G	84.8	Confident	91.4	Very high	33 Å²	33	57.7 Å²	57.7	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-4.6	179.2	0	0	0	0	0	116.8	S540	G538-S540 PolarHBondContact O-N 2.94Å
539	E	85.3	Confident	91.4	Very high	84 Å²	84	60 Å²	60	39%	0.393	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.9	166.7	-70.4	-178.9	101	0	0	112.4	R472 T537	R472-E539 IonicContact CZ-OE1 3.54Å; R472-E539 IonicContact CZ-OE2 3.05Å; R472-E539 IonicContact NE-OE1 3.56Å; R472-E539 PolarHBondContact NE-OE1 3.16Å; R472-E539 IonicContact NH2-OE1 3.88Å; R472-E539 PolarHBondContact NH2-OE1 3.23Å; R472-E539 IonicContact NH2-OE2 2.8Å; R472-E539 PolarHBondContact NH2-OE2 3.35Å; T537-E539 PolarHBondContact O-N 3.49Å
540	S	93.2	Very high	91.5	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	31%	0.314	C	S	.	.			trans	-74.3	148.4	-179.5	-46.9	0	0	0	0	111	I523 S525 T537 G538 I561 F597	I523-S540 CarbonylContact O-C 3.55Å; I523-S540 WeakPolarHBondContact O-CA 3.32Å; I523-S540 WeakPolarHBondContact O-CB 3.47Å; S525-S540 PolarHBondContact N-OG 2.83Å; T537-S540 WeakPolarHBondContact O-CB 3.25Å; T537-S540 PolarHBondContact O-N 3.08Å; T537-S540 PolarHBondContact O-OG 2.78Å; G538-S540 PolarHBondContact O-N 2.94Å; S540-I561 WeakPolarHBondContact OG-CG2 3.46Å; S540-F597 WeakPolarHBondContact O-CE1 3.38Å
541	L	95.4	Very high	91.5	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	160.5	-177.1	61.2	79.2	0	0	0	111	V468 G522 I523 V551 F552 R553	V468-L541 HydrophobicContact CG1-CD1 3.88Å; V468-L541 HydrophobicContact CG1-CD2 3.49Å; V468-L541 VanDerWaalsContact CG1-CD2 3.49Å; V468-L541 HydrophobicContact CG1-CG 4.34Å; G522-L541 CarbonylContact C-O 3.18Å; G522-L541 WeakPolarHBondContact CA-O 3.42Å; I523-L541 HydrophobicContact CB-CD1 4.03Å; I523-L541 HydrophobicContact CB-CG 4.08Å; I523-L541 HydrophobicContact CD1-CD1 3.9Å; I523-L541 HydrophobicContact CD1-CG 4.42Å; I523-L541 HydrophobicContact CG1-CD1 4.15Å; I523-L541 PolarHBondContact N-O 2.96Å; I523-L541 PolarHBondContact O-N 3.4Å; L541-V551 HydrophobicContact CD1-CG1 3.95Å; L541-V551 HydrophobicContact CD2-CG1 3.98Å; L541-V551 HydrophobicContact CG-CG1 4.37Å; L541-F552 VanDerWaalsContact CA-O 3.32Å; L541-F552 WeakPolarHBondContact CA-O 3.32Å; L541-F552 VanDerWaalsContact CB-O 3.31Å; L541-F552 WeakPolarHBondContact CB-O 3.48Å; L541-R553 HydrophobicContact CB-CG 4.36Å; L541-R553 HydrophobicContact CD2-CG 4.31Å
542	L	97.3	Very high	91.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.9	169.2	-61.9	175.6	0	0	0	110.3	G521 V551 F552 L571 L580 F597 N599 L602	G521-L542 WeakPolarHBondContact O-CA 3.23Å; L542-V551 WeakPolarHBondContact O-CA 3.42Å; L542-F552 HydrophobicContact CB-CB 4.29Å; L542-F552 HydrophobicContact CB-CD2 4.4Å; L542-F552 PolarHBondContact N-O 3.02Å; L542-F552 PolarHBondContact O-N 3.07Å; L542-L571 HydrophobicContact CD2-CB 3.89Å; L542-L571 HydrophobicContact CD2-CD1 3.87Å; L542-L580 HydrophobicContact CD2-CB 4.43Å; L542-F597 HydrophobicContact CD1-CB 4.22Å; L542-F597 HydrophobicContact CD1-CD2 3.41Å; L542-F597 VanDerWaalsContact CD1-CD2 3.41Å; L542-F597 HydrophobicContact CD1-CE2 4.01Å; L542-F597 HydrophobicContact CD1-CG 4.05Å; L542-F597 HydrophobicContact CD2-CD2 4.48Å; L542-F597 HydrophobicContact CD2-CE2 4.31Å; L542-F597 HydrophobicContact CG-CD2 3.58Å; L542-F597 HydrophobicContact CG-CE2 3.84Å; L542-F597 HydrophobicContact CG-CG 4.04Å; L542-N599 HydrophobicContact CD1-CB 4.39Å; L542-L602 HydrophobicContact CB-CD1 4.46Å; L542-L602 HydrophobicContact CB-CD2 4.3Å; L542-L602 HydrophobicContact CD1-CD1 4.36Å
543	F	96.5	Very high	91.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.5	171.3	69.1	-89.8	0	0	0	110.7	M461 L465 L509 V511 F520 G521 F549 R550 V551	M461-F543 HydrophobicContact CE-CD2 3.4Å; M461-F543 HydrophobicContact CE-CE2 3.39Å; L465-F543 HydrophobicContact CD2-CD1 3.94Å; L465-F543 HydrophobicContact CD2-CD2 4.05Å; L465-F543 HydrophobicContact CD2-CE1 3.98Å; L465-F543 HydrophobicContact CD2-CE2 4.09Å; L465-F543 HydrophobicContact CD2-CG 3.98Å; L465-F543 HydrophobicContact CD2-CZ 4.05Å; L509-F543 HydrophobicContact CD1-CE1 3.52Å; L509-F543 HydrophobicContact CD1-CZ 4.01Å; V511-F543 HydrophobicContact CG2-CZ 4.42Å; F520-F543 VanDerWaalsContact CA-O 3.31Å; F520-F543 WeakPolarHBondContact CA-O 3.27Å; F520-F543 VanDerWaalsContact CB-O 3.29Å; F520-F543 WeakPolarHBondContact CB-O 3.46Å; G521-F543 VanDerWaalsContact C-CE1 3.42Å; G521-F543 PolarHBondContact N-O 2.83Å; G521-F543 PolarHBondContact O-N 3Å; F543-F549 HydrophobicContact CB-CE2 4.41Å; F543-F549 HydrophobicContact CD2-CE2 4.36Å; F543-R550 VanDerWaalsContact CA-O 3.24Å; F543-R550 WeakPolarHBondContact CA-O 3.47Å; F543-V551 HydrophobicContact CB-CG2 4.46Å
544	T	96.4	Very high	91.9	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.4	170.4	-178.6	0	0	0	0	109.4	H546 F549 R550 F552 L602	T544-H546 WeakPolarHBondContact CG2-O 3.42Å; T544-H546 PolarHBondContact OG1-N 3.02Å; T544-H546 VanDerWaalsContact OG1-N 3.13Å; T544-H546 PolarHBondContact OG1-O 3.23Å; T544-F549 CarbonylContact O-C 3.43Å; T544-F549 VanDerWaalsContact O-CA 3.22Å; T544-F549 WeakPolarHBondContact O-CA 3.31Å; T544-R550 HydrophobicContact CG2-CB 4.19Å; T544-R550 PolarHBondContact N-O 3.15Å; T544-R550 PolarHBondContact O-N 2.82Å; T544-F552 HydrophobicContact CG2-CE2 3.98Å; T544-L602 WeakPolarHBondContact CB-O 3.4Å; T544-L602 HydrophobicContact CG2-CD2 4.28Å; T544-L602 PolarHBondContact OG1-O 3.18Å
545	D	92.9	Very high	91.9	Very high	63 Å²	63	55 Å²	55	34%	0.337	28%	0.277	S	S	.	.			trans	-91.6	-10.2	170.2	-168	47.7	0	0	0	113.1	M461 K464 T519 P547 K548	M461-D545 HydrophobicContact CE-CB 4.14Å; M461-D545 HydrophobicContact SD-CB 4.35Å; K464-D545 IonicContact NZ-OD1 2.79Å; T519-D545 PolarHBondContact O-N 2.8Å; D545-P547 CarbonylContact O-C 3.51Å; D545-K548 CarbonylContact O-C 3.53Å; D545-K548 WeakPolarHBondContact O-CA 3.19Å; D545-K548 PolarHBondContact O-N 2.84Å
546	H	87.7	Confident	91.7	Very high	63 Å²	63	55.9 Å²	55.9	29%	0.292	30%	0.295	S	S	.	.	S	Bend	trans	-108.4	135.7	-176.5	-171	80	0	0	0	112.8	H518 T544 K548	H518-H546 HydrophobicContact CB-CB 4.07Å; H518-H546 AromaticContact CD2-CG 3.72Å; H518-H546 AromaticContact CD2-ND1 3.45Å; H518-H546 PolarHBondContact CD2-ND1 3.28Å; H518-H546 AromaticContact CE1-CD2 3.7Å; H518-H546 AromaticContact CE1-CE1 3.52Å; H518-H546 AromaticContact CE1-CG 3.65Å; H518-H546 AromaticContact CE1-ND1 3.55Å; H518-H546 AromaticContact CE1-NE2 3.65Å; H518-H546 AromaticContact CG-CG 3.81Å; H518-H546 AromaticContact ND1-CD2 3.94Å; H518-H546 AromaticContact ND1-CG 3.78Å; H518-H546 AromaticContact NE2-CE1 3.3Å; H518-H546 PolarHBondContact NE2-CE1 2.79Å; H518-H546 VanDerWaalsContact NE2-CE1 3.3Å; H518-H546 AromaticContact NE2-CG 3.62Å; H518-H546 AromaticContact NE2-ND1 3.12Å; H518-H546 PolarHBondContact NE2-ND1 2.95Å; H518-H546 VanDerWaalsContact NE2-ND1 3.12Å; H518-H546 AromaticContact NE2-NE2 3.9Å; T544-H546 WeakPolarHBondContact CG2-O 3.42Å; T544-H546 PolarHBondContact OG1-N 3.02Å; T544-H546 VanDerWaalsContact OG1-N 3.13Å; T544-H546 PolarHBondContact OG1-O 3.23Å; H546-K548 VanDerWaalsContact C-N 3.25Å
547	P	84.7	Confident	91.7	Very high	103 Å²	103	61.5 Å²	61.5	67%	0.669	31%	0.313	S	S	*	.	S	Bend	cis	-74	-12.1	-11	31.4	-36.3	0	0	0	113.4	D545	D545-P547 CarbonylContact O-C 3.51Å
548	K	90.6	Very high	92	Very high	163 Å²	163	59.3 Å²	59.3	71%	0.709	30%	0.299	S	S	*	.	S	Bend	trans	-143	155.7	172.6	-66.1	-176.6	179.9	179.7	0	108	D545 H546 R550	D545-K548 CarbonylContact O-C 3.53Å; D545-K548 WeakPolarHBondContact O-CA 3.19Å; D545-K548 PolarHBondContact O-N 2.84Å; H546-K548 VanDerWaalsContact C-N 3.25Å; K548-R550 PolarHBondContact O-N 2.79Å; K548-R550 VanDerWaalsContact O-N 3.08Å
549	F	92.8	Very high	92.3	Very high	51 Å²	51	64.8 Å²	64.8	22%	0.224	32%	0.316	C	S	.	.			trans	-53.8	116.2	171.7	-171.3	-103.2	0	0	0	112.1	M461 K464 L465 V468 F543 T544 V551	M461-F549 HydrophobicContact CE-CD2 3.75Å; M461-F549 HydrophobicContact CE-CE2 3.52Å; M461-F549 HydrophobicContact SD-CD2 3.48Å; M461-F549 WeakPolarHBondContact SD-CD2 3.37Å; M461-F549 HydrophobicContact SD-CE2 3.49Å; M461-F549 WeakPolarHBondContact SD-CE2 3.34Å; K464-F549 HydrophobicContact CB-CD1 4.22Å; K464-F549 HydrophobicContact CB-CE1 3.85Å; K464-F549 HydrophobicContact CB-CE2 4.18Å; K464-F549 HydrophobicContact CB-CZ 3.82Å; K464-F549 HydrophobicContact CD-CB 3.98Å; K464-F549 HydrophobicContact CD-CD1 3.93Å; K464-F549 HydrophobicContact CD-CD2 3.99Å; K464-F549 HydrophobicContact CD-CE1 4.39Å; K464-F549 HydrophobicContact CD-CE2 4.45Å; K464-F549 HydrophobicContact CD-CG 3.69Å; K464-F549 HydrophobicContact CG-CD1 4.43Å; L465-F549 HydrophobicContact CD2-CE2 4.41Å; L465-F549 HydrophobicContact CD2-CZ 4.44Å; V468-F549 HydrophobicContact CG2-CE1 4.11Å; V468-F549 HydrophobicContact CG2-CZ 4.14Å; F543-F549 HydrophobicContact CB-CE2 4.41Å; F543-F549 HydrophobicContact CD2-CE2 4.36Å; T544-F549 CarbonylContact O-C 3.43Å; T544-F549 VanDerWaalsContact O-CA 3.22Å; T544-F549 WeakPolarHBondContact O-CA 3.31Å; F549-V551 HydrophobicContact CD1-CG2 4.37Å; F549-V551 HydrophobicContact CE1-CG2 3.55Å; F549-V551 HydrophobicContact CZ-CG2 3.75Å
550	R	94.5	Very high	92.7	Very high	103 Å²	103	66.4 Å²	66.4	39%	0.389	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.7	177.7	-70.7	175.7	71.4	-167.7	4.3	109.7	F543 T544 K548 F552 D600	F543-R550 VanDerWaalsContact CA-O 3.24Å; F543-R550 WeakPolarHBondContact CA-O 3.47Å; T544-R550 HydrophobicContact CG2-CB 4.19Å; T544-R550 PolarHBondContact N-O 3.15Å; T544-R550 PolarHBondContact O-N 2.82Å; K548-R550 PolarHBondContact O-N 2.79Å; K548-R550 VanDerWaalsContact O-N 3.08Å; R550-F552 HydrophobicContact CB-CE2 4.06Å; R550-F552 HydrophobicContact CB-CZ 4.06Å; R550-F552 VanDerWaalsContact CZ-CZ 3.49Å; R550-D600 IonicContact CZ-OD2 3.27Å; R550-D600 IonicContact NH1-OD2 2.74Å; R550-D600 PolarHBondContact NH1-OD2 2.77Å; R550-D600 IonicContact NH2-OD2 3.19Å; R550-D600 PolarHBondContact NH2-OD2 3.09Å
551	V	95.1	Very high	92.8	Very high	40 Å²	40	66.5 Å²	66.5	24%	0.242	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.8	179.5	180	0	0	0	0	108.5	V468 L541 L542 F543 F549 R553	V468-V551 HydrophobicContact CG1-CG1 3.68Å; V468-V551 HydrophobicContact CG1-CG2 4.05Å; V468-V551 HydrophobicContact CG2-CG2 3.65Å; L541-V551 HydrophobicContact CD1-CG1 3.95Å; L541-V551 HydrophobicContact CD2-CG1 3.98Å; L541-V551 HydrophobicContact CG-CG1 4.37Å; L542-V551 WeakPolarHBondContact O-CA 3.42Å; F543-V551 HydrophobicContact CB-CG2 4.46Å; F549-V551 HydrophobicContact CD1-CG2 4.37Å; F549-V551 HydrophobicContact CE1-CG2 3.55Å; F549-V551 HydrophobicContact CZ-CG2 3.75Å; V551-R553 HydrophobicContact CG1-CG 4.34Å
552	F	95.9	Very high	92.8	Very high	15 Å²	15	66.2 Å²	66.2	7%	0.066	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	98.6	-178	-55.7	-81.5	0	0	0	108.9	L541 L542 T544 R550 F597 N599 L602	L541-F552 VanDerWaalsContact CA-O 3.32Å; L541-F552 WeakPolarHBondContact CA-O 3.32Å; L541-F552 VanDerWaalsContact CB-O 3.31Å; L541-F552 WeakPolarHBondContact CB-O 3.48Å; L542-F552 HydrophobicContact CB-CB 4.29Å; L542-F552 HydrophobicContact CB-CD2 4.4Å; L542-F552 PolarHBondContact N-O 3.02Å; L542-F552 PolarHBondContact O-N 3.07Å; T544-F552 HydrophobicContact CG2-CE2 3.98Å; R550-F552 HydrophobicContact CB-CE2 4.06Å; R550-F552 HydrophobicContact CB-CZ 4.06Å; R550-F552 VanDerWaalsContact CZ-CZ 3.49Å; F552-F597 HydrophobicContact CB-CB 4.13Å; F552-N599 HydrophobicContact CB-CB 3.87Å; F552-N599 VanDerWaalsContact CD1-CA 3.43Å; F552-N599 HydrophobicContact CD1-CB 3.71Å; F552-N599 HydrophobicContact CD2-CB 3.77Å; F552-N599 HydrophobicContact CE1-CB 4.06Å; F552-N599 HydrophobicContact CE2-CB 4.13Å; F552-N599 HydrophobicContact CG-CB 3.51Å; F552-N599 HydrophobicContact CZ-CB 4.26Å; F552-L602 HydrophobicContact CD2-CD2 3.92Å; F552-L602 HydrophobicContact CE2-CD2 3.73Å
553	R	93.6	Very high	92.7	Very high	154 Å²	154	70.4 Å²	70.4	58%	0.581	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	161	178.3	-68.1	-171.2	171.3	89.9	0.8	110.9	L541 V551 T555	L541-R553 HydrophobicContact CB-CG 4.36Å; L541-R553 HydrophobicContact CD2-CG 4.31Å; V551-R553 HydrophobicContact CG1-CG 4.34Å; R553-T555 PolarHBondContact O-N 3.4Å
554	W	93.3	Very high	92.6	Very high	89 Å²	89	70.4 Å²	70.4	34%	0.337	34%	0.336	S	S	.	.			trans	-54.8	129.8	174.4	-176.6	53.5	0	0	0	111.9	N558 E559 T596 F597	W554-N558 PolarHBondContact NE1-O 2.78Å; W554-E559 HydrophobicContact CZ2-CG 4.29Å; W554-T596 WeakPolarHBondContact CA-O 3.39Å; W554-F597 HydrophobicContact CB-CD1 4.5Å; W554-F597 HydrophobicContact CB-CE1 4.44Å
555	T	92.5	Very high	92.6	Very high	60 Å²	60	71.9 Å²	71.9	37%	0.368	35%	0.347	S	S	.	.			trans	-83.4	-14.6	-176.6	61.6	0	0	0	0	113.4	R553 Q557 E595 T596	R553-T555 PolarHBondContact O-N 3.4Å; T555-Q557 VanDerWaalsContact C-N 3.28Å; T555-Q557 PolarHBondContact O-N 2.89Å; T555-Q557 WeakPolarHBondContact OG1-CB 3.43Å; T555-Q557 WeakPolarHBondContact OG1-CG 3.37Å; T555-Q557 PolarHBondContact OG1-N 2.94Å; T555-E595 WeakPolarHBondContact CG2-O 3.47Å; T555-E595 PolarHBondContact OG1-O 2.93Å; T555-T596 PolarHBondContact N-O 3.12Å; T555-T596 PolarHBondContact OG1-O 2.76Å; T555-T596 VanDerWaalsContact OG1-O 3.1Å
556	G	89.7	Confident	92.6	Very high	46 Å²	46	75 Å²	75	47%	0.474	36%	0.362	S	S	.	.	S	Bend	trans	78.3	2.9	-171.6	0	0	0	0	0	115
557	Q	88.9	Confident	93	Very high	147 Å²	147	79.5 Å²	79.5	69%	0.687	38%	0.384	S	S	*	.	S	Bend	trans	-75.5	-34.2	-175.9	-66	-67.2	-20.3	0	0	113.7	T555 E595	T555-Q557 VanDerWaalsContact C-N 3.28Å; T555-Q557 PolarHBondContact O-N 2.89Å; T555-Q557 WeakPolarHBondContact OG1-CB 3.43Å; T555-Q557 WeakPolarHBondContact OG1-CG 3.37Å; T555-Q557 PolarHBondContact OG1-N 2.94Å; Q557-E595 HydrophobicContact CB-CB 4.48Å
558	N	90.7	Very high	93.5	Very high	22 Å²	22	75.6 Å²	75.6	12%	0.118	36%	0.359	C	S	.	.			trans	-154.7	166.2	178	68.5	54.9	0	0	0	110.9	W554 Y560 A573 T596	W554-N558 PolarHBondContact NE1-O 2.78Å; N558-Y560 HydrophobicContact CB-CD2 3.91Å; N558-Y560 HydrophobicContact CB-CE2 4.16Å; N558-Y560 HydrophobicContact CB-CG 4.42Å; N558-Y560 WeakPolarHBondContact OD1-CB 3.33Å; N558-Y560 PolarHBondContact OD1-N 2.93Å; N558-A573 PolarHBondContact ND2-O 3.06Å; N558-T596 PolarHBondContact ND2-OG1 2.83Å; N558-T596 WeakPolarHBondContact OD1-CB 2.91Å; N558-T596 WeakPolarHBondContact OD1-CG2 3.27Å; N558-T596 PolarHBondContact OD1-OG1 3.05Å
559	E	91	Very high	93.8	Very high	147 Å²	147	68 Å²	68	69%	0.687	33%	0.326	S	S	*	.			trans	-103.1	20.4	-178.8	-60.5	-179	161.2	0	0	112.7	W554 I561	W554-E559 HydrophobicContact CZ2-CG 4.29Å; E559-I561 PolarHBondContact O-N 3.49Å
560	Y	94.3	Very high	94	Very high	119 Å²	119	65.8 Å²	65.8	47%	0.467	32%	0.318	S	S	.	.			trans	-83.4	56.2	-176.8	-53.6	-37.9	0	0	0	112.1	F534 N558 G572 A573	F534-Y560 HydrophobicContact CB-CD1 4.27Å; F534-Y560 HydrophobicContact CD1-CD1 4.48Å; F534-Y560 HydrophobicContact CD1-CG 4.49Å; F534-Y560 AromaticContact CD2-CD1 3.51Å; F534-Y560 HydrophobicContact CD2-CD1 3.51Å; F534-Y560 HydrophobicContact CD2-CE1 4.24Å; F534-Y560 HydrophobicContact CD2-CG 4.12Å; F534-Y560 AromaticContact CE2-CD1 3.89Å; F534-Y560 HydrophobicContact CE2-CD1 3.89Å; F534-Y560 HydrophobicContact CE2-CG 4.16Å; F534-Y560 AromaticContact CG-CD1 3.85Å; F534-Y560 HydrophobicContact CG-CD1 3.85Å; F534-Y560 HydrophobicContact CG-CG 4.29Å; F534-Y560 HydrophobicContact CZ-CG 4.37Å; N558-Y560 HydrophobicContact CB-CD2 3.91Å; N558-Y560 HydrophobicContact CB-CE2 4.16Å; N558-Y560 HydrophobicContact CB-CG 4.42Å; N558-Y560 WeakPolarHBondContact OD1-CB 3.33Å; N558-Y560 PolarHBondContact OD1-N 2.93Å; Y560-G572 CarbonylContact O-C 3.5Å; Y560-G572 VanDerWaalsContact O-CA 3.3Å; Y560-G572 WeakPolarHBondContact O-CA 3.44Å; Y560-A573 WeakPolarHBondContact CB-O 3.37Å; Y560-A573 PolarHBondContact O-N 3.5Å
561	I	94.4	Very high	94.1	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.015	30%	0.3	C	S	.	.			trans	-76.4	-54.5	-166.3	-59.5	-176.9	0	0	0	112.1	T537 S540 E559 L571 G572 T596 F597	T537-I561 VanDerWaalsContact O-CD1 3.25Å; T537-I561 WeakPolarHBondContact O-CD1 3.46Å; S540-I561 WeakPolarHBondContact OG-CG2 3.46Å; E559-I561 PolarHBondContact O-N 3.49Å; I561-L571 CarbonylContact O-C 3.56Å; I561-L571 WeakPolarHBondContact O-CA 3.2Å; I561-G572 PolarHBondContact O-N 2.85Å; I561-T596 HydrophobicContact CG1-CG2 4.03Å; I561-F597 HydrophobicContact CG2-CZ 3.94Å
562	V	96.1	Very high	94.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.6	178.4	-174.9	0	0	0	0	110	V524 F528 F534 Y535 L569 A570 L571	V524-V562 HydrophobicContact CB-CG2 4.27Å; V524-V562 HydrophobicContact CG1-CG2 3.48Å; V524-V562 VanDerWaalsContact CG1-CG2 3.48Å; V524-V562 HydrophobicContact CG2-CG2 3.72Å; F528-V562 HydrophobicContact CD1-CG1 4.29Å; F528-V562 HydrophobicContact CE1-CG1 4.38Å; F534-V562 CarbonylContact C-O 3.49Å; F534-V562 WeakPolarHBondContact CA-O 3.38Å; Y535-V562 HydrophobicContact CD1-CB 4.46Å; Y535-V562 HydrophobicContact CD2-CB 4.02Å; Y535-V562 HydrophobicContact CD2-CG1 4.36Å; Y535-V562 HydrophobicContact CE1-CB 4.25Å; Y535-V562 HydrophobicContact CE1-CG1 3.88Å; Y535-V562 HydrophobicContact CE2-CB 3.76Å; Y535-V562 HydrophobicContact CE2-CG1 3.61Å; Y535-V562 HydrophobicContact CE2-CG2 4.43Å; Y535-V562 HydrophobicContact CG-CB 4.4Å; Y535-V562 PolarHBondContact N-O 2.86Å; Y535-V562 WeakPolarHBondContact O-CB 3.4Å; Y535-V562 PolarHBondContact O-N 2.79Å; Y535-V562 WeakPolarHBondContact OH-CG1 3.36Å; V562-L569 HydrophobicContact CG1-CD1 4.02Å; V562-A570 WeakPolarHBondContact CA-O 3.26Å; V562-L571 HydrophobicContact CB-CD2 4.1Å; V562-L571 HydrophobicContact CG1-CD2 3.73Å; V562-L571 HydrophobicContact CG2-CD2 3.56Å
563	K	95.4	Very high	94	Very high	88 Å²	88	59 Å²	59	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	114.5	168.3	-178.4	171.5	-178.5	174.4	0	109.2	F534 A570	F534-K563 HydrophobicContact CD1-CB 3.69Å; F534-K563 HydrophobicContact CE1-CB 3.53Å; F534-K563 HydrophobicContact CE1-CD 4Å; F534-K563 HydrophobicContact CE1-CG 4.38Å; F534-K563 HydrophobicContact CE2-CD 4.15Å; F534-K563 HydrophobicContact CG-CB 4.44Å; F534-K563 HydrophobicContact CZ-CB 4.19Å; F534-K563 HydrophobicContact CZ-CD 3.77Å; K563-A570 HydrophobicContact CB-CB 4.49Å; K563-A570 PolarHBondContact N-O 3.37Å; K563-A570 PolarHBondContact O-N 3.19Å
564	G	95	Very high	93.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.7	174.5	0	0	0	0	0	110.4	Y495 V530 S531	Y495-G564 WeakPolarHBondContact OH-CA 3.44Å; V530-G564 CarbonylContact C-O 3.46Å; V530-G564 WeakPolarHBondContact CA-O 3.43Å; S531-G564 PolarHBondContact N-O 3.41Å
565	S	95.2	Very high	93.5	Very high	34 Å²	34	55.6 Å²	55.6	24%	0.238	28%	0.284	C	S	.	.			trans	-124.9	170.7	170.5	66.8	0	0	0	0	109.5	Y495 E567 S568	Y495-S565 VanDerWaalsContact CE2-O 3.23Å; Y495-S565 WeakPolarHBondContact CE2-O 3.45Å; Y495-S565 PolarHBondContact OH-N 3.04Å; Y495-S565 PolarHBondContact OH-O 2.94Å; S565-E567 PolarHBondContact O-N 2.86Å; S565-E567 PolarHBondContact OG-N 3.22Å; S565-S568 CarbonylContact C-O 3.58Å; S565-S568 WeakPolarHBondContact CA-O 3.17Å; S565-S568 PolarHBondContact N-O 2.8Å; S565-S568 VanDerWaalsContact O-O 3.09Å; S565-S568 PolarHBondContact OG-N 3.05Å; S565-S568 PolarHBondContact OG-O 2.7Å; S565-S568 PolarHBondContact OG-OG 3.4Å
566	L	94.1	Very high	93.2	Very high	127 Å²	127	56.4 Å²	56.4	67%	0.665	30%	0.303	S	S	*	.	S	Bend	trans	-65.3	-28.9	173.4	-65.9	174.2	0	0	0	112.3	V530	V530-L566 HydrophobicContact CG2-CD2 3.96Å
567	E	94.3	Very high	93.3	Very high	158 Å²	158	58.8 Å²	58.8	74%	0.738	30%	0.301	S	S	*	.	S	Bend	trans	-94.8	-19.7	-174.7	-63.2	-178.9	177.8	0	0	113.4	S565 D583 S584	S565-E567 PolarHBondContact O-N 2.86Å; S565-E567 PolarHBondContact OG-N 3.22Å; E567-D583 CarbonylContact O-C 3.59Å; E567-S584 PolarHBondContact O-N 3.46Å
568	S	95.7	Very high	93.6	Very high	22 Å²	22	53.4 Å²	53.4	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	156.3	-176.1	62.8	0	0	0	0	113.9	L491 S565 W581 L582	L491-S568 VanDerWaalsContact CD2-C 3.44Å; S565-S568 CarbonylContact C-O 3.58Å; S565-S568 WeakPolarHBondContact CA-O 3.17Å; S565-S568 PolarHBondContact N-O 2.8Å; S565-S568 VanDerWaalsContact O-O 3.09Å; S565-S568 PolarHBondContact OG-N 3.05Å; S565-S568 PolarHBondContact OG-O 2.7Å; S565-S568 PolarHBondContact OG-OG 3.4Å; S568-W581 PolarHBondContact OG-NE1 3.15Å; S568-L582 CarbonylContact C-O 3.51Å; S568-L582 WeakPolarHBondContact CA-O 3.38Å; S568-L582 VanDerWaalsContact CB-O 3.25Å; S568-L582 WeakPolarHBondContact CB-O 3.23Å
569	L	97.3	Very high	93.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.6	169.1	176.7	63.8	0	0	0	109.2	L491 M494 L510 F528 V562 W581 L582	L491-L569 HydrophobicContact CD1-CB 3.93Å; L491-L569 HydrophobicContact CD1-CD2 4.33Å; L491-L569 HydrophobicContact CD2-CB 4.09Å; M494-L569 HydrophobicContact CE-CD2 3.63Å; L510-L569 HydrophobicContact CD2-CD2 3.99Å; F528-L569 HydrophobicContact CD1-CD1 3.89Å; F528-L569 HydrophobicContact CD1-CD2 3.89Å; F528-L569 HydrophobicContact CE1-CD1 4.45Å; F528-L569 HydrophobicContact CE1-CD2 4.2Å; F528-L569 HydrophobicContact CG-CD2 4.39Å; V562-L569 HydrophobicContact CG1-CD1 4.02Å; L569-W581 CarbonylContact O-C 3.49Å; L569-W581 WeakPolarHBondContact O-CA 3.42Å; L569-L582 PolarHBondContact N-O 3.2Å; L569-L582 PolarHBondContact O-N 3.18Å
570	A	97	Very high	94.2	Very high	6 Å²	6	45.5 Å²	45.5	5%	0.05	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.4	-179.7	0	0	0	0	0	111.7	V562 K563 N578 L580	V562-A570 WeakPolarHBondContact CA-O 3.26Å; K563-A570 HydrophobicContact CB-CB 4.49Å; K563-A570 PolarHBondContact N-O 3.37Å; K563-A570 PolarHBondContact O-N 3.19Å; A570-N578 HydrophobicContact CB-CB 4.39Å; A570-L580 CarbonylContact C-O 3.6Å; A570-L580 VanDerWaalsContact CA-O 3.32Å; A570-L580 WeakPolarHBondContact CA-O 3.47Å
571	L	97.2	Very high	94.4	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.5	170.8	-50.6	-176.1	0	0	0	110.3	L510 V524 F528 L542 I561 V562 G579 L580	L510-L571 HydrophobicContact CD2-CD1 4.17Å; V524-L571 HydrophobicContact CG2-CD1 4.35Å; V524-L571 HydrophobicContact CG2-CD2 3.92Å; F528-L571 HydrophobicContact CE1-CD2 3.88Å; L542-L571 HydrophobicContact CD2-CB 3.89Å; L542-L571 HydrophobicContact CD2-CD1 3.87Å; I561-L571 CarbonylContact O-C 3.56Å; I561-L571 WeakPolarHBondContact O-CA 3.2Å; V562-L571 HydrophobicContact CB-CD2 4.1Å; V562-L571 HydrophobicContact CG1-CD2 3.73Å; V562-L571 HydrophobicContact CG2-CD2 3.56Å; L571-G579 WeakPolarHBondContact O-CA 3.48Å; L571-G579 PolarHBondContact O-N 2.85Å; L571-G579 VanDerWaalsContact O-N 3.11Å; L571-L580 HydrophobicContact CB-CB 4.26Å; L571-L580 HydrophobicContact CD1-CD2 4.14Å; L571-L580 PolarHBondContact N-O 2.84Å; L571-L580 PolarHBondContact O-N 3.4Å
572	G	95.3	Very high	94.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.3	95.7	176	0	0	0	0	0	111.8	Y560 I561 N578 G579 C594	Y560-G572 CarbonylContact O-C 3.5Å; Y560-G572 VanDerWaalsContact O-CA 3.3Å; Y560-G572 WeakPolarHBondContact O-CA 3.44Å; I561-G572 PolarHBondContact O-N 2.85Å; G572-N578 CarbonylContact O-C 3.56Å; G572-N578 VanDerWaalsContact O-CA 3.24Å; G572-N578 WeakPolarHBondContact O-CA 3.31Å; G572-G579 PolarHBondContact O-N 3.25Å; G572-C594 VanDerWaalsContact O-CB 3.3Å; G572-C594 WeakPolarHBondContact O-CB 3.14Å; G572-C594 PolarHBondContact O-SG 3.35Å
573	A	93.3	Very high	94.6	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.2	176.5	0	0	0	0	0	112.1	F534 N558 Y560 F577 N578 T596	F534-A573 HydrophobicContact CE1-CB 3.51Å; F534-A573 HydrophobicContact CZ-CB 3.61Å; N558-A573 PolarHBondContact ND2-O 3.06Å; Y560-A573 WeakPolarHBondContact CB-O 3.37Å; Y560-A573 PolarHBondContact O-N 3.5Å; A573-F577 WeakPolarHBondContact CA-O 3.41Å; A573-N578 WeakPolarHBondContact CB-OD1 3.29Å; A573-T596 PolarHBondContact N-OG1 3.5Å; A573-T596 PolarHBondContact O-OG1 3.21Å
574	G	88.2	Confident	94.6	Very high	6 Å²	6	41 Å²	41	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	139.9	173.1	0	0	0	0	0	110.4	G576 F577	G574-G576 PolarHBondContact O-N 3.37Å; G574-F577 PolarHBondContact N-O 3.36Å; G574-F577 PolarHBondContact O-N 3.25Å
575	K	86.8	Confident	94.5	Very high	165 Å²	165	44.3 Å²	44.3	72%	0.717	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	25.5	178.7	-67.7	171.4	161.8	149.7	0	115.2	E595	K575-E595 HydrophobicContact CD-CG 4.3Å; K575-E595 VanDerWaalsContact CD-OE1 3.32Å; K575-E595 WeakPolarHBondContact CD-OE1 3.47Å; K575-E595 WeakPolarHBondContact CE-OE1 3.42Å; K575-E595 IonicContact NZ-OE1 3.82Å; K575-E595 PolarHBondContact NZ-OE1 2.82Å
576	G	87.5	Confident	94.5	Very high	76 Å²	76	42.7 Å²	42.7	78%	0.784	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	-3.8	-179	0	0	0	0	0	115.1	G574	G574-G576 PolarHBondContact O-N 3.37Å
577	F	92.3	Very high	94.5	Very high	96 Å²	96	41.7 Å²	41.7	42%	0.421	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	158.3	178.6	-56.1	-63.4	0	0	0	111.2	A573 G574 E592	A573-F577 WeakPolarHBondContact CA-O 3.41Å; G574-F577 PolarHBondContact N-O 3.36Å; G574-F577 PolarHBondContact O-N 3.25Å; F577-E592 HydrophobicContact CB-CB 4.03Å; F577-E592 WeakPolarHBondContact CD1-OE1 3.26Å; F577-E592 WeakPolarHBondContact CD1-OE2 3.39Å; F577-E592 VanDerWaalsContact CE1-OE1 3.28Å; F577-E592 WeakPolarHBondContact CE1-OE1 3.41Å
578	N	95.3	Very high	94.6	Very high	35 Å²	35	40.9 Å²	40.9	19%	0.187	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.4	178.3	-57.2	-56.7	0	0	0	109.8	A570 G572 A573 L580 W581 E592	A570-N578 HydrophobicContact CB-CB 4.39Å; G572-N578 CarbonylContact O-C 3.56Å; G572-N578 VanDerWaalsContact O-CA 3.24Å; G572-N578 WeakPolarHBondContact O-CA 3.31Å; A573-N578 WeakPolarHBondContact CB-OD1 3.29Å; N578-L580 PolarHBondContact O-N 2.8Å; N578-W581 HydrophobicContact CB-CB 3.97Å; N578-E592 PolarHBondContact O-N 2.98Å; N578-E592 VanDerWaalsContact O-N 3.14Å
579	G	96.3	Very high	94.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	-42.5	173.7	0	0	0	0	0	111.1	L571 G572 T591 E592	L571-G579 WeakPolarHBondContact O-CA 3.48Å; L571-G579 PolarHBondContact O-N 2.85Å; L571-G579 VanDerWaalsContact O-N 3.11Å; G572-G579 PolarHBondContact O-N 3.25Å; G579-T591 WeakPolarHBondContact O-CA 3.22Å; G579-T591 WeakPolarHBondContact O-CB 3.27Å; G579-T591 PolarHBondContact O-OG1 3.5Å; G579-E592 WeakPolarHBondContact CA-O 3.28Å
580	L	97.6	Very high	94.6	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.9	170.1	-179.2	62.4	0	0	0	109.6	L510 V512 F520 L542 A570 L571 N578 L582 R590 L602 F608	L510-L580 HydrophobicContact CD2-CD2 4.39Å; V512-L580 HydrophobicContact CG2-CD2 4.44Å; F520-L580 HydrophobicContact CD2-CD1 4.08Å; F520-L580 HydrophobicContact CE2-CD1 3.76Å; L542-L580 HydrophobicContact CD2-CB 4.43Å; A570-L580 CarbonylContact C-O 3.6Å; A570-L580 VanDerWaalsContact CA-O 3.32Å; A570-L580 WeakPolarHBondContact CA-O 3.47Å; L571-L580 HydrophobicContact CB-CB 4.26Å; L571-L580 HydrophobicContact CD1-CD2 4.14Å; L571-L580 PolarHBondContact N-O 2.84Å; L571-L580 PolarHBondContact O-N 3.4Å; N578-L580 PolarHBondContact O-N 2.8Å; L580-L582 HydrophobicContact CD1-CD2 4.1Å; L580-L582 HydrophobicContact CG-CD2 4.43Å; L580-R590 CarbonylContact C-O 3.57Å; L580-L602 HydrophobicContact CB-CD1 4.24Å; L580-L602 HydrophobicContact CD1-CD1 4.48Å; L580-F608 HydrophobicContact CD1-CE1 4.19Å; L580-F608 HydrophobicContact CD1-CZ 3.66Å
581	W	97.6	Very high	94.6	Very high	50 Å²	50	44.3 Å²	44.3	19%	0.189	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.1	174.9	-179.9	93.2	0	0	0	109.4	S568 L569 N578 D583 G589 R590	S568-W581 PolarHBondContact OG-NE1 3.15Å; L569-W581 CarbonylContact O-C 3.49Å; L569-W581 WeakPolarHBondContact O-CA 3.42Å; N578-W581 HydrophobicContact CB-CB 3.97Å; W581-D583 HydrophobicContact CH2-CB 3.67Å; W581-D583 HydrophobicContact CZ3-CB 3.93Å; W581-G589 CarbonylContact O-C 3.58Å; W581-G589 WeakPolarHBondContact O-CA 3.43Å; W581-R590 HydrophobicContact CB-CB 4.44Å; W581-R590 HydrophobicContact CE3-CB 4.37Å; W581-R590 HydrophobicContact CE3-CG 4.28Å; W581-R590 PolarHBondContact N-O 3Å; W581-R590 PolarHBondContact O-N 3.17Å
582	L	97.8	Very high	94.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141	179	-51.5	173.7	0	0	0	109.2	L510 V512 S568 L569 L580 F586 F608 I610	L510-L582 HydrophobicContact CD2-CD1 3.98Å; V512-L582 HydrophobicContact CG1-CD2 4.46Å; V512-L582 HydrophobicContact CG2-CD1 3.97Å; V512-L582 HydrophobicContact CG2-CD2 4.26Å; S568-L582 CarbonylContact C-O 3.51Å; S568-L582 WeakPolarHBondContact CA-O 3.38Å; S568-L582 VanDerWaalsContact CB-O 3.25Å; S568-L582 WeakPolarHBondContact CB-O 3.23Å; L569-L582 PolarHBondContact N-O 3.2Å; L569-L582 PolarHBondContact O-N 3.18Å; L580-L582 HydrophobicContact CD1-CD2 4.1Å; L580-L582 HydrophobicContact CG-CD2 4.43Å; L582-F586 HydrophobicContact CB-CD1 4.26Å; L582-F586 HydrophobicContact CB-CE1 4.37Å; L582-F586 HydrophobicContact CD1-CD1 4.21Å; L582-F586 HydrophobicContact CD1-CE1 3.97Å; L582-F608 HydrophobicContact CD2-CE2 4.2Å; L582-F608 HydrophobicContact CD2-CZ 4.11Å; L582-I610 HydrophobicContact CB-CD1 4.46Å; L582-I610 HydrophobicContact CD2-CD1 3.62Å; L582-I610 HydrophobicContact CD2-CG1 4.29Å
583	D	96.9	Very high	94.5	Very high	23 Å²	23	50.2 Å²	50.2	12%	0.123	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	172.3	174.7	66.9	1.1	0	0	0	113.2	E567 W581 D585 F586 Y587 R588	E567-D583 CarbonylContact O-C 3.59Å; W581-D583 HydrophobicContact CH2-CB 3.67Å; W581-D583 HydrophobicContact CZ3-CB 3.93Å; D583-D585 PolarHBondContact O-N 2.84Å; D583-F586 PolarHBondContact O-N 3.23Å; D583-F586 WeakPolarHBondContact OD1-CA 3.49Å; D583-F586 PolarHBondContact OD1-N 2.84Å; D583-Y587 PolarHBondContact OD1-N 2.96Å; D583-R588 VanDerWaalsContact CG-N 3.34Å; D583-R588 PolarHBondContact N-O 3Å; D583-R588 VanDerWaalsContact N-O 3.1Å; D583-R588 PolarHBondContact OD1-N 2.91Å; D583-R588 WeakPolarHBondContact OD2-CB 3.3Å; D583-R588 PolarHBondContact OD2-N 2.83Å
584	S	95.7	Very high	94.6	Very high	42 Å²	42	50 Å²	50	29%	0.294	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.8	179.8	57.6	0	0	0	0	113.8	L491 E567	L491-S584 WeakPolarHBondContact CB-O 3.35Å; L491-S584 PolarHBondContact N-O 3.28Å; E567-S584 PolarHBondContact O-N 3.46Å
585	D	92.9	Very high	94.8	Very high	69 Å²	69	53.2 Å²	53.2	37%	0.369	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	3.9	-173	-78.7	25.7	0	0	0	112.2	K115 F489 D583 Y587	K115-D585 IonicContact NZ-OD2 3.21Å; K115-D585 PolarHBondContact NZ-OD2 3.03Å; F489-D585 WeakPolarHBondContact CB-O 3.43Å; F489-D585 CarbonylContact O-C 3.59Å; D583-D585 PolarHBondContact O-N 2.84Å; D585-Y587 PolarHBondContact O-N 3.01Å
586	F	95.1	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	41.5	43.1	-169.5	-67.5	-54.4	0	0	0	112.8	Y482 F489 L491 M494 L582 D583 I610 V613	Y482-F586 HydrophobicContact CE1-CD2 4.1Å; Y482-F586 AromaticContact CE1-CE2 3.56Å; Y482-F586 HydrophobicContact CE1-CE2 3.56Å; Y482-F586 HydrophobicContact CE1-CZ 4.22Å; Y482-F586 AromaticContact CZ-CD2 3.98Å; Y482-F586 AromaticContact CZ-CE2 3.59Å; Y482-F586 WeakPolarHBondContact OH-CD2 3.09Å; Y482-F586 WeakPolarHBondContact OH-CE2 3.5Å; F489-F586 HydrophobicContact CB-CB 4.42Å; F489-F586 HydrophobicContact CD1-CB 3.97Å; F489-F586 WeakPolarHBondContact CD1-O 3.15Å; L491-F586 VanDerWaalsContact CA-CE2 3.41Å; L491-F586 HydrophobicContact CB-CE1 4.42Å; L491-F586 HydrophobicContact CB-CE2 4.11Å; L491-F586 HydrophobicContact CB-CZ 3.97Å; L491-F586 HydrophobicContact CD1-CE1 3.92Å; L491-F586 HydrophobicContact CD1-CE2 4.35Å; L491-F586 HydrophobicContact CD1-CZ 3.49Å; L491-F586 VanDerWaalsContact CD1-CZ 3.49Å; L491-F586 HydrophobicContact CG-CZ 4.35Å; M494-F586 HydrophobicContact CB-CE2 4.09Å; M494-F586 HydrophobicContact CB-CZ 4.16Å; M494-F586 HydrophobicContact CE-CZ 3.96Å; M494-F586 HydrophobicContact SD-CE2 4.44Å; M494-F586 HydrophobicContact SD-CZ 3.75Å; L582-F586 HydrophobicContact CB-CD1 4.26Å; L582-F586 HydrophobicContact CB-CE1 4.37Å; L582-F586 HydrophobicContact CD1-CD1 4.21Å; L582-F586 HydrophobicContact CD1-CE1 3.97Å; D583-F586 PolarHBondContact O-N 3.23Å; D583-F586 WeakPolarHBondContact OD1-CA 3.49Å; D583-F586 PolarHBondContact OD1-N 2.84Å; F586-I610 HydrophobicContact CB-CD1 4.43Å; F586-I610 WeakPolarHBondContact O-CB 3.39Å; F586-I610 WeakPolarHBondContact O-CG2 3.44Å; F586-V613 HydrophobicContact CB-CG2 4.15Å; F586-V613 HydrophobicContact CD1-CG2 4.01Å; F586-V613 HydrophobicContact CE1-CG1 4.39Å; F586-V613 HydrophobicContact CG-CG2 4.09Å
587	Y	93.9	Very high	95.6	Very high	106 Å²	106	42 Å²	42	42%	0.416	20%	0.196	S	C	.	.	S	Bend	trans	-107.5	-49.9	-179.4	178.9	-122.3	0	0	0	110.8	D583 D585 L609 I610	D583-Y587 PolarHBondContact OD1-N 2.96Å; D585-Y587 PolarHBondContact O-N 3.01Å; Y587-L609 HydrophobicContact CE1-CD2 4.12Å; Y587-L609 HydrophobicContact CE2-CD2 4.14Å; Y587-L609 WeakPolarHBondContact O-CA 3.47Å; Y587-I610 PolarHBondContact O-N 3.05Å
588	R	96	Very high	95.6	Very high	141 Å²	141	39.6 Å²	39.6	53%	0.532	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138	178.6	-62.1	175.7	179.3	-116.3	2.1	110.4	D583 L609	D583-R588 VanDerWaalsContact CG-N 3.34Å; D583-R588 PolarHBondContact N-O 3Å; D583-R588 VanDerWaalsContact N-O 3.1Å; D583-R588 PolarHBondContact OD1-N 2.91Å; D583-R588 WeakPolarHBondContact OD2-CB 3.3Å; D583-R588 PolarHBondContact OD2-N 2.83Å; R588-L609 HydrophobicContact CG-CD2 4.05Å
589	G	96.7	Very high	95.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.2	168.4	0	0	0	0	0	111.9	W581 E607 F608	W581-G589 CarbonylContact O-C 3.58Å; W581-G589 WeakPolarHBondContact O-CA 3.43Å; G589-E607 WeakPolarHBondContact O-CA 3.05Å; G589-F608 VanDerWaalsContact C-CE1 3.49Å; G589-F608 PolarHBondContact N-O 2.73Å; G589-F608 PolarHBondContact O-N 3.19Å
590	R	96.8	Very high	95.5	Very high	101 Å²	101	41.3 Å²	41.3	38%	0.381	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.8	175	-64.5	-170.3	-73.5	-172.6	-2	110.1	L580 W581 S606 E607	L580-R590 CarbonylContact C-O 3.57Å; W581-R590 HydrophobicContact CB-CB 4.44Å; W581-R590 HydrophobicContact CE3-CB 4.37Å; W581-R590 HydrophobicContact CE3-CG 4.28Å; W581-R590 PolarHBondContact N-O 3Å; W581-R590 PolarHBondContact O-N 3.17Å; R590-S606 CarbonylContact C-O 3.57Å; R590-S606 VanDerWaalsContact CA-O 3.28Å; R590-S606 WeakPolarHBondContact CA-O 3.34Å; R590-E607 WeakPolarHBondContact CD-OE1 3.38Å; R590-E607 HydrophobicContact CG-CB 4.4Å; R590-E607 HydrophobicContact CG-CG 3.95Å
591	T	96.8	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.			trans	-136.2	126.5	175.6	-179.2	0	0	0	0	110.3	G579 P601 L602 T603 S606 F608	G579-T591 WeakPolarHBondContact O-CA 3.22Å; G579-T591 WeakPolarHBondContact O-CB 3.27Å; G579-T591 PolarHBondContact O-OG1 3.5Å; T591-P601 HydrophobicContact CG2-CB 4.3Å; T591-L602 HydrophobicContact CG2-CB 4.24Å; T591-L602 WeakPolarHBondContact OG1-CB 3.32Å; T591-L602 WeakPolarHBondContact OG1-CG 3.37Å; T591-L602 PolarHBondContact OG1-N 2.91Å; T591-T603 HydrophobicContact CG2-CG2 3.82Å; T591-S606 PolarHBondContact N-O 2.63Å; T591-S606 WeakPolarHBondContact O-CB 3.31Å; T591-F608 HydrophobicContact CG2-CD1 4.07Å; T591-F608 HydrophobicContact CG2-CE1 3.88Å
592	E	96.1	Very high	95.2	Very high	63 Å²	63	41.3 Å²	41.3	29%	0.294	21%	0.213	S	C	.	.			trans	-137.9	172.6	-179.3	-68.9	-175.7	87.4	0	0	109.8	F577 N578 G579 N599	F577-E592 HydrophobicContact CB-CB 4.03Å; F577-E592 WeakPolarHBondContact CD1-OE1 3.26Å; F577-E592 WeakPolarHBondContact CD1-OE2 3.39Å; F577-E592 VanDerWaalsContact CE1-OE1 3.28Å; F577-E592 WeakPolarHBondContact CE1-OE1 3.41Å; N578-E592 PolarHBondContact O-N 2.98Å; N578-E592 VanDerWaalsContact O-N 3.14Å; G579-E592 WeakPolarHBondContact CA-O 3.28Å; E592-N599 PolarHBondContact O-ND2 2.92Å
593	S	95.2	Very high	95.1	Very high	67 Å²	67	41.3 Å²	41.3	47%	0.469	21%	0.213	S	C	.	.			trans	-74.4	129.6	174	-172	0	0	0	0	110.5	N599	S593-N599 WeakPolarHBondContact CA-O 3.32Å; S593-N599 WeakPolarHBondContact CB-O 3.36Å; S593-N599 PolarHBondContact OG-O 3.31Å
594	C	95	Very high	94.7	Very high	5 Å²	5	47 Å²	47	3%	0.034	24%	0.239	C	C	.	.			trans	-125.2	151.5	175.5	84.1	0	0	0	0	112.4	G572 T596 G598 N599	G572-C594 VanDerWaalsContact O-CB 3.3Å; G572-C594 WeakPolarHBondContact O-CB 3.14Å; G572-C594 PolarHBondContact O-SG 3.35Å; C594-T596 VanDerWaalsContact C-N 3.31Å; C594-T596 PolarHBondContact O-N 2.88Å; C594-G598 VanDerWaalsContact O-CA 3.29Å; C594-G598 WeakPolarHBondContact O-CA 3.47Å; C594-G598 PolarHBondContact O-N 2.96Å; C594-N599 PolarHBondContact N-OD1 3.13Å; C594-N599 PolarHBondContact SG-OD1 2.85Å
595	E	93.6	Very high	94.5	Very high	74 Å²	74	49 Å²	49	35%	0.346	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.2	-179.6	-63.9	-177.4	147.9	0	0	112.6	T555 Q557 K575 F597	T555-E595 WeakPolarHBondContact CG2-O 3.47Å; T555-E595 PolarHBondContact OG1-O 2.93Å; Q557-E595 HydrophobicContact CB-CB 4.48Å; K575-E595 HydrophobicContact CD-CG 4.3Å; K575-E595 VanDerWaalsContact CD-OE1 3.32Å; K575-E595 WeakPolarHBondContact CD-OE1 3.47Å; K575-E595 WeakPolarHBondContact CE-OE1 3.42Å; K575-E595 IonicContact NZ-OE1 3.82Å; K575-E595 PolarHBondContact NZ-OE1 2.82Å; E595-F597 VanDerWaalsContact C-N 3.34Å; E595-F597 PolarHBondContact O-N 3.05Å
596	T	94	Very high	94.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-41.2	-176.5	-44.1	0	0	0	0	112.2	W554 T555 N558 I561 A573 C594	W554-T596 WeakPolarHBondContact CA-O 3.39Å; T555-T596 PolarHBondContact N-O 3.12Å; T555-T596 PolarHBondContact OG1-O 2.76Å; T555-T596 VanDerWaalsContact OG1-O 3.1Å; N558-T596 PolarHBondContact ND2-OG1 2.83Å; N558-T596 WeakPolarHBondContact OD1-CB 2.91Å; N558-T596 WeakPolarHBondContact OD1-CG2 3.27Å; N558-T596 PolarHBondContact OD1-OG1 3.05Å; I561-T596 HydrophobicContact CG1-CG2 4.03Å; A573-T596 PolarHBondContact N-OG1 3.5Å; A573-T596 PolarHBondContact O-OG1 3.21Å; C594-T596 VanDerWaalsContact C-N 3.31Å; C594-T596 PolarHBondContact O-N 2.88Å
597	F	95.6	Very high	94.5	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.031	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-9.8	-178	-59.9	-62.8	0	0	0	113.4	S540 L542 F552 W554 I561 E595 N599	S540-F597 WeakPolarHBondContact O-CE1 3.38Å; L542-F597 HydrophobicContact CD1-CB 4.22Å; L542-F597 HydrophobicContact CD1-CD2 3.41Å; L542-F597 VanDerWaalsContact CD1-CD2 3.41Å; L542-F597 HydrophobicContact CD1-CE2 4.01Å; L542-F597 HydrophobicContact CD1-CG 4.05Å; L542-F597 HydrophobicContact CD2-CD2 4.48Å; L542-F597 HydrophobicContact CD2-CE2 4.31Å; L542-F597 HydrophobicContact CG-CD2 3.58Å; L542-F597 HydrophobicContact CG-CE2 3.84Å; L542-F597 HydrophobicContact CG-CG 4.04Å; F552-F597 HydrophobicContact CB-CB 4.13Å; W554-F597 HydrophobicContact CB-CD1 4.5Å; W554-F597 HydrophobicContact CB-CE1 4.44Å; I561-F597 HydrophobicContact CG2-CZ 3.94Å; E595-F597 VanDerWaalsContact C-N 3.34Å; E595-F597 PolarHBondContact O-N 3.05Å; F597-N599 HydrophobicContact CB-CB 4.41Å; F597-N599 PolarHBondContact O-N 2.85Å
598	G	93.2	Very high	94.6	Very high	44 Å²	44	49.3 Å²	49.3	45%	0.454	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	33.3	-176.7	0	0	0	0	0	111.6	C594	C594-G598 VanDerWaalsContact O-CA 3.29Å; C594-G598 WeakPolarHBondContact O-CA 3.47Å; C594-G598 PolarHBondContact O-N 2.96Å
599	N	94.8	Very high	94.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-81.9	153.7	-176.7	68.6	-72.2	0	0	0	111.4	L542 F552 E592 S593 C594 F597 L602	L542-N599 HydrophobicContact CD1-CB 4.39Å; F552-N599 HydrophobicContact CB-CB 3.87Å; F552-N599 VanDerWaalsContact CD1-CA 3.43Å; F552-N599 HydrophobicContact CD1-CB 3.71Å; F552-N599 HydrophobicContact CD2-CB 3.77Å; F552-N599 HydrophobicContact CE1-CB 4.06Å; F552-N599 HydrophobicContact CE2-CB 4.13Å; F552-N599 HydrophobicContact CG-CB 3.51Å; F552-N599 HydrophobicContact CZ-CB 4.26Å; E592-N599 PolarHBondContact O-ND2 2.92Å; S593-N599 WeakPolarHBondContact CA-O 3.32Å; S593-N599 WeakPolarHBondContact CB-O 3.36Å; S593-N599 PolarHBondContact OG-O 3.31Å; C594-N599 PolarHBondContact N-OD1 3.13Å; C594-N599 PolarHBondContact SG-OD1 2.85Å; F597-N599 HydrophobicContact CB-CB 4.41Å; F597-N599 PolarHBondContact O-N 2.85Å; N599-L602 HydrophobicContact CB-CD2 4.49Å
600	D	93.7	Very high	94.6	Very high	72 Å²	72	45.8 Å²	45.8	39%	0.385	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-83.6	165	158.3	-59.8	-45.7	0	0	0	108.5	R550 L602	R550-D600 IonicContact CZ-OD2 3.27Å; R550-D600 IonicContact NH1-OD2 2.74Å; R550-D600 PolarHBondContact NH1-OD2 2.77Å; R550-D600 IonicContact NH2-OD2 3.19Å; R550-D600 PolarHBondContact NH2-OD2 3.09Å; D600-L602 PolarHBondContact O-N 3.05Å
601	P	94.4	Very high	94.5	Very high	50 Å²	50	41.5 Å²	41.5	33%	0.325	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-48.6	127.9	169.9	-27.1	35.7	0	0	0	110.9	T591 T603	T591-P601 HydrophobicContact CG2-CB 4.3Å; P601-T603 VanDerWaalsContact C-N 3.27Å; P601-T603 PolarHBondContact O-N 3.1Å
602	L	95.4	Very high	94.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-72.5	-23	-172.2	-59.8	178.7	0	0	0	112.6	F520 L542 T544 F552 L580 T591 N599 D600	F520-L602 HydrophobicContact CB-CB 4Å; F520-L602 HydrophobicContact CB-CD1 4.36Å; F520-L602 HydrophobicContact CD2-CB 4.16Å; F520-L602 HydrophobicContact CD2-CD1 4.14Å; F520-L602 HydrophobicContact CG-CB 4.03Å; L542-L602 HydrophobicContact CB-CD1 4.46Å; L542-L602 HydrophobicContact CB-CD2 4.3Å; L542-L602 HydrophobicContact CD1-CD1 4.36Å; T544-L602 WeakPolarHBondContact CB-O 3.4Å; T544-L602 HydrophobicContact CG2-CD2 4.28Å; T544-L602 PolarHBondContact OG1-O 3.18Å; F552-L602 HydrophobicContact CD2-CD2 3.92Å; F552-L602 HydrophobicContact CE2-CD2 3.73Å; L580-L602 HydrophobicContact CB-CD1 4.24Å; L580-L602 HydrophobicContact CD1-CD1 4.48Å; T591-L602 HydrophobicContact CG2-CB 4.24Å; T591-L602 WeakPolarHBondContact OG1-CB 3.32Å; T591-L602 WeakPolarHBondContact OG1-CG 3.37Å; T591-L602 PolarHBondContact OG1-N 2.91Å; N599-L602 HydrophobicContact CB-CD2 4.49Å; D600-L602 PolarHBondContact O-N 3.05Å
603	T	94.8	Very high	94.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	23%	0.225	C	C	.	.	S	Bend	trans	-143.4	158	174	-171.5	0	0	0	0	109	D514 H518 F520 T591 P601 P605 F608	D514-T603 PolarHBondContact OD2-OG1 3.26Å; H518-T603 PolarHBondContact ND1-OG1 3.23Å; F520-T603 HydrophobicContact CD1-CG2 4.42Å; F520-T603 HydrophobicContact CE1-CG2 3.64Å; F520-T603 HydrophobicContact CZ-CG2 3.8Å; T591-T603 HydrophobicContact CG2-CG2 3.82Å; P601-T603 VanDerWaalsContact C-N 3.27Å; P601-T603 PolarHBondContact O-N 3.1Å; T603-P605 CarbonylContact O-C 3.59Å; T603-F608 HydrophobicContact CG2-CB 3.91Å; T603-F608 HydrophobicContact CG2-CD1 3.38Å; T603-F608 HydrophobicContact CG2-CE1 4.08Å; T603-F608 HydrophobicContact CG2-CG 3.76Å
604	E	89.9	Confident	94.5	Very high	144 Å²	144	35.5 Å²	35.5	67%	0.673	20%	0.202	S	C	*	.	S	Bend	trans	-118.5	126.2	172.1	-67.7	-175.7	-179.4	0	0	108.3
605	P	91.6	Very high	94.5	Very high	84 Å²	84	35.3 Å²	35.3	55%	0.545	20%	0.201	S	C	.	.	S	Bend	cis	-73.3	161.7	3.8	29.4	-34.6	0	0	0	115	T603 E607	T603-P605 CarbonylContact O-C 3.59Å; P605-E607 VanDerWaalsContact C-N 3.27Å; P605-E607 WeakPolarHBondContact CG-O 3.38Å; P605-E607 PolarHBondContact O-N 2.77Å
606	S	91.7	Very high	94.5	Very high	53 Å²	53	31.8 Å²	31.8	37%	0.371	18%	0.184	S	C	.	.	S	Bend	trans	-58.6	-32.8	179.7	-60.2	0	0	0	0	114.1	R590 T591	R590-S606 CarbonylContact C-O 3.57Å; R590-S606 VanDerWaalsContact CA-O 3.28Å; R590-S606 WeakPolarHBondContact CA-O 3.34Å; T591-S606 PolarHBondContact N-O 2.63Å; T591-S606 WeakPolarHBondContact O-CB 3.31Å
607	E	95.2	Very high	94.4	Very high	117 Å²	117	31.8 Å²	31.8	55%	0.547	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.9	167.7	-54.5	-158.8	146.2	0	0	109.2	G589 R590 P605	G589-E607 WeakPolarHBondContact O-CA 3.05Å; R590-E607 WeakPolarHBondContact CD-OE1 3.38Å; R590-E607 HydrophobicContact CG-CB 4.4Å; R590-E607 HydrophobicContact CG-CG 3.95Å; P605-E607 VanDerWaalsContact C-N 3.27Å; P605-E607 WeakPolarHBondContact CG-O 3.38Å; P605-E607 PolarHBondContact O-N 2.77Å
608	F	96.1	Very high	94	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.048	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.7	-176.7	59	-92.2	0	0	0	111.3	V512 D514 F520 L580 L582 G589 T591 T603 I610	V512-F608 HydrophobicContact CG1-CE2 4.09Å; D514-F608 HydrophobicContact CB-CB 4.13Å; D514-F608 HydrophobicContact CB-CD2 4.04Å; D514-F608 HydrophobicContact CB-CG 4.34Å; F520-F608 HydrophobicContact CE2-CD2 4.43Å; F520-F608 AromaticContact CE2-CE1 3.9Å; F520-F608 HydrophobicContact CE2-CE1 3.9Å; F520-F608 AromaticContact CE2-CE2 3.72Å; F520-F608 HydrophobicContact CE2-CE2 3.72Å; F520-F608 AromaticContact CE2-CZ 3.42Å; F520-F608 HydrophobicContact CE2-CZ 3.42Å; F520-F608 VanDerWaalsContact CE2-CZ 3.42Å; F520-F608 HydrophobicContact CZ-CD1 4.08Å; F520-F608 AromaticContact CZ-CD2 3.73Å; F520-F608 HydrophobicContact CZ-CD2 3.73Å; F520-F608 AromaticContact CZ-CE1 3.83Å; F520-F608 HydrophobicContact CZ-CE1 3.83Å; F520-F608 AromaticContact CZ-CE2 3.46Å; F520-F608 HydrophobicContact CZ-CE2 3.46Å; F520-F608 VanDerWaalsContact CZ-CE2 3.46Å; F520-F608 HydrophobicContact CZ-CG 4.03Å; F520-F608 AromaticContact CZ-CZ 3.53Å; F520-F608 HydrophobicContact CZ-CZ 3.53Å; L580-F608 HydrophobicContact CD1-CE1 4.19Å; L580-F608 HydrophobicContact CD1-CZ 3.66Å; L582-F608 HydrophobicContact CD2-CE2 4.2Å; L582-F608 HydrophobicContact CD2-CZ 4.11Å; G589-F608 VanDerWaalsContact C-CE1 3.49Å; G589-F608 PolarHBondContact N-O 2.73Å; G589-F608 PolarHBondContact O-N 3.19Å; T591-F608 HydrophobicContact CG2-CD1 4.07Å; T591-F608 HydrophobicContact CG2-CE1 3.88Å; T603-F608 HydrophobicContact CG2-CB 3.91Å; T603-F608 HydrophobicContact CG2-CD1 3.38Å; T603-F608 HydrophobicContact CG2-CE1 4.08Å; T603-F608 HydrophobicContact CG2-CG 3.76Å; F608-I610 HydrophobicContact CD2-CG1 4.13Å; F608-I610 HydrophobicContact CE2-CG1 3.77Å
609	L	96.4	Very high	93.1	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.335	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.8	169.6	-61.6	179.9	0	0	0	109.1	D514 T515 Y587 R588	D514-L609 CarbonylContact C-O 3.58Å; D514-L609 VanDerWaalsContact CA-O 3.27Å; D514-L609 WeakPolarHBondContact CA-O 3.49Å; D514-L609 WeakPolarHBondContact CB-O 3.44Å; T515-L609 HydrophobicContact CG2-CB 3.74Å; T515-L609 PolarHBondContact N-O 3.14Å; Y587-L609 HydrophobicContact CE1-CD2 4.12Å; Y587-L609 HydrophobicContact CE2-CD2 4.14Å; Y587-L609 WeakPolarHBondContact O-CA 3.47Å; R588-L609 HydrophobicContact CG-CD2 4.05Å
610	I	95.9	Very high	91.6	Very high	3 Å²	3	38 Å²	38	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.2	-178.4	-63.6	159.8	0	0	0	108.7	V512 L582 F586 Y587 F608 V613	V512-I610 HydrophobicContact CG1-CG1 4.15Å; V512-I610 HydrophobicContact CG1-CG2 4.28Å; L582-I610 HydrophobicContact CB-CD1 4.46Å; L582-I610 HydrophobicContact CD2-CD1 3.62Å; L582-I610 HydrophobicContact CD2-CG1 4.29Å; F586-I610 HydrophobicContact CB-CD1 4.43Å; F586-I610 WeakPolarHBondContact O-CB 3.39Å; F586-I610 WeakPolarHBondContact O-CG2 3.44Å; Y587-I610 PolarHBondContact O-N 3.05Å; F608-I610 HydrophobicContact CD2-CG1 4.13Å; F608-I610 HydrophobicContact CE2-CG1 3.77Å; I610-V613 HydrophobicContact CG2-CG2 3.37Å
611	A	94.7	Very high	89.8	Confident	12 Å²	12	46 Å²	46	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-37.8	174.4	0	0	0	0	0	111.9	R513 D514 T515	R513-A611 WeakPolarHBondContact O-CB 3.42Å; R513-A611 PolarHBondContact O-N 3.16Å; D514-A611 WeakPolarHBondContact O-CB 3.1Å; T515-A611 HydrophobicContact CG2-CB 4.22Å
612	A	95.2	Very high	89.6	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	152.2	175.5	0	0	0	0	0	111.2	I456 S484 R513	I456-A612 HydrophobicContact CD1-CB 3.55Å; I456-A612 HydrophobicContact CG1-CB 3.91Å; S484-A612 WeakPolarHBondContact OG-CA 3.42Å; R513-A612 PolarHBondContact N-O 3.01Å; R513-A612 PolarHBondContact O-N 3.25Å
613	V	97.1	Very high	89.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.3	175.1	-176.1	0	0	0	0	109	Y482 S483 S484 L510 V511 F586 I610	Y482-V613 HydrophobicContact CE1-CB 4.38Å; Y482-V613 HydrophobicContact CE1-CG1 4.3Å; S483-V613 CarbonylContact C-O 3.48Å; S483-V613 WeakPolarHBondContact CA-O 3.24Å; S484-V613 PolarHBondContact N-O 3.21Å; S484-V613 PolarHBondContact OG-N 3.42Å; S484-V613 PolarHBondContact OG-O 3.17Å; L510-V613 HydrophobicContact CD1-CG1 3.74Å; V511-V613 CarbonylContact O-C 3.46Å; V511-V613 WeakPolarHBondContact O-CA 3.3Å; F586-V613 HydrophobicContact CB-CG2 4.15Å; F586-V613 HydrophobicContact CD1-CG2 4.01Å; F586-V613 HydrophobicContact CE1-CG1 4.39Å; F586-V613 HydrophobicContact CG-CG2 4.09Å; I610-V613 HydrophobicContact CG2-CG2 3.37Å
614	E	96.8	Very high	89	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.9	168.7	-70.8	173.1	174.7	0	0	110.2	S454 T455 I456 L480 Y482 V511 W616	S454-E614 PolarHBondContact OG-OE1 3.04Å; S454-E614 PolarHBondContact OG-OE2 3.17Å; T455-E614 PolarHBondContact N-OE1 2.98Å; T455-E614 PolarHBondContact OG1-OE1 2.85Å; I456-E614 HydrophobicContact CD1-CB 4.12Å; I456-E614 HydrophobicContact CD1-CG 3.62Å; I456-E614 HydrophobicContact CG1-CG 4.05Å; I456-E614 PolarHBondContact N-OE1 2.71Å; L480-E614 HydrophobicContact CD1-CB 4.13Å; L480-E614 HydrophobicContact CD1-CG 4.12Å; Y482-E614 CarbonylContact O-C 3.45Å; Y482-E614 VanDerWaalsContact O-CA 3.27Å; Y482-E614 WeakPolarHBondContact O-CA 3.37Å; V511-E614 HydrophobicContact CB-CB 4.38Å; V511-E614 PolarHBondContact N-O 3.1Å; V511-E614 PolarHBondContact O-N 2.85Å; E614-W616 WeakPolarHBondContact OE2-CZ2 3.17Å; E614-W616 PolarHBondContact OE2-NE1 3.25Å
615	A	95.2	Very high	88.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.9	170.7	0	0	0	0	0	109.6	V481 Y482 M494 M498 L509 L510	V481-A615 WeakPolarHBondContact CB-O 3.24Å; V481-A615 PolarHBondContact N-O 2.86Å; Y482-A615 PolarHBondContact N-O 2.81Å; Y482-A615 VanDerWaalsContact N-O 3.09Å; Y482-A615 PolarHBondContact O-N 3.28Å; M494-A615 HydrophobicContact CG-CB 4.4Å; M494-A615 HydrophobicContact SD-CB 3.99Å; M498-A615 HydrophobicContact CE-CB 3.29Å; L509-A615 CarbonylContact O-C 3.57Å; L509-A615 WeakPolarHBondContact O-CA 3.45Å; L510-A615 HydrophobicContact CD1-CB 4.33Å
616	W	93.6	Very high	88.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.3	-174.6	-61.6	86.9	0	0	0	110.2	G450 E453 S454 W478 V479 L480 S508 L509 E614	G450-W616 VanDerWaalsContact O-CZ3 3.32Å; G450-W616 WeakPolarHBondContact O-CZ3 3.22Å; E453-W616 HydrophobicContact CB-CH2 3.94Å; E453-W616 HydrophobicContact CB-CZ3 4.47Å; S454-W616 VanDerWaalsContact CB-CZ2 3.4Å; W478-W616 HydrophobicContact CB-CE3 3.88Å; W478-W616 HydrophobicContact CB-CZ3 4.14Å; W478-W616 HydrophobicContact CE3-CB 4.45Å; W478-W616 HydrophobicContact CE3-CD2 4Å; W478-W616 HydrophobicContact CE3-CE3 4.09Å; W478-W616 HydrophobicContact CE3-CG 4.17Å; V479-W616 WeakPolarHBondContact O-CA 3.49Å; L480-W616 HydrophobicContact CB-CD2 4.42Å; L480-W616 HydrophobicContact CB-CE3 3.87Å; L480-W616 HydrophobicContact CB-CH2 3.71Å; L480-W616 HydrophobicContact CB-CZ2 4.26Å; L480-W616 HydrophobicContact CB-CZ3 3.5Å; L480-W616 HydrophobicContact CD1-CD2 3.99Å; L480-W616 HydrophobicContact CD1-CE3 4.3Å; L480-W616 HydrophobicContact CD1-CH2 3.98Å; L480-W616 HydrophobicContact CD1-CZ2 3.62Å; L480-W616 HydrophobicContact CD1-CZ3 4.32Å; L480-W616 HydrophobicContact CD2-CH2 4.24Å; L480-W616 HydrophobicContact CD2-CZ2 4.41Å; L480-W616 HydrophobicContact CG-CH2 4.18Å; L480-W616 HydrophobicContact CG-CZ2 4.3Å; L480-W616 HydrophobicContact CG-CZ3 4.4Å; S508-W616 CarbonylContact C-O 3.41Å; S508-W616 VanDerWaalsContact CA-O 3.29Å; S508-W616 WeakPolarHBondContact CA-O 3.42Å; L509-W616 HydrophobicContact CB-CB 4.13Å; L509-W616 HydrophobicContact CD2-CB 4.41Å; L509-W616 HydrophobicContact CD2-CG 4.48Å; L509-W616 PolarHBondContact N-O 3.13Å; L509-W616 PolarHBondContact O-N 2.85Å; E614-W616 WeakPolarHBondContact OE2-CZ2 3.17Å; E614-W616 PolarHBondContact OE2-NE1 3.25Å
617	C	90.8	Very high	88.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	159.5	170	-77.3	0	0	0	0	109.3	V479 V481 C504	V479-C617 PolarHBondContact N-O 2.99Å; V479-C617 PolarHBondContact O-N 3.37Å; V481-C617 HydrophobicContact CG2-CB 3.58Å; V481-C617 VanDerWaalsContact CG2-SG 3.58Å; C504-C617 HydrophobicContact CB-CB 4.31Å
618	F	86.8	Confident	88.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.5	178	-54.2	-82.7	0	0	0	108.6	L469 A473 Y476 W478 L505 P507 L509	L469-F618 HydrophobicContact CD1-CD1 4.46Å; L469-F618 HydrophobicContact CD1-CE1 3.54Å; L469-F618 HydrophobicContact CD1-CZ 3.6Å; L469-F618 HydrophobicContact CD2-CE1 4.16Å; L469-F618 HydrophobicContact CD2-CE2 3.66Å; L469-F618 HydrophobicContact CD2-CZ 3.38Å; L469-F618 HydrophobicContact CG-CZ 4.17Å; A473-F618 HydrophobicContact CB-CB 4.25Å; A473-F618 HydrophobicContact CB-CD1 4.19Å; A473-F618 HydrophobicContact CB-CD2 3.97Å; A473-F618 HydrophobicContact CB-CE2 4.48Å; A473-F618 HydrophobicContact CB-CG 3.85Å; Y476-F618 HydrophobicContact CD2-CB 4.27Å; W478-F618 AromaticContact CD1-CD1 3.97Å; W478-F618 AromaticContact CD1-CE1 3.7Å; W478-F618 AromaticContact CD2-CE1 3.78Å; W478-F618 HydrophobicContact CD2-CE1 3.78Å; W478-F618 HydrophobicContact CD2-CZ 4.46Å; W478-F618 AromaticContact CE2-CE1 3.6Å; W478-F618 HydrophobicContact CG-CD1 4.3Å; W478-F618 AromaticContact CG-CE1 3.86Å; W478-F618 HydrophobicContact CG-CE1 3.86Å; W478-F618 HydrophobicContact CZ2-CE1 4.18Å; W478-F618 AromaticContact NE1-CE1 3.54Å; L505-F618 VanDerWaalsContact O-O 3.07Å; P507-F618 HydrophobicContact CG-CD2 3.73Å; P507-F618 HydrophobicContact CG-CE2 3.91Å; P507-F618 VanDerWaalsContact O-CD2 3.24Å; P507-F618 WeakPolarHBondContact O-CD2 3.38Å; L509-F618 HydrophobicContact CB-CE2 4.24Å; L509-F618 HydrophobicContact CB-CZ 4.16Å
619	R	74.2	Confident	87.5	Confident	111 Å²	111	38.8 Å²	38.8	42%	0.419	18%	0.184	S	C	.	.			trans	-90.2	119.9	-179.8	-178.6	179.2	-67.9	169	-0.7	109.3	P477 V479 C504	P477-R619 HydrophobicContact CG-CB 4.19Å; P477-R619 PolarHBondContact O-N 2.79Å; V479-R619 HydrophobicContact CG2-CB 3.8Å; C504-R619 PolarHBondContact SG-NE 3.36Å
620	L	64.7	Low	86.7	Confident	72 Å²	72	36.8 Å²	36.8	38%	0.377	17%	0.172	S	C	.	.			trans	-71.2	122.4	160.1	-83	116.1	0	0	0	107.6	Y476 L505	Y476-L620 HydrophobicContact CD2-CG 4.2Å; Y476-L620 HydrophobicContact CE1-CD2 4.45Å; Y476-L620 HydrophobicContact CE1-CG 4.29Å; Y476-L620 HydrophobicContact CE2-CD1 4Å; Y476-L620 HydrophobicContact CE2-CD2 3.88Å; Y476-L620 HydrophobicContact CE2-CG 3.43Å; Y476-L620 VanDerWaalsContact CE2-CG 3.43Å; Y476-L620 WeakPolarHBondContact OH-CD2 3.48Å; L505-L620 HydrophobicContact CB-CD1 3.97Å; L505-L620 HydrophobicContact CD1-CD1 4.25Å
621	E	55.5	Low	85.9	Confident	239 Å²	239	39.8 Å²	39.8	100%	1.117	19%	0.186	S	C	*	.			trans	-73	0	165.5	-72.4	-173.4	162.9	0	0	112.3

Retrieved 621 of 621 residues in 516.8 ms (Link to these results)

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