A0A087YD03_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087YD03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 725 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	73.4	Confident	84.8	Confident	97 Å²	97	57.7 Å²	57.7	100%	1	44%	0.437	S	S	*	.				0	-156.8	0	0	0	0	0	0	109.5	L13	G1-L13 WeakPolarHBondContact O-CD1 3.39Å
2	T	89.6	Confident	84.8	Confident	81 Å²	81	57.7 Å²	57.7	50%	0.497	43%	0.426	S	S	.	.			trans	-138.2	159.6	171.6	45.9	0	0	0	0	109.5	G7 A8	T2-G7 WeakPolarHBondContact CB-O 3.41Å; T2-G7 WeakPolarHBondContact CG2-O 3.31Å; T2-A8 CarbonylContact C-O 3.59Å; T2-A8 WeakPolarHBondContact CA-O 3.2Å
3	C	90.9	Very high	85.3	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.014	40%	0.395	C	S	.	.			trans	-67.1	127.3	172.3	174.5	0	0	0	0	110.4	S5 G7 A8 L13 C26	C3-S5 PolarHBondContact O-N 2.93Å; C3-G7 VanDerWaalsContact O-CA 3.32Å; C3-G7 WeakPolarHBondContact O-CA 3.44Å; C3-G7 PolarHBondContact O-N 3.18Å; C3-A8 HydrophobicContact CB-CB 4.27Å; C3-A8 PolarHBondContact N-O 3.31Å; C3-L13 HydrophobicContact CB-CD2 3.95Å; C3-C26 HydrophobicContact CB-CB 3.85Å; C3-C26 PolarHBondContact SG-N 3.29Å
4	Q	91.9	Very high	85.8	Confident	112 Å²	112	52.5 Å²	52.5	52%	0.523	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.9	-177.1	-68.2	172.8	-0.6	0	0	113.3	S22 Y23 V24	Q4-S22 PolarHBondContact NE2-O 2.89Å; Q4-Y23 HydrophobicContact CB-CD2 4.43Å; Q4-Y23 HydrophobicContact CB-CE2 4.04Å; Q4-V24 HydrophobicContact CG-CB 4.34Å; Q4-V24 PolarHBondContact N-O 3.37Å
5	S	89.6	Confident	86.2	Confident	68 Å²	68	50 Å²	50	48%	0.476	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-22	-177.4	-63.1	0	0	0	0	115.1	C3 Y23 H33	C3-S5 PolarHBondContact O-N 2.93Å; S5-Y23 PolarHBondContact OG-OH 3.19Å; S5-H33 VanDerWaalsContact CB-CD2 3.45Å; S5-H33 WeakPolarHBondContact CB-CD2 3.34Å
6	C	89.9	Confident	86.4	Confident	63 Å²	63	47.7 Å²	47.7	43%	0.426	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	5.4	-178.5	67.1	0	0	0	0	115.5	A8	C6-A8 PolarHBondContact O-N 3.44Å
7	G	88.3	Confident	86.4	Confident	49 Å²	49	49.6 Å²	49.6	51%	0.505	35%	0.348	S	S	.	.			trans	70.8	-6.4	178.5	0	0	0	0	0	115.7	T2 C3 G9	T2-G7 WeakPolarHBondContact CB-O 3.41Å; T2-G7 WeakPolarHBondContact CG2-O 3.31Å; C3-G7 VanDerWaalsContact O-CA 3.32Å; C3-G7 WeakPolarHBondContact O-CA 3.44Å; C3-G7 PolarHBondContact O-N 3.18Å; G7-G9 PolarHBondContact O-N 2.82Å
8	A	87.6	Confident	86.3	Confident	17 Å²	17	50.1 Å²	50.1	14%	0.14	34%	0.344	C	S	.	.			trans	-53.5	129.4	-179.6	0	0	0	0	0	111.9	T2 C3 C6 C26 Y30	T2-A8 CarbonylContact C-O 3.59Å; T2-A8 WeakPolarHBondContact CA-O 3.2Å; C3-A8 HydrophobicContact CB-CB 4.27Å; C3-A8 PolarHBondContact N-O 3.31Å; C6-A8 PolarHBondContact O-N 3.44Å; A8-C26 HydrophobicContact CB-CB 4.43Å; A8-Y30 HydrophobicContact CB-CD1 3.77Å; A8-Y30 HydrophobicContact CB-CD2 4.28Å; A8-Y30 HydrophobicContact CB-CE1 4.02Å; A8-Y30 HydrophobicContact CB-CG 3.91Å
9	G	79.4	Confident	85.7	Confident	40 Å²	40	53.8 Å²	53.8	41%	0.412	37%	0.37	S	S	.	.			trans	-114.2	145	174.4	0	0	0	0	0	110.8	G7 Y30	G7-G9 PolarHBondContact O-N 2.82Å; G9-Y30 PolarHBondContact O-OH 2.95Å; G9-Y30 VanDerWaalsContact O-OH 3.14Å
10	G	77.2	Confident	85.5	Confident	33 Å²	33	55.8 Å²	55.8	34%	0.34	38%	0.376	S	S	.	.	S	Bend	trans	161.5	-175.6	-177.7	0	0	0	0	0	111.3
11	P	75.1	Confident	85.5	Confident	73 Å²	73	54.1 Å²	54.1	47%	0.474	37%	0.365	S	S	.	.	S	Bend	trans	-72.4	-28.9	-179.3	28.5	-34.7	0	0	0	113.3	L13 T53	P11-L13 PolarHBondContact O-N 3.2Å; P11-T53 WeakPolarHBondContact CA-OG1 3.28Å; P11-T53 HydrophobicContact CB-CG2 3.94Å; P11-T53 WeakPolarHBondContact O-CB 3.43Å; P11-T53 PolarHBondContact O-OG1 2.95Å
12	N	85	Confident	86.1	Confident	57 Å²	57	54.8 Å²	54.8	31%	0.305	35%	0.354	S	S	.	.			trans	-87.8	54.4	-173.6	-66.8	-11.3	0	0	0	112.5	G27 S29	N12-G27 PolarHBondContact O-N 3.26Å; N12-S29 PolarHBondContact ND2-OG 2.92Å
13	L	90.7	Very high	86.2	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.9	170.9	-67.4	174.7	0	0	0	110	G1 C3 P11 V24 G25 C26 N51 L52	G1-L13 WeakPolarHBondContact O-CD1 3.39Å; C3-L13 HydrophobicContact CB-CD2 3.95Å; P11-L13 PolarHBondContact O-N 3.2Å; L13-V24 HydrophobicContact CB-CG1 4.21Å; L13-G25 WeakPolarHBondContact CA-O 3.37Å; L13-C26 HydrophobicContact CD2-CB 4.34Å; L13-N51 CarbonylContact O-C 3.55Å; L13-N51 WeakPolarHBondContact O-CA 3.13Å; L13-L52 HydrophobicContact CB-CD1 4.23Å; L13-L52 PolarHBondContact O-N 2.81Å
14	W	91.9	Very high	86.2	Confident	39 Å²	39	53.4 Å²	53.4	15%	0.148	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.2	-172.3	-64.2	88.2	0	0	0	109.4	V24 G25 T49 V50 N51 R56 W58	W14-V24 WeakPolarHBondContact O-CA 3.39Å; W14-G25 PolarHBondContact N-O 3.17Å; W14-G25 PolarHBondContact O-N 2.85Å; W14-T49 HydrophobicContact CB-CG2 4.43Å; W14-V50 CarbonylContact C-O 3.57Å; W14-V50 VanDerWaalsContact CA-O 3.31Å; W14-V50 WeakPolarHBondContact CA-O 3.17Å; W14-N51 HydrophobicContact CD2-CB 3.99Å; W14-N51 HydrophobicContact CE3-CB 3.78Å; W14-N51 HydrophobicContact CH2-CB 3.86Å; W14-N51 HydrophobicContact CZ2-CB 4.07Å; W14-N51 HydrophobicContact CZ3-CB 3.71Å; W14-R56 WeakPolarHBondContact CZ3-O 3.43Å; W14-W58 HydrophobicContact CE3-CB 4.42Å; W14-W58 HydrophobicContact CH2-CB 4.31Å; W14-W58 HydrophobicContact CZ3-CB 3.77Å
15	A	91.8	Very high	86.2	Confident	15 Å²	15	48.1 Å²	48.1	12%	0.124	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.2	175.3	0	0	0	0	0	110.5	Y23 V24 T49 V50 L52	A15-Y23 CarbonylContact C-O 3.57Å; A15-Y23 WeakPolarHBondContact CA-O 3.34Å; A15-V24 HydrophobicContact CB-CG2 4.03Å; A15-T49 CarbonylContact O-C 3.53Å; A15-T49 WeakPolarHBondContact O-CA 3.47Å; A15-T49 WeakPolarHBondContact O-CB 3.09Å; A15-V50 HydrophobicContact CB-CG1 4.2Å; A15-V50 PolarHBondContact N-O 2.82Å; A15-V50 PolarHBondContact O-N 3.2Å; A15-L52 HydrophobicContact CB-CD1 4.25Å; A15-L52 HydrophobicContact CB-CD2 3.75Å; A15-L52 HydrophobicContact CB-CG 4.07Å
16	C	89.8	Confident	86.3	Confident	13 Å²	13	44.9 Å²	44.9	9%	0.088	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.2	172.1	-163.7	0	0	0	0	110.6	C21 Y23 L48	C16-C21 HydrophobicContact CB-CB 4.19Å; C16-Y23 PolarHBondContact N-O 3.28Å; C16-L48 PolarHBondContact SG-O 2.97Å
17	L	86.8	Confident	86.2	Confident	80 Å²	80	42 Å²	42	42%	0.419	28%	0.276	S	S	.	.			trans	-96.7	-2	175.8	-70.3	179	0	0	0	113.5	S19 L48 V50 I57	L17-S19 PolarHBondContact O-N 3.04Å; L17-L48 HydrophobicContact CB-CB 4.03Å; L17-L48 HydrophobicContact CD1-CB 4.32Å; L17-L48 PolarHBondContact N-O 2.85Å; L17-V50 HydrophobicContact CD1-CB 4.18Å; L17-V50 HydrophobicContact CD2-CB 3.97Å; L17-V50 HydrophobicContact CD2-CG1 3.61Å; L17-V50 HydrophobicContact CG-CB 4.15Å; L17-V50 HydrophobicContact CG-CG1 4.16Å; L17-I57 HydrophobicContact CD1-CD1 3.89Å; L17-I57 HydrophobicContact CD1-CG1 4.09Å; L17-I57 HydrophobicContact CD1-CG2 3.81Å
18	Q	85.1	Confident	86	Confident	59 Å²	59	47.6 Å²	47.6	28%	0.276	29%	0.289	S	S	.	.	S	Bend	trans	-66.1	131.7	176.3	174.6	57	23.3	0	0	110.4	D20 C21	Q18-D20 VanDerWaalsContact C-N 3.29Å; Q18-D20 VanDerWaalsContact CG-OD1 3.3Å; Q18-D20 WeakPolarHBondContact CG-OD1 3.21Å; Q18-D20 PolarHBondContact NE2-OD1 3.35Å; Q18-D20 PolarHBondContact O-N 2.84Å; Q18-D20 VanDerWaalsContact O-N 3.17Å; Q18-C21 HydrophobicContact CB-CB 4.03Å; Q18-C21 HydrophobicContact CG-CB 4.27Å; Q18-C21 PolarHBondContact O-N 3.22Å
19	S	74.7	Confident	85.8	Confident	121 Å²	121	50.3 Å²	50.3	85%	0.846	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-25	-167.3	53.5	0	0	0	0	115.5	L17	L17-S19 PolarHBondContact O-N 3.04Å
20	D	81	Confident	86	Confident	92 Å²	92	54.3 Å²	54.3	49%	0.492	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.4	172.4	67.8	-56.9	0	0	0	114.1	Q18 K44	Q18-D20 VanDerWaalsContact C-N 3.29Å; Q18-D20 VanDerWaalsContact CG-OD1 3.3Å; Q18-D20 WeakPolarHBondContact CG-OD1 3.21Å; Q18-D20 PolarHBondContact NE2-OD1 3.35Å; Q18-D20 PolarHBondContact O-N 2.84Å; Q18-D20 VanDerWaalsContact O-N 3.17Å; D20-K44 IonicContact OD2-NZ 3.72Å; D20-K44 PolarHBondContact OD2-NZ 3.46Å
21	C	85.2	Confident	86.5	Confident	22 Å²	22	55.3 Å²	55.3	15%	0.149	32%	0.316	C	S	.	.			trans	-129.1	108.6	-173.2	-163.1	0	0	0	0	115.3	C16 Q18 Y23 H37 H46	C16-C21 HydrophobicContact CB-CB 4.19Å; Q18-C21 HydrophobicContact CB-CB 4.03Å; Q18-C21 HydrophobicContact CG-CB 4.27Å; Q18-C21 PolarHBondContact O-N 3.22Å; C21-Y23 VanDerWaalsContact C-N 3.32Å; C21-Y23 PolarHBondContact O-N 3.41Å; C21-Y23 VanDerWaalsContact SG-CB 3.53Å; C21-H37 PolarHBondContact SG-CE1 2.78Å; C21-H37 PolarHBondContact SG-NE2 2.96Å; C21-H37 VanDerWaalsContact SG-NE2 3.44Å; C21-H46 PolarHBondContact SG-CE1 2.68Å
22	S	86.6	Confident	87.1	Confident	110 Å²	110	53.3 Å²	53.3	77%	0.769	30%	0.301	S	S	*	.			trans	-91.1	25.2	173.4	56.8	0	0	0	0	114.4	Q4	Q4-S22 PolarHBondContact NE2-O 2.89Å
23	Y	90.8	Very high	87.4	Confident	32 Å²	32	52.5 Å²	52.5	13%	0.125	30%	0.296	C	S	.	.			trans	-74.9	141.3	-175.6	-177	-97.4	0	0	0	112.9	Q4 S5 A15 C16 C21 H33 H37	Q4-Y23 HydrophobicContact CB-CD2 4.43Å; Q4-Y23 HydrophobicContact CB-CE2 4.04Å; S5-Y23 PolarHBondContact OG-OH 3.19Å; A15-Y23 CarbonylContact C-O 3.57Å; A15-Y23 WeakPolarHBondContact CA-O 3.34Å; C16-Y23 PolarHBondContact N-O 3.28Å; C21-Y23 VanDerWaalsContact C-N 3.32Å; C21-Y23 PolarHBondContact O-N 3.41Å; C21-Y23 VanDerWaalsContact SG-CB 3.53Å; Y23-H33 WeakPolarHBondContact OH-CB 3.24Å; Y23-H37 WeakPolarHBondContact CB-CE1 3.45Å; Y23-H37 HydrophobicContact CD1-CB 3.74Å; Y23-H37 AromaticContact CD1-CD2 3.84Å; Y23-H37 AromaticContact CD1-CE1 3.64Å; Y23-H37 AromaticContact CD1-CG 3.34Å; Y23-H37 AromaticContact CD1-ND1 3.21Å; Y23-H37 WeakPolarHBondContact CD1-ND1 3.39Å; Y23-H37 AromaticContact CD2-ND1 3.77Å; Y23-H37 HydrophobicContact CE1-CB 3.53Å; Y23-H37 AromaticContact CE1-CG 3.68Å; Y23-H37 AromaticContact CE1-ND1 3.71Å; Y23-H37 AromaticContact CG-CE1 3.39Å; Y23-H37 AromaticContact CG-CG 3.9Å; Y23-H37 AromaticContact CG-ND1 3.26Å; Y23-H37 VanDerWaalsContact CG-ND1 3.26Å
24	V	92.2	Very high	87.3	Confident	23 Å²	23	52.4 Å²	52.4	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	113	174.9	-175.4	0	0	0	0	110.7	Q4 L13 W14 A15 L52	Q4-V24 HydrophobicContact CG-CB 4.34Å; Q4-V24 PolarHBondContact N-O 3.37Å; L13-V24 HydrophobicContact CB-CG1 4.21Å; W14-V24 WeakPolarHBondContact O-CA 3.39Å; A15-V24 HydrophobicContact CB-CG2 4.03Å; V24-L52 HydrophobicContact CG1-CD1 3.71Å; V24-L52 HydrophobicContact CG2-CD1 4.31Å
25	G	92	Very high	87.1	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	162.9	176.1	0	0	0	0	0	113	L13 W14	L13-G25 WeakPolarHBondContact CA-O 3.37Å; W14-G25 PolarHBondContact N-O 3.17Å; W14-G25 PolarHBondContact O-N 2.85Å
26	C	91.9	Very high	86.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	147.5	160.5	59.9	0	0	0	0	109.9	C3 A8 L13 Y30 D32 H33 S34	C3-C26 HydrophobicContact CB-CB 3.85Å; C3-C26 PolarHBondContact SG-N 3.29Å; A8-C26 HydrophobicContact CB-CB 4.43Å; L13-C26 HydrophobicContact CD2-CB 4.34Å; C26-Y30 HydrophobicContact CB-CD2 4.01Å; C26-Y30 HydrophobicContact CB-CG 4.29Å; C26-D32 CarbonylContact O-C 3.5Å; C26-D32 VanDerWaalsContact O-C 3.3Å; C26-D32 WeakPolarHBondContact O-CA 3.33Å; C26-H33 PolarHBondContact O-N 3.48Å; C26-H33 PolarHBondContact SG-ND1 2.81Å; C26-S34 PolarHBondContact O-N 2.93Å; C26-S34 PolarHBondContact O-OG 3.2Å; C26-S34 VanDerWaalsContact O-OG 3.06Å
27	G	86.4	Confident	86.7	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.021	31%	0.311	C	S	.	.			trans	-80.9	-168.3	171.7	0	0	0	0	0	114.5	N12 S29 Y30 D32 S34	N12-G27 PolarHBondContact O-N 3.26Å; G27-S29 PolarHBondContact O-N 2.84Å; G27-Y30 PolarHBondContact O-N 3.18Å; G27-Y30 VanDerWaalsContact O-N 3.09Å; G27-D32 WeakPolarHBondContact CA-OD1 3.29Å; G27-D32 PolarHBondContact O-N 3.44Å; G27-S34 WeakPolarHBondContact CA-OG 3.34Å
28	E	84.4	Confident	86.6	Confident	168 Å²	168	51.8 Å²	51.8	79%	0.785	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-29.6	-179.7	-62.4	-179.1	167.5	0	0	115.6	Y30	E28-Y30 PolarHBondContact O-N 3.21Å
29	S	82.8	Confident	86.3	Confident	74 Å²	74	54.6 Å²	54.6	52%	0.517	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-4	178.7	-44.1	0	0	0	0	114.7	N12 G27	N12-S29 PolarHBondContact ND2-OG 2.92Å; G27-S29 PolarHBondContact O-N 2.84Å
30	Y	84.4	Confident	86.2	Confident	123 Å²	123	54.6 Å²	54.6	48%	0.482	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-92.6	176.2	-65.6	-84.2	0	0	0	111.3	A8 G9 C26 G27 E28	A8-Y30 HydrophobicContact CB-CD1 3.77Å; A8-Y30 HydrophobicContact CB-CD2 4.28Å; A8-Y30 HydrophobicContact CB-CE1 4.02Å; A8-Y30 HydrophobicContact CB-CG 3.91Å; G9-Y30 PolarHBondContact O-OH 2.95Å; G9-Y30 VanDerWaalsContact O-OH 3.14Å; C26-Y30 HydrophobicContact CB-CD2 4.01Å; C26-Y30 HydrophobicContact CB-CG 4.29Å; G27-Y30 PolarHBondContact O-N 3.18Å; G27-Y30 VanDerWaalsContact O-N 3.09Å; E28-Y30 PolarHBondContact O-N 3.21Å
31	A	87.1	Confident	85.6	Confident	55 Å²	55	52.8 Å²	52.8	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.1	18.6	-176.4	0	0	0	0	0	112.4	H33	A31-H33 VanDerWaalsContact C-N 3.26Å; A31-H33 PolarHBondContact O-N 2.8Å
32	D	89.3	Confident	84.2	Confident	31 Å²	31	57.5 Å²	57.5	17%	0.166	31%	0.31	C	S	.	.			trans	39.9	43.9	176.9	-155.4	10.4	0	0	0	117.4	C26 G27 S34 T35 L36	C26-D32 CarbonylContact O-C 3.5Å; C26-D32 VanDerWaalsContact O-C 3.3Å; C26-D32 WeakPolarHBondContact O-CA 3.33Å; G27-D32 WeakPolarHBondContact CA-OD1 3.29Å; G27-D32 PolarHBondContact O-N 3.44Å; D32-S34 PolarHBondContact O-N 2.84Å; D32-S34 VanDerWaalsContact O-N 3.1Å; D32-S34 PolarHBondContact OD1-OG 2.83Å; D32-T35 VanDerWaalsContact CG-CB 3.44Å; D32-T35 PolarHBondContact O-N 3.39Å; D32-T35 VanDerWaalsContact O-N 3.08Å; D32-T35 PolarHBondContact OD1-N 3.36Å; D32-T35 PolarHBondContact OD1-OG1 2.83Å; D32-T35 VanDerWaalsContact OD1-OG1 3.04Å; D32-T35 WeakPolarHBondContact OD2-CB 3.16Å; D32-T35 PolarHBondContact OD2-OG1 2.78Å; D32-L36 PolarHBondContact O-N 3.36Å
33	H	90.8	Very high	82.8	Confident	40 Å²	40	57.3 Å²	57.3	19%	0.185	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-20.7	175.5	-69.5	106.9	0	0	0	113.5	S5 Y23 C26 A31 H37	S5-H33 VanDerWaalsContact CB-CD2 3.45Å; S5-H33 WeakPolarHBondContact CB-CD2 3.34Å; Y23-H33 WeakPolarHBondContact OH-CB 3.24Å; C26-H33 PolarHBondContact O-N 3.48Å; C26-H33 PolarHBondContact SG-ND1 2.81Å; A31-H33 VanDerWaalsContact C-N 3.26Å; A31-H33 PolarHBondContact O-N 2.8Å; H33-H37 VanDerWaalsContact O-CB 3.24Å; H33-H37 WeakPolarHBondContact O-CB 3.36Å; H33-H37 PolarHBondContact O-N 3.48Å
34	S	88.2	Confident	81.4	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-66.6	-46	171.5	39.3	0	0	0	0	113.2	C26 G27 D32 H37 A38 Y60	C26-S34 PolarHBondContact O-N 2.93Å; C26-S34 PolarHBondContact O-OG 3.2Å; C26-S34 VanDerWaalsContact O-OG 3.06Å; G27-S34 WeakPolarHBondContact CA-OG 3.34Å; D32-S34 PolarHBondContact O-N 2.84Å; D32-S34 VanDerWaalsContact O-N 3.1Å; D32-S34 PolarHBondContact OD1-OG 2.83Å; S34-H37 PolarHBondContact O-N 2.8Å; S34-A38 PolarHBondContact O-N 3.14Å; S34-Y60 WeakPolarHBondContact CB-OH 3.34Å
35	T	87.3	Confident	80.4	Confident	30 Å²	30	67.6 Å²	67.6	18%	0.184	36%	0.359	C	S	.	.	H	α-helix	trans	-69.2	-41.6	174.6	-59	0	0	0	0	111.4	D32 H37 A38 Q39 Y60	D32-T35 VanDerWaalsContact CG-CB 3.44Å; D32-T35 PolarHBondContact O-N 3.39Å; D32-T35 VanDerWaalsContact O-N 3.08Å; D32-T35 PolarHBondContact OD1-N 3.36Å; D32-T35 PolarHBondContact OD1-OG1 2.83Å; D32-T35 VanDerWaalsContact OD1-OG1 3.04Å; D32-T35 WeakPolarHBondContact OD2-CB 3.16Å; D32-T35 PolarHBondContact OD2-OG1 2.78Å; T35-H37 VanDerWaalsContact C-N 3.28Å; T35-H37 PolarHBondContact O-N 2.81Å; T35-A38 PolarHBondContact O-N 3.13Å; T35-Q39 HydrophobicContact CG2-CG 4.36Å; T35-Q39 WeakPolarHBondContact O-CG 3.47Å; T35-Q39 PolarHBondContact O-N 3.36Å; T35-Y60 HydrophobicContact CG2-CD1 4.27Å; T35-Y60 HydrophobicContact CG2-CE1 4.14Å; T35-Y60 WeakPolarHBondContact OG1-CE1 3.5Å
36	L	86.8	Confident	80.1	Confident	81 Å²	81	67.8 Å²	67.8	42%	0.424	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-38.4	175.8	-66.2	173.5	0	0	0	111.9	D32 Q39 V40	D32-L36 PolarHBondContact O-N 3.36Å; L36-Q39 PolarHBondContact O-N 3.42Å; L36-V40 VanDerWaalsContact O-CB 3.27Å; L36-V40 WeakPolarHBondContact O-CB 3.36Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.26Å
37	H	87.6	Confident	79.8	Confident	18 Å²	18	68.5 Å²	68.5	8%	0.083	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-48.3	174.8	177	90.7	0	0	0	112.2	C21 Y23 H33 S34 T35 Q39 V40 I41 H46	C21-H37 PolarHBondContact SG-CE1 2.78Å; C21-H37 PolarHBondContact SG-NE2 2.96Å; C21-H37 VanDerWaalsContact SG-NE2 3.44Å; Y23-H37 WeakPolarHBondContact CB-CE1 3.45Å; Y23-H37 HydrophobicContact CD1-CB 3.74Å; Y23-H37 AromaticContact CD1-CD2 3.84Å; Y23-H37 AromaticContact CD1-CE1 3.64Å; Y23-H37 AromaticContact CD1-CG 3.34Å; Y23-H37 AromaticContact CD1-ND1 3.21Å; Y23-H37 WeakPolarHBondContact CD1-ND1 3.39Å; Y23-H37 AromaticContact CD2-ND1 3.77Å; Y23-H37 HydrophobicContact CE1-CB 3.53Å; Y23-H37 AromaticContact CE1-CG 3.68Å; Y23-H37 AromaticContact CE1-ND1 3.71Å; Y23-H37 AromaticContact CG-CE1 3.39Å; Y23-H37 AromaticContact CG-CG 3.9Å; Y23-H37 AromaticContact CG-ND1 3.26Å; Y23-H37 VanDerWaalsContact CG-ND1 3.26Å; H33-H37 VanDerWaalsContact O-CB 3.24Å; H33-H37 WeakPolarHBondContact O-CB 3.36Å; H33-H37 PolarHBondContact O-N 3.48Å; S34-H37 PolarHBondContact O-N 2.8Å; T35-H37 VanDerWaalsContact C-N 3.28Å; T35-H37 PolarHBondContact O-N 2.81Å; H37-Q39 VanDerWaalsContact C-N 3.33Å; H37-Q39 PolarHBondContact O-N 3.47Å; H37-V40 PolarHBondContact O-N 2.68Å; H37-I41 VanDerWaalsContact CE1-CD1 3.41Å; H37-I41 WeakPolarHBondContact CE1-CD1 3.28Å; H37-I41 WeakPolarHBondContact O-CG1 3.21Å; H37-I41 PolarHBondContact O-N 3.33Å; H37-H46 AromaticContact CD2-ND1 3.89Å; H37-H46 AromaticContact CE1-ND1 3.61Å; H37-H46 AromaticContact NE2-CE1 3.88Å; H37-H46 AromaticContact NE2-CG 3.88Å; H37-H46 AromaticContact NE2-ND1 2.93Å; H37-H46 PolarHBondContact NE2-ND1 2.92Å
38	A	84.1	Confident	79.9	Confident	5 Å²	5	69 Å²	69	4%	0.041	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-37.6	178.5	0	0	0	0	0	112.8	S34 T35 Q42 H46 Y60	S34-A38 PolarHBondContact O-N 3.14Å; T35-A38 PolarHBondContact O-N 3.13Å; A38-Q42 WeakPolarHBondContact O-CA 3.29Å; A38-Q42 PolarHBondContact O-N 3Å; A38-H46 WeakPolarHBondContact CB-O 3.39Å; A38-Y60 HydrophobicContact CB-CD1 4.26Å; A38-Y60 HydrophobicContact CB-CD2 3.26Å; A38-Y60 HydrophobicContact CB-CE2 3.74Å; A38-Y60 HydrophobicContact CB-CG 3.56Å
39	Q	79	Confident	80.1	Confident	117 Å²	117	61.1 Å²	61.1	55%	0.547	33%	0.329	S	S	.	.	H	α-helix	trans	-73.2	-43.3	177.4	-69.8	177.1	-0.9	0	0	112.8	T35 L36 H37 Q42	T35-Q39 HydrophobicContact CG2-CG 4.36Å; T35-Q39 WeakPolarHBondContact O-CG 3.47Å; T35-Q39 PolarHBondContact O-N 3.36Å; L36-Q39 PolarHBondContact O-N 3.42Å; H37-Q39 VanDerWaalsContact C-N 3.33Å; H37-Q39 PolarHBondContact O-N 3.47Å; Q39-Q42 WeakPolarHBondContact O-CB 3.33Å
40	V	73	Confident	80.4	Confident	121 Å²	121	58.6 Å²	58.6	73%	0.733	31%	0.311	S	S	*	.	H	α-helix	trans	-73.3	-34.2	-178	171.9	0	0	0	0	111.9	L36 H37	L36-V40 VanDerWaalsContact O-CB 3.27Å; L36-V40 WeakPolarHBondContact O-CB 3.36Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.26Å; H37-V40 PolarHBondContact O-N 2.68Å
41	I	66.8	Low	80.7	Confident	54 Å²	54	52.9 Å²	52.9	28%	0.277	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	28	177.9	-32.4	-173.5	0	0	0	112	H37 A43 K44	H37-I41 VanDerWaalsContact CE1-CD1 3.41Å; H37-I41 WeakPolarHBondContact CE1-CD1 3.28Å; H37-I41 WeakPolarHBondContact O-CG1 3.21Å; H37-I41 PolarHBondContact O-N 3.33Å; I41-A43 PolarHBondContact O-N 2.98Å; I41-A43 VanDerWaalsContact O-N 3.11Å; I41-K44 HydrophobicContact CG2-CB 3.87Å; I41-K44 HydrophobicContact CG2-CD 3.91Å; I41-K44 HydrophobicContact CG2-CG 3.97Å; I41-K44 PolarHBondContact O-N 3.1Å
42	Q	57.6	Low	80.6	Confident	122 Å²	122	53.9 Å²	53.9	57%	0.57	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-59.8	-24.9	178	-159.3	167.8	38.9	0	0	112.5	A38 Q39 K44 K45	A38-Q42 WeakPolarHBondContact O-CA 3.29Å; A38-Q42 PolarHBondContact O-N 3Å; Q39-Q42 WeakPolarHBondContact O-CB 3.33Å; Q42-K44 PolarHBondContact O-N 3.09Å; Q42-K45 PolarHBondContact O-N 3.18Å; Q42-K45 VanDerWaalsContact O-N 3.16Å
43	A	56.1	Low	80.3	Confident	106 Å²	106	56.2 Å²	56.2	88%	0.876	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-62.5	-19.9	172.2	0	0	0	0	0	114.7	I41	I41-A43 PolarHBondContact O-N 2.98Å; I41-A43 VanDerWaalsContact O-N 3.11Å
44	K	61.8	Low	80	Confident	116 Å²	116	57.7 Å²	57.7	50%	0.504	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-105.1	5.8	174.8	-73.6	-170.6	155.7	-152.6	0	114.1	D20 I41 Q42 H46	D20-K44 IonicContact OD2-NZ 3.72Å; D20-K44 PolarHBondContact OD2-NZ 3.46Å; I41-K44 HydrophobicContact CG2-CB 3.87Å; I41-K44 HydrophobicContact CG2-CD 3.91Å; I41-K44 HydrophobicContact CG2-CG 3.97Å; I41-K44 PolarHBondContact O-N 3.1Å; Q42-K44 PolarHBondContact O-N 3.09Å; K44-H46 WeakPolarHBondContact CB-CD2 3.4Å; K44-H46 WeakPolarHBondContact CB-NE2 3.3Å
45	K	71.3	Confident	79.6	Confident	154 Å²	154	64.8 Å²	64.8	67%	0.67	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	37.9	-176.6	-47.2	175.3	-178.6	175.9	0	114.6	Q42 N47	Q42-K45 PolarHBondContact O-N 3.18Å; Q42-K45 VanDerWaalsContact O-N 3.16Å; K45-N47 VanDerWaalsContact C-OD1 3.22Å; K45-N47 WeakPolarHBondContact CA-OD1 3.39Å; K45-N47 PolarHBondContact O-N 2.76Å; K45-N47 PolarHBondContact O-OD1 3.35Å
46	H	85.3	Confident	79.5	Confident	5 Å²	5	69.2 Å²	69.2	2%	0.023	36%	0.357	C	S	.	.			trans	-71.8	61.6	174.7	-71.7	-148.4	0	0	0	111.4	C21 H37 A38 K44	C21-H46 PolarHBondContact SG-CE1 2.68Å; H37-H46 AromaticContact CD2-ND1 3.89Å; H37-H46 AromaticContact CE1-ND1 3.61Å; H37-H46 AromaticContact NE2-CE1 3.88Å; H37-H46 AromaticContact NE2-CG 3.88Å; H37-H46 AromaticContact NE2-ND1 2.93Å; H37-H46 PolarHBondContact NE2-ND1 2.92Å; A38-H46 WeakPolarHBondContact CB-O 3.39Å; K44-H46 WeakPolarHBondContact CB-CD2 3.4Å; K44-H46 WeakPolarHBondContact CB-NE2 3.3Å
47	N	86.1	Confident	79.5	Confident	14 Å²	14	66.2 Å²	66.2	8%	0.075	34%	0.341	C	S	.	.			trans	-87.8	-11.6	-162.1	-63.6	-12.4	0	0	0	113.7	K45 C59 Y60 V61 H724	K45-N47 VanDerWaalsContact C-OD1 3.22Å; K45-N47 WeakPolarHBondContact CA-OD1 3.39Å; K45-N47 PolarHBondContact O-N 2.76Å; K45-N47 PolarHBondContact O-OD1 3.35Å; N47-C59 CarbonylContact O-C 3.5Å; N47-C59 WeakPolarHBondContact O-CA 3.32Å; N47-Y60 PolarHBondContact O-N 2.79Å; N47-V61 HydrophobicContact CB-CG2 3.94Å; N47-V61 VanDerWaalsContact CG-CG2 3.42Å; N47-H724 HydrophobicContact CB-CB 4.04Å; N47-H724 PolarHBondContact ND2-CD2 2.75Å
48	L	87.4	Confident	79.4	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.063	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.2	-166.8	-70.3	161.7	0	0	0	112	C16 L17 I57 W58 C59 V66 H724 G725	C16-L48 PolarHBondContact SG-O 2.97Å; L17-L48 HydrophobicContact CB-CB 4.03Å; L17-L48 HydrophobicContact CD1-CB 4.32Å; L17-L48 PolarHBondContact N-O 2.85Å; L48-I57 HydrophobicContact CD2-CG2 4.14Å; L48-W58 WeakPolarHBondContact CA-O 3.43Å; L48-C59 HydrophobicContact CD2-CB 3.76Å; L48-V66 HydrophobicContact CD2-CG2 4.44Å; L48-H724 WeakPolarHBondContact CD1-O 3.41Å; L48-G725 VanDerWaalsContact CD1-C 3.4Å; L48-G725 WeakPolarHBondContact CD1-O 3.46Å
49	T	89.7	Confident	79.6	Confident	3 Å²	3	69 Å²	69	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.5	170.2	50.7	0	0	0	0	112	W14 A15 I57 W58 Y60	W14-T49 HydrophobicContact CB-CG2 4.43Å; A15-T49 CarbonylContact O-C 3.53Å; A15-T49 WeakPolarHBondContact O-CA 3.47Å; A15-T49 WeakPolarHBondContact O-CB 3.09Å; T49-I57 CarbonylContact O-C 3.6Å; T49-I57 VanDerWaalsContact O-CA 3.31Å; T49-I57 WeakPolarHBondContact O-CA 3.43Å; T49-W58 PolarHBondContact N-O 2.86Å; T49-W58 VanDerWaalsContact N-O 3.1Å; T49-W58 PolarHBondContact O-N 2.61Å; T49-Y60 HydrophobicContact CG2-CE2 3.74Å; T49-Y60 VanDerWaalsContact OG1-CE2 3.31Å; T49-Y60 WeakPolarHBondContact OG1-CE2 3.26Å; T49-Y60 PolarHBondContact OG1-OH 3.21Å
50	V	89.6	Confident	79.8	Confident	22 Å²	22	65.3 Å²	65.3	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.1	171.4	63.7	0	0	0	0	110.7	W14 A15 L17 L52 I57	W14-V50 CarbonylContact C-O 3.57Å; W14-V50 VanDerWaalsContact CA-O 3.31Å; W14-V50 WeakPolarHBondContact CA-O 3.17Å; A15-V50 HydrophobicContact CB-CG1 4.2Å; A15-V50 PolarHBondContact N-O 2.82Å; A15-V50 PolarHBondContact O-N 3.2Å; L17-V50 HydrophobicContact CD1-CB 4.18Å; L17-V50 HydrophobicContact CD2-CB 3.97Å; L17-V50 HydrophobicContact CD2-CG1 3.61Å; L17-V50 HydrophobicContact CG-CB 4.15Å; L17-V50 HydrophobicContact CG-CG1 4.16Å; V50-L52 PolarHBondContact O-N 3.15Å; V50-I57 HydrophobicContact CB-CG1 4.09Å; V50-I57 HydrophobicContact CG2-CG1 3.94Å
51	N	89.2	Confident	80.1	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.011	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.5	172.7	-176.4	-80.8	0	0	0	110.1	L13 W14 T53 T54 F55 R56	L13-N51 CarbonylContact O-C 3.55Å; L13-N51 WeakPolarHBondContact O-CA 3.13Å; W14-N51 HydrophobicContact CD2-CB 3.99Å; W14-N51 HydrophobicContact CE3-CB 3.78Å; W14-N51 HydrophobicContact CH2-CB 3.86Å; W14-N51 HydrophobicContact CZ2-CB 4.07Å; W14-N51 HydrophobicContact CZ3-CB 3.71Å; N51-T53 PolarHBondContact O-N 2.82Å; N51-T53 PolarHBondContact OD1-N 2.91Å; N51-T53 VanDerWaalsContact OD1-N 3.12Å; N51-T54 WeakPolarHBondContact CB-OG1 3.25Å; N51-T54 PolarHBondContact O-N 2.95Å; N51-T54 PolarHBondContact OD1-N 3.1Å; N51-T54 PolarHBondContact OD1-OG1 3.25Å; N51-F55 VanDerWaalsContact O-CA 3.29Å; N51-F55 WeakPolarHBondContact O-CA 3.25Å; N51-F55 PolarHBondContact O-N 3.01Å; N51-R56 HydrophobicContact CB-CB 4.39Å; N51-R56 WeakPolarHBondContact CB-O 3.3Å; N51-R56 PolarHBondContact N-O 2.64Å
52	L	86.1	Confident	80.5	Confident	77 Å²	77	62.5 Å²	62.5	40%	0.403	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3	-172.2	-68.4	178.2	0	0	0	115.3	L13 A15 V24 V50	L13-L52 HydrophobicContact CB-CD1 4.23Å; L13-L52 PolarHBondContact O-N 2.81Å; A15-L52 HydrophobicContact CB-CD1 4.25Å; A15-L52 HydrophobicContact CB-CD2 3.75Å; A15-L52 HydrophobicContact CB-CG 4.07Å; V24-L52 HydrophobicContact CG1-CD1 3.71Å; V24-L52 HydrophobicContact CG2-CD1 4.31Å; V50-L52 PolarHBondContact O-N 3.15Å
53	T	83.3	Confident	81.6	Confident	79 Å²	79	64.3 Å²	64.3	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-35.3	-179.9	-48.8	0	0	0	0	112.7	P11 N51	P11-T53 WeakPolarHBondContact CA-OG1 3.28Å; P11-T53 HydrophobicContact CB-CG2 3.94Å; P11-T53 WeakPolarHBondContact O-CB 3.43Å; P11-T53 PolarHBondContact O-OG1 2.95Å; N51-T53 PolarHBondContact O-N 2.82Å; N51-T53 PolarHBondContact OD1-N 2.91Å; N51-T53 VanDerWaalsContact OD1-N 3.12Å
54	T	82.8	Confident	82.7	Confident	72 Å²	72	67.9 Å²	67.9	44%	0.442	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-6.9	-175.3	59.1	0	0	0	0	113.5	N51 R56	N51-T54 WeakPolarHBondContact CB-OG1 3.25Å; N51-T54 PolarHBondContact O-N 2.95Å; N51-T54 PolarHBondContact OD1-N 3.1Å; N51-T54 PolarHBondContact OD1-OG1 3.25Å; T54-R56 PolarHBondContact O-N 3.45Å; T54-R56 WeakPolarHBondContact OG1-CD 3.27Å; T54-R56 WeakPolarHBondContact OG1-CG 3.35Å
55	F	81	Confident	83.4	Confident	151 Å²	151	64.3 Å²	64.3	66%	0.662	30%	0.303	S	S	*	.			trans	57.3	7	-175.5	-58.6	-78.9	0	0	0	115.8	N51 I57	N51-F55 VanDerWaalsContact O-CA 3.29Å; N51-F55 WeakPolarHBondContact O-CA 3.25Å; N51-F55 PolarHBondContact O-N 3.01Å; F55-I57 PolarHBondContact O-N 3.46Å
56	R	83.9	Confident	83.7	Confident	123 Å²	123	57.7 Å²	57.7	46%	0.464	28%	0.275	S	S	.	.			trans	-59.1	131.6	170.2	-61.8	172.5	71.5	-161.3	-0.2	109.8	W14 N51 T54 E65	W14-R56 WeakPolarHBondContact CZ3-O 3.43Å; N51-R56 HydrophobicContact CB-CB 4.39Å; N51-R56 WeakPolarHBondContact CB-O 3.3Å; N51-R56 PolarHBondContact N-O 2.64Å; T54-R56 PolarHBondContact O-N 3.45Å; T54-R56 WeakPolarHBondContact OG1-CD 3.27Å; T54-R56 WeakPolarHBondContact OG1-CG 3.35Å; R56-E65 WeakPolarHBondContact CB-OE1 3.45Å; R56-E65 VanDerWaalsContact CG-OE1 3.32Å; R56-E65 WeakPolarHBondContact CG-OE1 3.32Å; R56-E65 IonicContact CZ-OE1 2.63Å; R56-E65 IonicContact CZ-OE2 3.82Å; R56-E65 IonicContact NE-OE1 2.65Å; R56-E65 PolarHBondContact NE-OE1 3.1Å; R56-E65 IonicContact NE-OE2 3.96Å; R56-E65 IonicContact NH2-OE1 2.65Å; R56-E65 PolarHBondContact NH2-OE1 3.11Å; R56-E65 IonicContact NH2-OE2 2.66Å; R56-E65 PolarHBondContact NH2-OE2 3.16Å
57	I	87.2	Confident	82.7	Confident	17 Å²	17	63.4 Å²	63.4	9%	0.087	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.7	178.9	-63.2	175.5	0	0	0	109	L17 L48 T49 V50 F55 E65 V66 L68	L17-I57 HydrophobicContact CD1-CD1 3.89Å; L17-I57 HydrophobicContact CD1-CG1 4.09Å; L17-I57 HydrophobicContact CD1-CG2 3.81Å; L48-I57 HydrophobicContact CD2-CG2 4.14Å; T49-I57 CarbonylContact O-C 3.6Å; T49-I57 VanDerWaalsContact O-CA 3.31Å; T49-I57 WeakPolarHBondContact O-CA 3.43Å; V50-I57 HydrophobicContact CB-CG1 4.09Å; V50-I57 HydrophobicContact CG2-CG1 3.94Å; F55-I57 PolarHBondContact O-N 3.46Å; I57-E65 CarbonylContact O-C 3.52Å; I57-E65 WeakPolarHBondContact O-CA 3.24Å; I57-V66 HydrophobicContact CB-CB 3.96Å; I57-V66 HydrophobicContact CB-CG1 4.5Å; I57-V66 HydrophobicContact CG2-CB 3.85Å; I57-V66 HydrophobicContact CG2-CG1 4.38Å; I57-V66 HydrophobicContact CG2-CG2 4.24Å; I57-V66 PolarHBondContact O-N 3.5Å; I57-L68 HydrophobicContact CD1-CD1 3.55Å; I57-L68 HydrophobicContact CD1-CG 4.18Å
58	W	86.7	Confident	81.4	Confident	81 Å²	81	67.4 Å²	67.4	31%	0.307	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.5	178.1	-175.5	-93.5	0	0	0	111.4	W14 L48 T49 Y60 E63 R64 E65	W14-W58 HydrophobicContact CE3-CB 4.42Å; W14-W58 HydrophobicContact CH2-CB 4.31Å; W14-W58 HydrophobicContact CZ3-CB 3.77Å; L48-W58 WeakPolarHBondContact CA-O 3.43Å; T49-W58 PolarHBondContact N-O 2.86Å; T49-W58 VanDerWaalsContact N-O 3.1Å; T49-W58 PolarHBondContact O-N 2.61Å; W58-Y60 AromaticContact CD1-CD1 3.53Å; W58-Y60 AromaticContact CD1-CE1 3.38Å; W58-Y60 AromaticContact CD1-CG 3.9Å; W58-Y60 AromaticContact CD1-CZ 3.67Å; W58-Y60 AromaticContact NE1-CD1 3.49Å; W58-Y60 AromaticContact NE1-CE1 3.58Å; W58-E63 WeakPolarHBondContact CH2-O 3.41Å; W58-E63 VanDerWaalsContact CZ2-C 3.45Å; W58-R64 VanDerWaalsContact CE3-C 3.48Å; W58-E65 HydrophobicContact CE3-CB 4.03Å; W58-E65 HydrophobicContact CZ3-CB 4.18Å
59	C	87.1	Confident	79.5	Confident	1 Å²	1	74 Å²	74	1%	0.007	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.3	174.7	-178	0	0	0	0	111.3	N47 L48 V61 C62 E63 R64 V66 C722	N47-C59 CarbonylContact O-C 3.5Å; N47-C59 WeakPolarHBondContact O-CA 3.32Å; L48-C59 HydrophobicContact CD2-CB 3.76Å; C59-V61 VanDerWaalsContact C-N 3.29Å; C59-V61 PolarHBondContact O-N 3.28Å; C59-C62 HydrophobicContact CB-CB 4.09Å; C59-C62 PolarHBondContact O-N 2.76Å; C59-C62 VanDerWaalsContact SG-SG 3.63Å; C59-E63 PolarHBondContact O-N 2.84Å; C59-R64 PolarHBondContact N-O 3.31Å; C59-R64 PolarHBondContact O-N 2.76Å; C59-V66 HydrophobicContact CB-CG2 4.09Å; C59-C722 PolarHBondContact SG-SG 2.75Å
60	Y	82.9	Confident	77.3	Confident	39 Å²	39	80.8 Å²	80.8	15%	0.153	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.9	-178.3	-66.4	-72.4	0	0	0	114.6	S34 T35 A38 N47 T49 W58	S34-Y60 WeakPolarHBondContact CB-OH 3.34Å; T35-Y60 HydrophobicContact CG2-CD1 4.27Å; T35-Y60 HydrophobicContact CG2-CE1 4.14Å; T35-Y60 WeakPolarHBondContact OG1-CE1 3.5Å; A38-Y60 HydrophobicContact CB-CD1 4.26Å; A38-Y60 HydrophobicContact CB-CD2 3.26Å; A38-Y60 HydrophobicContact CB-CE2 3.74Å; A38-Y60 HydrophobicContact CB-CG 3.56Å; N47-Y60 PolarHBondContact O-N 2.79Å; T49-Y60 HydrophobicContact CG2-CE2 3.74Å; T49-Y60 VanDerWaalsContact OG1-CE2 3.31Å; T49-Y60 WeakPolarHBondContact OG1-CE2 3.26Å; T49-Y60 PolarHBondContact OG1-OH 3.21Å; W58-Y60 AromaticContact CD1-CD1 3.53Å; W58-Y60 AromaticContact CD1-CE1 3.38Å; W58-Y60 AromaticContact CD1-CG 3.9Å; W58-Y60 AromaticContact CD1-CZ 3.67Å; W58-Y60 AromaticContact NE1-CD1 3.49Å; W58-Y60 AromaticContact NE1-CE1 3.58Å
61	V	79.9	Confident	74.6	Confident	67 Å²	67	89.9 Å²	89.9	41%	0.406	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-24.7	176.3	-179.6	0	0	0	0	111.8	N47 C59 H724	N47-V61 HydrophobicContact CB-CG2 3.94Å; N47-V61 VanDerWaalsContact CG-CG2 3.42Å; C59-V61 VanDerWaalsContact C-N 3.29Å; C59-V61 PolarHBondContact O-N 3.28Å; V61-H724 WeakPolarHBondContact CG1-CE1 3.29Å
62	C	74.8	Confident	72	Confident	49 Å²	49	95.8 Å²	95.8	33%	0.331	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-6.4	176.1	-61.3	0	0	0	0	113.2	C59 R64	C59-C62 HydrophobicContact CB-CB 4.09Å; C59-C62 PolarHBondContact O-N 2.76Å; C59-C62 VanDerWaalsContact SG-SG 3.63Å; C62-R64 HydrophobicContact CB-CB 4.44Å; C62-R64 VanDerWaalsContact O-CG 3.27Å; C62-R64 WeakPolarHBondContact O-CG 3.44Å; C62-R64 PolarHBondContact O-N 2.8Å
63	E	81.3	Confident	69.3	Low	160 Å²	160	96.4 Å²	96.4	75%	0.748	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	38	-175.2	-61.5	-177.3	170.4	0	0	112.9	W58 C59	W58-E63 WeakPolarHBondContact CH2-O 3.41Å; W58-E63 VanDerWaalsContact CZ2-C 3.45Å; C59-E63 PolarHBondContact O-N 2.84Å
64	R	78.5	Confident	66.9	Low	181 Å²	181	101.1 Å²	101.1	68%	0.683	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.3	-170.4	-75.3	170.9	-171	-164.1	0.1	112.3	W58 C59 C62	W58-R64 VanDerWaalsContact CE3-C 3.48Å; C59-R64 PolarHBondContact N-O 3.31Å; C59-R64 PolarHBondContact O-N 2.76Å; C62-R64 HydrophobicContact CB-CB 4.44Å; C62-R64 VanDerWaalsContact O-CG 3.27Å; C62-R64 WeakPolarHBondContact O-CG 3.44Å; C62-R64 PolarHBondContact O-N 2.8Å
65	E	78.3	Confident	64.4	Low	42 Å²	42	103.4 Å²	103.4	20%	0.196	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.6	165.6	178.2	168.3	-161.7	0	0	110.8	R56 I57 W58 F67	R56-E65 WeakPolarHBondContact CB-OE1 3.45Å; R56-E65 VanDerWaalsContact CG-OE1 3.32Å; R56-E65 WeakPolarHBondContact CG-OE1 3.32Å; R56-E65 IonicContact CZ-OE1 2.63Å; R56-E65 IonicContact CZ-OE2 3.82Å; R56-E65 IonicContact NE-OE1 2.65Å; R56-E65 PolarHBondContact NE-OE1 3.1Å; R56-E65 IonicContact NE-OE2 3.96Å; R56-E65 IonicContact NH2-OE1 2.65Å; R56-E65 PolarHBondContact NH2-OE1 3.11Å; R56-E65 IonicContact NH2-OE2 2.66Å; R56-E65 PolarHBondContact NH2-OE2 3.16Å; I57-E65 CarbonylContact O-C 3.52Å; I57-E65 WeakPolarHBondContact O-CA 3.24Å; W58-E65 HydrophobicContact CE3-CB 4.03Å; W58-E65 HydrophobicContact CZ3-CB 4.18Å; E65-F67 HydrophobicContact CB-CE2 3.91Å; E65-F67 HydrophobicContact CB-CZ 3.9Å; E65-F67 VanDerWaalsContact CD-CE1 3.44Å; E65-F67 HydrophobicContact CG-CD1 4.27Å; E65-F67 HydrophobicContact CG-CD2 4.29Å; E65-F67 HydrophobicContact CG-CE1 3.89Å; E65-F67 HydrophobicContact CG-CE2 3.92Å; E65-F67 HydrophobicContact CG-CG 4.45Å; E65-F67 HydrophobicContact CG-CZ 3.7Å; E65-F67 WeakPolarHBondContact OE2-CZ 3.49Å
66	V	76.7	Confident	62	Low	14 Å²	14	101.9 Å²	101.9	9%	0.085	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115	173.2	176.6	0	0	0	0	107.1	L48 I57 C59 F720	L48-V66 HydrophobicContact CD2-CG2 4.44Å; I57-V66 HydrophobicContact CB-CB 3.96Å; I57-V66 HydrophobicContact CB-CG1 4.5Å; I57-V66 HydrophobicContact CG2-CB 3.85Å; I57-V66 HydrophobicContact CG2-CG1 4.38Å; I57-V66 HydrophobicContact CG2-CG2 4.24Å; I57-V66 PolarHBondContact O-N 3.5Å; C59-V66 HydrophobicContact CB-CG2 4.09Å; V66-F720 WeakPolarHBondContact CG1-O 3.39Å
67	F	64.8	Low	59.4	Low	126 Å²	126	102.3 Å²	102.3	55%	0.553	53%	0.531	S	S	*	.			trans	-90.8	111.3	-173.2	-66.8	-86.8	0	0	0	110.9	E65	E65-F67 HydrophobicContact CB-CE2 3.91Å; E65-F67 HydrophobicContact CB-CZ 3.9Å; E65-F67 VanDerWaalsContact CD-CE1 3.44Å; E65-F67 HydrophobicContact CG-CD1 4.27Å; E65-F67 HydrophobicContact CG-CD2 4.29Å; E65-F67 HydrophobicContact CG-CE1 3.89Å; E65-F67 HydrophobicContact CG-CE2 3.92Å; E65-F67 HydrophobicContact CG-CG 4.45Å; E65-F67 HydrophobicContact CG-CZ 3.7Å; E65-F67 WeakPolarHBondContact OE2-CZ 3.49Å
68	L	58.2	Low	56.8	Low	98 Å²	98	106.9 Å²	106.9	51%	0.513	56%	0.562	S	S	.	*			trans	-99.8	96.1	163.6	-61.7	-178.1	0	0	0	108.1	I57 Q70 L721	I57-L68 HydrophobicContact CD1-CD1 3.55Å; I57-L68 HydrophobicContact CD1-CG 4.18Å; L68-Q70 PolarHBondContact O-N 2.9Å; L68-L721 HydrophobicContact CD2-CD2 4.3Å
69	D	48.1	Very low	54.2	Low	151 Å²	151	110.2 Å²	110.2	81%	0.807	59%	0.59	S	S	*	*			trans	-60.1	126.6	179.3	-84.6	-29.8	0	0	0	111
70	Q	42.3	Very low	51.5	Low	144 Å²	144	114.4 Å²	114.4	67%	0.673	63%	0.625	S	S	*	*			trans	-130.5	127.9	173	-87	-153.4	23.4	0	0	112.5	L68	L68-Q70 PolarHBondContact O-N 2.9Å
71	R	32.5	Very low	48.9	Very low	213 Å²	213	117.7 Å²	117.7	80%	0.804	65%	0.654	S	S	*	*			trans	76.5	103.7	159.3	-58.9	171.9	-170.3	-151.6	-2.7	117.8
72	P	34.8	Very low	46.5	Very low	126 Å²	126	122.9 Å²	122.9	82%	0.818	67%	0.673	S	S	*	*			trans	-53.4	150.8	131.9	-15.9	31.2	0	0	0	110.5
73	A	31	Very low	44.3	Very low	90 Å²	90	129.3 Å²	129.3	74%	0.744	70%	0.698	S	S	*	*			trans	-77.2	131.5	-179	0	0	0	0	0	112	V75	A73-V75 PolarHBondContact O-N 3.17Å; A73-V75 VanDerWaalsContact O-N 3.07Å
74	L	32.5	Very low	41.6	Very low	178 Å²	178	127 Å²	127	93%	0.932	70%	0.699	S	S	*	*			trans	-71	100.5	173.1	-72.8	169.4	0	0	0	110.6
75	V	29.8	Very low	39	Very low	121 Å²	121	128.3 Å²	128.3	73%	0.733	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-85.2	129.7	168.6	-177.3	0	0	0	0	109.3	A73 V77	A73-V75 PolarHBondContact O-N 3.17Å; A73-V75 VanDerWaalsContact O-N 3.07Å; V75-V77 PolarHBondContact O-N 2.84Å
76	P	31.1	Very low	36.5	Very low	118 Å²	118	131.1 Å²	131.1	77%	0.766	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-70.2	117.6	176	-17.2	31.2	0	0	0	111.5	P78	P76-P78 WeakPolarHBondContact O-CD 3.29Å
77	V	30	Very low	34.1	Very low	133 Å²	133	135.4 Å²	135.4	81%	0.806	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-76.7	124.5	174.1	179.4	0	0	0	0	109.9	V75	V75-V77 PolarHBondContact O-N 2.84Å
78	P	32.3	Very low	32.2	Very low	112 Å²	112	138.3 Å²	138.3	73%	0.727	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.6	140.6	172.6	-17.4	32	0	0	0	111.7	P76 A80	P76-P78 WeakPolarHBondContact O-CD 3.29Å; P78-A80 PolarHBondContact O-N 2.78Å
79	V	30.7	Very low	30.8	Very low	151 Å²	151	142 Å²	142	92%	0.915	81%	0.807	S	S	*	*			trans	-70.7	110.8	176.8	-179.2	0	0	0	0	110.2
80	A	30.5	Very low	29.6	Very low	89 Å²	89	143.2 Å²	143.2	74%	0.736	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-95.3	136.7	169.4	0	0	0	0	0	110.8	P78	P78-A80 PolarHBondContact O-N 2.78Å
81	S	28.8	Very low	29	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-74.5	131	-174.8	55.3	0	0	0	0	113.3	H83	S81-H83 PolarHBondContact O-N 3.25Å
82	H	29.5	Very low	28.6	Very low	175 Å²	175	135.9 Å²	135.9	81%	0.81	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-59.4	131.6	170.4	-65.9	-87.5	0	0	0	112.2
83	H	28.3	Very low	28.3	Very low	185 Å²	185	136.2 Å²	136.2	86%	0.856	82%	0.817	S	S	*	*			trans	-132.9	93.7	156.1	-113.2	-52.5	0	0	0	109.6	S81	S81-H83 PolarHBondContact O-N 3.25Å
84	C	24	Very low	28.1	Very low	112 Å²	112	141 Å²	141	76%	0.757	82%	0.823	S	S	*	*			trans	-71.1	135.3	174.6	-57.9	0	0	0	0	110.6
85	K	24.1	Very low	27.7	Very low	207 Å²	207	137.8 Å²	137.8	90%	0.9	82%	0.816	S	S	*	*			trans	-127.6	118.7	152.7	-78.7	-171.6	174.5	-177.7	0	107.7
86	A	26.2	Very low	27.7	Very low	102 Å²	102	137 Å²	137	84%	0.843	82%	0.823	S	S	*	*			trans	-75.3	141.8	168.5	0	0	0	0	0	109.4
87	A	27.3	Very low	27.3	Very low	103 Å²	103	134.7 Å²	134.7	85%	0.851	82%	0.82	S	S	*	*			trans	-137.8	111.3	162.5	0	0	0	0	0	106.2
88	E	24.9	Very low	27.1	Very low	188 Å²	188	136.4 Å²	136.4	88%	0.879	82%	0.819	S	S	*	*			trans	-84.8	129.9	176.7	-60.6	166.8	121	0	0	108.5
89	Q	28	Very low	27	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.822	82%	0.817	S	S	*	*			trans	-151.9	105.8	154	-130.2	162.3	-4.4	0	0	114.1
90	E	23.6	Very low	27.1	Very low	175 Å²	175	131.5 Å²	131.5	82%	0.818	79%	0.787	S	S	*	*			trans	37.1	122.6	142	-58.2	-176.7	121.3	0	0	120.3
91	A	28.8	Very low	27.1	Very low	104 Å²	104	136 Å²	136	86%	0.86	79%	0.79	S	S	*	*			trans	-75	127.7	173.4	0	0	0	0	0	112.4
92	A	24.7	Very low	27.7	Very low	100 Å²	100	133.6 Å²	133.6	83%	0.826	78%	0.777	S	S	*	*			trans	-100.3	126.5	169.1	0	0	0	0	0	110.7
93	V	29.2	Very low	28.1	Very low	133 Å²	133	126.6 Å²	126.6	81%	0.806	75%	0.746	S	S	*	*			trans	-100.4	114.8	178.7	177	0	0	0	0	110.5
94	Q	26.5	Very low	28.6	Very low	189 Å²	189	122.2 Å²	122.2	88%	0.883	73%	0.734	S	S	*	*			trans	-176.2	146.9	166.4	-101.2	146	96.4	0	0	107.6
95	S	22.6	Very low	29.8	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	72%	0.721	S	S	*	*			cis	-146.5	179.8	-15.2	62.7	0	0	0	0	107.9	G97	S95-G97 PolarHBondContact O-N 2.93Å
96	A	29.9	Very low	30.3	Very low	106 Å²	106	112.2 Å²	112.2	88%	0.876	69%	0.685	S	S	*	*			trans	-69.5	112.9	179.8	0	0	0	0	0	111.5
97	G	23.1	Very low	30.9	Very low	69 Å²	69	111.1 Å²	111.1	71%	0.711	67%	0.667	S	S	*	*			trans	-104.8	159	176.7	0	0	0	0	0	113.1	S95	S95-G97 PolarHBondContact O-N 2.93Å
98	H	27	Very low	31.2	Very low	168 Å²	168	110.1 Å²	110.1	78%	0.778	66%	0.659	S	S	*	*			trans	-68.1	155.3	-175.3	-71.4	-119.5	0	0	0	113.2	L100	H98-L100 VanDerWaalsContact C-N 3.32Å; H98-L100 PolarHBondContact O-N 3.31Å
99	P	28.7	Very low	31.8	Very low	106 Å²	106	108.3 Å²	108.3	69%	0.688	65%	0.65	S	S	*	*	S	Bend	trans	-68.4	-22	-172	-21.3	34.4	0	0	0	115.6	K101	P99-K101 PolarHBondContact O-N 3.14Å
100	L	33.8	Very low	32.3	Very low	55 Å²	55	107.7 Å²	107.7	29%	0.288	65%	0.647	S	S	.	*			trans	-80.2	27	-167.4	-63.6	-169.2	0	0	0	116.1	H98 A102 E592	H98-L100 VanDerWaalsContact C-N 3.32Å; H98-L100 PolarHBondContact O-N 3.31Å; L100-A102 PolarHBondContact O-N 3.29Å; L100-A102 VanDerWaalsContact O-N 3.14Å; L100-E592 HydrophobicContact CD1-CG 4.18Å; L100-E592 WeakPolarHBondContact CD1-OE1 3.39Å
101	K	31.1	Very low	33	Very low	182 Å²	182	107 Å²	107	79%	0.791	65%	0.649	S	S	*	*			trans	-68.5	112.5	163.1	-87.5	-167	173.7	-173.5	0	108.9	P99 V103	P99-K101 PolarHBondContact O-N 3.14Å; K101-V103 PolarHBondContact O-N 2.78Å
102	A	39.9	Very low	33.3	Very low	59 Å²	59	104.6 Å²	104.6	49%	0.488	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-54.5	130.8	170.8	0	0	0	0	0	109.8	L100 V637	L100-A102 PolarHBondContact O-N 3.29Å; L100-A102 VanDerWaalsContact O-N 3.14Å; A102-V637 WeakPolarHBondContact CB-O 3.49Å
103	V	38.8	Very low	34.2	Very low	29 Å²	29	106.2 Å²	106.2	18%	0.176	64%	0.64	C	S	.	*	P	Polyproline II helix	trans	-65.5	132.1	174.8	-170.7	0	0	0	0	107.3	K101 I105 V676 R679 Q680 V683	K101-V103 PolarHBondContact O-N 2.78Å; V103-I105 PolarHBondContact O-N 3.4Å; V103-V676 HydrophobicContact CG2-CG1 3.82Å; V103-R679 HydrophobicContact CB-CB 4.19Å; V103-R679 HydrophobicContact CG1-CB 3.94Å; V103-R679 HydrophobicContact CG2-CB 4.23Å; V103-Q680 HydrophobicContact CB-CG 4.49Å; V103-Q680 HydrophobicContact CG1-CG 3.84Å; V103-Q680 HydrophobicContact CG2-CG 3.78Å; V103-V683 HydrophobicContact CG1-CG2 4.02Å
104	P	38.7	Very low	34.8	Very low	93 Å²	93	104.2 Å²	104.2	60%	0.604	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-50.5	138.7	173	-28.1	35.8	0	0	0	110.9	A106 V683	P104-A106 PolarHBondContact O-N 3.04Å; P104-V683 WeakPolarHBondContact O-CG2 3.16Å
105	I	48.7	Very low	35.6	Very low	92 Å²	92	98.6 Å²	98.6	47%	0.472	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-56.1	133	177.3	-64.3	175.3	0	0	0	107.7	V103 V107	V103-I105 PolarHBondContact O-N 3.4Å; I105-V107 PolarHBondContact O-N 2.96Å
106	A	35.1	Very low	37	Very low	17 Å²	17	101.2 Å²	101.2	14%	0.14	60%	0.603	C	S	.	*	S	Bend	trans	-73.3	25.1	-165.2	0	0	0	0	0	115.6	P104 V682 V683 N707	P104-A106 PolarHBondContact O-N 3.04Å; A106-V682 HydrophobicContact CB-CG1 4.13Å; A106-V683 HydrophobicContact CB-CG2 4.12Å; A106-N707 PolarHBondContact N-OD1 3.43Å
107	V	38.3	Very low	38	Very low	78 Å²	78	103.4 Å²	103.4	47%	0.473	60%	0.595	S	S	.	*			trans	-143.5	116.5	179.3	-161.8	0	0	0	0	108.8	I105 L703	I105-V107 PolarHBondContact O-N 2.96Å; V107-L703 HydrophobicContact CG2-CD2 3.64Å; V107-L703 HydrophobicContact CG2-CG 4.41Å
108	A	33.9	Very low	39.4	Very low	82 Å²	82	103 Å²	103	68%	0.678	58%	0.577	S	S	*	*			trans	-74.7	131.6	160.2	0	0	0	0	0	108.4	E110	A108-E110 PolarHBondContact O-N 3.47Å; A108-E110 VanDerWaalsContact O-N 3.17Å
109	E	37.3	Very low	40.8	Very low	150 Å²	150	100.5 Å²	100.5	70%	0.701	57%	0.566	S	S	*	*			trans	-74.6	106	178.5	-62.4	-157.8	119.1	0	0	110.3	D111	E109-D111 PolarHBondContact O-N 3.26Å
110	E	38.4	Very low	42	Very low	163 Å²	163	102.1 Å²	102.1	76%	0.762	57%	0.568	S	S	*	*	S	Bend	trans	-72.9	55.8	168.5	-72	-166.7	165.8	0	0	111.5	A108 K689	A108-E110 PolarHBondContact O-N 3.47Å; A108-E110 VanDerWaalsContact O-N 3.17Å; E110-K689 IonicContact OE1-NZ 2.65Å; E110-K689 PolarHBondContact OE1-NZ 3.43Å
111	D	37.6	Very low	43.5	Very low	161 Å²	161	105 Å²	105	86%	0.861	58%	0.578	S	S	*	*	S	Bend	trans	-156.3	58.5	169.5	-130.9	-13.1	0	0	0	113.4	E109	E109-D111 PolarHBondContact O-N 3.26Å
112	G	36.4	Very low	45.6	Very low	53 Å²	53	98.1 Å²	98.1	55%	0.546	55%	0.552	S	S	.	*			trans	175.5	143.6	172.4	0	0	0	0	0	114.3	E114	G112-E114 PolarHBondContact O-N 2.82Å; G112-E114 VanDerWaalsContact O-N 3.08Å
113	S	43.5	Very low	47.9	Very low	135 Å²	135	98.2 Å²	98.2	94%	0.944	54%	0.54	S	S	*	.			trans	-82.8	67.5	167	62.7	0	0	0	0	109.7
114	E	40.7	Very low	50.1	Low	91 Å²	91	96.9 Å²	96.9	43%	0.425	53%	0.531	S	S	.	.			trans	-90	132.3	-177.1	-52.4	-144.6	151.5	0	0	111	G112 K183	G112-E114 PolarHBondContact O-N 2.82Å; G112-E114 VanDerWaalsContact O-N 3.08Å; E114-K183 IonicContact OE1-NZ 2.72Å; E114-K183 PolarHBondContact OE1-NZ 3.36Å; E114-K183 IonicContact OE2-NZ 3.49Å; E114-K183 PolarHBondContact OE2-NZ 3.27Å
115	S	44.8	Very low	52.7	Low	71 Å²	71	93.8 Å²	93.8	50%	0.497	51%	0.51	S	S	.	.			trans	-78.8	138.1	169.7	51.6	0	0	0	0	109.8	E117 D118	S115-E117 PolarHBondContact O-N 3.04Å; S115-D118 PolarHBondContact O-N 3.3Å
116	E	52	Low	54.9	Low	165 Å²	165	89.4 Å²	89.4	77%	0.771	49%	0.487	S	S	*	.	H	α-helix	trans	-51	-28.2	-179.1	-58.2	176.9	150.7	0	0	113.3	D118 E119	E116-D118 VanDerWaalsContact C-N 3.27Å; E116-D118 PolarHBondContact O-N 2.93Å; E116-E119 PolarHBondContact O-N 3.29Å
117	E	50.6	Low	57.7	Low	152 Å²	152	88.6 Å²	88.6	71%	0.71	48%	0.481	S	S	*	.	H	α-helix	trans	-63	-20.5	174.6	-58.5	-171.8	153.4	0	0	115.5	S115	S115-E117 PolarHBondContact O-N 3.04Å
118	D	52.3	Low	60.5	Low	60 Å²	60	84.9 Å²	84.9	32%	0.321	46%	0.458	S	S	.	.	H	α-helix	trans	-95.3	-14.8	-176.5	-134.5	34	0	0	0	112.9	S115 E116 K121	S115-D118 PolarHBondContact O-N 3.3Å; E116-D118 VanDerWaalsContact C-N 3.27Å; E116-D118 PolarHBondContact O-N 2.93Å; D118-K121 WeakPolarHBondContact OD1-CD 3.24Å; D118-K121 WeakPolarHBondContact OD1-CE 3.43Å; D118-K121 IonicContact OD1-NZ 2.69Å; D118-K121 PolarHBondContact OD1-NZ 3.36Å
119	E	55.2	Low	63.4	Low	117 Å²	117	84.9 Å²	84.9	55%	0.547	44%	0.443	S	S	.	.	H	α-helix	trans	-74.2	-37.1	167.4	-65	-159.5	128.8	0	0	111.8	E116 K121	E116-E119 PolarHBondContact O-N 3.29Å; E119-K121 PolarHBondContact O-N 2.95Å
120	L	54.8	Low	65.9	Low	139 Å²	139	80.1 Å²	80.1	73%	0.728	42%	0.422	S	S	*	.	S	Bend	trans	-72.3	-5.3	-173.6	-65.7	172.3	0	0	0	115
121	K	66.2	Low	68.2	Low	117 Å²	117	76.6 Å²	76.6	51%	0.509	41%	0.408	S	S	.	.	S	Bend	trans	-80.8	121.7	-179	-71	169.8	-170.6	163.9	0	110.6	D118 E119 R123	D118-K121 WeakPolarHBondContact OD1-CD 3.24Å; D118-K121 WeakPolarHBondContact OD1-CE 3.43Å; D118-K121 IonicContact OD1-NZ 2.69Å; D118-K121 PolarHBondContact OD1-NZ 3.36Å; E119-K121 PolarHBondContact O-N 2.95Å; K121-R123 PolarHBondContact O-N 3.29Å
122	P	75.1	Confident	70.3	Confident	37 Å²	37	71.7 Å²	71.7	24%	0.24	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-60.7	126.9	-177.3	23.6	-33.1	0	0	0	111.2	L125 R185	P122-L125 HydrophobicContact CB-CD1 3.88Å; P122-L125 HydrophobicContact CB-CG 4.43Å; P122-L125 HydrophobicContact CG-CD1 3.94Å; P122-R185 VanDerWaalsContact O-CZ 3.27Å; P122-R185 PolarHBondContact O-NH1 3.03Å; P122-R185 PolarHBondContact O-NH2 3.21Å
123	R	86.9	Confident	72.5	Confident	61 Å²	61	72.5 Å²	72.5	23%	0.23	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-96.4	163.5	177.9	-54.9	-176	-170.8	167.5	5.9	110	K121 L125 W181 N636 I638	K121-R123 PolarHBondContact O-N 3.29Å; R123-L125 PolarHBondContact O-N 3.47Å; R123-W181 HydrophobicContact CB-CE3 3.6Å; R123-W181 HydrophobicContact CB-CZ3 4Å; R123-W181 WeakPolarHBondContact O-CZ3 3.48Å; R123-N636 PolarHBondContact O-ND2 2.99Å; R123-I638 HydrophobicContact CB-CD1 3.73Å; R123-I638 HydrophobicContact CG-CD1 4.04Å
124	G	86.6	Confident	74.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	80.9	-16.4	-178.3	0	0	0	0	0	115.9	T126 L180 W181	G124-T126 PolarHBondContact O-N 3.1Å; G124-L180 WeakPolarHBondContact CA-O 3.38Å; G124-L180 PolarHBondContact N-O 3.11Å; G124-W181 VanDerWaalsContact CA-CE2 3.5Å
125	L	91.8	Very high	77.1	Confident	28 Å²	28	62.2 Å²	62.2	15%	0.147	33%	0.325	C	S	.	.			trans	-76.9	85.7	175.1	-47.6	179	0	0	0	110.4	P122 R123 R185 N636 Y643 F645 V650	P122-L125 HydrophobicContact CB-CD1 3.88Å; P122-L125 HydrophobicContact CB-CG 4.43Å; P122-L125 HydrophobicContact CG-CD1 3.94Å; R123-L125 PolarHBondContact O-N 3.47Å; L125-R185 PolarHBondContact O-NE 3.47Å; L125-R185 PolarHBondContact O-NH2 2.85Å; L125-N636 HydrophobicContact CD2-CB 4.17Å; L125-N636 VanDerWaalsContact CD2-ND2 3.33Å; L125-N636 WeakPolarHBondContact CD2-ND2 3.06Å; L125-Y643 HydrophobicContact CD1-CD1 4.13Å; L125-Y643 HydrophobicContact CD1-CD2 4.22Å; L125-Y643 HydrophobicContact CD1-CE1 3.73Å; L125-Y643 HydrophobicContact CD1-CE2 3.8Å; L125-Y643 HydrophobicContact CD1-CG 4.38Å; L125-Y643 HydrophobicContact CD2-CD1 4.08Å; L125-Y643 HydrophobicContact CD2-CD2 3.44Å; L125-Y643 VanDerWaalsContact CD2-CD2 3.44Å; L125-Y643 HydrophobicContact CD2-CE1 4.44Å; L125-Y643 HydrophobicContact CD2-CE2 3.83Å; L125-Y643 HydrophobicContact CD2-CG 3.59Å; L125-Y643 HydrophobicContact CG-CD2 4.48Å; L125-Y643 HydrophobicContact CG-CE2 4.45Å; L125-F645 HydrophobicContact CD2-CZ 3.98Å; L125-V650 HydrophobicContact CB-CG1 4.32Å; L125-V650 HydrophobicContact CD2-CG1 4.45Å
126	T	94.4	Very high	79.3	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	30%	0.304	C	S	.	.			trans	-150.4	133.4	174.7	-76.7	0	0	0	0	109.3	G124 Q142 L180 R185 P186 V189	G124-T126 PolarHBondContact O-N 3.1Å; T126-Q142 PolarHBondContact O-NE2 3.33Å; T126-L180 HydrophobicContact CG2-CD2 3.7Å; T126-R185 WeakPolarHBondContact OG1-CD 3.42Å; T126-R185 WeakPolarHBondContact OG1-CG 3.39Å; T126-R185 PolarHBondContact OG1-NE 3.37Å; T126-R185 VanDerWaalsContact OG1-NE 3.16Å; T126-P186 VanDerWaalsContact CG2-O 3.23Å; T126-P186 WeakPolarHBondContact CG2-O 3.16Å; T126-P186 PolarHBondContact OG1-O 2.82Å; T126-V189 HydrophobicContact CG2-CG1 3.94Å
127	G	95.6	Very high	81.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	168.6	-179.5	0	0	0	0	0	114.1	S187 Y188 V189 D647	G127-S187 PolarHBondContact N-O 3.42Å; G127-Y188 CarbonylContact O-C 3.49Å; G127-Y188 WeakPolarHBondContact O-CA 3.45Å; G127-V189 PolarHBondContact O-N 3.28Å; G127-D647 CarbonylContact C-O 3.57Å; G127-D647 WeakPolarHBondContact CA-O 3.5Å
128	M	95.9	Very high	83.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.8	170.6	-86	178.3	-78.2	0	0	110.6	N130 N138 L141 Q142 L176 L180 V189 P191 D647 Q648	M128-N130 PolarHBondContact O-N 2.9Å; M128-N138 HydrophobicContact CB-CB 4.12Å; M128-N138 WeakPolarHBondContact CE-O 3.5Å; M128-N138 PolarHBondContact O-ND2 2.8Å; M128-N138 VanDerWaalsContact O-ND2 3.17Å; M128-L141 HydrophobicContact CE-CB 3.58Å; M128-L141 HydrophobicContact SD-CB 3.89Å; M128-L141 HydrophobicContact SD-CD1 4Å; M128-Q142 HydrophobicContact CE-CB 4.48Å; M128-Q142 HydrophobicContact CE-CG 3.56Å; M128-L176 HydrophobicContact SD-CD1 4.24Å; M128-L176 HydrophobicContact SD-CD2 4.05Å; M128-L180 HydrophobicContact CE-CD1 4.36Å; M128-V189 WeakPolarHBondContact CA-O 3.33Å; M128-V189 HydrophobicContact CG-CG2 3.66Å; M128-P191 HydrophobicContact CG-CG 4.37Å; M128-P191 HydrophobicContact SD-CB 4.33Å; M128-P191 HydrophobicContact SD-CG 4.17Å; M128-D647 CarbonylContact C-O 3.49Å; M128-D647 PolarHBondContact N-O 3.24Å; M128-D647 CarbonylContact O-C 2.95Å; M128-D647 VanDerWaalsContact O-CA 3.28Å; M128-D647 WeakPolarHBondContact O-CA 3.42Å; M128-D647 WeakPolarHBondContact O-CB 3.42Å; M128-D647 VanDerWaalsContact O-O 3.13Å; M128-Q648 PolarHBondContact O-N 2.66Å
129	K	94.2	Very high	85.5	Confident	82 Å²	82	42.2 Å²	42.2	36%	0.357	22%	0.222	S	C	.	.			trans	-60.7	134.2	-176.8	-173.1	167.4	-174.6	169.6	0	112.5	I131 N138 Y188 V189 V190	K129-I131 WeakPolarHBondContact O-CG1 3.3Å; K129-I131 PolarHBondContact O-N 3.05Å; K129-N138 PolarHBondContact O-ND2 2.85Å; K129-Y188 HydrophobicContact CB-CD2 3.87Å; K129-Y188 HydrophobicContact CB-CE2 4.18Å; K129-Y188 HydrophobicContact CD-CD2 4.35Å; K129-Y188 HydrophobicContact CD-CE2 3.82Å; K129-V189 PolarHBondContact N-O 3.47Å; K129-V190 HydrophobicContact CB-CG2 4.05Å; K129-V190 HydrophobicContact CD-CG2 4.37Å
130	N	90.3	Very high	87.5	Confident	49 Å²	49	36.7 Å²	36.7	26%	0.262	20%	0.196	S	C	.	.			trans	-67.2	131	172.8	-158.5	-37.3	0	0	0	110.9	M128 G132 N133 S134 D647	M128-N130 PolarHBondContact O-N 2.9Å; N130-G132 PolarHBondContact OD1-N 3.27Å; N130-G132 PolarHBondContact OD1-O 3.29Å; N130-N133 PolarHBondContact OD1-N 3.23Å; N130-S134 VanDerWaalsContact CA-OG 3.29Å; N130-S134 WeakPolarHBondContact CA-OG 3.38Å; N130-S134 PolarHBondContact OD1-N 3.28Å; N130-S134 PolarHBondContact OD1-OG 3.41Å; N130-D647 HydrophobicContact CB-CB 4.15Å; N130-D647 WeakPolarHBondContact CB-OD2 3.34Å; N130-D647 PolarHBondContact ND2-OD2 3.03Å
131	I	86.9	Confident	89.5	Confident	90 Å²	90	30.1 Å²	30.1	46%	0.462	16%	0.162	S	C	.	.			trans	-109.2	37.9	179.7	-33.6	-179	0	0	0	110.2	K129 S134 V190	K129-I131 WeakPolarHBondContact O-CG1 3.3Å; K129-I131 PolarHBondContact O-N 3.05Å; I131-S134 PolarHBondContact N-OG 2.76Å; I131-V190 HydrophobicContact CD1-CG1 3.69Å; I131-V190 HydrophobicContact CG1-CG1 4.17Å
132	G	82.6	Confident	91	Very high	58 Å²	58	24.7 Å²	24.7	60%	0.598	14%	0.138	S	C	*	.	S	Bend	trans	113.7	-78	178.9	0	0	0	0	0	111.9	N130	N130-G132 PolarHBondContact OD1-N 3.27Å; N130-G132 PolarHBondContact OD1-O 3.29Å
133	N	81.3	Confident	92	Very high	69 Å²	69	22.9 Å²	22.9	37%	0.369	13%	0.127	S	C	.	.	S	Bend	trans	-124.6	45.1	177.2	-70.2	-35	0	0	0	110.3	N130 Y136 Q215	N130-N133 PolarHBondContact OD1-N 3.23Å; N133-Y136 WeakPolarHBondContact O-CD1 3.28Å; N133-Y136 WeakPolarHBondContact O-CE1 3.41Å; N133-Q215 HydrophobicContact CB-CG 4.35Å
134	S	88.9	Confident	92.5	Very high	7 Å²	7	20 Å²	20	5%	0.049	12%	0.116	C	C	.	.			trans	-98.5	1.3	-172.6	67.9	0	0	0	0	115.7	N130 I131 Y136 M137 N138	N130-S134 VanDerWaalsContact CA-OG 3.29Å; N130-S134 WeakPolarHBondContact CA-OG 3.38Å; N130-S134 PolarHBondContact OD1-N 3.28Å; N130-S134 PolarHBondContact OD1-OG 3.41Å; I131-S134 PolarHBondContact N-OG 2.76Å; S134-Y136 VanDerWaalsContact C-N 3.26Å; S134-Y136 PolarHBondContact O-N 2.81Å; S134-M137 WeakPolarHBondContact O-CB 3.43Å; S134-M137 PolarHBondContact O-N 2.95Å; S134-N138 VanDerWaalsContact O-CG 3.32Å; S134-N138 PolarHBondContact O-N 2.92Å; S134-N138 PolarHBondContact OG-ND2 3.2Å
135	C	92.1	Very high	93	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-55.5	-37.3	-177.9	53.4	0	0	0	0	113.4	M137 N138 A139 H629 D647	C135-M137 PolarHBondContact O-N 3.2Å; C135-N138 PolarHBondContact O-N 2.84Å; C135-A139 WeakPolarHBondContact O-CB 3.47Å; C135-A139 PolarHBondContact O-N 3.04Å; C135-H629 VanDerWaalsContact CB-CE1 3.46Å; C135-H629 WeakPolarHBondContact CB-CE1 3.37Å; C135-H629 WeakPolarHBondContact CB-ND1 3.47Å; C135-H629 PolarHBondContact SG-ND1 3.05Å; C135-H629 VanDerWaalsContact SG-ND1 3.38Å; C135-D647 WeakPolarHBondContact CA-OD1 3.5Å
136	Y	91.3	Very high	93.1	Very high	14 Å²	14	19 Å²	19	6%	0.055	11%	0.111	C	C	.	.	H	α-helix	trans	-55.9	-48.1	174	77.4	-87.6	0	0	0	112.4	N133 S134 A140 F205 Q216 T218 F221	N133-Y136 WeakPolarHBondContact O-CD1 3.28Å; N133-Y136 WeakPolarHBondContact O-CE1 3.41Å; S134-Y136 VanDerWaalsContact C-N 3.26Å; S134-Y136 PolarHBondContact O-N 2.81Å; Y136-A140 WeakPolarHBondContact O-CB 3.46Å; Y136-A140 PolarHBondContact O-N 2.84Å; Y136-F205 HydrophobicContact CE2-CD1 4.12Å; Y136-F205 HydrophobicContact CE2-CE1 4.26Å; Y136-Q216 WeakPolarHBondContact CB-O 3.43Å; Y136-Q216 HydrophobicContact CD1-CB 4.08Å; Y136-Q216 HydrophobicContact CD2-CB 3.93Å; Y136-Q216 HydrophobicContact CE1-CB 3.83Å; Y136-Q216 HydrophobicContact CE1-CG 3.99Å; Y136-Q216 HydrophobicContact CE2-CB 3.69Å; Y136-Q216 HydrophobicContact CE2-CG 4.36Å; Y136-Q216 HydrophobicContact CG-CB 4.14Å; Y136-T218 VanDerWaalsContact CA-OG1 3.3Å; Y136-T218 WeakPolarHBondContact CA-OG1 3.44Å; Y136-T218 VanDerWaalsContact CB-OG1 3.29Å; Y136-T218 WeakPolarHBondContact CB-OG1 3.32Å; Y136-T218 WeakPolarHBondContact O-CG2 3.49Å; Y136-F221 HydrophobicContact CD2-CB 3.79Å; Y136-F221 HydrophobicContact CD2-CD2 4.2Å; Y136-F221 HydrophobicContact CD2-CG 4.02Å; Y136-F221 HydrophobicContact CE2-CB 3.85Å; Y136-F221 AromaticContact CE2-CD2 3.6Å; Y136-F221 HydrophobicContact CE2-CD2 3.6Å; Y136-F221 HydrophobicContact CE2-CE2 4.44Å; Y136-F221 AromaticContact CE2-CG 3.89Å; Y136-F221 HydrophobicContact CE2-CG 3.89Å
137	M	93.4	Very high	93.2	Very high	9 Å²	9	19 Å²	19	4%	0.044	11%	0.11	C	C	.	.	H	α-helix	trans	-68.5	-42.7	176	162	177.2	67.8	0	0	111.1	S134 C135 A140 L141 P191 S195 F221	S134-M137 WeakPolarHBondContact O-CB 3.43Å; S134-M137 PolarHBondContact O-N 2.95Å; C135-M137 PolarHBondContact O-N 3.2Å; M137-A140 PolarHBondContact O-N 2.98Å; M137-L141 HydrophobicContact CG-CD1 3.49Å; M137-L141 VanDerWaalsContact CG-CD1 3.49Å; M137-L141 HydrophobicContact CG-CG 4.18Å; M137-L141 WeakPolarHBondContact O-CB 3.45Å; M137-L141 WeakPolarHBondContact O-CG 3.47Å; M137-L141 PolarHBondContact O-N 3.11Å; M137-L141 HydrophobicContact SD-CD1 4.21Å; M137-P191 HydrophobicContact CE-CG 4.26Å; M137-S195 VanDerWaalsContact SD-CB 3.55Å; M137-F221 HydrophobicContact CB-CD2 4.21Å; M137-F221 HydrophobicContact CB-CE1 4.2Å; M137-F221 HydrophobicContact CB-CE2 3.76Å; M137-F221 HydrophobicContact CB-CZ 3.79Å; M137-F221 HydrophobicContact CG-CE1 4.12Å; M137-F221 HydrophobicContact CG-CE2 3.72Å; M137-F221 HydrophobicContact CG-CZ 3.44Å; M137-F221 VanDerWaalsContact CG-CZ 3.44Å; M137-F221 HydrophobicContact SD-CE2 4.1Å; M137-F221 HydrophobicContact SD-CZ 4.19Å
138	N	95.5	Very high	93.1	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-45	-176.4	-68.9	-16.4	0	0	0	110.8	M128 K129 S134 C135 L141 Q142 D647	M128-N138 HydrophobicContact CB-CB 4.12Å; M128-N138 WeakPolarHBondContact CE-O 3.5Å; M128-N138 PolarHBondContact O-ND2 2.8Å; M128-N138 VanDerWaalsContact O-ND2 3.17Å; K129-N138 PolarHBondContact O-ND2 2.85Å; S134-N138 VanDerWaalsContact O-CG 3.32Å; S134-N138 PolarHBondContact O-N 2.92Å; S134-N138 PolarHBondContact OG-ND2 3.2Å; C135-N138 PolarHBondContact O-N 2.84Å; N138-L141 PolarHBondContact O-N 2.74Å; N138-Q142 WeakPolarHBondContact O-CG 3.45Å; N138-Q142 PolarHBondContact O-N 2.73Å; N138-D647 WeakPolarHBondContact CB-OD1 3.48Å; N138-D647 PolarHBondContact ND2-OD1 2.75Å
139	A	96.6	Very high	93.1	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175.3	0	0	0	0	0	112.5	C135 L141 Q142 A143 I617 A632	C135-A139 WeakPolarHBondContact O-CB 3.47Å; C135-A139 PolarHBondContact O-N 3.04Å; A139-L141 PolarHBondContact O-N 2.96Å; A139-Q142 PolarHBondContact O-N 2.97Å; A139-A143 PolarHBondContact O-N 3.17Å; A139-I617 HydrophobicContact CB-CG2 4.07Å; A139-A632 HydrophobicContact CB-CB 4.13Å
140	A	96.7	Very high	93.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.2	-44.2	173.1	0	0	0	0	0	113	Y136 M137 A143 L144 T218 F221 L222	Y136-A140 WeakPolarHBondContact O-CB 3.46Å; Y136-A140 PolarHBondContact O-N 2.84Å; M137-A140 PolarHBondContact O-N 2.98Å; A140-A143 PolarHBondContact O-N 2.67Å; A140-L144 WeakPolarHBondContact O-CG 3.36Å; A140-L144 PolarHBondContact O-N 3.17Å; A140-T218 HydrophobicContact CB-CG2 3.86Å; A140-F221 HydrophobicContact CB-CD1 3.44Å; A140-F221 VanDerWaalsContact CB-CD1 3.44Å; A140-F221 HydrophobicContact CB-CE1 3.62Å; A140-L222 HydrophobicContact CB-CD1 4.45Å; A140-L222 HydrophobicContact CB-CD2 3.59Å; A140-L222 HydrophobicContact CB-CG 3.73Å
141	L	97.1	Very high	93.4	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-69.4	-33.1	179.9	-70	171.9	0	0	0	112.1	M128 M137 N138 A139 S145 Y173 L176 P191 L194 F221 L225	M128-L141 HydrophobicContact CE-CB 3.58Å; M128-L141 HydrophobicContact SD-CB 3.89Å; M128-L141 HydrophobicContact SD-CD1 4Å; M137-L141 HydrophobicContact CG-CD1 3.49Å; M137-L141 VanDerWaalsContact CG-CD1 3.49Å; M137-L141 HydrophobicContact CG-CG 4.18Å; M137-L141 WeakPolarHBondContact O-CB 3.45Å; M137-L141 WeakPolarHBondContact O-CG 3.47Å; M137-L141 PolarHBondContact O-N 3.11Å; M137-L141 HydrophobicContact SD-CD1 4.21Å; N138-L141 PolarHBondContact O-N 2.74Å; A139-L141 PolarHBondContact O-N 2.96Å; L141-S145 WeakPolarHBondContact O-CB 3.35Å; L141-S145 PolarHBondContact O-N 2.81Å; L141-Y173 HydrophobicContact CD2-CD2 4.02Å; L141-Y173 HydrophobicContact CD2-CE2 3.8Å; L141-L176 HydrophobicContact CD1-CD2 3.93Å; L141-L176 HydrophobicContact CD2-CD2 4.32Å; L141-P191 HydrophobicContact CD1-CB 4.43Å; L141-L194 HydrophobicContact CD1-CD2 3.92Å; L141-L194 HydrophobicContact CD2-CD2 3.6Å; L141-L194 HydrophobicContact CG-CD2 4.45Å; L141-F221 HydrophobicContact CD2-CE1 4.48Å; L141-F221 HydrophobicContact CD2-CZ 4.48Å; L141-F221 HydrophobicContact CG-CE1 4.27Å; L141-F221 HydrophobicContact CG-CZ 4.33Å; L141-L225 HydrophobicContact CD2-CD2 3.66Å
142	Q	97.2	Very high	93.6	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.014	8%	0.076	C	C	.	.	H	α-helix	trans	-68.1	-42.4	172.1	-65.2	-63.4	16.4	0	0	112.1	T126 M128 N138 A139 S145 N146 A632 F645	T126-Q142 PolarHBondContact O-NE2 3.33Å; M128-Q142 HydrophobicContact CE-CB 4.48Å; M128-Q142 HydrophobicContact CE-CG 3.56Å; N138-Q142 WeakPolarHBondContact O-CG 3.45Å; N138-Q142 PolarHBondContact O-N 2.73Å; A139-Q142 PolarHBondContact O-N 2.97Å; Q142-S145 PolarHBondContact O-N 2.87Å; Q142-N146 PolarHBondContact O-N 3.23Å; Q142-N146 PolarHBondContact O-ND2 3.23Å; Q142-A632 HydrophobicContact CB-CB 4.21Å; Q142-F645 HydrophobicContact CB-CB 4.34Å; Q142-F645 HydrophobicContact CB-CD1 4.45Å; Q142-F645 HydrophobicContact CB-CG 4.25Å; Q142-F645 HydrophobicContact CG-CB 3.82Å; Q142-F645 HydrophobicContact CG-CD1 3.82Å; Q142-F645 HydrophobicContact CG-CG 3.9Å; Q142-F645 VanDerWaalsContact NE2-CD1 3.28Å
143	A	97.5	Very high	94.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.1	-46.8	177.2	0	0	0	0	0	111.8	A139 A140 N146 C147 S615 I617 F667	A139-A143 PolarHBondContact O-N 3.17Å; A140-A143 PolarHBondContact O-N 2.67Å; A143-N146 PolarHBondContact O-N 2.84Å; A143-C147 PolarHBondContact O-N 2.77Å; A143-C147 PolarHBondContact O-SG 3.02Å; A143-S615 WeakPolarHBondContact CB-OG 3.43Å; A143-I617 HydrophobicContact CB-CD1 3.91Å; A143-I617 HydrophobicContact CB-CG1 4.03Å; A143-F667 HydrophobicContact CB-CD2 3.79Å; A143-F667 HydrophobicContact CB-CE2 3.52Å; A143-F667 HydrophobicContact CB-CZ 4.07Å
144	L	97.3	Very high	94.7	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-66.6	-36.2	174.9	-68.9	174.6	0	0	0	112.9	A140 N146 C147 L150 Y173 L222 L225 F433 F667	A140-L144 WeakPolarHBondContact O-CG 3.36Å; A140-L144 PolarHBondContact O-N 3.17Å; L144-N146 VanDerWaalsContact C-N 3.27Å; L144-N146 PolarHBondContact O-N 3.27Å; L144-C147 WeakPolarHBondContact O-CB 3.38Å; L144-C147 PolarHBondContact O-N 3.45Å; L144-L150 HydrophobicContact CB-CD2 4.09Å; L144-L150 HydrophobicContact CD2-CD2 4.08Å; L144-Y173 WeakPolarHBondContact CB-OH 3.41Å; L144-L222 HydrophobicContact CD1-CD2 3.64Å; L144-L222 HydrophobicContact CD2-CD2 4.22Å; L144-L222 HydrophobicContact CG-CD2 3.76Å; L144-L225 HydrophobicContact CD1-CD2 3.82Å; L144-F433 HydrophobicContact CD2-CE1 4.4Å; L144-F433 HydrophobicContact CD2-CZ 3.83Å; L144-F667 HydrophobicContact CD2-CE1 3.85Å; L144-F667 HydrophobicContact CD2-CZ 4.29Å
145	S	96.2	Very high	94.8	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-63.9	-30.6	174.8	179.3	0	0	0	0	112.5	L141 Q142 C147 T151 W181	L141-S145 WeakPolarHBondContact O-CB 3.35Å; L141-S145 PolarHBondContact O-N 2.81Å; Q142-S145 PolarHBondContact O-N 2.87Å; S145-C147 VanDerWaalsContact C-N 3.35Å; S145-T151 PolarHBondContact O-OG1 2.65Å; S145-W181 VanDerWaalsContact O-CZ2 3.32Å; S145-W181 WeakPolarHBondContact O-CZ2 3.38Å; S145-W181 PolarHBondContact O-NE1 3.08Å; S145-W181 PolarHBondContact OG-NE1 3.4Å
146	N	95.1	Very high	94.5	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.027	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	12.9	176	-69.9	-86	0	0	0	113.4	Q142 A143 L144 P148 C634	Q142-N146 PolarHBondContact O-N 3.23Å; Q142-N146 PolarHBondContact O-ND2 3.23Å; A143-N146 PolarHBondContact O-N 2.84Å; L144-N146 VanDerWaalsContact C-N 3.27Å; L144-N146 PolarHBondContact O-N 3.27Å; N146-P148 VanDerWaalsContact O-CD 3.32Å; N146-P148 WeakPolarHBondContact O-CD 3.42Å; N146-C634 HydrophobicContact CB-CB 3.74Å
147	C	95.9	Very high	94.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.			trans	-90.2	104.2	167.6	-67.7	0	0	0	0	110.2	A143 L144 S145 L150 T151	A143-C147 PolarHBondContact O-N 2.77Å; A143-C147 PolarHBondContact O-SG 3.02Å; L144-C147 WeakPolarHBondContact O-CB 3.38Å; L144-C147 PolarHBondContact O-N 3.45Å; S145-C147 VanDerWaalsContact C-N 3.35Å; C147-L150 HydrophobicContact CB-CB 4.23Å; C147-L150 PolarHBondContact O-N 2.87Å; C147-T151 PolarHBondContact O-N 2.76Å
148	P	93.7	Very high	93.7	Very high	24 Å²	24	13 Å²	13	16%	0.156	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-42.5	-170.9	-21.2	32.6	0	0	0	114.7	N146 L150 T151 Q152 V637 T708	N146-P148 VanDerWaalsContact O-CD 3.32Å; N146-P148 WeakPolarHBondContact O-CD 3.42Å; P148-L150 PolarHBondContact O-N 2.85Å; P148-T151 PolarHBondContact O-N 3.47Å; P148-Q152 WeakPolarHBondContact O-CB 3.44Å; P148-Q152 VanDerWaalsContact O-CG 3.29Å; P148-Q152 WeakPolarHBondContact O-CG 3.45Å; P148-Q152 PolarHBondContact O-N 3.05Å; P148-V637 HydrophobicContact CG-CB 4.43Å; P148-V637 HydrophobicContact CG-CG1 3.74Å; P148-V637 HydrophobicContact CG-CG2 4.13Å; P148-T708 HydrophobicContact CB-CG2 4.07Å
149	P	94.8	Very high	92.9	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-53	-35.8	174.1	-31.6	38.4	0	0	0	114.5	F153 I432 E564 I565 F709	P149-F153 WeakPolarHBondContact O-CB 3.05Å; P149-I432 HydrophobicContact CB-CD1 3.67Å; P149-I432 HydrophobicContact CB-CG1 3.72Å; P149-I432 HydrophobicContact CB-CG2 4.21Å; P149-E564 HydrophobicContact CG-CG 4.27Å; P149-I565 HydrophobicContact CG-CD1 4.26Å; P149-I565 HydrophobicContact CG-CG1 4.34Å; P149-F709 HydrophobicContact CB-CD1 4.15Å; P149-F709 HydrophobicContact CB-CE1 3.67Å; P149-F709 HydrophobicContact CB-CZ 4.35Å; P149-F709 HydrophobicContact CG-CD1 4.25Å; P149-F709 HydrophobicContact CG-CE1 4.25Å
150	L	95.7	Very high	92.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-82.2	-49.9	-177.5	-171.8	66	0	0	0	110.7	L144 C147 P148 F153 F154 Y173 I429 I432 F433	L144-L150 HydrophobicContact CB-CD2 4.09Å; L144-L150 HydrophobicContact CD2-CD2 4.08Å; C147-L150 HydrophobicContact CB-CB 4.23Å; C147-L150 PolarHBondContact O-N 2.87Å; P148-L150 PolarHBondContact O-N 2.85Å; L150-F153 PolarHBondContact O-N 2.93Å; L150-F154 HydrophobicContact CD1-CD2 4.17Å; L150-F154 HydrophobicContact CD1-CE2 3.77Å; L150-F154 HydrophobicContact CG-CD2 4.25Å; L150-F154 HydrophobicContact CG-CE2 4.23Å; L150-F154 WeakPolarHBondContact O-CD2 3.38Å; L150-F154 PolarHBondContact O-N 2.89Å; L150-Y173 HydrophobicContact CD2-CE1 4.23Å; L150-Y173 WeakPolarHBondContact CD2-OH 3.46Å; L150-Y173 HydrophobicContact CG-CE1 4.34Å; L150-I429 HydrophobicContact CD1-CD1 3.73Å; L150-I432 HydrophobicContact CB-CD1 3.92Å; L150-I432 HydrophobicContact CD1-CD1 3.99Å; L150-F433 HydrophobicContact CD1-CE2 4.39Å; L150-F433 HydrophobicContact CD2-CE2 4.17Å; L150-F433 HydrophobicContact CD2-CZ 4.23Å
151	T	94.9	Very high	91.5	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-46.7	-177.7	-80.1	0	0	0	0	112	S145 C147 P148 F153 F154 L155 I177 W181	S145-T151 PolarHBondContact O-OG1 2.65Å; C147-T151 PolarHBondContact O-N 2.76Å; P148-T151 PolarHBondContact O-N 3.47Å; T151-F153 VanDerWaalsContact C-N 3.34Å; T151-F153 PolarHBondContact O-N 2.86Å; T151-F154 PolarHBondContact O-N 3.33Å; T151-L155 HydrophobicContact CG2-CD1 3.98Å; T151-L155 WeakPolarHBondContact O-CG 3.21Å; T151-L155 PolarHBondContact O-N 3.11Å; T151-I177 HydrophobicContact CG2-CG2 3.96Å; T151-W181 HydrophobicContact CG2-CD2 3.9Å; T151-W181 HydrophobicContact CG2-CG 4.04Å; T151-W181 HydrophobicContact CG2-CZ2 4.29Å
152	Q	92.2	Very high	90.8	Very high	33 Å²	33	28.3 Å²	28.3	15%	0.154	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-35.7	-179.4	-58.2	-66.2	13.8	0	0	111.4	P148 F154 L155 D156 N704 T708	P148-Q152 WeakPolarHBondContact O-CB 3.44Å; P148-Q152 VanDerWaalsContact O-CG 3.29Å; P148-Q152 WeakPolarHBondContact O-CG 3.45Å; P148-Q152 PolarHBondContact O-N 3.05Å; Q152-F154 VanDerWaalsContact C-N 3.35Å; Q152-F154 PolarHBondContact O-N 3.48Å; Q152-L155 PolarHBondContact O-N 2.91Å; Q152-D156 WeakPolarHBondContact O-CB 3.45Å; Q152-D156 PolarHBondContact O-N 2.85Å; Q152-N704 WeakPolarHBondContact CB-ND2 3.48Å; Q152-N704 PolarHBondContact O-ND2 2.87Å; Q152-N704 VanDerWaalsContact O-ND2 3.13Å; Q152-T708 HydrophobicContact CB-CG2 4.21Å; Q152-T708 HydrophobicContact CG-CG2 3.9Å
153	F	93.3	Very high	90	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.088	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-44	173.3	173.8	-92.1	0	0	0	112.2	P149 L150 T151 L155 C157 L160 V161 V428 N704	P149-F153 WeakPolarHBondContact O-CB 3.05Å; L150-F153 PolarHBondContact O-N 2.93Å; T151-F153 VanDerWaalsContact C-N 3.34Å; T151-F153 PolarHBondContact O-N 2.86Å; F153-L155 VanDerWaalsContact C-N 3.27Å; F153-L155 PolarHBondContact O-N 3.22Å; F153-C157 HydrophobicContact CD2-CB 3.69Å; F153-C157 HydrophobicContact CE2-CB 3.88Å; F153-C157 HydrophobicContact CG-CB 4.26Å; F153-C157 CarbonylContact O-C 3.41Å; F153-C157 WeakPolarHBondContact O-CA 3.47Å; F153-C157 VanDerWaalsContact O-CB 3.26Å; F153-C157 WeakPolarHBondContact O-CB 3.38Å; F153-C157 PolarHBondContact O-N 2.86Å; F153-C157 VanDerWaalsContact O-N 3.08Å; F153-L160 HydrophobicContact CE2-CB 4.36Å; F153-L160 HydrophobicContact CE2-CD1 4.22Å; F153-L160 HydrophobicContact CZ-CB 4.17Å; F153-V161 HydrophobicContact CD1-CG2 4.42Å; F153-V161 HydrophobicContact CE1-CG2 3.82Å; F153-V428 HydrophobicContact CB-CG2 4Å; F153-V428 HydrophobicContact CD1-CB 4.05Å; F153-V428 HydrophobicContact CD1-CG1 3.94Å; F153-V428 HydrophobicContact CD1-CG2 3.75Å; F153-V428 HydrophobicContact CD2-CB 4.29Å; F153-V428 HydrophobicContact CD2-CG2 3.92Å; F153-V428 HydrophobicContact CE1-CB 3.93Å; F153-V428 HydrophobicContact CE1-CG1 3.67Å; F153-V428 HydrophobicContact CE1-CG2 4.16Å; F153-V428 HydrophobicContact CE2-CB 4.17Å; F153-V428 HydrophobicContact CE2-CG2 4.31Å; F153-V428 HydrophobicContact CG-CB 4.23Å; F153-V428 HydrophobicContact CG-CG2 3.61Å; F153-V428 HydrophobicContact CZ-CB 4Å; F153-V428 HydrophobicContact CZ-CG1 4.12Å; F153-V428 HydrophobicContact CZ-CG2 4.43Å; F153-N704 PolarHBondContact N-ND2 2.92Å; F153-N704 PolarHBondContact N-OD1 3.34Å
154	F	93.8	Very high	89.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-25.2	-179.6	-86.7	-72.7	0	0	0	113.8	L150 T151 Q152 V161 C170 Y173 Q174 I177 L229 L233	L150-F154 HydrophobicContact CD1-CD2 4.17Å; L150-F154 HydrophobicContact CD1-CE2 3.77Å; L150-F154 HydrophobicContact CG-CD2 4.25Å; L150-F154 HydrophobicContact CG-CE2 4.23Å; L150-F154 WeakPolarHBondContact O-CD2 3.38Å; L150-F154 PolarHBondContact O-N 2.89Å; T151-F154 PolarHBondContact O-N 3.33Å; Q152-F154 VanDerWaalsContact C-N 3.35Å; Q152-F154 PolarHBondContact O-N 3.48Å; F154-V161 HydrophobicContact CD1-CG1 4.23Å; F154-V161 HydrophobicContact CD1-CG2 3.65Å; F154-V161 HydrophobicContact CE1-CG1 3.83Å; F154-V161 HydrophobicContact CE1-CG2 3.81Å; F154-C170 HydrophobicContact CE1-CB 4.47Å; F154-C170 WeakPolarHBondContact CE1-O 3.35Å; F154-Y173 HydrophobicContact CD1-CD1 4.28Å; F154-Y173 AromaticContact CD2-CD1 3.68Å; F154-Y173 HydrophobicContact CD2-CD1 3.68Å; F154-Y173 AromaticContact CD2-CE1 3.56Å; F154-Y173 HydrophobicContact CD2-CE1 3.56Å; F154-Y173 HydrophobicContact CE1-CD1 4.08Å; F154-Y173 AromaticContact CE2-CD1 3.46Å; F154-Y173 HydrophobicContact CE2-CD1 3.46Å; F154-Y173 VanDerWaalsContact CE2-CD1 3.46Å; F154-Y173 AromaticContact CE2-CE1 3.55Å; F154-Y173 HydrophobicContact CE2-CE1 3.55Å; F154-Y173 HydrophobicContact CG-CD1 4.1Å; F154-Y173 HydrophobicContact CG-CE1 4.29Å; F154-Y173 AromaticContact CZ-CD1 3.67Å; F154-Y173 HydrophobicContact CZ-CD1 3.67Å; F154-Y173 HydrophobicContact CZ-CE1 4.25Å; F154-Q174 HydrophobicContact CD1-CB 3.65Å; F154-Q174 HydrophobicContact CD1-CG 4.12Å; F154-Q174 HydrophobicContact CE1-CB 4.16Å; F154-Q174 PolarHBondContact O-NE2 2.74Å; F154-I177 HydrophobicContact CB-CB 4.47Å; F154-I177 HydrophobicContact CB-CG2 4.26Å; F154-L229 HydrophobicContact CZ-CD2 4.37Å; F154-L233 HydrophobicContact CE1-CD1 4.38Å; F154-L233 HydrophobicContact CZ-CD1 3.86Å
155	L	90.5	Very high	88.2	Confident	51 Å²	51	41.7 Å²	41.7	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-83.2	-67.6	174.2	-62.2	172	0	0	0	111.4	T151 Q152 F153 S158 I177 W181	T151-L155 HydrophobicContact CG2-CD1 3.98Å; T151-L155 WeakPolarHBondContact O-CG 3.21Å; T151-L155 PolarHBondContact O-N 3.11Å; Q152-L155 PolarHBondContact O-N 2.91Å; F153-L155 VanDerWaalsContact C-N 3.27Å; F153-L155 PolarHBondContact O-N 3.22Å; L155-S158 WeakPolarHBondContact O-CB 3.29Å; L155-S158 PolarHBondContact O-OG 2.95Å; L155-I177 HydrophobicContact CD2-CG2 4.12Å; L155-I177 HydrophobicContact CG-CG2 4.08Å; L155-W181 HydrophobicContact CD1-CB 4.14Å
156	D	86.8	Confident	87.3	Confident	58 Å²	58	51.1 Å²	51.1	31%	0.31	26%	0.264	S	S	.	.	H	α-helix	trans	-70.4	-41.2	-170	-57.8	-9.8	0	0	0	113.1	Q152 S158 N704	Q152-D156 WeakPolarHBondContact O-CB 3.45Å; Q152-D156 PolarHBondContact O-N 2.85Å; D156-S158 VanDerWaalsContact C-N 3.27Å; D156-S158 PolarHBondContact O-N 3.04Å; D156-N704 PolarHBondContact OD2-ND2 3.34Å
157	C	84.6	Confident	86.6	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.041	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	29.9	-175.3	-60.8	0	0	0	0	111.3	F153 G159 L160	F153-C157 HydrophobicContact CD2-CB 3.69Å; F153-C157 HydrophobicContact CE2-CB 3.88Å; F153-C157 HydrophobicContact CG-CB 4.26Å; F153-C157 CarbonylContact O-C 3.41Å; F153-C157 WeakPolarHBondContact O-CA 3.47Å; F153-C157 VanDerWaalsContact O-CB 3.26Å; F153-C157 WeakPolarHBondContact O-CB 3.38Å; F153-C157 PolarHBondContact O-N 2.86Å; F153-C157 VanDerWaalsContact O-N 3.08Å; C157-G159 PolarHBondContact O-N 3.39Å; C157-L160 HydrophobicContact CB-CB 4.5Å; C157-L160 HydrophobicContact CB-CD1 4.09Å; C157-L160 HydrophobicContact CB-CG 4.35Å; C157-L160 WeakPolarHBondContact O-CB 3.45Å; C157-L160 PolarHBondContact O-N 2.87Å
158	S	81.4	Confident	86.2	Confident	58 Å²	58	54.2 Å²	54.2	41%	0.406	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24	-170.8	53.9	0	0	0	0	115.5	L155 D156 Q174	L155-S158 WeakPolarHBondContact O-CB 3.29Å; L155-S158 PolarHBondContact O-OG 2.95Å; D156-S158 VanDerWaalsContact C-N 3.27Å; D156-S158 PolarHBondContact O-N 3.04Å; S158-Q174 PolarHBondContact O-NE2 3.25Å
159	G	79.4	Confident	86.1	Confident	55 Å²	55	53.1 Å²	53.1	57%	0.567	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-20	172.7	0	0	0	0	0	115.6	C157 R162	C157-G159 PolarHBondContact O-N 3.39Å; G159-R162 VanDerWaalsContact O-CD 3.26Å; G159-R162 WeakPolarHBondContact O-CD 3.36Å; G159-R162 WeakPolarHBondContact O-CG 3.31Å
160	L	81.3	Confident	86	Confident	84 Å²	84	53 Å²	53	44%	0.44	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-27.7	172.8	-60.6	-175.4	0	0	0	111.8	F153 C157 R162 E701	F153-L160 HydrophobicContact CE2-CB 4.36Å; F153-L160 HydrophobicContact CE2-CD1 4.22Å; F153-L160 HydrophobicContact CZ-CB 4.17Å; C157-L160 HydrophobicContact CB-CB 4.5Å; C157-L160 HydrophobicContact CB-CD1 4.09Å; C157-L160 HydrophobicContact CB-CG 4.35Å; C157-L160 WeakPolarHBondContact O-CB 3.45Å; C157-L160 PolarHBondContact O-N 2.87Å; L160-R162 PolarHBondContact O-N 3.01Å; L160-E701 HydrophobicContact CD1-CB 4.22Å
161	V	83.6	Confident	85.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.			trans	-63.2	94.4	172.1	-176.1	0	0	0	0	108.9	F153 F154 C170 K171 Q174 L233	F153-V161 HydrophobicContact CD1-CG2 4.42Å; F153-V161 HydrophobicContact CE1-CG2 3.82Å; F154-V161 HydrophobicContact CD1-CG1 4.23Å; F154-V161 HydrophobicContact CD1-CG2 3.65Å; F154-V161 HydrophobicContact CE1-CG1 3.83Å; F154-V161 HydrophobicContact CE1-CG2 3.81Å; V161-C170 HydrophobicContact CG1-CB 4.14Å; V161-K171 HydrophobicContact CG1-CD 4.31Å; V161-K171 WeakPolarHBondContact O-CE 3.36Å; V161-K171 PolarHBondContact O-NZ 3.29Å; V161-Q174 HydrophobicContact CG1-CB 4.39Å; V161-L233 HydrophobicContact CG1-CD2 4.26Å
162	R	81	Confident	85.8	Confident	189 Å²	189	58.5 Å²	58.5	71%	0.713	31%	0.306	S	S	*	.			trans	-141.5	136.3	-177.1	-64.4	179.2	68.3	156.2	0.3	109.4	G159 L160	G159-R162 VanDerWaalsContact O-CD 3.26Å; G159-R162 WeakPolarHBondContact O-CD 3.36Å; G159-R162 WeakPolarHBondContact O-CG 3.31Å; L160-R162 PolarHBondContact O-N 3.01Å
163	T	80.9	Confident	86	Confident	33 Å²	33	56.9 Å²	56.9	20%	0.202	30%	0.298	C	S	.	.			trans	-153.3	140.6	171.1	-157	0	0	0	0	110.5	A168 E232	T163-A168 HydrophobicContact CG2-CB 3.62Å; T163-E232 WeakPolarHBondContact CB-O 3.18Å; T163-E232 HydrophobicContact CG2-CB 4.37Å; T163-E232 HydrophobicContact CG2-CG 4.27Å; T163-E232 PolarHBondContact OG1-O 2.84Å; T163-E232 VanDerWaalsContact OG1-O 3.05Å
164	D	78.6	Confident	86	Confident	167 Å²	167	56.9 Å²	56.9	89%	0.893	30%	0.298	S	S	*	.			trans	-93.4	-7.5	172.5	-56.8	-58.5	0	0	0	111.8
165	K	77.6	Confident	86	Confident	85 Å²	85	61.9 Å²	61.9	37%	0.37	32%	0.32	S	S	.	.	S	Bend	trans	-69.9	151.5	175.9	-67	179.6	173.2	179.9	0	110.9	E231 E232	K165-E231 PolarHBondContact NZ-O 2.87Å; K165-E231 IonicContact NZ-OE2 3.86Å; K165-E231 PolarHBondContact NZ-OE2 3.4Å; K165-E232 HydrophobicContact CB-CG 4.43Å; K165-E232 HydrophobicContact CD-CG 4.3Å
166	K	77.6	Confident	86.2	Confident	198 Å²	198	59.7 Å²	59.7	86%	0.861	31%	0.309	S	S	*	.	S	Bend	trans	-134.1	137.3	176.8	-67.1	-175.8	-177.5	177.3	0	110.6
167	P	80.4	Confident	86.6	Confident	42 Å²	42	57 Å²	57	27%	0.273	29%	0.294	S	S	.	.	S	Bend	cis	-64.5	153.4	-6.8	32.3	-37.6	0	0	0	111.5	L169 L200 V201	P167-L169 HydrophobicContact CB-CD2 4.38Å; P167-L169 HydrophobicContact CG-CD2 4.2Å; P167-L169 PolarHBondContact O-N 2.64Å; P167-L200 HydrophobicContact CG-CB 4.26Å; P167-V201 HydrophobicContact CG-CG2 3.5Å; P167-V201 VanDerWaalsContact CG-CG2 3.5Å
168	A	88.3	Confident	87	Confident	28 Å²	28	59.1 Å²	59.1	23%	0.231	31%	0.31	C	S	.	.			trans	-94.4	91.8	177.8	0	0	0	0	0	109.2	T163 K171 S172 E232	T163-A168 HydrophobicContact CG2-CB 3.62Å; A168-K171 HydrophobicContact CB-CB 4.22Å; A168-K171 HydrophobicContact CB-CG 4.49Å; A168-S172 PolarHBondContact O-N 3.26Å; A168-S172 PolarHBondContact O-OG 3.44Å; A168-E232 WeakPolarHBondContact CA-OE2 3.38Å
169	L	91.3	Very high	87.5	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-36	176.6	-59.3	-155	0	0	0	111.7	P167 K171 S172 Y173 L194 G197 I198 V201 L225 Q228 E232	P167-L169 HydrophobicContact CB-CD2 4.38Å; P167-L169 HydrophobicContact CG-CD2 4.2Å; P167-L169 PolarHBondContact O-N 2.64Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 3.16Å; L169-S172 CarbonylContact O-C 3.56Å; L169-S172 WeakPolarHBondContact O-CA 3.31Å; L169-S172 WeakPolarHBondContact O-CB 3.41Å; L169-S172 PolarHBondContact O-N 3.5Å; L169-Y173 WeakPolarHBondContact O-CB 3.46Å; L169-Y173 PolarHBondContact O-N 2.93Å; L169-L194 HydrophobicContact CB-CD1 4.42Å; L169-G197 VanDerWaalsContact CD2-C 3.45Å; L169-I198 HydrophobicContact CD1-CG1 3.62Å; L169-V201 HydrophobicContact CD1-CG2 4.17Å; L169-V201 HydrophobicContact CD2-CG2 4.21Å; L169-V201 HydrophobicContact CG-CG2 4.19Å; L169-L225 HydrophobicContact CD1-CD1 4.48Å; L169-Q228 HydrophobicContact CB-CG 4.33Å; L169-Q228 HydrophobicContact CD1-CB 4.21Å; L169-Q228 HydrophobicContact CD1-CG 3.54Å; L169-Q228 HydrophobicContact CG-CG 3.85Å; L169-E232 WeakPolarHBondContact CB-OE1 3.38Å; L169-E232 VanDerWaalsContact N-CD 3.27Å; L169-E232 PolarHBondContact N-OE1 2.98Å; L169-E232 PolarHBondContact N-OE2 3.42Å
170	C	93	Very high	88.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-37	-179.5	74.1	0	0	0	0	112	F154 V161 Q174 L229 E232 L233	F154-C170 HydrophobicContact CE1-CB 4.47Å; F154-C170 WeakPolarHBondContact CE1-O 3.35Å; V161-C170 HydrophobicContact CG1-CB 4.14Å; C170-Q174 WeakPolarHBondContact O-CB 3.5Å; C170-Q174 PolarHBondContact O-N 3.4Å; C170-L229 HydrophobicContact CB-CD2 3.84Å; C170-E232 HydrophobicContact CB-CB 4.27Å; C170-E232 WeakPolarHBondContact CB-OE2 3.21Å; C170-E232 PolarHBondContact N-OE2 2.74Å; C170-E232 PolarHBondContact SG-OE2 3.41Å; C170-E232 VanDerWaalsContact SG-OE2 3.38Å; C170-L233 HydrophobicContact CB-CD1 4.05Å; C170-L233 HydrophobicContact CB-CD2 3.85Å; C170-L233 HydrophobicContact CB-CG 3.92Å
171	K	92.3	Very high	88.6	Confident	90 Å²	90	54.2 Å²	54.2	39%	0.391	26%	0.262	S	S	.	.	H	α-helix	trans	-73.8	-29.9	172.9	-74.6	-69.7	170.5	-162.2	0	113.3	V161 A168 L169 K175	V161-K171 HydrophobicContact CG1-CD 4.31Å; V161-K171 WeakPolarHBondContact O-CE 3.36Å; V161-K171 PolarHBondContact O-NZ 3.29Å; A168-K171 HydrophobicContact CB-CB 4.22Å; A168-K171 HydrophobicContact CB-CG 4.49Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 3.16Å; K171-K175 PolarHBondContact O-N 3.12Å; K171-K175 VanDerWaalsContact O-N 3.17Å
172	S	94	Very high	88.9	Confident	29 Å²	29	58.9 Å²	58.9	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-75.1	-36.7	177.2	-55.1	0	0	0	0	111.5	A168 L169 L176	A168-S172 PolarHBondContact O-N 3.26Å; A168-S172 PolarHBondContact O-OG 3.44Å; L169-S172 CarbonylContact O-C 3.56Å; L169-S172 WeakPolarHBondContact O-CA 3.31Å; L169-S172 WeakPolarHBondContact O-CB 3.41Å; L169-S172 PolarHBondContact O-N 3.5Å; S172-L176 PolarHBondContact O-N 3.19Å
173	Y	95.5	Very high	89.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.5	-45.7	172.7	-174.1	-95.4	0	0	0	111.4	L141 L144 L150 F154 L169 K175 L176 I177 L194 L229	L141-Y173 HydrophobicContact CD2-CD2 4.02Å; L141-Y173 HydrophobicContact CD2-CE2 3.8Å; L144-Y173 WeakPolarHBondContact CB-OH 3.41Å; L150-Y173 HydrophobicContact CD2-CE1 4.23Å; L150-Y173 WeakPolarHBondContact CD2-OH 3.46Å; L150-Y173 HydrophobicContact CG-CE1 4.34Å; F154-Y173 HydrophobicContact CD1-CD1 4.28Å; F154-Y173 AromaticContact CD2-CD1 3.68Å; F154-Y173 HydrophobicContact CD2-CD1 3.68Å; F154-Y173 AromaticContact CD2-CE1 3.56Å; F154-Y173 HydrophobicContact CD2-CE1 3.56Å; F154-Y173 HydrophobicContact CE1-CD1 4.08Å; F154-Y173 AromaticContact CE2-CD1 3.46Å; F154-Y173 HydrophobicContact CE2-CD1 3.46Å; F154-Y173 VanDerWaalsContact CE2-CD1 3.46Å; F154-Y173 AromaticContact CE2-CE1 3.55Å; F154-Y173 HydrophobicContact CE2-CE1 3.55Å; F154-Y173 HydrophobicContact CG-CD1 4.1Å; F154-Y173 HydrophobicContact CG-CE1 4.29Å; F154-Y173 AromaticContact CZ-CD1 3.67Å; F154-Y173 HydrophobicContact CZ-CD1 3.67Å; F154-Y173 HydrophobicContact CZ-CE1 4.25Å; L169-Y173 WeakPolarHBondContact O-CB 3.46Å; L169-Y173 PolarHBondContact O-N 2.93Å; Y173-K175 VanDerWaalsContact C-N 3.29Å; Y173-K175 PolarHBondContact O-N 2.9Å; Y173-L176 WeakPolarHBondContact O-CB 3.46Å; Y173-L176 PolarHBondContact O-N 3.49Å; Y173-I177 HydrophobicContact CD1-CG1 3.9Å; Y173-I177 HydrophobicContact CE1-CD1 3.97Å; Y173-I177 HydrophobicContact CE1-CG1 3.48Å; Y173-I177 VanDerWaalsContact CE1-CG1 3.48Å; Y173-I177 HydrophobicContact CE2-CD1 4.31Å; Y173-I177 HydrophobicContact CE2-CG1 4.47Å; Y173-I177 PolarHBondContact O-N 3.32Å; Y173-L194 HydrophobicContact CD2-CD2 3.93Å; Y173-L229 HydrophobicContact CG-CD1 4.48Å
174	Q	94.8	Very high	89.2	Confident	19 Å²	19	60.7 Å²	60.7	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-50.4	-50.9	173.3	-179.5	166.4	48.7	0	0	111.6	F154 S158 V161 C170 L176 I177 S178	F154-Q174 HydrophobicContact CD1-CB 3.65Å; F154-Q174 HydrophobicContact CD1-CG 4.12Å; F154-Q174 HydrophobicContact CE1-CB 4.16Å; F154-Q174 PolarHBondContact O-NE2 2.74Å; S158-Q174 PolarHBondContact O-NE2 3.25Å; V161-Q174 HydrophobicContact CG1-CB 4.39Å; C170-Q174 WeakPolarHBondContact O-CB 3.5Å; C170-Q174 PolarHBondContact O-N 3.4Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.11Å; Q174-I177 PolarHBondContact O-N 2.91Å; Q174-S178 PolarHBondContact O-N 2.64Å; Q174-S178 PolarHBondContact O-OG 3.19Å; Q174-S178 VanDerWaalsContact O-OG 3.05Å
175	K	93.6	Very high	89.4	Confident	105 Å²	105	55.9 Å²	55.9	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-57.8	-44.3	177.5	-179.4	-177.8	168.1	-173.7	0	111.8	K171 Y173 S178 E179	K171-K175 PolarHBondContact O-N 3.12Å; K171-K175 VanDerWaalsContact O-N 3.17Å; Y173-K175 VanDerWaalsContact C-N 3.29Å; Y173-K175 PolarHBondContact O-N 2.9Å; K175-S178 PolarHBondContact O-N 3.04Å; K175-E179 VanDerWaalsContact CE-CD 3.44Å; K175-E179 WeakPolarHBondContact CE-OE1 3.13Å; K175-E179 IonicContact NZ-OE1 3.03Å; K175-E179 PolarHBondContact NZ-OE1 2.76Å; K175-E179 WeakPolarHBondContact O-CG 3.35Å; K175-E179 PolarHBondContact O-N 2.61Å
176	L	94.7	Very high	89.8	Confident	5 Å²	5	55 Å²	55	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-45.9	179.1	178.9	64.3	0	0	0	111.7	M128 L141 S172 Y173 Q174 S178 E179 L180 V189 P191 L194	M128-L176 HydrophobicContact SD-CD1 4.24Å; M128-L176 HydrophobicContact SD-CD2 4.05Å; L141-L176 HydrophobicContact CD1-CD2 3.93Å; L141-L176 HydrophobicContact CD2-CD2 4.32Å; S172-L176 PolarHBondContact O-N 3.19Å; Y173-L176 WeakPolarHBondContact O-CB 3.46Å; Y173-L176 PolarHBondContact O-N 3.49Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.11Å; L176-S178 VanDerWaalsContact C-N 3.35Å; L176-S178 PolarHBondContact O-N 3.05Å; L176-E179 PolarHBondContact O-N 2.88Å; L176-E179 VanDerWaalsContact O-N 3.17Å; L176-L180 HydrophobicContact CD1-CD1 4.17Å; L176-L180 HydrophobicContact CD1-CG 4.2Å; L176-L180 HydrophobicContact CG-CD1 3.97Å; L176-L180 HydrophobicContact CG-CG 4.39Å; L176-L180 WeakPolarHBondContact O-CB 3.41Å; L176-L180 WeakPolarHBondContact O-CG 3.41Å; L176-L180 PolarHBondContact O-N 2.99Å; L176-V189 HydrophobicContact CD1-CG2 3.7Å; L176-P191 HydrophobicContact CD1-CB 4.28Å; L176-P191 HydrophobicContact CD2-CB 4.24Å; L176-L194 HydrophobicContact CD2-CD2 3.78Å
177	I	94.9	Very high	90.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-43.3	175.5	-63.7	-52	0	0	0	110.8	T151 F154 L155 Y173 Q174 E179 L180 W181	T151-I177 HydrophobicContact CG2-CG2 3.96Å; F154-I177 HydrophobicContact CB-CB 4.47Å; F154-I177 HydrophobicContact CB-CG2 4.26Å; L155-I177 HydrophobicContact CD2-CG2 4.12Å; L155-I177 HydrophobicContact CG-CG2 4.08Å; Y173-I177 HydrophobicContact CD1-CG1 3.9Å; Y173-I177 HydrophobicContact CE1-CD1 3.97Å; Y173-I177 HydrophobicContact CE1-CG1 3.48Å; Y173-I177 VanDerWaalsContact CE1-CG1 3.48Å; Y173-I177 HydrophobicContact CE2-CD1 4.31Å; Y173-I177 HydrophobicContact CE2-CG1 4.47Å; Y173-I177 PolarHBondContact O-N 3.32Å; Q174-I177 PolarHBondContact O-N 2.91Å; I177-E179 VanDerWaalsContact C-N 3.29Å; I177-E179 PolarHBondContact O-N 3.02Å; I177-L180 PolarHBondContact O-N 3.26Å; I177-W181 WeakPolarHBondContact O-CB 3.42Å; I177-W181 PolarHBondContact O-N 3.49Å
178	S	92.4	Very high	90.8	Very high	52 Å²	52	52.5 Å²	52.5	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-35.1	174.4	-57.3	0	0	0	0	113.2	Q174 K175 L176 H182	Q174-S178 PolarHBondContact O-N 2.64Å; Q174-S178 PolarHBondContact O-OG 3.19Å; Q174-S178 VanDerWaalsContact O-OG 3.05Å; K175-S178 PolarHBondContact O-N 3.04Å; L176-S178 VanDerWaalsContact C-N 3.35Å; L176-S178 PolarHBondContact O-N 3.05Å; S178-H182 WeakPolarHBondContact O-CB 3.45Å; S178-H182 PolarHBondContact O-N 3.29Å
179	E	92.6	Very high	91.1	Very high	72 Å²	72	51.7 Å²	51.7	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-75.8	-39	176.4	-72.3	177.7	164	0	0	112.5	K175 L176 I177 V189	K175-E179 VanDerWaalsContact CE-CD 3.44Å; K175-E179 WeakPolarHBondContact CE-OE1 3.13Å; K175-E179 IonicContact NZ-OE1 3.03Å; K175-E179 PolarHBondContact NZ-OE1 2.76Å; K175-E179 WeakPolarHBondContact O-CG 3.35Å; K175-E179 PolarHBondContact O-N 2.61Å; L176-E179 PolarHBondContact O-N 2.88Å; L176-E179 VanDerWaalsContact O-N 3.17Å; I177-E179 VanDerWaalsContact C-N 3.29Å; I177-E179 PolarHBondContact O-N 3.02Å; E179-V189 HydrophobicContact CB-CG1 4.12Å
180	L	92.8	Very high	91.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.7	-35.3	178.9	-71.2	174.9	0	0	0	113.4	G124 T126 M128 L176 I177 R185 V189	G124-L180 WeakPolarHBondContact CA-O 3.38Å; G124-L180 PolarHBondContact N-O 3.11Å; T126-L180 HydrophobicContact CG2-CD2 3.7Å; M128-L180 HydrophobicContact CE-CD1 4.36Å; L176-L180 HydrophobicContact CD1-CD1 4.17Å; L176-L180 HydrophobicContact CD1-CG 4.2Å; L176-L180 HydrophobicContact CG-CD1 3.97Å; L176-L180 HydrophobicContact CG-CG 4.39Å; L176-L180 WeakPolarHBondContact O-CB 3.41Å; L176-L180 WeakPolarHBondContact O-CG 3.41Å; L176-L180 PolarHBondContact O-N 2.99Å; I177-L180 PolarHBondContact O-N 3.26Å; L180-R185 WeakPolarHBondContact O-CD 3.34Å; L180-V189 HydrophobicContact CD2-CG1 4.48Å; L180-V189 HydrophobicContact CD2-CG2 3.6Å; L180-V189 HydrophobicContact CG-CG2 4.29Å
181	W	91.8	Very high	91.1	Very high	22 Å²	22	54.8 Å²	54.8	8%	0.083	27%	0.272	C	S	.	.	S	Bend	trans	-99.9	4.6	-176	-70.6	82.3	0	0	0	114.2	R123 G124 S145 T151 L155 I177 I638	R123-W181 HydrophobicContact CB-CE3 3.6Å; R123-W181 HydrophobicContact CB-CZ3 4Å; R123-W181 WeakPolarHBondContact O-CZ3 3.48Å; G124-W181 VanDerWaalsContact CA-CE2 3.5Å; S145-W181 VanDerWaalsContact O-CZ2 3.32Å; S145-W181 WeakPolarHBondContact O-CZ2 3.38Å; S145-W181 PolarHBondContact O-NE1 3.08Å; S145-W181 PolarHBondContact OG-NE1 3.4Å; T151-W181 HydrophobicContact CG2-CD2 3.9Å; T151-W181 HydrophobicContact CG2-CG 4.04Å; T151-W181 HydrophobicContact CG2-CZ2 4.29Å; L155-W181 HydrophobicContact CD1-CB 4.14Å; I177-W181 WeakPolarHBondContact O-CB 3.42Å; I177-W181 PolarHBondContact O-N 3.49Å; W181-I638 HydrophobicContact CZ3-CD1 4.08Å
182	H	89.7	Confident	90.9	Very high	98 Å²	98	54.5 Å²	54.5	45%	0.454	28%	0.278	S	S	.	.			trans	-62.8	145.2	-179.1	-165.2	-131.6	0	0	0	113.5	S178 K184 R185	S178-H182 WeakPolarHBondContact O-CB 3.45Å; S178-H182 PolarHBondContact O-N 3.29Å; H182-K184 VanDerWaalsContact C-N 3.28Å; H182-K184 PolarHBondContact ND1-N 2.92Å; H182-K184 PolarHBondContact ND1-O 3.46Å; H182-K184 PolarHBondContact O-N 3.43Å; H182-R185 HydrophobicContact CB-CB 4.14Å; H182-R185 WeakPolarHBondContact O-CB 3.49Å; H182-R185 PolarHBondContact O-N 3.27Å
183	K	83.6	Confident	90.6	Very high	79 Å²	79	56.3 Å²	56.3	34%	0.343	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.4	173.5	-56.9	-171.5	-168.4	-176.4	0	111.4	E114	E114-K183 IonicContact OE1-NZ 2.72Å; E114-K183 PolarHBondContact OE1-NZ 3.36Å; E114-K183 IonicContact OE2-NZ 3.49Å; E114-K183 PolarHBondContact OE2-NZ 3.27Å
184	K	84.1	Confident	90.2	Very high	181 Å²	181	56.4 Å²	56.4	79%	0.787	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	62.4	175.3	-59.9	176.3	-176.5	173.2	0	110.7	H182	H182-K184 VanDerWaalsContact C-N 3.28Å; H182-K184 PolarHBondContact ND1-N 2.92Å; H182-K184 PolarHBondContact ND1-O 3.46Å; H182-K184 PolarHBondContact O-N 3.43Å
185	R	82.9	Confident	89.8	Confident	66 Å²	66	56.2 Å²	56.2	25%	0.249	29%	0.292	C	S	.	.			trans	-85.3	152	179.3	64.7	-170.8	-164.3	-95.1	3.5	112.3	P122 L125 T126 L180 H182	P122-R185 VanDerWaalsContact O-CZ 3.27Å; P122-R185 PolarHBondContact O-NH1 3.03Å; P122-R185 PolarHBondContact O-NH2 3.21Å; L125-R185 PolarHBondContact O-NE 3.47Å; L125-R185 PolarHBondContact O-NH2 2.85Å; T126-R185 WeakPolarHBondContact OG1-CD 3.42Å; T126-R185 WeakPolarHBondContact OG1-CG 3.39Å; T126-R185 PolarHBondContact OG1-NE 3.37Å; T126-R185 VanDerWaalsContact OG1-NE 3.16Å; L180-R185 WeakPolarHBondContact O-CD 3.34Å; H182-R185 HydrophobicContact CB-CB 4.14Å; H182-R185 WeakPolarHBondContact O-CB 3.49Å; H182-R185 PolarHBondContact O-N 3.27Å
186	P	86.1	Confident	89.5	Confident	66 Å²	66	56.9 Å²	56.9	43%	0.429	30%	0.296	S	S	.	.			trans	-73.5	167.5	169.4	33.9	-36.6	0	0	0	111.3	T126 Y188 V189	T126-P186 VanDerWaalsContact CG2-O 3.23Å; T126-P186 WeakPolarHBondContact CG2-O 3.16Å; T126-P186 PolarHBondContact OG1-O 2.82Å; P186-Y188 VanDerWaalsContact C-N 3.3Å; P186-Y188 WeakPolarHBondContact CB-O 3.49Å; P186-Y188 VanDerWaalsContact CG-O 3.25Å; P186-Y188 WeakPolarHBondContact CG-O 3.39Å; P186-Y188 PolarHBondContact O-N 3.45Å; P186-V189 HydrophobicContact CG-CG1 3.67Å
187	S	85.6	Confident	89.1	Confident	95 Å²	95	56.8 Å²	56.8	66%	0.664	30%	0.297	S	S	*	.	S	Bend	trans	-65.2	-32.9	172.5	50.5	0	0	0	0	112.8	G127	G127-S187 PolarHBondContact N-O 3.42Å
188	Y	93	Very high	88.7	Confident	93 Å²	93	57 Å²	57	37%	0.365	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.4	170.3	69.9	-91.5	0	0	0	112	G127 K129 P186 V190 Q648	G127-Y188 CarbonylContact O-C 3.49Å; G127-Y188 WeakPolarHBondContact O-CA 3.45Å; K129-Y188 HydrophobicContact CB-CD2 3.87Å; K129-Y188 HydrophobicContact CB-CE2 4.18Å; K129-Y188 HydrophobicContact CD-CD2 4.35Å; K129-Y188 HydrophobicContact CD-CE2 3.82Å; P186-Y188 VanDerWaalsContact C-N 3.3Å; P186-Y188 WeakPolarHBondContact CB-O 3.49Å; P186-Y188 VanDerWaalsContact CG-O 3.25Å; P186-Y188 WeakPolarHBondContact CG-O 3.39Å; P186-Y188 PolarHBondContact O-N 3.45Å; Y188-V190 HydrophobicContact CD2-CG2 4.4Å; Y188-V190 HydrophobicContact CE2-CG2 4.22Å; Y188-Q648 HydrophobicContact CG-CB 4.25Å
189	V	94.6	Very high	88.4	Confident	10 Å²	10	58.7 Å²	58.7	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	172.5	168.8	-61.1	0	0	0	0	110.9	T126 G127 M128 K129 L176 E179 L180 P186	T126-V189 HydrophobicContact CG2-CG1 3.94Å; G127-V189 PolarHBondContact O-N 3.28Å; M128-V189 WeakPolarHBondContact CA-O 3.33Å; M128-V189 HydrophobicContact CG-CG2 3.66Å; K129-V189 PolarHBondContact N-O 3.47Å; L176-V189 HydrophobicContact CD1-CG2 3.7Å; E179-V189 HydrophobicContact CB-CG1 4.12Å; L180-V189 HydrophobicContact CD2-CG1 4.48Å; L180-V189 HydrophobicContact CD2-CG2 3.6Å; L180-V189 HydrophobicContact CG-CG2 4.29Å; P186-V189 HydrophobicContact CG-CG1 3.67Å
190	V	93.4	Very high	88	Confident	62 Å²	62	59.1 Å²	59.1	38%	0.376	30%	0.303	S	S	.	.			trans	-126.9	110.4	175.6	-167	0	0	0	0	108.4	K129 I131 Y188 T192	K129-V190 HydrophobicContact CB-CG2 4.05Å; K129-V190 HydrophobicContact CD-CG2 4.37Å; I131-V190 HydrophobicContact CD1-CG1 3.69Å; I131-V190 HydrophobicContact CG1-CG1 4.17Å; Y188-V190 HydrophobicContact CD2-CG2 4.4Å; Y188-V190 HydrophobicContact CE2-CG2 4.22Å; V190-T192 WeakPolarHBondContact CG1-OG1 3.47Å; V190-T192 PolarHBondContact O-N 3.04Å
191	P	90.7	Very high	87.5	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.032	32%	0.317	C	S	.	.			trans	-76.8	44.9	-171.6	31	-36.1	0	0	0	113.6	M128 M137 L141 L176 S193 L194 S195	M128-P191 HydrophobicContact CG-CG 4.37Å; M128-P191 HydrophobicContact SD-CB 4.33Å; M128-P191 HydrophobicContact SD-CG 4.17Å; M137-P191 HydrophobicContact CE-CG 4.26Å; L141-P191 HydrophobicContact CD1-CB 4.43Å; L176-P191 HydrophobicContact CD1-CB 4.28Å; L176-P191 HydrophobicContact CD2-CB 4.24Å; P191-S193 PolarHBondContact O-N 3.36Å; P191-L194 PolarHBondContact O-N 2.87Å; P191-S195 VanDerWaalsContact O-CB 3.25Å; P191-S195 WeakPolarHBondContact O-CB 3.29Å; P191-S195 PolarHBondContact O-N 2.89Å; P191-S195 PolarHBondContact O-OG 2.97Å
192	T	87.3	Confident	86.9	Confident	85 Å²	85	61.9 Å²	61.9	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-59.6	-44.4	-172.8	-50.8	0	0	0	0	113.1	V190 S195 H196	V190-T192 WeakPolarHBondContact CG1-OG1 3.47Å; V190-T192 PolarHBondContact O-N 3.04Å; T192-S195 WeakPolarHBondContact CA-OG 3.3Å; T192-S195 PolarHBondContact O-OG 3.01Å; T192-H196 WeakPolarHBondContact O-CB 3.3Å; T192-H196 PolarHBondContact O-N 3.39Å
193	S	87.4	Confident	86.3	Confident	67 Å²	67	61 Å²	61	47%	0.469	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-45.4	-179.1	-58.6	0	0	0	0	112.3	P191 G197	P191-S193 PolarHBondContact O-N 3.36Å; S193-G197 PolarHBondContact O-N 3.08Å
194	L	88.1	Confident	85.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-70.7	-46.1	-179	-177.1	61.2	0	0	0	111.4	L141 L169 Y173 L176 P191 H196 G197 I198 L225	L141-L194 HydrophobicContact CD1-CD2 3.92Å; L141-L194 HydrophobicContact CD2-CD2 3.6Å; L141-L194 HydrophobicContact CG-CD2 4.45Å; L169-L194 HydrophobicContact CB-CD1 4.42Å; Y173-L194 HydrophobicContact CD2-CD2 3.93Å; L176-L194 HydrophobicContact CD2-CD2 3.78Å; P191-L194 PolarHBondContact O-N 2.87Å; L194-H196 PolarHBondContact O-N 2.85Å; L194-G197 WeakPolarHBondContact O-CA 3.26Å; L194-G197 PolarHBondContact O-N 2.85Å; L194-G197 VanDerWaalsContact O-N 3.13Å; L194-I198 HydrophobicContact CD1-CD1 4.01Å; L194-I198 HydrophobicContact CD1-CG1 4.27Å; L194-I198 HydrophobicContact CG-CD1 3.9Å; L194-I198 WeakPolarHBondContact O-CG1 3.42Å; L194-I198 PolarHBondContact O-N 3.22Å; L194-L225 HydrophobicContact CD1-CD1 4.45Å
195	S	87.3	Confident	85.1	Confident	15 Å²	15	52.9 Å²	52.9	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-38.8	178.2	61.2	0	0	0	0	113.1	M137 P191 T192 K199	M137-S195 VanDerWaalsContact SD-CB 3.55Å; P191-S195 VanDerWaalsContact O-CB 3.25Å; P191-S195 WeakPolarHBondContact O-CB 3.29Å; P191-S195 PolarHBondContact O-N 2.89Å; P191-S195 PolarHBondContact O-OG 2.97Å; T192-S195 WeakPolarHBondContact CA-OG 3.3Å; T192-S195 PolarHBondContact O-OG 3.01Å; S195-K199 WeakPolarHBondContact O-CB 3.34Å; S195-K199 VanDerWaalsContact O-CG 3.24Å; S195-K199 WeakPolarHBondContact O-CG 3.4Å; S195-K199 PolarHBondContact O-N 2.83Å; S195-K199 VanDerWaalsContact O-N 3.15Å
196	H	86.8	Confident	84.5	Confident	118 Å²	118	56 Å²	56	55%	0.546	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-42.9	170.9	-179.5	-115.4	0	0	0	111.7	T192 L194 K199 L200	T192-H196 WeakPolarHBondContact O-CB 3.3Å; T192-H196 PolarHBondContact O-N 3.39Å; L194-H196 PolarHBondContact O-N 2.85Å; H196-K199 PolarHBondContact O-N 3.41Å; H196-L200 WeakPolarHBondContact O-CG 3.49Å; H196-L200 PolarHBondContact O-N 3.48Å
197	G	86.6	Confident	83.1	Confident	4 Å²	4	55 Å²	55	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-58.1	-49.9	175.9	0	0	0	0	0	113.1	L169 S193 L194 K199 L200 V201	L169-G197 VanDerWaalsContact CD2-C 3.45Å; S193-G197 PolarHBondContact O-N 3.08Å; L194-G197 WeakPolarHBondContact O-CA 3.26Å; L194-G197 PolarHBondContact O-N 2.85Å; L194-G197 VanDerWaalsContact O-N 3.13Å; G197-K199 VanDerWaalsContact C-N 3.34Å; G197-K199 PolarHBondContact O-N 2.91Å; G197-L200 WeakPolarHBondContact O-CA 3.49Å; G197-L200 WeakPolarHBondContact O-CB 3.48Å; G197-L200 PolarHBondContact O-N 2.89Å; G197-V201 WeakPolarHBondContact O-CG2 3.38Å; G197-V201 PolarHBondContact O-N 3.11Å
198	I	86.6	Confident	81.2	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-42.1	179.5	-68.1	169.7	0	0	0	110.8	L169 L194 L200 V201 N202 F205 F221 L225	L169-I198 HydrophobicContact CD1-CG1 3.62Å; L194-I198 HydrophobicContact CD1-CD1 4.01Å; L194-I198 HydrophobicContact CD1-CG1 4.27Å; L194-I198 HydrophobicContact CG-CD1 3.9Å; L194-I198 WeakPolarHBondContact O-CG1 3.42Å; L194-I198 PolarHBondContact O-N 3.22Å; I198-L200 VanDerWaalsContact C-N 3.27Å; I198-L200 PolarHBondContact O-N 2.86Å; I198-V201 PolarHBondContact O-N 3.44Å; I198-N202 PolarHBondContact O-N 3.29Å; I198-F205 HydrophobicContact CG2-CD2 3.58Å; I198-F205 HydrophobicContact CG2-CE2 4.13Å; I198-F205 HydrophobicContact CG2-CG 4.37Å; I198-F221 HydrophobicContact CD1-CE2 3.45Å; I198-F221 VanDerWaalsContact CD1-CE2 3.45Å; I198-F221 HydrophobicContact CD1-CZ 3.55Å; I198-F221 HydrophobicContact CG2-CD2 4.43Å; I198-F221 HydrophobicContact CG2-CE2 4.06Å; I198-L225 HydrophobicContact CD1-CD1 4.05Å
199	K	84.6	Confident	78.8	Confident	88 Å²	88	61.4 Å²	61.4	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-28.9	173.3	-71.4	-178.2	-178.5	-166.2	0	113.2	S195 H196 G197 F205 R206	S195-K199 WeakPolarHBondContact O-CB 3.34Å; S195-K199 VanDerWaalsContact O-CG 3.24Å; S195-K199 WeakPolarHBondContact O-CG 3.4Å; S195-K199 PolarHBondContact O-N 2.83Å; S195-K199 VanDerWaalsContact O-N 3.15Å; H196-K199 PolarHBondContact O-N 3.41Å; G197-K199 VanDerWaalsContact C-N 3.34Å; G197-K199 PolarHBondContact O-N 2.91Å; K199-F205 WeakPolarHBondContact CE-O 3.4Å; K199-F205 HydrophobicContact CG-CB 4.26Å; K199-F205 WeakPolarHBondContact CG-O 3.33Å; K199-R206 HydrophobicContact CB-CG 4.22Å; K199-R206 WeakPolarHBondContact O-CG 3.36Å; K199-R206 PolarHBondContact O-NE 3.12Å
200	L	84.6	Confident	75.9	Confident	81 Å²	81	69.8 Å²	69.8	42%	0.424	37%	0.373	S	S	.	.	H	α-helix	trans	-71.9	-46.9	171.7	-72.8	174.9	0	0	0	111.4	P167 H196 G197 I198 R206	P167-L200 HydrophobicContact CG-CB 4.26Å; H196-L200 WeakPolarHBondContact O-CG 3.49Å; H196-L200 PolarHBondContact O-N 3.48Å; G197-L200 WeakPolarHBondContact O-CA 3.49Å; G197-L200 WeakPolarHBondContact O-CB 3.48Å; G197-L200 PolarHBondContact O-N 2.89Å; I198-L200 VanDerWaalsContact C-N 3.27Å; I198-L200 PolarHBondContact O-N 2.86Å; L200-R206 PolarHBondContact O-NH2 3Å
201	V	82.6	Confident	73.2	Confident	46 Å²	46	75.6 Å²	75.6	28%	0.279	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-55.7	-178.2	176	0	0	0	0	111.9	P167 L169 G197 I198 Q228	P167-V201 HydrophobicContact CG-CG2 3.5Å; P167-V201 VanDerWaalsContact CG-CG2 3.5Å; L169-V201 HydrophobicContact CD1-CG2 4.17Å; L169-V201 HydrophobicContact CD2-CG2 4.21Å; L169-V201 HydrophobicContact CG-CG2 4.19Å; G197-V201 WeakPolarHBondContact O-CG2 3.38Å; G197-V201 PolarHBondContact O-N 3.11Å; I198-V201 PolarHBondContact O-N 3.44Å; V201-Q228 HydrophobicContact CG1-CG 4.19Å; V201-Q228 HydrophobicContact CG2-CG 4.41Å
202	N	79.9	Confident	70.6	Confident	34 Å²	34	79.5 Å²	79.5	18%	0.182	42%	0.42	C	S	.	.			trans	-108.2	112	-178.1	-176.1	-11.5	0	0	0	110.5	I198 M204 F205 C224	I198-N202 PolarHBondContact O-N 3.29Å; N202-M204 PolarHBondContact O-N 2.72Å; N202-M204 VanDerWaalsContact O-N 3.17Å; N202-M204 WeakPolarHBondContact OD1-CB 3.15Å; N202-M204 PolarHBondContact OD1-N 2.78Å; N202-F205 HydrophobicContact CB-CD2 3.88Å; N202-F205 HydrophobicContact CB-CE2 4.08Å; N202-F205 WeakPolarHBondContact ND2-CE2 3.28Å; N202-F205 PolarHBondContact O-N 2.78Å; N202-C224 PolarHBondContact ND2-SG 3Å; N202-C224 VanDerWaalsContact ND2-SG 3.42Å
203	P	75.5	Confident	68.5	Low	79 Å²	79	79.7 Å²	79.7	51%	0.513	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-59.8	-22.7	179.4	-25.9	35.7	0	0	0	115.6	R206	P203-R206 VanDerWaalsContact O-CB 3.29Å; P203-R206 WeakPolarHBondContact O-CB 3.24Å; P203-R206 WeakPolarHBondContact O-CG 3.07Å; P203-R206 PolarHBondContact O-N 2.64Å
204	M	71.9	Confident	66.8	Low	85 Å²	85	80.4 Å²	80.4	42%	0.419	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-56.8	-51.6	180	-173.5	-173.9	-72	0	0	111.6	N202 R206 E220	N202-M204 PolarHBondContact O-N 2.72Å; N202-M204 VanDerWaalsContact O-N 3.17Å; N202-M204 WeakPolarHBondContact OD1-CB 3.15Å; N202-M204 PolarHBondContact OD1-N 2.78Å; M204-R206 PolarHBondContact O-N 2.75Å; M204-R206 VanDerWaalsContact O-N 3.1Å; M204-E220 WeakPolarHBondContact CE-OE1 3.1Å; M204-E220 HydrophobicContact SD-CG 4.32Å; M204-E220 VanDerWaalsContact SD-OE2 3.33Å
205	F	72.6	Confident	65.3	Low	5 Å²	5	83 Å²	83	2%	0.022	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-71.1	-6	-178	-54.6	-55.1	0	0	0	114.4	Y136 I198 K199 N202 G207 Q216 E220 F221 C224	Y136-F205 HydrophobicContact CE2-CD1 4.12Å; Y136-F205 HydrophobicContact CE2-CE1 4.26Å; I198-F205 HydrophobicContact CG2-CD2 3.58Å; I198-F205 HydrophobicContact CG2-CE2 4.13Å; I198-F205 HydrophobicContact CG2-CG 4.37Å; K199-F205 WeakPolarHBondContact CE-O 3.4Å; K199-F205 HydrophobicContact CG-CB 4.26Å; K199-F205 WeakPolarHBondContact CG-O 3.33Å; N202-F205 HydrophobicContact CB-CD2 3.88Å; N202-F205 HydrophobicContact CB-CE2 4.08Å; N202-F205 WeakPolarHBondContact ND2-CE2 3.28Å; N202-F205 PolarHBondContact O-N 2.78Å; F205-G207 PolarHBondContact O-N 3.03Å; F205-Q216 HydrophobicContact CD1-CB 4.07Å; F205-Q216 HydrophobicContact CD1-CG 3.99Å; F205-Q216 HydrophobicContact CE1-CB 4.2Å; F205-E220 HydrophobicContact CZ-CG 4.41Å; F205-F221 HydrophobicContact CE1-CB 4.32Å; F205-F221 HydrophobicContact CZ-CB 4.16Å; F205-F221 HydrophobicContact CZ-CD2 4.45Å; F205-C224 HydrophobicContact CE2-CB 3.83Å; F205-C224 HydrophobicContact CZ-CB 4.22Å
206	R	69.9	Low	64.8	Low	130 Å²	130	83.8 Å²	83.8	49%	0.491	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-59.2	-37.3	177.1	-67.5	178.1	-176.1	176.6	5.1	111.1	K199 L200 P203 M204	K199-R206 HydrophobicContact CB-CG 4.22Å; K199-R206 WeakPolarHBondContact O-CG 3.36Å; K199-R206 PolarHBondContact O-NE 3.12Å; L200-R206 PolarHBondContact O-NH2 3Å; P203-R206 VanDerWaalsContact O-CB 3.29Å; P203-R206 WeakPolarHBondContact O-CB 3.24Å; P203-R206 WeakPolarHBondContact O-CG 3.07Å; P203-R206 PolarHBondContact O-N 2.64Å; M204-R206 PolarHBondContact O-N 2.75Å; M204-R206 VanDerWaalsContact O-N 3.1Å
207	G	56.4	Low	64.8	Low	45 Å²	45	80.1 Å²	80.1	46%	0.464	43%	0.425	S	S	.	.			trans	70.3	119.4	-166.9	0	0	0	0	0	110	F205 A209	F205-G207 PolarHBondContact O-N 3.03Å; G207-A209 PolarHBondContact O-N 3.12Å; G207-A209 VanDerWaalsContact O-N 3.14Å
208	Y	45.2	Very low	65	Low	231 Å²	231	80 Å²	80	91%	0.906	42%	0.423	S	S	*	.			trans	-65	119.1	169.8	-100.4	-91.4	0	0	0	108.3
209	A	42	Very low	65.2	Low	93 Å²	93	81.1 Å²	81.1	77%	0.769	43%	0.428	S	S	*	.	S	Bend	trans	-59.4	141.6	176.9	0	0	0	0	0	109.6	G207	G207-A209 PolarHBondContact O-N 3.12Å; G207-A209 VanDerWaalsContact O-N 3.14Å
210	Q	35.3	Very low	65.5	Low	185 Å²	185	80.8 Å²	80.8	86%	0.864	43%	0.428	S	S	*	.	S	Bend	trans	81.3	101	178.8	-145.4	153.5	9.7	0	0	115.5
211	Q	35.4	Very low	65.9	Low	185 Å²	185	77 Å²	77	86%	0.864	41%	0.408	S	S	*	.	S	Bend	trans	96.1	3.1	144.5	-147.6	164.8	-6.7	0	0	121
212	V	37.3	Very low	66.5	Low	87 Å²	87	75 Å²	75	53%	0.527	40%	0.396	S	S	.	.			trans	-137.3	123.3	153.8	-166.5	0	0	0	0	111	T214	V212-T214 VanDerWaalsContact C-N 3.31Å; V212-T214 HydrophobicContact CG1-CG2 3.86Å; V212-T214 PolarHBondContact O-N 3.41Å
213	S	43	Very low	67.1	Low	89 Å²	89	77.9 Å²	77.9	62%	0.622	41%	0.405	S	S	*	.			trans	-86.3	65	174.2	52.2	0	0	0	0	111.4	Q215	S213-Q215 PolarHBondContact O-N 2.92Å; S213-Q215 VanDerWaalsContact O-N 3.08Å
214	T	50.3	Low	67.9	Low	82 Å²	82	75.3 Å²	75.3	50%	0.503	39%	0.388	S	S	.	.			trans	-68.7	104.8	172.2	42.3	0	0	0	0	110.1	V212 Q216	V212-T214 VanDerWaalsContact C-N 3.31Å; V212-T214 HydrophobicContact CG1-CG2 3.86Å; V212-T214 PolarHBondContact O-N 3.41Å; T214-Q216 PolarHBondContact O-NE2 3.3Å
215	Q	57.8	Low	69	Low	55 Å²	55	71.3 Å²	71.3	26%	0.257	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-57.3	148.7	161.5	-66.6	178.8	-4.1	0	0	109.2	N133 S213 G628	N133-Q215 HydrophobicContact CB-CG 4.35Å; S213-Q215 PolarHBondContact O-N 2.92Å; S213-Q215 VanDerWaalsContact O-N 3.08Å; Q215-G628 PolarHBondContact NE2-O 2.84Å; Q215-G628 VanDerWaalsContact OE1-C 3.23Å; Q215-G628 PolarHBondContact OE1-O 2.79Å
216	Q	75.8	Confident	70	Confident	33 Å²	33	71.3 Å²	71.3	15%	0.154	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-103.1	159.4	-172.8	-55.6	-71	-78.8	0	0	109.5	Y136 F205 T214	Y136-Q216 WeakPolarHBondContact CB-O 3.43Å; Y136-Q216 HydrophobicContact CD1-CB 4.08Å; Y136-Q216 HydrophobicContact CD2-CB 3.93Å; Y136-Q216 HydrophobicContact CE1-CB 3.83Å; Y136-Q216 HydrophobicContact CE1-CG 3.99Å; Y136-Q216 HydrophobicContact CE2-CB 3.69Å; Y136-Q216 HydrophobicContact CE2-CG 4.36Å; Y136-Q216 HydrophobicContact CG-CB 4.14Å; F205-Q216 HydrophobicContact CD1-CB 4.07Å; F205-Q216 HydrophobicContact CD1-CG 3.99Å; F205-Q216 HydrophobicContact CE1-CB 4.2Å; T214-Q216 PolarHBondContact O-NE2 3.3Å
217	D	86.7	Confident	71.1	Confident	41 Å²	41	68.7 Å²	68.7	22%	0.219	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-78.5	135.4	-179.2	-166.3	-76.8	0	0	0	111.9	Q219 E220 F221 Y664	D217-Q219 WeakPolarHBondContact OD1-CA 3.45Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.31Å; D217-Q219 PolarHBondContact OD1-N 3.09Å; D217-E220 HydrophobicContact CB-CB 4.08Å; D217-E220 PolarHBondContact OD1-N 2.94Å; D217-F221 WeakPolarHBondContact O-CB 3.42Å; D217-F221 PolarHBondContact O-N 3.26Å; D217-F221 VanDerWaalsContact O-N 3.08Å; D217-Y664 PolarHBondContact OD1-OH 3.3Å; D217-Y664 VanDerWaalsContact OD1-OH 3.05Å; D217-Y664 PolarHBondContact OD2-OH 3.17Å
218	T	91.3	Very high	72.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-73.3	-32.7	-177.8	-60	0	0	0	0	112.7	Y136 A140 L222 I617 Y630	Y136-T218 VanDerWaalsContact CA-OG1 3.3Å; Y136-T218 WeakPolarHBondContact CA-OG1 3.44Å; Y136-T218 VanDerWaalsContact CB-OG1 3.29Å; Y136-T218 WeakPolarHBondContact CB-OG1 3.32Å; Y136-T218 WeakPolarHBondContact O-CG2 3.49Å; A140-T218 HydrophobicContact CB-CG2 3.86Å; T218-L222 HydrophobicContact CG2-CD1 4.4Å; T218-L222 WeakPolarHBondContact O-CB 3.38Å; T218-L222 VanDerWaalsContact O-CG 3.3Å; T218-L222 WeakPolarHBondContact O-CG 3.36Å; T218-L222 PolarHBondContact O-N 2.91Å; T218-I617 HydrophobicContact CG2-CD1 3.76Å; T218-I617 HydrophobicContact CG2-CG2 4.04Å; T218-Y630 WeakPolarHBondContact OG1-CD1 2.99Å; T218-Y630 WeakPolarHBondContact OG1-CD2 3.07Å; T218-Y630 WeakPolarHBondContact OG1-CE1 3.15Å; T218-Y630 WeakPolarHBondContact OG1-CE2 3.18Å; T218-Y630 VanDerWaalsContact OG1-CG 3.27Å
219	Q	91.9	Very high	75.1	Confident	29 Å²	29	57.5 Å²	57.5	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-72.2	-39.3	176.3	-174.8	-96.4	16.3	0	0	111.1	D217 L222 R223 D458 S460 H569 Y664 V665	D217-Q219 WeakPolarHBondContact OD1-CA 3.45Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.31Å; D217-Q219 PolarHBondContact OD1-N 3.09Å; Q219-L222 PolarHBondContact O-N 2.88Å; Q219-R223 VanDerWaalsContact NE2-CD 3.34Å; Q219-R223 WeakPolarHBondContact O-CG 3.33Å; Q219-R223 PolarHBondContact O-N 2.95Å; Q219-D458 PolarHBondContact NE2-OD2 2.76Å; Q219-S460 PolarHBondContact NE2-OG 2.9Å; Q219-S460 VanDerWaalsContact NE2-OG 3.1Å; Q219-H569 HydrophobicContact CG-CB 3.91Å; Q219-Y664 HydrophobicContact CB-CE1 4.5Å; Q219-V665 HydrophobicContact CB-CG2 4.24Å
220	E	90.5	Very high	77.6	Confident	81 Å²	81	54.6 Å²	54.6	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-39.2	174.6	-175	162.7	-140.2	0	0	111.9	M204 F205 D217 C224	M204-E220 WeakPolarHBondContact CE-OE1 3.1Å; M204-E220 HydrophobicContact SD-CG 4.32Å; M204-E220 VanDerWaalsContact SD-OE2 3.33Å; F205-E220 HydrophobicContact CZ-CG 4.41Å; D217-E220 HydrophobicContact CB-CB 4.08Å; D217-E220 PolarHBondContact OD1-N 2.94Å; E220-C224 WeakPolarHBondContact O-CB 3.2Å; E220-C224 PolarHBondContact O-N 2.78Å
221	F	93	Very high	80.3	Confident	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-47.6	171.4	174.6	-89.9	0	0	0	112.5	Y136 M137 A140 L141 I198 F205 D217 R223 C224 L225	Y136-F221 HydrophobicContact CD2-CB 3.79Å; Y136-F221 HydrophobicContact CD2-CD2 4.2Å; Y136-F221 HydrophobicContact CD2-CG 4.02Å; Y136-F221 HydrophobicContact CE2-CB 3.85Å; Y136-F221 AromaticContact CE2-CD2 3.6Å; Y136-F221 HydrophobicContact CE2-CD2 3.6Å; Y136-F221 HydrophobicContact CE2-CE2 4.44Å; Y136-F221 AromaticContact CE2-CG 3.89Å; Y136-F221 HydrophobicContact CE2-CG 3.89Å; M137-F221 HydrophobicContact CB-CD2 4.21Å; M137-F221 HydrophobicContact CB-CE1 4.2Å; M137-F221 HydrophobicContact CB-CE2 3.76Å; M137-F221 HydrophobicContact CB-CZ 3.79Å; M137-F221 HydrophobicContact CG-CE1 4.12Å; M137-F221 HydrophobicContact CG-CE2 3.72Å; M137-F221 HydrophobicContact CG-CZ 3.44Å; M137-F221 VanDerWaalsContact CG-CZ 3.44Å; M137-F221 HydrophobicContact SD-CE2 4.1Å; M137-F221 HydrophobicContact SD-CZ 4.19Å; A140-F221 HydrophobicContact CB-CD1 3.44Å; A140-F221 VanDerWaalsContact CB-CD1 3.44Å; A140-F221 HydrophobicContact CB-CE1 3.62Å; L141-F221 HydrophobicContact CD2-CE1 4.48Å; L141-F221 HydrophobicContact CD2-CZ 4.48Å; L141-F221 HydrophobicContact CG-CE1 4.27Å; L141-F221 HydrophobicContact CG-CZ 4.33Å; I198-F221 HydrophobicContact CD1-CE2 3.45Å; I198-F221 VanDerWaalsContact CD1-CE2 3.45Å; I198-F221 HydrophobicContact CD1-CZ 3.55Å; I198-F221 HydrophobicContact CG2-CD2 4.43Å; I198-F221 HydrophobicContact CG2-CE2 4.06Å; F205-F221 HydrophobicContact CE1-CB 4.32Å; F205-F221 HydrophobicContact CZ-CB 4.16Å; F205-F221 HydrophobicContact CZ-CD2 4.45Å; D217-F221 WeakPolarHBondContact O-CB 3.42Å; D217-F221 PolarHBondContact O-N 3.26Å; D217-F221 VanDerWaalsContact O-N 3.08Å; F221-R223 PolarHBondContact O-N 2.8Å; F221-C224 PolarHBondContact O-N 3.1Å; F221-L225 HydrophobicContact CE1-CD2 3.94Å; F221-L225 HydrophobicContact CZ-CD2 4.1Å; F221-L225 WeakPolarHBondContact O-CB 3.34Å; F221-L225 PolarHBondContact O-N 3.06Å
222	L	95	Very high	83	Confident	6 Å²	6	41 Å²	41	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-49.6	177.9	-81	168	0	0	0	111.3	A140 L144 T218 Q219 L225 M226 I617 V665 F667	A140-L222 HydrophobicContact CB-CD1 4.45Å; A140-L222 HydrophobicContact CB-CD2 3.59Å; A140-L222 HydrophobicContact CB-CG 3.73Å; L144-L222 HydrophobicContact CD1-CD2 3.64Å; L144-L222 HydrophobicContact CD2-CD2 4.22Å; L144-L222 HydrophobicContact CG-CD2 3.76Å; T218-L222 HydrophobicContact CG2-CD1 4.4Å; T218-L222 WeakPolarHBondContact O-CB 3.38Å; T218-L222 VanDerWaalsContact O-CG 3.3Å; T218-L222 WeakPolarHBondContact O-CG 3.36Å; T218-L222 PolarHBondContact O-N 2.91Å; Q219-L222 PolarHBondContact O-N 2.88Å; L222-L225 PolarHBondContact O-N 2.86Å; L222-M226 WeakPolarHBondContact O-CG 3.34Å; L222-M226 PolarHBondContact O-N 3.21Å; L222-I617 HydrophobicContact CD1-CD1 4.08Å; L222-V665 HydrophobicContact CD1-CG1 4.07Å; L222-F667 HydrophobicContact CD1-CE2 4.1Å; L222-F667 HydrophobicContact CD1-CZ 3.76Å; L222-F667 HydrophobicContact CD2-CZ 3.88Å; L222-F667 HydrophobicContact CG-CZ 4.48Å
223	R	92.4	Very high	85.5	Confident	93 Å²	93	37.5 Å²	37.5	35%	0.351	19%	0.194	S	C	.	.	H	α-helix	trans	-58.9	-50.8	177.1	-71.5	-178.9	58.7	81.5	18.8	111.7	Q219 F221 L225 M226 D227 D458	Q219-R223 VanDerWaalsContact NE2-CD 3.34Å; Q219-R223 WeakPolarHBondContact O-CG 3.33Å; Q219-R223 PolarHBondContact O-N 2.95Å; F221-R223 PolarHBondContact O-N 2.8Å; R223-L225 PolarHBondContact O-N 3.06Å; R223-M226 PolarHBondContact O-N 3.04Å; R223-D227 WeakPolarHBondContact O-CB 3.24Å; R223-D227 PolarHBondContact O-N 2.84Å; R223-D458 WeakPolarHBondContact CD-OD1 3.31Å; R223-D458 IonicContact CZ-OD1 2.62Å; R223-D458 IonicContact NE-OD1 2.67Å; R223-D458 IonicContact NH1-OD1 3.27Å; R223-D458 PolarHBondContact NH1-OD1 2.86Å
224	C	92.4	Very high	87.7	Confident	25 Å²	25	36.3 Å²	36.3	17%	0.169	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-33.5	179.3	-173.4	0	0	0	0	113.1	N202 F205 E220 F221 Q228	N202-C224 PolarHBondContact ND2-SG 3Å; N202-C224 VanDerWaalsContact ND2-SG 3.42Å; F205-C224 HydrophobicContact CE2-CB 3.83Å; F205-C224 HydrophobicContact CZ-CB 4.22Å; E220-C224 WeakPolarHBondContact O-CB 3.2Å; E220-C224 PolarHBondContact O-N 2.78Å; F221-C224 PolarHBondContact O-N 3.1Å; C224-Q228 WeakPolarHBondContact O-CB 3.41Å; C224-Q228 PolarHBondContact O-N 3.08Å
225	L	94.1	Very high	89.3	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-73.9	-45.6	175.7	-179.8	57.1	0	0	0	111.6	L141 L144 L169 L194 I198 F221 L222 R223 Q228 L229	L141-L225 HydrophobicContact CD2-CD2 3.66Å; L144-L225 HydrophobicContact CD1-CD2 3.82Å; L169-L225 HydrophobicContact CD1-CD1 4.48Å; L194-L225 HydrophobicContact CD1-CD1 4.45Å; I198-L225 HydrophobicContact CD1-CD1 4.05Å; F221-L225 HydrophobicContact CE1-CD2 3.94Å; F221-L225 HydrophobicContact CZ-CD2 4.1Å; F221-L225 WeakPolarHBondContact O-CB 3.34Å; F221-L225 PolarHBondContact O-N 3.06Å; L222-L225 PolarHBondContact O-N 2.86Å; R223-L225 PolarHBondContact O-N 3.06Å; L225-Q228 PolarHBondContact O-N 3.13Å; L225-L229 HydrophobicContact CD1-CD1 3.96Å; L225-L229 HydrophobicContact CD1-CG 4.02Å; L225-L229 HydrophobicContact CG-CD1 3.99Å; L225-L229 HydrophobicContact CG-CG 4.45Å; L225-L229 WeakPolarHBondContact O-CB 3.32Å; L225-L229 VanDerWaalsContact O-CG 3.26Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.39Å
226	M	94.4	Very high	90.2	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-44.6	178.2	-69	-173.1	-56.2	0	0	112.1	L222 R223 Q228 L229 H230 I429 F433 Q457	L222-M226 WeakPolarHBondContact O-CG 3.34Å; L222-M226 PolarHBondContact O-N 3.21Å; R223-M226 PolarHBondContact O-N 3.04Å; M226-Q228 PolarHBondContact O-N 3.04Å; M226-L229 PolarHBondContact O-N 2.86Å; M226-H230 WeakPolarHBondContact O-CB 3.45Å; M226-H230 PolarHBondContact O-N 3.07Å; M226-I429 HydrophobicContact CB-CG2 4.06Å; M226-F433 HydrophobicContact SD-CD1 4.31Å; M226-F433 HydrophobicContact SD-CD2 4.16Å; M226-F433 HydrophobicContact SD-CE2 4.41Å; M226-F433 HydrophobicContact SD-CG 4.1Å; M226-Q457 HydrophobicContact CE-CB 4.03Å
227	D	92.5	Very high	89.9	Confident	76 Å²	76	41.8 Å²	41.8	41%	0.406	21%	0.207	S	C	.	.	H	α-helix	trans	-57.5	-45.9	175.1	-78.7	-37.6	0	0	0	111.4	R223 H230 E231	R223-D227 WeakPolarHBondContact O-CB 3.24Å; R223-D227 PolarHBondContact O-N 2.84Å; D227-H230 PolarHBondContact O-N 3.04Å; D227-E231 WeakPolarHBondContact O-CB 3.22Å; D227-E231 PolarHBondContact O-N 2.65Å
228	Q	92.7	Very high	88.3	Confident	39 Å²	39	43.9 Å²	43.9	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-72.6	-35.6	-179.9	-177.7	61.3	27.4	0	0	112.6	L169 V201 C224 L225 M226 E231 E232	L169-Q228 HydrophobicContact CB-CG 4.33Å; L169-Q228 HydrophobicContact CD1-CB 4.21Å; L169-Q228 HydrophobicContact CD1-CG 3.54Å; L169-Q228 HydrophobicContact CG-CG 3.85Å; V201-Q228 HydrophobicContact CG1-CG 4.19Å; V201-Q228 HydrophobicContact CG2-CG 4.41Å; C224-Q228 WeakPolarHBondContact O-CB 3.41Å; C224-Q228 PolarHBondContact O-N 3.08Å; L225-Q228 PolarHBondContact O-N 3.13Å; M226-Q228 PolarHBondContact O-N 3.04Å; Q228-E231 PolarHBondContact O-N 3.5Å; Q228-E232 PolarHBondContact NE2-OE1 3.1Å; Q228-E232 WeakPolarHBondContact O-CB 3.27Å; Q228-E232 WeakPolarHBondContact O-CG 3.45Å; Q228-E232 PolarHBondContact O-N 3.26Å
229	L	93.8	Very high	86.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-40.6	172.6	-72.9	175.4	0	0	0	111.4	F154 C170 Y173 L225 M226 E232 L233 I429	F154-L229 HydrophobicContact CZ-CD2 4.37Å; C170-L229 HydrophobicContact CB-CD2 3.84Å; Y173-L229 HydrophobicContact CG-CD1 4.48Å; L225-L229 HydrophobicContact CD1-CD1 3.96Å; L225-L229 HydrophobicContact CD1-CG 4.02Å; L225-L229 HydrophobicContact CG-CD1 3.99Å; L225-L229 HydrophobicContact CG-CG 4.45Å; L225-L229 WeakPolarHBondContact O-CB 3.32Å; L225-L229 VanDerWaalsContact O-CG 3.26Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.39Å; M226-L229 PolarHBondContact O-N 2.86Å; L229-E232 PolarHBondContact O-N 2.94Å; L229-L233 VanDerWaalsContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CB 3.37Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 2.99Å; L229-I429 HydrophobicContact CB-CD1 3.9Å; L229-I429 HydrophobicContact CB-CG1 3.77Å; L229-I429 HydrophobicContact CD1-CD1 4.21Å
230	H	93.4	Very high	83.8	Confident	33 Å²	33	52.5 Å²	52.5	15%	0.153	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-50.3	171.8	179.8	113.7	0	0	0	110	M226 D227 E232 L233 K234 S427 I429	M226-H230 WeakPolarHBondContact O-CB 3.45Å; M226-H230 PolarHBondContact O-N 3.07Å; D227-H230 PolarHBondContact O-N 3.04Å; H230-E232 VanDerWaalsContact C-N 3.3Å; H230-E232 PolarHBondContact O-N 3.38Å; H230-L233 PolarHBondContact O-N 3.42Å; H230-K234 WeakPolarHBondContact O-CB 3.2Å; H230-K234 PolarHBondContact O-N 3.33Å; H230-S427 PolarHBondContact ND1-OG 3.46Å; H230-S427 VanDerWaalsContact ND1-OG 3.15Å; H230-I429 HydrophobicContact CB-CB 4.06Å; H230-I429 HydrophobicContact CB-CG1 4.4Å; H230-I429 HydrophobicContact CB-CG2 4.19Å
231	E	91.8	Very high	80.9	Confident	75 Å²	75	53.4 Å²	53.4	35%	0.35	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-34.8	178.6	-89.5	-62.1	142.2	0	0	113.4	K165 D227 Q228 K234	K165-E231 PolarHBondContact NZ-O 2.87Å; K165-E231 IonicContact NZ-OE2 3.86Å; K165-E231 PolarHBondContact NZ-OE2 3.4Å; D227-E231 WeakPolarHBondContact O-CB 3.22Å; D227-E231 PolarHBondContact O-N 2.65Å; Q228-E231 PolarHBondContact O-N 3.5Å; E231-K234 VanDerWaalsContact CD-NZ 3.3Å; E231-K234 WeakPolarHBondContact OE1-CE 3.28Å; E231-K234 IonicContact OE1-NZ 2.76Å; E231-K234 PolarHBondContact OE1-NZ 3.49Å; E231-K234 VanDerWaalsContact OE2-CE 3.26Å; E231-K234 WeakPolarHBondContact OE2-CE 3.47Å; E231-K234 IonicContact OE2-NZ 3.78Å; E231-K234 PolarHBondContact OE2-NZ 2.92Å
232	E	92.1	Very high	78	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-78.2	-26.8	177.8	-78.3	-179.7	-146.7	0	0	114.2	T163 K165 A168 L169 C170 Q228 L229 H230	T163-E232 WeakPolarHBondContact CB-O 3.18Å; T163-E232 HydrophobicContact CG2-CB 4.37Å; T163-E232 HydrophobicContact CG2-CG 4.27Å; T163-E232 PolarHBondContact OG1-O 2.84Å; T163-E232 VanDerWaalsContact OG1-O 3.05Å; K165-E232 HydrophobicContact CB-CG 4.43Å; K165-E232 HydrophobicContact CD-CG 4.3Å; A168-E232 WeakPolarHBondContact CA-OE2 3.38Å; L169-E232 WeakPolarHBondContact CB-OE1 3.38Å; L169-E232 VanDerWaalsContact N-CD 3.27Å; L169-E232 PolarHBondContact N-OE1 2.98Å; L169-E232 PolarHBondContact N-OE2 3.42Å; C170-E232 HydrophobicContact CB-CB 4.27Å; C170-E232 WeakPolarHBondContact CB-OE2 3.21Å; C170-E232 PolarHBondContact N-OE2 2.74Å; C170-E232 PolarHBondContact SG-OE2 3.41Å; C170-E232 VanDerWaalsContact SG-OE2 3.38Å; Q228-E232 PolarHBondContact NE2-OE1 3.1Å; Q228-E232 WeakPolarHBondContact O-CB 3.27Å; Q228-E232 WeakPolarHBondContact O-CG 3.45Å; Q228-E232 PolarHBondContact O-N 3.26Å; L229-E232 PolarHBondContact O-N 2.94Å; H230-E232 VanDerWaalsContact C-N 3.3Å; H230-E232 PolarHBondContact O-N 3.38Å
233	L	91	Very high	74.9	Confident	15 Å²	15	66.2 Å²	66.2	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-114.7	12.5	-172.4	-61	175.4	0	0	0	114.2	F154 V161 C170 L229 H230 S427 V428	F154-L233 HydrophobicContact CE1-CD1 4.38Å; F154-L233 HydrophobicContact CZ-CD1 3.86Å; V161-L233 HydrophobicContact CG1-CD2 4.26Å; C170-L233 HydrophobicContact CB-CD1 4.05Å; C170-L233 HydrophobicContact CB-CD2 3.85Å; C170-L233 HydrophobicContact CB-CG 3.92Å; L229-L233 VanDerWaalsContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CB 3.37Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 2.99Å; H230-L233 PolarHBondContact O-N 3.42Å; L233-S427 VanDerWaalsContact O-CB 3.31Å; L233-S427 WeakPolarHBondContact O-CB 3.41Å; L233-V428 HydrophobicContact CD1-CG1 3.78Å
234	K	89.6	Confident	72	Confident	63 Å²	63	65 Å²	65	27%	0.274	38%	0.378	S	S	.	.			trans	-82.6	135.9	-178.5	66.3	179.7	-171.3	178.1	0	114.4	H230 E231 Y425 R426	H230-K234 WeakPolarHBondContact O-CB 3.2Å; H230-K234 PolarHBondContact O-N 3.33Å; E231-K234 VanDerWaalsContact CD-NZ 3.3Å; E231-K234 WeakPolarHBondContact OE1-CE 3.28Å; E231-K234 IonicContact OE1-NZ 2.76Å; E231-K234 PolarHBondContact OE1-NZ 3.49Å; E231-K234 VanDerWaalsContact OE2-CE 3.26Å; E231-K234 WeakPolarHBondContact OE2-CE 3.47Å; E231-K234 IonicContact OE2-NZ 3.78Å; E231-K234 PolarHBondContact OE2-NZ 2.92Å; K234-Y425 HydrophobicContact CB-CD1 4.42Å; K234-Y425 HydrophobicContact CD-CD1 4.03Å; K234-Y425 HydrophobicContact CD-CG 4Å; K234-Y425 HydrophobicContact CG-CD1 4.18Å; K234-R426 CarbonylContact C-O 3.5Å; K234-R426 WeakPolarHBondContact CA-O 3.37Å
235	E	82.9	Confident	69.2	Low	109 Å²	109	73.2 Å²	73.2	51%	0.509	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.9	178.3	-59.3	179.1	-128	0	0	109.7	L237 Y425 R426	E235-L237 PolarHBondContact O-N 2.86Å; E235-Y425 CarbonylContact O-C 3.49Å; E235-Y425 VanDerWaalsContact O-CA 3.28Å; E235-Y425 WeakPolarHBondContact O-CA 3.11Å; E235-Y425 WeakPolarHBondContact O-CD1 3.47Å; E235-R426 PolarHBondContact N-O 2.91Å; E235-R426 PolarHBondContact O-N 2.78Å
236	P	76.4	Confident	66.1	Low	93 Å²	93	76.6 Å²	76.6	60%	0.604	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.5	176.7	29.7	-32.9	0	0	0	110.7	T238 Y425	P236-T238 PolarHBondContact O-N 3.16Å; P236-Y425 HydrophobicContact CB-CD1 4.47Å; P236-Y425 HydrophobicContact CB-CE1 4.23Å
237	L	69.7	Low	63.1	Low	83 Å²	83	81.2 Å²	81.2	44%	0.435	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.5	168.9	-74.3	176.3	0	0	0	109.7	E235 H424 R426	E235-L237 PolarHBondContact O-N 2.86Å; L237-H424 HydrophobicContact CB-CB 3.91Å; L237-H424 HydrophobicContact CD1-CB 4.06Å; L237-H424 PolarHBondContact N-O 3.5Å; L237-R426 HydrophobicContact CD1-CB 3.91Å; L237-R426 HydrophobicContact CD2-CB 3.78Å; L237-R426 HydrophobicContact CD2-CG 4.49Å; L237-R426 HydrophobicContact CG-CB 3.7Å
238	T	54.1	Low	60.1	Low	85 Å²	85	85.8 Å²	85.8	52%	0.521	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-87.6	116.7	169.9	-41.6	0	0	0	0	110	P236 C240 Q723	P236-T238 PolarHBondContact O-N 3.16Å; T238-C240 PolarHBondContact O-N 2.91Å; T238-Q723 PolarHBondContact OG1-OE1 2.97Å
239	E	46.8	Very low	57.2	Low	97 Å²	97	90 Å²	90	45%	0.453	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-61.8	122.4	176.2	-60	168.4	137.9	0	0	111	S241 K421	E239-S241 PolarHBondContact O-N 2.95Å; E239-K421 WeakPolarHBondContact OE2-CE 3.5Å; E239-K421 IonicContact OE2-NZ 2.64Å; E239-K421 PolarHBondContact OE2-NZ 2.81Å
240	C	41.8	Very low	54.3	Low	114 Å²	114	97 Å²	97	77%	0.77	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-69.8	116.9	163.9	-77.3	0	0	0	0	109.3	T238 M242	T238-C240 PolarHBondContact O-N 2.91Å; C240-M242 HydrophobicContact CB-CG 4.37Å; C240-M242 PolarHBondContact O-N 3.22Å
241	S	29.4	Very low	51.3	Low	99 Å²	99	102.1 Å²	102.1	69%	0.692	60%	0.596	S	S	*	*			trans	-71.7	68.1	173.5	-61.3	0	0	0	0	111.7	E239 S243	E239-S241 PolarHBondContact O-N 2.95Å; S241-S243 PolarHBondContact O-N 3.25Å
242	M	31.9	Very low	48.5	Very low	172 Å²	172	109.7 Å²	109.7	85%	0.847	62%	0.622	S	S	*	*			trans	-76.9	59.3	168.2	-67	-56.8	-64.4	0	0	110.4	C240 G244	C240-M242 HydrophobicContact CB-CG 4.37Å; C240-M242 PolarHBondContact O-N 3.22Å; M242-G244 PolarHBondContact O-N 3.47Å
243	S	30.5	Very low	45.5	Very low	104 Å²	104	118.9 Å²	118.9	73%	0.727	66%	0.656	S	S	*	*			trans	-73.4	81.3	165.1	54.7	0	0	0	0	108.6	S241	S241-S243 PolarHBondContact O-N 3.25Å
244	G	29.6	Very low	42.7	Very low	67 Å²	67	125.5 Å²	125.5	69%	0.691	69%	0.691	S	S	*	*			trans	-60.1	139.7	166.2	0	0	0	0	0	110	M242 G246	M242-G244 PolarHBondContact O-N 3.47Å; G244-G246 PolarHBondContact O-N 2.99Å
245	E	34.9	Very low	39.8	Very low	198 Å²	198	125.4 Å²	125.4	93%	0.925	71%	0.708	S	S	*	*			trans	-73	88.4	-177	-67.1	175.7	116	0	0	110.6	S247	E245-S247 PolarHBondContact O-N 3.45Å
246	G	28.2	Very low	37.1	Very low	73 Å²	73	126.7 Å²	126.7	75%	0.753	72%	0.719	S	S	*	*			trans	-73	103.3	166.1	0	0	0	0	0	109.9	G244 D248	G244-G246 PolarHBondContact O-N 2.99Å; G246-D248 PolarHBondContact O-N 3.43Å
247	S	31.3	Very low	34.9	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	73%	0.73	S	S	*	*			trans	-81	92	-179.3	59.9	0	0	0	0	111.8	E245 V249	E245-S247 PolarHBondContact O-N 3.45Å; S247-V249 PolarHBondContact O-N 3.35Å
248	D	30.2	Very low	33	Very low	171 Å²	171	133.7 Å²	133.7	91%	0.914	74%	0.743	S	S	*	*			trans	-71.4	105.7	163.8	-82.4	-34	0	0	0	109.5	G246	G246-D248 PolarHBondContact O-N 3.43Å
249	V	32.8	Very low	32.3	Very low	127 Å²	127	135.5 Å²	135.5	77%	0.77	76%	0.756	S	S	*	*			trans	-95.6	117	173.9	177.4	0	0	0	0	108.6	S247	S247-V249 PolarHBondContact O-N 3.35Å
250	D	32	Very low	31.4	Very low	149 Å²	149	135.2 Å²	135.2	80%	0.797	77%	0.765	S	S	*	*			trans	-133	111.7	171.7	-155.8	-6.1	0	0	0	109.5
251	E	31.1	Very low	30.9	Very low	141 Å²	141	137.2 Å²	137.2	66%	0.659	76%	0.763	S	S	*	*			trans	-81.5	116.3	-174.8	-109	-156.2	108.4	0	0	111.5	R253	E251-R253 IonicContact OE1-CZ 3.86Å; E251-R253 IonicContact OE1-NH1 2.93Å; E251-R253 PolarHBondContact OE1-NH1 2.97Å
252	R	31.3	Very low	30.9	Very low	234 Å²	234	139.9 Å²	139.9	88%	0.883	77%	0.769	S	S	*	*			trans	-138.5	88.9	158	-67.6	-164.4	-175.1	-144.6	-1.7	113.8
253	R	30.9	Very low	30.8	Very low	200 Å²	200	140 Å²	140	76%	0.755	77%	0.768	S	S	*	*			trans	-53.7	158.6	151.1	-88.7	172.7	164.1	134.4	-14.6	112.5	E251	E251-R253 IonicContact OE1-CZ 3.86Å; E251-R253 IonicContact OE1-NH1 2.93Å; E251-R253 PolarHBondContact OE1-NH1 2.97Å
254	D	30.7	Very low	30.8	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	77%	0.771	S	S	*	*			cis	-168.2	169.9	-16.9	-150	-28.4	0	0	0	108.8
255	G	28.3	Very low	30.7	Very low	61 Å²	61	147.8 Å²	147.8	63%	0.629	78%	0.776	S	S	*	*			trans	83.6	142.9	168.5	0	0	0	0	0	116.2
256	D	27.5	Very low	30.4	Very low	137 Å²	137	142.4 Å²	142.4	73%	0.733	76%	0.76	S	S	*	*			cis	-134.5	140.8	-1.9	-107.3	-31.3	0	0	0	108.1
257	R	29.4	Very low	30.2	Very low	222 Å²	222	144.1 Å²	144.1	84%	0.838	76%	0.76	S	S	*	*				55.2	142.4	86.5	-72.9	-175	155.3	166.9	-5.4	114.7
258	S	31.3	Very low	29.9	Very low	101 Å²	101	146 Å²	146	71%	0.706	76%	0.761	S	S	*	*			cis	-169.6	-169.8	2.5	-108.4	0	0	0	0	107.4
259	P	37.4	Very low	29.8	Very low	123 Å²	123	143 Å²	143	80%	0.799	75%	0.754	S	S	*	*			cis	-125.4	-164.8	-4.5	38.9	-19.7	0	0	0	113.7
260	S	29.4	Very low	29.4	Very low	91 Å²	91	140.5 Å²	140.5	64%	0.636	75%	0.754	S	S	*	*			trans	-110.2	-175.5	176	40.2	0	0	0	0	112.7
261	E	30.2	Very low	29	Very low	155 Å²	155	138.7 Å²	138.7	72%	0.724	75%	0.753	S	S	*	*			trans	78.6	114.4	167.6	-69	126.3	-96.9	0	0	119.5
262	D	29.8	Very low	28.7	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	75%	0.752	S	S	*	*			trans	59	163.6	141.6	-53.6	-33.6	0	0	0	119.6
263	E	30.6	Very low	28.6	Very low	176 Å²	176	130.3 Å²	130.3	82%	0.822	75%	0.746	S	S	*	*			cis	-148	134.6	10.1	-163.3	174.3	-165	0	0	109.4
264	F	29.7	Very low	28.3	Very low	182 Å²	182	126.5 Å²	126.5	80%	0.798	74%	0.741	S	S	*	*			trans	-104.5	89.6	171.5	-167.6	-93.8	0	0	0	112.4
265	L	27.3	Very low	28.3	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	74%	0.742	S	S	*	*			trans	-121	90.6	146.7	-80.2	-179.3	0	0	0	110.7
266	S	28	Very low	28.2	Very low	85 Å²	85	130.2 Å²	130.2	59%	0.594	75%	0.746	S	S	*	*			trans	80	155.4	152.2	-59.1	0	0	0	0	121.8
267	C	24.2	Very low	28.2	Very low	109 Å²	109	133.2 Å²	133.2	74%	0.736	76%	0.755	S	S	*	*			trans	66.5	113.4	158.7	72.6	0	0	0	0	122.5
268	D	24.8	Very low	28.1	Very low	141 Å²	141	126.4 Å²	126.4	75%	0.754	75%	0.754	S	S	*	*			trans	74.2	110.1	131.9	-81.5	-67.3	0	0	0	123.6
269	S	29.7	Very low	27.8	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	76%	0.763	S	S	*	*				55.6	87	111.4	-52.7	0	0	0	0	120.5
270	G	23.9	Very low	27.3	Very low	75 Å²	75	123.3 Å²	123.3	77%	0.773	76%	0.76	S	S	*	*				102.3	141.1	113.9	0	0	0	0	0	121.2
271	S	24.4	Very low	27.1	Very low	112 Å²	112	127.9 Å²	127.9	78%	0.783	78%	0.777	S	S	*	*			trans	79.8	133.8	145.4	-159.3	0	0	0	0	122.1
272	S	24.4	Very low	27	Very low	91 Å²	91	124.4 Å²	124.4	64%	0.636	78%	0.782	S	S	*	*			trans	65.9	109.4	138.6	55.5	0	0	0	0	122.8
273	S	28.1	Very low	26.8	Very low	107 Å²	107	127 Å²	127	75%	0.748	79%	0.789	S	S	*	*				89.5	134.4	109.7	72.9	0	0	0	0	123.6
274	D	25.8	Very low	26.6	Very low	120 Å²	120	121.8 Å²	121.8	64%	0.642	78%	0.783	S	S	*	*			trans	80.3	110.9	135.5	-92.4	-1.1	0	0	0	123.3
275	R	29.2	Very low	26.4	Very low	225 Å²	225	121.3 Å²	121.3	85%	0.849	78%	0.783	S	S	*	*				84.1	138.5	123.3	-69.9	171.8	-162.9	-139.6	3.1	123.4
276	G	26.5	Very low	26.4	Very low	69 Å²	69	120.3 Å²	120.3	71%	0.711	78%	0.778	S	S	*	*			trans	106	154.7	144.7	0	0	0	0	0	116.1
277	E	28.4	Very low	26.1	Very low	199 Å²	199	124.3 Å²	124.3	93%	0.93	79%	0.785	S	S	*	*			cis	-164.6	151.7	-33	-142.9	-175.9	128.5	0	0	110.1
278	G	26.3	Very low	26.3	Very low	80 Å²	80	126.5 Å²	126.5	83%	0.825	79%	0.789	S	S	*	*			trans	75.7	154.4	171.9	0	0	0	0	0	116.7
279	G	26	Very low	26.2	Very low	86 Å²	86	127 Å²	127	89%	0.887	79%	0.786	S	S	*	*			cis	161.7	147	-9.9	0	0	0	0	0	112.6
280	G	25.6	Very low	26	Very low	72 Å²	72	128.5 Å²	128.5	74%	0.742	79%	0.786	S	S	*	*			trans	146.8	101.4	167.1	0	0	0	0	0	118.2
281	L	27.1	Very low	26.1	Very low	188 Å²	188	132.1 Å²	132.1	98%	0.984	78%	0.783	S	S	*	*			trans	49.2	124.5	138.3	-59.2	167.9	0	0	0	121.8
282	G	26.3	Very low	26	Very low	81 Å²	81	131.9 Å²	131.9	84%	0.835	78%	0.78	S	S	*	*			trans	169.4	117.3	162.7	0	0	0	0	0	112.2
283	E	26.9	Very low	25.9	Very low	209 Å²	209	135.2 Å²	135.2	98%	0.977	79%	0.79	S	S	*	*			trans	-94.7	163	-166.4	-60.1	176.1	123.6	0	0	115.4
284	G	26.8	Very low	25.7	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	78%	0.783	S	S	*	*			trans	115.2	94.6	166.9	0	0	0	0	0	114.2
285	E	25.5	Very low	25.6	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	79%	0.793	S	S	*	*				60.7	130.8	76.6	-71.1	-146.4	122.7	0	0	114.6
286	L	25.5	Very low	25.3	Very low	129 Å²	129	136 Å²	136	68%	0.675	79%	0.792	S	S	*	*			cis	-147.5	132	-1	-89.1	139.9	0	0	0	106.8
287	F	22.7	Very low	25.2	Very low	170 Å²	170	138 Å²	138	75%	0.746	80%	0.795	S	S	*	*				85.8	149.5	76.1	-103.9	-76.8	0	0	0	116.9
288	L	27.4	Very low	25.3	Very low	155 Å²	155	134.7 Å²	134.7	81%	0.812	79%	0.791	S	S	*	*			trans	69.8	110.6	179.4	-51.7	179	0	0	0	115
289	Q	23.5	Very low	25.1	Very low	151 Å²	151	136.7 Å²	136.7	71%	0.706	79%	0.792	S	S	*	*			cis	68.7	97.6	9.7	-165.8	172.4	15.8	0	0	116.5
290	D	25.1	Very low	25.1	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	79%	0.787	S	S	*	*				-170.5	127.8	121.9	-101.4	9.5	0	0	0	108.4
291	E	25.6	Very low	25	Very low	152 Å²	152	137.7 Å²	137.7	71%	0.71	79%	0.793	S	S	*	*				70.1	101.1	82.3	-70.1	-88.5	89.3	0	0	111.7
292	C	22.9	Very low	25.1	Very low	106 Å²	106	135.2 Å²	135.2	72%	0.716	79%	0.785	S	S	*	*				88.2	156.5	89.6	90.1	0	0	0	0	112.4
293	D	23.1	Very low	25	Very low	161 Å²	161	134.5 Å²	134.5	86%	0.861	78%	0.778	S	S	*	*			cis	-138.5	168.2	-9.4	-163.2	-2.3	0	0	0	108.7
294	G	22.9	Very low	24.9	Very low	58 Å²	58	131 Å²	131	60%	0.598	78%	0.776	S	S	*	*			trans	-83.5	-174.7	-164.9	0	0	0	0	0	116.6
295	F	23.8	Very low	24.7	Very low	195 Å²	195	130.4 Å²	130.4	86%	0.855	77%	0.771	S	S	*	*			trans	-143.4	159.7	151.5	-131.6	-93.9	0	0	0	113
296	R	24.3	Very low	24.7	Very low	217 Å²	217	130.3 Å²	130.3	82%	0.819	77%	0.772	S	S	*	*			trans	-68.1	149.8	-157.7	-63.7	169	173.1	164.4	-2.9	115.9
297	S	24.4	Very low	24.6	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	78%	0.782	S	S	*	*			trans	-62.7	172.6	159.9	-36.2	0	0	0	0	112.5
298	P	28.7	Very low	24.8	Very low	130 Å²	130	129.2 Å²	129.2	84%	0.844	78%	0.778	S	S	*	*				-125.4	154.4	109	36.3	-33.5	0	0	0	113.9
299	S	23.2	Very low	24.9	Very low	121 Å²	121	126.8 Å²	126.8	85%	0.846	77%	0.774	S	S	*	*			trans	-83.1	135.4	-179.4	53.4	0	0	0	0	113
300	A	25.8	Very low	25.1	Very low	95 Å²	95	129.2 Å²	129.2	79%	0.785	79%	0.786	S	S	*	*			trans	-122.8	104.1	161.3	0	0	0	0	0	109.3
301	G	24.1	Very low	25.5	Very low	84 Å²	84	130.8 Å²	130.8	87%	0.866	79%	0.786	S	S	*	*			trans	-90	120.6	170.1	0	0	0	0	0	109.8
302	V	28.2	Very low	25.9	Very low	136 Å²	136	132.4 Å²	132.4	82%	0.824	79%	0.794	S	S	*	*			trans	-121.5	135.4	173.4	-176.9	0	0	0	0	107.9
303	G	24	Very low	26.2	Very low	66 Å²	66	138.8 Å²	138.8	68%	0.68	80%	0.803	S	S	*	*			trans	-69	158.3	-178.5	0	0	0	0	0	112.6	G305	G303-G305 PolarHBondContact O-N 3.46Å
304	S	25.8	Very low	26.5	Very low	136 Å²	136	139.7 Å²	139.7	95%	0.951	81%	0.807	S	S	*	*			trans	-66.5	100.3	169.9	-177.5	0	0	0	0	109.3
305	G	23.1	Very low	26.8	Very low	55 Å²	55	146.9 Å²	146.9	57%	0.567	82%	0.821	S	S	*	*			trans	-95.5	150	168.1	0	0	0	0	0	110.6	G303 V307	G303-G305 PolarHBondContact O-N 3.46Å; G305-V307 PolarHBondContact O-N 2.87Å
306	M	24.6	Very low	27.1	Very low	170 Å²	170	147 Å²	147	84%	0.837	82%	0.824	S	S	*	*			trans	-64.9	121.7	-179.2	-168.1	158.5	62	0	0	110.7	I308	M306-I308 HydrophobicContact CE-CD1 4.12Å; M306-I308 HydrophobicContact CG-CG1 4.39Å; M306-I308 PolarHBondContact O-N 3.29Å; M306-I308 VanDerWaalsContact O-N 3.11Å
307	V	23.5	Very low	27.2	Very low	147 Å²	147	147 Å²	147	89%	0.891	82%	0.824	S	S	*	*			trans	-84.8	86.9	-176.8	-175.9	0	0	0	0	110	G305	G305-V307 PolarHBondContact O-N 2.87Å
308	I	26.8	Very low	27.3	Very low	130 Å²	130	152.4 Å²	152.4	67%	0.667	83%	0.828	S	S	*	*			trans	-94.4	144.3	163.1	-60.8	177.9	0	0	0	107.9	M306 E310	M306-I308 HydrophobicContact CE-CD1 4.12Å; M306-I308 HydrophobicContact CG-CG1 4.39Å; M306-I308 PolarHBondContact O-N 3.29Å; M306-I308 VanDerWaalsContact O-N 3.11Å; I308-E310 PolarHBondContact O-N 2.86Å
309	S	29.3	Very low	27.1	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	83%	0.828	S	S	*	*			trans	-71.7	92.5	-167.7	-176.4	0	0	0	0	113.9	K311	S309-K311 VanDerWaalsContact C-N 3.34Å; S309-K311 PolarHBondContact O-N 2.74Å
310	E	27.8	Very low	27.1	Very low	202 Å²	202	153 Å²	153	94%	0.944	83%	0.829	S	S	*	*			trans	-68.6	84.9	165	-72.7	-163.7	116.2	0	0	111.3	I308	I308-E310 PolarHBondContact O-N 2.86Å
311	K	33.4	Very low	27.1	Very low	171 Å²	171	151.9 Å²	151.9	74%	0.743	83%	0.827	S	S	*	*			trans	-126.6	33.3	175.2	-153	-170.9	174.1	176.4	0	114.6	S309	S309-K311 VanDerWaalsContact C-N 3.34Å; S309-K311 PolarHBondContact O-N 2.74Å
312	E	34.4	Very low	27.1	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	82%	0.824	S	S	*	*	S	Bend	trans	-143.7	57.3	173.8	-157.1	169	-135.7	0	0	114.5
313	R	29.3	Very low	27.8	Very low	240 Å²	240	152.3 Å²	152.3	91%	0.906	82%	0.82	S	S	*	*	S	Bend	trans	-152.1	12.9	167.4	-132.1	173	-176.8	78	6.3	118.9
314	L	28.6	Very low	27.9	Very low	180 Å²	180	156.3 Å²	156.3	94%	0.942	83%	0.825	S	S	*	*			trans	-137.5	71.9	-179.1	-83.5	172.9	0	0	0	113.8
315	K	30.6	Very low	28	Very low	208 Å²	208	161.5 Å²	161.5	90%	0.904	82%	0.823	S	S	*	*			trans	-142.6	11.9	156.2	-135.4	173.9	-176.7	178.3	0	116.5	R317	K315-R317 PolarHBondContact O-N 3.22Å
316	E	30.1	Very low	28	Very low	198 Å²	198	162.9 Å²	162.9	93%	0.925	84%	0.837	S	S	*	*			trans	-86.8	79.3	168.5	-71.4	-159.1	129.5	0	0	112.4
317	R	25.5	Very low	28	Very low	216 Å²	216	158.5 Å²	158.5	82%	0.815	84%	0.836	S	S	*	*			trans	-169.6	124.6	150.3	-119.3	174.1	169.3	-159	-3.6	114	K315	K315-R317 PolarHBondContact O-N 3.22Å
318	R	25.7	Very low	28.2	Very low	225 Å²	225	157.5 Å²	157.5	85%	0.849	84%	0.835	S	S	*	*			trans	69.9	141.5	176.6	-49.2	169.1	180	166.1	-1.6	111.6
319	V	26	Very low	28.3	Very low	140 Å²	140	159.8 Å²	159.8	85%	0.848	84%	0.843	S	S	*	*			cis	-119.6	152.7	16.3	172.8	0	0	0	0	111.3
320	S	23.4	Very low	28.4	Very low	124 Å²	124	163.1 Å²	163.1	87%	0.867	85%	0.847	S	S	*	*			trans	-111.8	135.7	164.2	179.2	0	0	0	0	108.8
321	G	24.3	Very low	28.5	Very low	71 Å²	71	160.1 Å²	160.1	73%	0.732	84%	0.835	S	S	*	*			trans	175.5	105.2	-177.4	0	0	0	0	0	113.1
322	S	23.8	Very low	28.5	Very low	116 Å²	116	159.1 Å²	159.1	81%	0.811	84%	0.838	S	S	*	*			trans	-138.6	166.5	176.2	-65.8	0	0	0	0	108.7
323	P	44.8	Very low	28.4	Very low	113 Å²	113	158.8 Å²	158.8	73%	0.734	84%	0.836	S	S	*	*			cis	-127.5	-173.9	-23.2	36.5	-20.2	0	0	0	111.6
324	L	25.7	Very low	28.7	Very low	149 Å²	149	155.2 Å²	155.2	78%	0.78	84%	0.835	S	S	*	*				174.3	139.4	123.5	-95.8	165.9	0	0	0	115.1
325	R	26.6	Very low	29	Very low	246 Å²	246	151.2 Å²	151.2	93%	0.928	83%	0.828	S	S	*	*			trans	38.6	124.8	150.3	-80.1	-176.5	169.8	-152.5	-4.1	121.9
326	G	24.5	Very low	29	Very low	83 Å²	83	148.9 Å²	148.9	86%	0.856	83%	0.826	S	S	*	*			trans	174	123.7	149.4	0	0	0	0	0	109.2
327	G	24	Very low	29.3	Very low	79 Å²	79	144.9 Å²	144.9	81%	0.814	82%	0.815	S	S	*	*			trans	-161.2	156	-176.4	0	0	0	0	0	113.5
328	S	28.1	Very low	29.4	Very low	125 Å²	125	141.3 Å²	141.3	87%	0.874	81%	0.812	S	S	*	*			trans	-146	145.7	175.9	-59.6	0	0	0	0	109.5
329	Q	28.6	Very low	29.7	Very low	178 Å²	178	136.9 Å²	136.9	83%	0.832	81%	0.81	S	S	*	*			trans	-89.7	-173	160.5	-59.2	153.5	-106.7	0	0	107.2
330	E	30.6	Very low	29.8	Very low	174 Å²	174	135 Å²	135	81%	0.813	81%	0.809	S	S	*	*			cis	-135.5	-173.2	8.4	-59.9	169.5	121.8	0	0	106.9
331	M	30.9	Very low	30.1	Very low	140 Å²	140	133.6 Å²	133.6	69%	0.69	81%	0.805	S	S	*	*			cis	-158.5	164.9	9	-158.7	-179.6	83.8	0	0	108.8	E333	M331-E333 HydrophobicContact CE-CB 4.42Å; M331-E333 HydrophobicContact CE-CG 4.26Å; M331-E333 VanDerWaalsContact CE-OE2 3.27Å; M331-E333 WeakPolarHBondContact CE-OE2 3.43Å
332	D	32.2	Very low	30.5	Very low	150 Å²	150	139 Å²	139	80%	0.802	81%	0.811	S	S	*	*			trans	-103.1	156.7	167.1	-60.8	-64.6	0	0	0	111.1
333	E	32.8	Very low	30.9	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	81%	0.814	S	S	*	*			trans	-161.9	132.7	153.3	-120.1	175.9	148.6	0	0	112.7	M331	M331-E333 HydrophobicContact CE-CB 4.42Å; M331-E333 HydrophobicContact CE-CG 4.26Å; M331-E333 VanDerWaalsContact CE-OE2 3.27Å; M331-E333 WeakPolarHBondContact CE-OE2 3.43Å
334	D	35.1	Very low	30	Very low	165 Å²	165	139.9 Å²	139.9	88%	0.882	82%	0.82	S	S	*	*			trans	-112.9	147.2	175.5	-78.5	-56.7	0	0	0	110.6
335	A	35.1	Very low	30.2	Very low	97 Å²	97	137.5 Å²	137.5	80%	0.802	82%	0.822	S	S	*	*			trans	-164.4	93	165.6	0	0	0	0	0	115.9
336	D	32.4	Very low	31.3	Very low	158 Å²	158	131.5 Å²	131.5	85%	0.845	82%	0.815	S	S	*	*				49.9	142.2	116	-81.7	-0.5	0	0	0	126.7
337	V	34.6	Very low	31.6	Very low	115 Å²	115	134.2 Å²	134.2	70%	0.697	81%	0.805	S	S	*	*			trans	96.2	106.4	140.3	165.2	0	0	0	0	123
338	D	29.3	Very low	31.9	Very low	140 Å²	140	138 Å²	138	75%	0.749	80%	0.795	S	S	*	*			trans	37.1	148.8	134.3	-49.5	-31.3	0	0	0	125.2
339	T	31.2	Very low	31.9	Very low	132 Å²	132	135 Å²	135	81%	0.81	78%	0.784	S	S	*	*				172.3	139.9	105.5	-72.5	0	0	0	0	115.7
340	A	28.4	Very low	32.1	Very low	100 Å²	100	133.6 Å²	133.6	83%	0.826	78%	0.777	S	S	*	*			trans	78.9	156.4	156.7	0	0	0	0	0	122.9
341	A	30.3	Very low	32.1	Very low	96 Å²	96	134.8 Å²	134.8	79%	0.793	78%	0.783	S	S	*	*			trans	-157.6	170.7	-177	0	0	0	0	0	110.6
342	E	31.6	Very low	32.1	Very low	183 Å²	183	136.7 Å²	136.7	86%	0.855	79%	0.79	S	S	*	*			trans	-179.1	133	136.9	-105.8	178.7	-172.3	0	0	115.3
343	D	32.1	Very low	33.4	Very low	165 Å²	165	134.1 Å²	134.1	88%	0.882	78%	0.781	S	S	*	*			trans	39.6	148.4	140.8	-75	13.1	0	0	0	127.5
344	G	25.8	Very low	34.1	Very low	83 Å²	83	131.8 Å²	131.8	86%	0.856	78%	0.782	S	S	*	*			trans	165.5	65.7	164.4	0	0	0	0	0	117.9
345	A	30.2	Very low	34	Very low	99 Å²	99	128.1 Å²	128.1	82%	0.818	78%	0.775	S	S	*	*			trans	-107.6	-160	172.7	0	0	0	0	0	111.2
346	P	50.4	Low	34.6	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	77%	0.771	S	S	*	*			cis	-118	-147.3	6.5	46.1	-30.5	0	0	0	112.1
347	E	30	Very low	34.5	Very low	141 Å²	141	127.7 Å²	127.7	66%	0.659	77%	0.77	S	S	*	*			cis	-155.1	174.6	-0.6	-116.6	-145.8	166.2	0	0	106.3
348	R	31.2	Very low	34.4	Very low	157 Å²	157	125.9 Å²	125.9	59%	0.592	77%	0.767	S	S	*	*			cis	-164.4	146.9	-7	143.9	173.3	-65.4	-73.3	-11.5	110.4	E350	R348-E350 IonicContact CZ-OE2 3.85Å; R348-E350 IonicContact NH1-OE1 2.84Å; R348-E350 PolarHBondContact NH1-OE1 3.44Å; R348-E350 IonicContact NH1-OE2 3.04Å; R348-E350 PolarHBondContact NH1-OE2 3.13Å
349	G	27.1	Very low	34.4	Very low	62 Å²	62	127 Å²	127	64%	0.639	77%	0.773	S	S	*	*			trans	66.4	168.3	138.4	0	0	0	0	0	121.4
350	E	32.4	Very low	34.3	Very low	149 Å²	149	125.7 Å²	125.7	70%	0.696	78%	0.776	S	S	*	*			cis	-167.9	146.7	-22.7	-122.1	153.2	-177.7	0	0	111.3	R348	R348-E350 IonicContact CZ-OE2 3.85Å; R348-E350 IonicContact NH1-OE1 2.84Å; R348-E350 PolarHBondContact NH1-OE1 3.44Å; R348-E350 IonicContact NH1-OE2 3.04Å; R348-E350 PolarHBondContact NH1-OE2 3.13Å
351	E	31.5	Very low	34.5	Very low	199 Å²	199	128.2 Å²	128.2	93%	0.93	78%	0.775	S	S	*	*			trans	65.4	172.2	160.4	-56.5	-159.2	128.6	0	0	122.5
352	E	29.9	Very low	35.7	Very low	181 Å²	181	128.4 Å²	128.4	85%	0.846	77%	0.768	S	S	*	*			trans	-132.4	-143.3	-159	-156.5	-152.5	164.4	0	0	113.7
353	P	59.8	Low	35.6	Very low	95 Å²	95	126 Å²	126	62%	0.617	76%	0.761	S	S	*	*			trans	-105.7	178.5	-135.3	46.3	-31.6	0	0	0	114.2
354	P	48.4	Very low	35.7	Very low	131 Å²	131	124.1 Å²	124.1	85%	0.851	75%	0.751	S	S	*	*				-155.4	-169.9	73.5	40.5	-16.9	0	0	0	117
355	A	32	Very low	36.1	Very low	88 Å²	88	128.3 Å²	128.3	73%	0.727	75%	0.748	S	S	*	*			trans	-103.8	173.5	174.1	0	0	0	0	0	112.8
356	P	48.8	Very low	36	Very low	110 Å²	110	126.5 Å²	126.5	71%	0.714	73%	0.734	S	S	*	*				-164	-172.9	85.9	44.9	-23.5	0	0	0	119.2
357	T	29.8	Very low	35.1	Very low	136 Å²	136	125.9 Å²	125.9	83%	0.834	73%	0.732	S	S	*	*			trans	69.7	150.8	156.6	54.2	0	0	0	0	121.9
358	A	32.5	Very low	35	Very low	76 Å²	76	126.8 Å²	126.8	63%	0.628	74%	0.738	S	S	*	*			cis	-172.7	169	-19.4	0	0	0	0	0	113.6
359	N	29.8	Very low	34.9	Very low	165 Å²	165	125.5 Å²	125.5	88%	0.882	75%	0.748	S	S	*	*			trans	77.2	145.6	162.2	-57.9	-21.5	0	0	0	118.9
360	A	29	Very low	34.9	Very low	104 Å²	104	130.3 Å²	130.3	86%	0.86	75%	0.754	S	S	*	*			cis	-148.3	172.8	3	0	0	0	0	0	113.6
361	D	31.6	Very low	35.2	Very low	153 Å²	153	128.4 Å²	128.4	82%	0.818	75%	0.754	S	S	*	*			trans	-114.3	-174.3	-173.4	-126.8	-28.9	0	0	0	111.5
362	P	54.7	Low	35	Very low	99 Å²	99	126.6 Å²	126.6	64%	0.643	75%	0.746	S	S	*	*			cis	-155.4	-175.7	42.4	46.3	-24.1	0	0	0	120.9
363	D	31.4	Very low	34.9	Very low	133 Å²	133	123.5 Å²	123.5	71%	0.711	74%	0.744	S	S	*	*			trans	76.3	136.3	151.2	-70.4	-9.9	0	0	0	120.8
364	N	33.7	Very low	33.4	Very low	126 Å²	126	125.3 Å²	125.3	67%	0.674	75%	0.754	S	S	*	*			cis	-162.3	150.6	-4.6	-126	-38.1	0	0	0	114.2
365	E	33.3	Very low	32.9	Very low	170 Å²	170	124.2 Å²	124.2	79%	0.794	75%	0.746	S	S	*	*			trans	46.1	144.2	148.7	-75.5	-75.5	79.3	0	0	123
366	A	29.4	Very low	32.6	Very low	62 Å²	62	126.1 Å²	126.1	51%	0.512	75%	0.753	S	S	.	*			cis	-161.9	145.6	-1.9	0	0	0	0	0	113.5
367	S	30.3	Very low	31.9	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	76%	0.758	S	S	*	*			trans	44.7	149.3	131.7	104.9	0	0	0	0	122.7
368	M	28.8	Very low	32.4	Very low	160 Å²	160	125.9 Å²	125.9	79%	0.788	76%	0.756	S	S	*	*			cis	-155.4	133	8.5	-94.5	-142.8	-176.4	0	0	114.4
369	T	28.1	Very low	32	Very low	130 Å²	130	128.6 Å²	128.6	80%	0.798	77%	0.765	S	S	*	*				76.3	148.9	129.8	65.3	0	0	0	0	126.3
370	Q	28.7	Very low	32	Very low	164 Å²	164	131.8 Å²	131.8	77%	0.766	77%	0.765	S	S	*	*			trans	-97.1	-169.3	-177	-100.1	-175.7	17.2	0	0	111.9
371	P	38.2	Very low	31.9	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	76%	0.755	S	S	*	*			cis	-149.3	162.1	22.9	43.9	-22.1	0	0	0	122.2
372	Q	27.1	Very low	31.5	Very low	161 Å²	161	131.8 Å²	131.8	75%	0.752	75%	0.754	S	S	*	*			trans	38.1	140.1	135.9	-58.9	-176.2	-12.9	0	0	126.2
373	S	27.7	Very low	30.2	Very low	117 Å²	117	133.5 Å²	133.5	82%	0.818	75%	0.753	S	S	*	*			trans	94.6	156.1	135.6	73.2	0	0	0	0	122.6
374	T	28.3	Very low	30	Very low	133 Å²	133	134.4 Å²	134.4	82%	0.816	75%	0.753	S	S	*	*			trans	-110.4	-172.6	-172.5	56.4	0	0	0	0	110.2
375	P	38.8	Very low	29.6	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	76%	0.763	S	S	*	*			cis	-140.5	-171.8	1.6	44.9	-26.3	0	0	0	116.9
376	C	24.3	Very low	29.1	Very low	128 Å²	128	137 Å²	137	87%	0.865	77%	0.765	S	S	*	*			trans	72.5	158	153.6	-69.6	0	0	0	0	121.9
377	S	35.2	Very low	29.6	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	77%	0.772	S	S	*	*			trans	-108.9	158.8	-166.9	-38.7	0	0	0	0	114.5
378	P	38.8	Very low	29.3	Very low	125 Å²	125	142.9 Å²	142.9	81%	0.812	78%	0.776	S	S	*	*			trans	-115.1	-174.6	161.4	37.9	-27.4	0	0	0	114.1
379	V	25.6	Very low	29.2	Very low	133 Å²	133	143 Å²	143	81%	0.806	78%	0.779	S	S	*	*			trans	-138.8	170.2	-161.3	-167.4	0	0	0	0	111.2
380	R	29.1	Very low	29	Very low	232 Å²	232	142.1 Å²	142.1	88%	0.875	78%	0.778	S	S	*	*			trans	91.2	158	159	-59.9	-166.5	174.9	-166	-2.4	118.4
381	T	26.1	Very low	28.8	Very low	106 Å²	106	140 Å²	140	65%	0.65	78%	0.782	S	S	*	*			cis	-177.3	152.7	-26.8	-75.6	0	0	0	0	107.2
382	L	25.1	Very low	28.3	Very low	152 Å²	152	140.3 Å²	140.3	80%	0.796	79%	0.786	S	S	*	*			trans	159.6	133.4	131.6	-85.3	165.9	0	0	0	118.2
383	Q	26.8	Very low	29.4	Very low	134 Å²	134	138 Å²	138	63%	0.626	79%	0.786	S	S	*	*			trans	54.8	109.2	138.7	-116.6	59.1	18	0	0	126.3
384	E	26.4	Very low	29.8	Very low	153 Å²	153	138.9 Å²	138.9	72%	0.715	79%	0.788	S	S	*	*				33	134.9	127.5	-53.2	-179.5	117.8	0	0	123.7
385	L	25	Very low	29.8	Very low	170 Å²	170	144.2 Å²	144.2	89%	0.89	79%	0.793	S	S	*	*				-171.8	162.4	100.6	-96.3	167.2	0	0	0	113.2
386	H	23.7	Very low	29.2	Very low	179 Å²	179	145.1 Å²	145.1	83%	0.829	80%	0.802	S	S	*	*			trans	-130.9	-178.2	-172.1	-97	-65.1	0	0	0	110.3
387	P	40.8	Very low	29.5	Very low	101 Å²	101	144.3 Å²	144.3	66%	0.656	80%	0.798	S	S	*	*			cis	-136.4	174.9	-21.7	30.9	-10.4	0	0	0	115
388	K	23.6	Very low	29.7	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.835	79%	0.794	S	S	*	*				167.4	116.8	118.7	-92.2	-178.1	-179.7	-177.8	0	117.1
389	L	25.1	Very low	29.2	Very low	162 Å²	162	146.3 Å²	146.3	85%	0.848	80%	0.798	S	S	*	*			trans	29.4	121.6	135.5	-64	168.2	0	0	0	123.9
390	S	24.6	Very low	29.3	Very low	111 Å²	111	151.1 Å²	151.1	78%	0.776	80%	0.802	S	S	*	*				71.7	120.8	125.9	-162.5	0	0	0	0	123
391	S	25.2	Very low	29.2	Very low	121 Å²	121	146 Å²	146	85%	0.846	80%	0.801	S	S	*	*				171.7	175.1	116.4	47.3	0	0	0	0	111.8
392	S	28	Very low	29.3	Very low	114 Å²	114	145.8 Å²	145.8	80%	0.797	81%	0.81	S	S	*	*			trans	-135.8	-168.6	-170	70.3	0	0	0	0	113.6
393	P	48.8	Very low	29.3	Very low	113 Å²	113	142 Å²	142	73%	0.734	81%	0.808	S	S	*	*				-92.6	174.6	-120.7	42.7	-36.7	0	0	0	116.5
394	P	37.8	Very low	29.4	Very low	134 Å²	134	142 Å²	142	87%	0.87	82%	0.819	S	S	*	*			trans	-137.8	-179.6	136.3	38	-24.4	0	0	0	115.7
395	R	26.6	Very low	29.4	Very low	245 Å²	245	139.1 Å²	139.1	93%	0.925	82%	0.822	S	S	*	*			trans	-92.4	161.5	-171.1	-52.2	163.3	171.9	167	-5.6	113.7
396	S	26.9	Very low	29.4	Very low	127 Å²	127	142.3 Å²	142.3	89%	0.888	82%	0.824	S	S	*	*				-166.4	157.2	123.7	54.5	0	0	0	0	113.4
397	S	29.8	Very low	29.5	Very low	111 Å²	111	139 Å²	139	78%	0.776	82%	0.821	S	S	*	*			trans	-148.4	154.6	168.7	62.6	0	0	0	0	107.9
398	P	40.8	Very low	28.8	Very low	112 Å²	112	143.9 Å²	143.9	73%	0.727	83%	0.833	S	S	*	*				-158.4	149.6	108.7	34.2	-14	0	0	0	117.1
399	L	27.2	Very low	28.9	Very low	170 Å²	170	144.3 Å²	144.3	89%	0.89	83%	0.834	S	S	*	*				171.1	175.6	109	-108.5	122	0	0	0	112.6
400	R	28.5	Very low	29.1	Very low	235 Å²	235	146.9 Å²	146.9	89%	0.887	84%	0.839	S	S	*	*			trans	-137.3	147.6	-173.1	-55.3	172.2	177.6	169.8	-3.2	112.3
401	S	26.9	Very low	29.2	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	84%	0.839	S	S	*	*			trans	176.5	161.7	140.5	50.7	0	0	0	0	110.1
402	A	27.7	Very low	29.4	Very low	102 Å²	102	149 Å²	149	84%	0.843	84%	0.839	S	S	*	*			cis	-157.6	141.2	-42.2	0	0	0	0	0	107.1
403	G	24.6	Very low	29.3	Very low	73 Å²	73	151.4 Å²	151.4	75%	0.753	84%	0.842	S	S	*	*			trans	-120.8	141.3	-177.1	0	0	0	0	0	113
404	P	29.9	Very low	28.3	Very low	133 Å²	133	153.5 Å²	153.5	86%	0.864	85%	0.847	S	S	*	*			trans	-79.8	149.3	174.7	33.4	-34.1	0	0	0	111.7
405	A	26.1	Very low	27.8	Very low	94 Å²	94	155.6 Å²	155.6	78%	0.777	85%	0.85	S	S	*	*			trans	-119.9	149.6	175.6	0	0	0	0	0	110.7
406	Y	25.6	Very low	27.8	Very low	236 Å²	236	149.5 Å²	149.5	93%	0.925	84%	0.839	S	S	*	*			trans	-135.6	154.7	169.8	-101.1	-85.1	0	0	0	112
407	S	25.1	Very low	28	Very low	110 Å²	110	149.3 Å²	149.3	77%	0.769	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-96.5	148.1	-159.6	-171.3	0	0	0	0	114.4	K409	S407-K409 PolarHBondContact O-N 2.88Å
408	F	25.4	Very low	28.2	Very low	204 Å²	204	154.8 Å²	154.8	90%	0.895	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-68.4	122.8	171.4	-88.9	-98.3	0	0	0	111.5
409	K	27.3	Very low	27.8	Very low	201 Å²	201	159.3 Å²	159.3	87%	0.874	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-98.3	134.5	160.4	-78.6	-172.9	175.2	-178.9	0	110.1	S407	S407-K409 PolarHBondContact O-N 2.88Å
410	K	28.7	Very low	28.2	Very low	215 Å²	215	160.9 Å²	160.9	94%	0.935	85%	0.85	S	S	*	*			trans	-90.1	106.3	-176.1	-167.7	178.2	-174.2	-178.7	0	109.6
411	A	27.1	Very low	28.8	Very low	95 Å²	95	156.8 Å²	156.8	79%	0.785	84%	0.839	S	S	*	*			trans	-88	135	175.8	0	0	0	0	0	111
412	Q	27.9	Very low	29.6	Very low	182 Å²	182	158.8 Å²	158.8	85%	0.85	83%	0.834	S	S	*	*			trans	-105.8	104.7	-176	179.7	174.2	-14.2	0	0	109.6
413	L	26.8	Very low	30.9	Very low	165 Å²	165	157 Å²	157	86%	0.864	82%	0.816	S	S	*	*			trans	-93.2	122.4	176.6	-84.4	166.6	0	0	0	111	L415	L413-L415 PolarHBondContact O-N 3.28Å
414	L	27	Very low	33.2	Very low	157 Å²	157	158.6 Å²	158.6	82%	0.822	80%	0.803	S	S	*	*			trans	-73.6	117.6	173	-75.4	160.3	0	0	0	109.9	T416	L414-T416 PolarHBondContact O-N 3.25Å
415	L	27.3	Very low	35.8	Very low	178 Å²	178	157.2 Å²	157.2	93%	0.932	78%	0.782	S	S	*	*			trans	-76	104.1	177.1	-74.9	166.3	0	0	0	110.6	L413	L413-L415 PolarHBondContact O-N 3.28Å
416	T	26.4	Very low	38.8	Very low	116 Å²	116	155.3 Å²	155.3	71%	0.712	75%	0.754	S	S	*	*			trans	-95.2	121.5	161.8	51	0	0	0	0	109.3	L414 R418	L414-T416 PolarHBondContact O-N 3.25Å; T416-R418 PolarHBondContact O-N 3.44Å
417	S	32.3	Very low	42	Very low	124 Å²	124	144.1 Å²	144.1	87%	0.867	71%	0.711	S	S	*	*			trans	-80.5	59.4	-170.6	44.4	0	0	0	0	113.3	K419	S417-K419 PolarHBondContact O-N 3.37Å; S417-K419 VanDerWaalsContact O-N 3.12Å
418	R	33.7	Very low	45.2	Very low	225 Å²	225	139.6 Å²	139.6	85%	0.849	68%	0.679	S	S	*	*			trans	-64.4	111.6	168.6	-72.5	-173.6	173.7	-172.3	-2.3	109.6	T416 K420	T416-R418 PolarHBondContact O-N 3.44Å; R418-K420 PolarHBondContact O-N 3.29Å; R418-K420 VanDerWaalsContact O-N 3.16Å
419	K	33.1	Very low	48.5	Very low	207 Å²	207	130 Å²	130	90%	0.9	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-53.5	119.7	164.1	-69.3	-178.9	179.6	178.7	0	107.7	S417 K421	S417-K419 PolarHBondContact O-N 3.37Å; S417-K419 VanDerWaalsContact O-N 3.12Å; K419-K421 PolarHBondContact O-N 3.14Å
420	K	35.7	Very low	51.7	Low	203 Å²	203	120.9 Å²	120.9	88%	0.883	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.4	169.7	-76.9	-173	173	-174.2	0	107.8	R418 Q422	R418-K420 PolarHBondContact O-N 3.29Å; R418-K420 VanDerWaalsContact O-N 3.16Å; K420-Q422 PolarHBondContact O-N 2.73Å
421	K	40.5	Very low	54.8	Low	150 Å²	150	112.1 Å²	112.1	65%	0.652	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-55.8	137.4	156.9	-83	-162.1	169	-159.3	0	107.5	E239 K419 S423	E239-K421 WeakPolarHBondContact OE2-CE 3.5Å; E239-K421 IonicContact OE2-NZ 2.64Å; E239-K421 PolarHBondContact OE2-NZ 2.81Å; K419-K421 PolarHBondContact O-N 3.14Å; K421-S423 PolarHBondContact O-N 2.81Å
422	Q	42.9	Very low	58.1	Low	164 Å²	164	107.6 Å²	107.6	77%	0.766	52%	0.524	S	S	*	.			trans	-72.3	115.9	163.9	-74.1	174.3	-43.6	0	0	106.6	K420 H424	K420-Q422 PolarHBondContact O-N 2.73Å; Q422-H424 PolarHBondContact O-N 2.85Å
423	S	55.9	Low	61.5	Low	66 Å²	66	99 Å²	99	46%	0.462	48%	0.484	S	S	.	.			trans	-72.5	110.9	171.3	49.5	0	0	0	0	107.9	K421 Y425	K421-S423 PolarHBondContact O-N 2.81Å; S423-Y425 WeakPolarHBondContact O-CD2 3.28Å; S423-Y425 VanDerWaalsContact O-CE2 3.31Å; S423-Y425 WeakPolarHBondContact O-CE2 3.4Å; S423-Y425 VanDerWaalsContact OG-CE2 3.3Å; S423-Y425 WeakPolarHBondContact OG-CE2 3.5Å; S423-Y425 PolarHBondContact OG-OH 3.19Å
424	H	73.1	Confident	64.8	Low	105 Å²	105	92.4 Å²	92.4	49%	0.486	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	150.6	168.4	-74.8	-92.3	0	0	0	109.5	L237 Q422	L237-H424 HydrophobicContact CB-CB 3.91Å; L237-H424 HydrophobicContact CD1-CB 4.06Å; L237-H424 PolarHBondContact N-O 3.5Å; Q422-H424 PolarHBondContact O-N 2.85Å
425	Y	84.2	Confident	68.1	Low	104 Å²	104	85 Å²	85	41%	0.408	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.6	-180	-71.2	-80	0	0	0	109.7	K234 E235 P236 S423	K234-Y425 HydrophobicContact CB-CD1 4.42Å; K234-Y425 HydrophobicContact CD-CD1 4.03Å; K234-Y425 HydrophobicContact CD-CG 4Å; K234-Y425 HydrophobicContact CG-CD1 4.18Å; E235-Y425 CarbonylContact O-C 3.49Å; E235-Y425 VanDerWaalsContact O-CA 3.28Å; E235-Y425 WeakPolarHBondContact O-CA 3.11Å; E235-Y425 WeakPolarHBondContact O-CD1 3.47Å; P236-Y425 HydrophobicContact CB-CD1 4.47Å; P236-Y425 HydrophobicContact CB-CE1 4.23Å; S423-Y425 WeakPolarHBondContact O-CD2 3.28Å; S423-Y425 VanDerWaalsContact O-CE2 3.31Å; S423-Y425 WeakPolarHBondContact O-CE2 3.4Å; S423-Y425 VanDerWaalsContact OG-CE2 3.3Å; S423-Y425 WeakPolarHBondContact OG-CE2 3.5Å; S423-Y425 PolarHBondContact OG-OH 3.19Å
426	R	88.2	Confident	71.4	Confident	54 Å²	54	77.1 Å²	77.1	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.8	177.4	176.5	-180	160.9	-122.5	-35.5	109	K234 E235 L237 D431 E701 H718	K234-R426 CarbonylContact C-O 3.5Å; K234-R426 WeakPolarHBondContact CA-O 3.37Å; E235-R426 PolarHBondContact N-O 2.91Å; E235-R426 PolarHBondContact O-N 2.78Å; L237-R426 HydrophobicContact CD1-CB 3.91Å; L237-R426 HydrophobicContact CD2-CB 3.78Å; L237-R426 HydrophobicContact CD2-CG 4.49Å; L237-R426 HydrophobicContact CG-CB 3.7Å; R426-D431 WeakPolarHBondContact CD-OD1 3.26Å; R426-D431 VanDerWaalsContact CG-OD1 3.23Å; R426-D431 WeakPolarHBondContact CG-OD1 3.46Å; R426-D431 IonicContact CZ-OD1 2.84Å; R426-D431 IonicContact CZ-OD2 3.19Å; R426-D431 VanDerWaalsContact CZ-OD2 3.3Å; R426-D431 IonicContact NE-OD1 2.67Å; R426-D431 PolarHBondContact NE-OD1 3.41Å; R426-D431 IonicContact NE-OD2 3.63Å; R426-D431 PolarHBondContact NE-OD2 3.35Å; R426-D431 IonicContact NH2-OD1 3.73Å; R426-D431 IonicContact NH2-OD2 3.56Å; R426-D431 PolarHBondContact NH2-OD2 3.23Å; R426-E701 IonicContact CZ-OE1 2.76Å; R426-E701 IonicContact NH2-OE1 3.54Å; R426-E701 PolarHBondContact NH2-OE1 3.49Å; R426-H718 PolarHBondContact NH1-NE2 3.08Å
427	S	92.7	Very high	74.7	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.014	34%	0.341	C	S	.	.			trans	-142.7	170.5	170.1	66.4	0	0	0	0	109.6	H230 L233 I429 S430 D431	H230-S427 PolarHBondContact ND1-OG 3.46Å; H230-S427 VanDerWaalsContact ND1-OG 3.15Å; L233-S427 VanDerWaalsContact O-CB 3.31Å; L233-S427 WeakPolarHBondContact O-CB 3.41Å; S427-I429 PolarHBondContact O-N 2.89Å; S427-I429 PolarHBondContact OG-N 2.8Å; S427-S430 PolarHBondContact N-OG 3.17Å; S427-S430 PolarHBondContact O-N 3.22Å; S427-S430 VanDerWaalsContact O-N 3.1Å; S427-S430 PolarHBondContact O-OG 3.14Å; S427-S430 PolarHBondContact OG-N 2.65Å; S427-D431 PolarHBondContact O-N 3.03Å
428	V	92.6	Very high	77.7	Confident	15 Å²	15	67.5 Å²	67.5	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-53.2	-33.7	169	63.9	0	0	0	0	112.4	F153 L233 D431 I432	F153-V428 HydrophobicContact CB-CG2 4Å; F153-V428 HydrophobicContact CD1-CB 4.05Å; F153-V428 HydrophobicContact CD1-CG1 3.94Å; F153-V428 HydrophobicContact CD1-CG2 3.75Å; F153-V428 HydrophobicContact CD2-CB 4.29Å; F153-V428 HydrophobicContact CD2-CG2 3.92Å; F153-V428 HydrophobicContact CE1-CB 3.93Å; F153-V428 HydrophobicContact CE1-CG1 3.67Å; F153-V428 HydrophobicContact CE1-CG2 4.16Å; F153-V428 HydrophobicContact CE2-CB 4.17Å; F153-V428 HydrophobicContact CE2-CG2 4.31Å; F153-V428 HydrophobicContact CG-CB 4.23Å; F153-V428 HydrophobicContact CG-CG2 3.61Å; F153-V428 HydrophobicContact CZ-CB 4Å; F153-V428 HydrophobicContact CZ-CG1 4.12Å; F153-V428 HydrophobicContact CZ-CG2 4.43Å; L233-V428 HydrophobicContact CD1-CG1 3.78Å; V428-D431 PolarHBondContact O-N 3.36Å; V428-I432 HydrophobicContact CG2-CD1 3.58Å; V428-I432 HydrophobicContact CG2-CG1 4.33Å; V428-I432 WeakPolarHBondContact O-CB 3.42Å; V428-I432 WeakPolarHBondContact O-CD1 3.21Å; V428-I432 WeakPolarHBondContact O-CG1 3.14Å; V428-I432 PolarHBondContact O-N 2.91Å; V428-I432 VanDerWaalsContact O-N 3.12Å
429	I	95.7	Very high	80.6	Confident	1 Å²	1	57 Å²	57	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-43	178.7	-56.1	-57.3	0	0	0	110.8	L150 M226 L229 H230 S427 I432 F433	L150-I429 HydrophobicContact CD1-CD1 3.73Å; M226-I429 HydrophobicContact CB-CG2 4.06Å; L229-I429 HydrophobicContact CB-CD1 3.9Å; L229-I429 HydrophobicContact CB-CG1 3.77Å; L229-I429 HydrophobicContact CD1-CD1 4.21Å; H230-I429 HydrophobicContact CB-CB 4.06Å; H230-I429 HydrophobicContact CB-CG1 4.4Å; H230-I429 HydrophobicContact CB-CG2 4.19Å; S427-I429 PolarHBondContact O-N 2.89Å; S427-I429 PolarHBondContact OG-N 2.8Å; I429-I432 PolarHBondContact O-N 2.78Å; I429-F433 HydrophobicContact CG2-CD2 4.11Å; I429-F433 WeakPolarHBondContact O-CB 3.49Å; I429-F433 PolarHBondContact O-N 3.23Å
430	S	94.8	Very high	83.5	Confident	11 Å²	11	49.5 Å²	49.5	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-73.4	-27.9	177.1	60.8	0	0	0	0	113.5	S427 I432 D434	S427-S430 PolarHBondContact N-OG 3.17Å; S427-S430 PolarHBondContact O-N 3.22Å; S427-S430 VanDerWaalsContact O-N 3.1Å; S427-S430 PolarHBondContact O-OG 3.14Å; S427-S430 PolarHBondContact OG-N 2.65Å; S430-I432 VanDerWaalsContact C-N 3.33Å; S430-D434 VanDerWaalsContact CA-CG 3.43Å; S430-D434 VanDerWaalsContact CB-CG 3.48Å; S430-D434 WeakPolarHBondContact CB-OD2 3.41Å; S430-D434 WeakPolarHBondContact O-CB 3.5Å; S430-D434 PolarHBondContact O-N 3.45Å
431	D	93.8	Very high	86.3	Confident	30 Å²	30	40.8 Å²	40.8	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-66.9	-38.3	174.4	-73.1	-3.1	0	0	0	111	R426 S427 V428 K705 F709	R426-D431 WeakPolarHBondContact CD-OD1 3.26Å; R426-D431 VanDerWaalsContact CG-OD1 3.23Å; R426-D431 WeakPolarHBondContact CG-OD1 3.46Å; R426-D431 IonicContact CZ-OD1 2.84Å; R426-D431 IonicContact CZ-OD2 3.19Å; R426-D431 VanDerWaalsContact CZ-OD2 3.3Å; R426-D431 IonicContact NE-OD1 2.67Å; R426-D431 PolarHBondContact NE-OD1 3.41Å; R426-D431 IonicContact NE-OD2 3.63Å; R426-D431 PolarHBondContact NE-OD2 3.35Å; R426-D431 IonicContact NH2-OD1 3.73Å; R426-D431 IonicContact NH2-OD2 3.56Å; R426-D431 PolarHBondContact NH2-OD2 3.23Å; S427-D431 PolarHBondContact O-N 3.03Å; V428-D431 PolarHBondContact O-N 3.36Å; D431-K705 IonicContact OD2-NZ 2.64Å; D431-K705 PolarHBondContact OD2-NZ 3.43Å; D431-F709 HydrophobicContact CB-CE2 4.48Å; D431-F709 HydrophobicContact CB-CZ 4.32Å
432	I	96.6	Very high	88.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-85.8	-50.9	-176.6	-62.6	169.9	0	0	0	112.2	P149 L150 V428 I429 S430 E564 I565 F709	P149-I432 HydrophobicContact CB-CD1 3.67Å; P149-I432 HydrophobicContact CB-CG1 3.72Å; P149-I432 HydrophobicContact CB-CG2 4.21Å; L150-I432 HydrophobicContact CB-CD1 3.92Å; L150-I432 HydrophobicContact CD1-CD1 3.99Å; V428-I432 HydrophobicContact CG2-CD1 3.58Å; V428-I432 HydrophobicContact CG2-CG1 4.33Å; V428-I432 WeakPolarHBondContact O-CB 3.42Å; V428-I432 WeakPolarHBondContact O-CD1 3.21Å; V428-I432 WeakPolarHBondContact O-CG1 3.14Å; V428-I432 PolarHBondContact O-N 2.91Å; V428-I432 VanDerWaalsContact O-N 3.12Å; I429-I432 PolarHBondContact O-N 2.78Å; S430-I432 VanDerWaalsContact C-N 3.33Å; I432-E564 WeakPolarHBondContact O-CB 3.46Å; I432-E564 PolarHBondContact O-N 3.27Å; I432-I565 HydrophobicContact CG2-CB 3.89Å; I432-I565 HydrophobicContact CG2-CG1 3.57Å; I432-I565 PolarHBondContact O-N 3.08Å; I432-F709 HydrophobicContact CG1-CE1 4.35Å; I432-F709 HydrophobicContact CG1-CZ 3.82Å
433	F	97.5	Very high	91.5	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-20.5	-164.1	-59.5	-76.7	0	0	0	115.1	L144 L150 M226 I429 G435 Q457 P563 I565 C567 F667	L144-F433 HydrophobicContact CD2-CE1 4.4Å; L144-F433 HydrophobicContact CD2-CZ 3.83Å; L150-F433 HydrophobicContact CD1-CE2 4.39Å; L150-F433 HydrophobicContact CD2-CE2 4.17Å; L150-F433 HydrophobicContact CD2-CZ 4.23Å; M226-F433 HydrophobicContact SD-CD1 4.31Å; M226-F433 HydrophobicContact SD-CD2 4.16Å; M226-F433 HydrophobicContact SD-CE2 4.41Å; M226-F433 HydrophobicContact SD-CG 4.1Å; I429-F433 HydrophobicContact CG2-CD2 4.11Å; I429-F433 WeakPolarHBondContact O-CB 3.49Å; I429-F433 PolarHBondContact O-N 3.23Å; F433-G435 PolarHBondContact O-N 2.95Å; F433-G435 VanDerWaalsContact O-N 3.1Å; F433-Q457 HydrophobicContact CB-CG 4.28Å; F433-P563 WeakPolarHBondContact O-CB 3.49Å; F433-I565 HydrophobicContact CD1-CB 3.95Å; F433-I565 HydrophobicContact CD1-CG2 4.15Å; F433-I565 HydrophobicContact CE1-CB 3.77Å; F433-I565 HydrophobicContact CE1-CG1 4.47Å; F433-I565 HydrophobicContact CE1-CG2 3.71Å; F433-C567 VanDerWaalsContact CD1-SG 3.54Å; F433-F667 HydrophobicContact CE1-CD1 4.41Å; F433-F667 HydrophobicContact CE1-CE1 4.32Å
434	D	96.7	Very high	93.3	Very high	28 Å²	28	29.3 Å²	29.3	15%	0.15	14%	0.143	C	C	.	.			trans	-76.9	103.9	-176.9	-70.7	9	0	0	0	111.5	S430 F456 Q457 K561	S430-D434 VanDerWaalsContact CA-CG 3.43Å; S430-D434 VanDerWaalsContact CB-CG 3.48Å; S430-D434 WeakPolarHBondContact CB-OD2 3.41Å; S430-D434 WeakPolarHBondContact O-CB 3.5Å; S430-D434 PolarHBondContact O-N 3.45Å; D434-F456 WeakPolarHBondContact CA-O 3.23Å; D434-Q457 WeakPolarHBondContact OD1-CG 3.44Å; D434-Q457 PolarHBondContact OD1-NE2 2.79Å; D434-K561 PolarHBondContact O-NZ 2.81Å
435	G	96.3	Very high	94.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	178.5	160.8	0	0	0	0	0	111.8	F433 T455 F456 K561	F433-G435 PolarHBondContact O-N 2.95Å; F433-G435 VanDerWaalsContact O-N 3.1Å; G435-T455 WeakPolarHBondContact O-CA 3.06Å; G435-F456 PolarHBondContact N-O 2.97Å; G435-F456 PolarHBondContact O-N 3.49Å; G435-K561 CarbonylContact C-O 3.55Å; G435-K561 VanDerWaalsContact CA-O 3.28Å; G435-K561 WeakPolarHBondContact CA-O 3.45Å
436	S	96.8	Very high	94.8	Very high	13 Å²	13	24 Å²	24	9%	0.091	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.3	169.1	66.4	0	0	0	0	113.5	E454 F456 L560 K561	S436-E454 CarbonylContact C-O 3.47Å; S436-E454 VanDerWaalsContact CA-O 3.24Å; S436-E454 WeakPolarHBondContact CA-O 3.37Å; S436-F456 VanDerWaalsContact N-CE1 3.33Å; S436-L560 PolarHBondContact O-N 3.02Å; S436-K561 PolarHBondContact N-O 3.13Å; S436-K561 PolarHBondContact O-N 2.92Å; S436-K561 WeakPolarHBondContact OG-CB 3.47Å; S436-K561 PolarHBondContact OG-N 2.84Å
437	I	96.1	Very high	95	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.077	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.4	177	-71.9	164.5	0	0	0	109.2	V453 E454 F456 L459 F530 F531 C557 K558	I437-V453 WeakPolarHBondContact O-CA 3.49Å; I437-E454 PolarHBondContact N-O 3Å; I437-E454 PolarHBondContact O-N 2.71Å; I437-F456 HydrophobicContact CD1-CD1 3.86Å; I437-F456 HydrophobicContact CD1-CE1 4.23Å; I437-F456 HydrophobicContact CD1-CG 4.48Å; I437-F456 HydrophobicContact CG1-CD1 3.74Å; I437-F456 HydrophobicContact CG1-CE1 3.81Å; I437-L459 HydrophobicContact CD1-CD2 3.94Å; I437-F530 HydrophobicContact CD1-CE1 3.99Å; I437-F530 HydrophobicContact CD1-CZ 4.24Å; I437-F531 HydrophobicContact CD1-CE1 4.43Å; I437-F531 HydrophobicContact CG1-CE1 4.43Å; I437-C557 HydrophobicContact CG2-CB 4.22Å; I437-K558 CarbonylContact C-O 3.55Å; I437-K558 WeakPolarHBondContact CA-O 3.48Å
438	L	95.7	Very high	95	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.12	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.7	165.6	-169.2	68.5	0	0	0	108.7	L440 T451 V453 K558 L560 A601	L438-L440 HydrophobicContact CD2-CD1 3.98Å; L438-L440 HydrophobicContact CG-CD1 3.88Å; L438-L440 HydrophobicContact CG-CG 4.35Å; L438-T451 HydrophobicContact CD1-CG2 3.43Å; L438-T451 VanDerWaalsContact CD1-CG2 3.43Å; L438-T451 HydrophobicContact CG-CG2 4.18Å; L438-V453 HydrophobicContact CD1-CG2 3.82Å; L438-K558 PolarHBondContact N-O 3.41Å; L438-K558 PolarHBondContact O-N 3.08Å; L438-L560 HydrophobicContact CB-CB 4.27Å; L438-A601 HydrophobicContact CD2-CB 4.04Å
439	S	94.3	Very high	95.1	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.5	172.7	-81.5	0	0	0	0	109.2	T451 T452 E454 K555	S439-T451 WeakPolarHBondContact O-CA 3.4Å; S439-T452 PolarHBondContact N-O 3.43Å; S439-T452 PolarHBondContact O-N 2.97Å; S439-E454 PolarHBondContact OG-OE2 3.42Å; S439-K555 WeakPolarHBondContact OG-CE 3.42Å; S439-K555 PolarHBondContact OG-NZ 2.95Å
440	L	93.6	Very high	94.9	Very high	50 Å²	50	34.1 Å²	34.1	26%	0.262	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.7	174.3	-54.5	96.5	0	0	0	110.1	L438 V449 S450 T451 K555 Y556	L438-L440 HydrophobicContact CD2-CD1 3.98Å; L438-L440 HydrophobicContact CG-CD1 3.88Å; L438-L440 HydrophobicContact CG-CG 4.35Å; L440-V449 HydrophobicContact CB-CG1 4.11Å; L440-V449 HydrophobicContact CD2-CG1 4.27Å; L440-S450 CarbonylContact C-O 3.59Å; L440-S450 WeakPolarHBondContact CA-O 3.3Å; L440-T451 HydrophobicContact CG-CG2 4.4Å; L440-K555 CarbonylContact O-C 3.53Å; L440-K555 VanDerWaalsContact O-CA 3.3Å; L440-K555 WeakPolarHBondContact O-CA 3.36Å; L440-Y556 PolarHBondContact N-O 3.28Å; L440-Y556 PolarHBondContact O-N 2.85Å
441	V	95.1	Very high	94.8	Very high	20 Å²	20	37.5 Å²	37.5	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	111.5	179	-171.9	0	0	0	0	110.7	V449 S450 L536 Y542 V554 K555	V441-V449 WeakPolarHBondContact O-CA 3.29Å; V441-S450 PolarHBondContact N-O 3.12Å; V441-S450 PolarHBondContact O-N 2.96Å; V441-L536 HydrophobicContact CG1-CD1 3.77Å; V441-Y542 HydrophobicContact CB-CE2 4.27Å; V441-Y542 HydrophobicContact CG1-CD1 4.01Å; V441-Y542 HydrophobicContact CG1-CD2 3.8Å; V441-Y542 HydrophobicContact CG1-CE1 3.83Å; V441-Y542 HydrophobicContact CG1-CE2 3.57Å; V441-Y542 HydrophobicContact CG1-CG 4Å; V441-V554 WeakPolarHBondContact CA-O 3.11Å; V441-K555 HydrophobicContact CG2-CB 4.16Å; V441-K555 HydrophobicContact CG2-CG 4.04Å
442	Q	95.5	Very high	94.8	Very high	61 Å²	61	39.5 Å²	39.5	29%	0.285	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.8	176.1	-176.2	176.8	-9.6	0	0	111.4	D447 V449 G553 V554	Q442-D447 PolarHBondContact NE2-OD1 2.89Å; Q442-V449 HydrophobicContact CB-CG2 4.21Å; Q442-V449 HydrophobicContact CG-CG2 4.28Å; Q442-G553 WeakPolarHBondContact O-CA 3.48Å; Q442-V554 PolarHBondContact N-O 3.22Å; Q442-V554 PolarHBondContact O-N 3.29Å; Q442-V554 VanDerWaalsContact O-N 3.15Å
443	C	95.5	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.7	173.5	-169.8	0	0	0	0	112	T445 C446 D447 R448 Y542	C443-T445 PolarHBondContact O-N 3.47Å; C443-C446 PolarHBondContact O-N 2.91Å; C443-C446 PolarHBondContact SG-SG 3.28Å; C443-D447 WeakPolarHBondContact O-CA 3.48Å; C443-D447 PolarHBondContact O-N 3.28Å; C443-R448 PolarHBondContact N-O 3.17Å; C443-Y542 VanDerWaalsContact CA-OH 3.26Å; C443-Y542 WeakPolarHBondContact CA-OH 3.28Å; C443-Y542 WeakPolarHBondContact CB-OH 3.26Å; C443-Y542 PolarHBondContact N-OH 2.74Å
444	L	94.6	Very high	94.6	Very high	78 Å²	78	47.5 Å²	47.5	41%	0.408	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	31.3	175.6	-60	178.2	0	0	0	113.4	N552 V554	L444-N552 HydrophobicContact CB-CB 4.43Å; L444-N552 HydrophobicContact CD1-CB 4.37Å; L444-N552 PolarHBondContact N-O 3.18Å; L444-N552 VanDerWaalsContact N-O 3.1Å; L444-V554 HydrophobicContact CD1-CG2 4.05Å; L444-V554 HydrophobicContact CD2-CG2 4.21Å; L444-V554 HydrophobicContact CG-CG2 4.36Å
445	T	93.8	Very high	94.5	Very high	76 Å²	76	51.5 Å²	51.5	47%	0.466	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.4	-12.6	-179	-50	0	0	0	0	113	C443	C443-T445 PolarHBondContact O-N 3.47Å
446	C	94.3	Very high	94.5	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.155	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.8	13.1	176.3	69.2	0	0	0	0	113.8	C443 R448 R546 C547	C443-C446 PolarHBondContact O-N 2.91Å; C443-C446 PolarHBondContact SG-SG 3.28Å; C446-R448 PolarHBondContact O-N 2.72Å; C446-R546 PolarHBondContact O-NH1 2.77Å; C446-C547 VanDerWaalsContact SG-SG 3.65Å
447	D	94.2	Very high	94.5	Very high	107 Å²	107	52.8 Å²	52.8	57%	0.572	29%	0.29	S	S	*	.			trans	52.5	8.9	173.2	-56	-68.4	0	0	0	117.2	Q442 C443 V449	Q442-D447 PolarHBondContact NE2-OD1 2.89Å; C443-D447 WeakPolarHBondContact O-CA 3.48Å; C443-D447 PolarHBondContact O-N 3.28Å; D447-V449 PolarHBondContact O-N 3.42Å
448	R	92.5	Very high	94.5	Very high	89 Å²	89	53 Å²	53	34%	0.336	29%	0.291	S	S	.	.			trans	-66.2	119.3	168.9	-179.5	172.2	175.5	-155.2	-16	108.9	C443 C446 E545	C443-R448 PolarHBondContact N-O 3.17Å; C446-R448 PolarHBondContact O-N 2.72Å; R448-E545 IonicContact CZ-OE2 2.71Å; R448-E545 VanDerWaalsContact NH1-CB 3.31Å; R448-E545 IonicContact NH1-OE2 3.98Å; R448-E545 PolarHBondContact NH1-OE2 3.09Å; R448-E545 VanDerWaalsContact NH2-CD 3.29Å; R448-E545 IonicContact NH2-OE1 2.76Å; R448-E545 PolarHBondContact NH2-OE1 3.26Å; R448-E545 IonicContact NH2-OE2 2.96Å; R448-E545 PolarHBondContact NH2-OE2 2.71Å
449	V	92.9	Very high	94.5	Very high	69 Å²	69	52 Å²	52	42%	0.418	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	131.6	160	-175.2	0	0	0	0	108.3	L440 V441 Q442 D447	L440-V449 HydrophobicContact CB-CG1 4.11Å; L440-V449 HydrophobicContact CD2-CG1 4.27Å; V441-V449 WeakPolarHBondContact O-CA 3.29Å; Q442-V449 HydrophobicContact CB-CG2 4.21Å; Q442-V449 HydrophobicContact CG-CG2 4.28Å; D447-V449 PolarHBondContact O-N 3.42Å
450	S	92.3	Very high	94.6	Very high	18 Å²	18	52.9 Å²	52.9	13%	0.126	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.7	162.6	-78.7	0	0	0	0	108.6	L440 V441 E545	L440-S450 CarbonylContact C-O 3.59Å; L440-S450 WeakPolarHBondContact CA-O 3.3Å; V441-S450 PolarHBondContact N-O 3.12Å; V441-S450 PolarHBondContact O-N 2.96Å; S450-E545 PolarHBondContact OG-OE1 3.42Å
451	T	93.2	Very high	94.7	Very high	83 Å²	83	50.5 Å²	50.5	51%	0.509	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.9	-175.9	-54.8	0	0	0	0	109.7	L438 S439 L440	L438-T451 HydrophobicContact CD1-CG2 3.43Å; L438-T451 VanDerWaalsContact CD1-CG2 3.43Å; L438-T451 HydrophobicContact CG-CG2 4.18Å; S439-T451 WeakPolarHBondContact O-CA 3.4Å; L440-T451 HydrophobicContact CG-CG2 4.4Å
452	T	94.2	Very high	94.7	Very high	72 Å²	72	51.8 Å²	51.8	44%	0.442	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.6	177.9	-49.7	0	0	0	0	108.9	S439 E454	S439-T452 PolarHBondContact N-O 3.43Å; S439-T452 PolarHBondContact O-N 2.97Å; T452-E454 HydrophobicContact CG2-CG 3.9Å
453	V	95.5	Very high	94.5	Very high	81 Å²	81	49.1 Å²	49.1	49%	0.491	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.9	168.2	179.9	0	0	0	0	108.4	I437 L438 L560	I437-V453 WeakPolarHBondContact O-CA 3.49Å; L438-V453 HydrophobicContact CD1-CG2 3.82Å; V453-L560 HydrophobicContact CG1-CD2 3.88Å; V453-L560 HydrophobicContact CG2-CD2 3.85Å
454	E	93.9	Very high	94.2	Very high	88 Å²	88	49.8 Å²	49.8	41%	0.411	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.7	-175.3	-64.5	168.3	151.4	0	0	108.3	S436 I437 S439 T452	S436-E454 CarbonylContact C-O 3.47Å; S436-E454 VanDerWaalsContact CA-O 3.24Å; S436-E454 WeakPolarHBondContact CA-O 3.37Å; I437-E454 PolarHBondContact N-O 3Å; I437-E454 PolarHBondContact O-N 2.71Å; S439-E454 PolarHBondContact OG-OE2 3.42Å; T452-E454 HydrophobicContact CG2-CG 3.9Å
455	T	95.1	Very high	93.7	Very high	112 Å²	112	47.3 Å²	47.3	69%	0.687	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	148.7	175.2	46.6	0	0	0	0	111.3	G435	G435-T455 WeakPolarHBondContact O-CA 3.06Å
456	F	95.6	Very high	93	Very high	21 Å²	21	52.3 Å²	52.3	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.1	177	71.9	-92.1	0	0	0	111.6	D434 G435 S436 I437 L459 P563 L566	D434-F456 WeakPolarHBondContact CA-O 3.23Å; G435-F456 PolarHBondContact N-O 2.97Å; G435-F456 PolarHBondContact O-N 3.49Å; S436-F456 VanDerWaalsContact N-CE1 3.33Å; I437-F456 HydrophobicContact CD1-CD1 3.86Å; I437-F456 HydrophobicContact CD1-CE1 4.23Å; I437-F456 HydrophobicContact CD1-CG 4.48Å; I437-F456 HydrophobicContact CG1-CD1 3.74Å; I437-F456 HydrophobicContact CG1-CE1 3.81Å; F456-L459 HydrophobicContact CD1-CD2 4.21Å; F456-L459 HydrophobicContact CD2-CD2 3.56Å; F456-L459 HydrophobicContact CD2-CG 3.95Å; F456-L459 HydrophobicContact CE1-CD2 4.22Å; F456-L459 HydrophobicContact CE2-CD1 4.28Å; F456-L459 HydrophobicContact CE2-CD2 3.59Å; F456-L459 HydrophobicContact CE2-CG 3.67Å; F456-L459 HydrophobicContact CG-CD2 3.89Å; F456-L459 HydrophobicContact CZ-CD1 4.45Å; F456-L459 HydrophobicContact CZ-CD2 3.93Å; F456-L459 HydrophobicContact CZ-CG 4.23Å; F456-P563 HydrophobicContact CE2-CG 4.35Å; F456-L566 HydrophobicContact CE2-CD1 3.92Å; F456-L566 HydrophobicContact CZ-CD1 4.45Å
457	Q	95.7	Very high	92.2	Very high	20 Å²	20	58.1 Å²	58.1	9%	0.093	31%	0.314	C	S	.	.	S	Bend	trans	-108.3	-21.1	169.8	-74.2	174.1	1.1	0	0	112.6	M226 F433 D434 C567	M226-Q457 HydrophobicContact CE-CB 4.03Å; F433-Q457 HydrophobicContact CB-CG 4.28Å; D434-Q457 WeakPolarHBondContact OD1-CG 3.44Å; D434-Q457 PolarHBondContact OD1-NE2 2.79Å; Q457-C567 WeakPolarHBondContact O-CB 3.43Å
458	D	96.2	Very high	91.4	Very high	18 Å²	18	56.2 Å²	56.2	10%	0.096	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.5	172.8	76.8	-80.7	0	0	0	111.2	Q219 R223 S460 C567	Q219-D458 PolarHBondContact NE2-OD2 2.76Å; R223-D458 WeakPolarHBondContact CD-OD1 3.31Å; R223-D458 IonicContact CZ-OD1 2.62Å; R223-D458 IonicContact NE-OD1 2.67Å; R223-D458 IonicContact NH1-OD1 3.27Å; R223-D458 PolarHBondContact NH1-OD1 2.86Å; D458-S460 PolarHBondContact OD2-OG 2.88Å; D458-C567 WeakPolarHBondContact CA-O 3.31Å; D458-C567 HydrophobicContact CB-CB 4.13Å
459	L	97.1	Very high	90.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	99.1	167	-64.9	-174.5	0	0	0	109.5	I437 F456 L461 L527 F530 F531 L566 C567 H569 M596	I437-L459 HydrophobicContact CD1-CD2 3.94Å; F456-L459 HydrophobicContact CD1-CD2 4.21Å; F456-L459 HydrophobicContact CD2-CD2 3.56Å; F456-L459 HydrophobicContact CD2-CG 3.95Å; F456-L459 HydrophobicContact CE1-CD2 4.22Å; F456-L459 HydrophobicContact CE2-CD1 4.28Å; F456-L459 HydrophobicContact CE2-CD2 3.59Å; F456-L459 HydrophobicContact CE2-CG 3.67Å; F456-L459 HydrophobicContact CG-CD2 3.89Å; F456-L459 HydrophobicContact CZ-CD1 4.45Å; F456-L459 HydrophobicContact CZ-CD2 3.93Å; F456-L459 HydrophobicContact CZ-CG 4.23Å; L459-L461 HydrophobicContact CB-CD2 4.04Å; L459-L461 HydrophobicContact CB-CG 4.48Å; L459-L461 PolarHBondContact O-N 2.71Å; L459-L461 VanDerWaalsContact O-N 3.17Å; L459-L527 HydrophobicContact CD1-CD2 4.27Å; L459-F530 HydrophobicContact CD2-CE1 4.2Å; L459-F530 HydrophobicContact CD2-CZ 4.34Å; L459-F531 HydrophobicContact CD1-CE2 4.46Å; L459-F531 HydrophobicContact CD1-CZ 4.29Å; L459-L566 HydrophobicContact CD1-CD1 3.98Å; L459-L566 HydrophobicContact CG-CD1 4.18Å; L459-C567 PolarHBondContact N-O 3.41Å; L459-H569 PolarHBondContact O-N 2.79Å; L459-M596 HydrophobicContact CD1-CE 4.24Å
460	S	96.6	Very high	90.1	Very high	23 Å²	23	51.8 Å²	51.8	16%	0.161	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	86.6	174.7	-77.3	0	0	0	0	111.4	Q219 D458 H569 K571	Q219-S460 PolarHBondContact NE2-OG 2.9Å; Q219-S460 VanDerWaalsContact NE2-OG 3.1Å; D458-S460 PolarHBondContact OD2-OG 2.88Å; S460-H569 CarbonylContact C-O 3.59Å; S460-H569 WeakPolarHBondContact CA-O 3.42Å; S460-H569 PolarHBondContact OG-ND1 2.85Å; S460-K571 VanDerWaalsContact O-CE 3.26Å; S460-K571 WeakPolarHBondContact O-CE 3.31Å; S460-K571 PolarHBondContact O-NZ 3.31Å
461	L	95.7	Very high	89.4	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	142.9	-173.6	-53.5	-179.6	0	0	0	113.2	L459 L523 C526 L527 F530 I568 H569 L570 K571	L459-L461 HydrophobicContact CB-CD2 4.04Å; L459-L461 HydrophobicContact CB-CG 4.48Å; L459-L461 PolarHBondContact O-N 2.71Å; L459-L461 VanDerWaalsContact O-N 3.17Å; L461-L523 HydrophobicContact CD1-CD1 4.04Å; L461-C526 HydrophobicContact CB-CB 4.2Å; L461-C526 HydrophobicContact CD1-CB 3.96Å; L461-L527 HydrophobicContact CD1-CD2 3.79Å; L461-L527 HydrophobicContact CD1-CG 3.84Å; L461-L527 HydrophobicContact CD2-CD2 3.96Å; L461-F530 HydrophobicContact CD2-CB 3.59Å; L461-F530 HydrophobicContact CD2-CD1 4.14Å; L461-F530 HydrophobicContact CD2-CD2 3.93Å; L461-F530 HydrophobicContact CD2-CG 3.63Å; L461-I568 HydrophobicContact CD1-CG2 3.44Å; L461-I568 VanDerWaalsContact CD1-CG2 3.44Å; L461-I568 HydrophobicContact CG-CG2 3.8Å; L461-H569 PolarHBondContact N-O 2.82Å; L461-L570 HydrophobicContact CB-CD2 4.27Å; L461-L570 HydrophobicContact CD1-CD2 4.34Å; L461-K571 VanDerWaalsContact O-CB 3.28Å; L461-K571 WeakPolarHBondContact O-CB 3.39Å; L461-K571 WeakPolarHBondContact O-CG 3.46Å; L461-K571 PolarHBondContact O-N 2.85Å
462	P	93.3	Very high	88.5	Confident	47 Å²	47	53.1 Å²	53.1	31%	0.305	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.3	166.6	33.5	-32.2	0	0	0	110.7	P464 A529	P462-P464 WeakPolarHBondContact O-CD 3.38Å; P462-A529 HydrophobicContact CG-CB 4.22Å
463	I	92.2	Very high	87.7	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-83.1	118.3	165.6	-56	175	0	0	0	107.7	V521 L570 R572 R574 I583 V587	I463-V521 HydrophobicContact CG2-CG1 4.4Å; I463-L570 HydrophobicContact CD1-CB 4.31Å; I463-L570 HydrophobicContact CG1-CB 4.41Å; I463-R572 HydrophobicContact CD1-CG 3.75Å; I463-R574 PolarHBondContact O-NH2 3.1Å; I463-I583 HydrophobicContact CB-CD1 4.46Å; I463-I583 HydrophobicContact CD1-CB 4.31Å; I463-I583 HydrophobicContact CD1-CG2 3.85Å; I463-I583 HydrophobicContact CG2-CG2 4.27Å; I463-V587 HydrophobicContact CD1-CG2 4.12Å; I463-V587 HydrophobicContact CG1-CG2 4.29Å; I463-V587 HydrophobicContact CG2-CG2 4.05Å
464	P	88.9	Confident	86.5	Confident	15 Å²	15	51.7 Å²	51.7	10%	0.097	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-70.2	147.6	-178	27.8	-34.2	0	0	0	112.4	P462 D468 L469 L472 V521 D525 C526	P462-P464 WeakPolarHBondContact O-CD 3.38Å; P464-D468 HydrophobicContact CB-CB 4.12Å; P464-L469 HydrophobicContact CG-CD1 4.46Å; P464-L472 HydrophobicContact CB-CD1 4.3Å; P464-V521 HydrophobicContact CG-CG1 3.95Å; P464-D525 HydrophobicContact CG-CB 4.46Å; P464-C526 VanDerWaalsContact CD-SG 3.6Å
465	G	83.8	Confident	85	Confident	26 Å²	26	49.9 Å²	49.9	27%	0.268	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-77.4	167.1	169.2	0	0	0	0	0	112.1	E467 D468 L469	G465-E467 PolarHBondContact O-N 3.36Å; G465-D468 PolarHBondContact N-OD2 2.85Å; G465-D468 PolarHBondContact O-N 3.17Å; G465-L469 WeakPolarHBondContact O-CB 3.27Å; G465-L469 PolarHBondContact O-N 2.77Å
466	K	79.4	Confident	83.2	Confident	181 Å²	181	49 Å²	49	79%	0.787	27%	0.267	S	S	*	.	H	α-helix	trans	-53.6	-38.7	177.8	-68.8	-175.9	177.5	-179.2	0	113	A470	K466-A470 PolarHBondContact O-N 2.89Å
467	E	77.6	Confident	81	Confident	145 Å²	145	54.7 Å²	54.7	68%	0.678	29%	0.294	S	S	*	.	H	α-helix	trans	-70.4	-38	176.5	-64.3	-178.1	-163.4	0	0	112.8	G465 A470 K471	G465-E467 PolarHBondContact O-N 3.36Å; E467-A470 PolarHBondContact O-N 3.49Å; E467-K471 VanDerWaalsContact O-CE 3.3Å; E467-K471 WeakPolarHBondContact O-CE 3.39Å; E467-K471 VanDerWaalsContact O-CG 3.28Å; E467-K471 WeakPolarHBondContact O-CG 3.41Å; E467-K471 PolarHBondContact O-N 3.39Å; E467-K471 IonicContact OE2-NZ 3.28Å
468	D	77.3	Confident	78.4	Confident	66 Å²	66	61.3 Å²	61.3	35%	0.353	33%	0.325	S	S	.	.	H	α-helix	trans	-73.4	-37.2	-177.7	-51.4	-45.8	0	0	0	110.9	P464 G465 A470 K471 L472	P464-D468 HydrophobicContact CB-CB 4.12Å; G465-D468 PolarHBondContact N-OD2 2.85Å; G465-D468 PolarHBondContact O-N 3.17Å; D468-A470 VanDerWaalsContact C-N 3.34Å; D468-A470 PolarHBondContact O-N 2.98Å; D468-K471 WeakPolarHBondContact O-CB 3.21Å; D468-K471 PolarHBondContact O-N 3.12Å; D468-K471 IonicContact OD1-NZ 2.76Å; D468-K471 PolarHBondContact OD1-NZ 3.04Å; D468-L472 WeakPolarHBondContact O-CB 3.31Å; D468-L472 VanDerWaalsContact O-CG 3.29Å; D468-L472 WeakPolarHBondContact O-CG 3.38Å; D468-L472 PolarHBondContact O-N 3.39Å
469	L	80.8	Confident	75.4	Confident	4 Å²	4	67 Å²	67	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-58.5	-44.9	170.6	-168.4	63.6	0	0	0	111.5	P464 G465 K471 L472 H473 P519 V521 D525	P464-L469 HydrophobicContact CG-CD1 4.46Å; G465-L469 WeakPolarHBondContact O-CB 3.27Å; G465-L469 PolarHBondContact O-N 2.77Å; L469-K471 PolarHBondContact O-N 2.96Å; L469-L472 PolarHBondContact O-N 3.44Å; L469-H473 WeakPolarHBondContact CD1-NE2 3.19Å; L469-H473 PolarHBondContact O-N 2.85Å; L469-P519 HydrophobicContact CD2-CB 3.8Å; L469-V521 HydrophobicContact CD2-CG2 4.18Å; L469-D525 HydrophobicContact CD1-CB 3.72Å; L469-D525 WeakPolarHBondContact CD1-OD1 3.35Å
470	A	76.9	Confident	72	Confident	61 Å²	61	73 Å²	73	50%	0.504	39%	0.387	S	S	.	.	H	α-helix	trans	-63.3	-38.6	174.6	0	0	0	0	0	112.8	K466 E467 D468 S474	K466-A470 PolarHBondContact O-N 2.89Å; E467-A470 PolarHBondContact O-N 3.49Å; D468-A470 VanDerWaalsContact C-N 3.34Å; D468-A470 PolarHBondContact O-N 2.98Å; A470-S474 WeakPolarHBondContact O-CB 3.36Å; A470-S474 PolarHBondContact O-N 2.91Å; A470-S474 PolarHBondContact O-OG 2.82Å
471	K	77.8	Confident	68.9	Low	107 Å²	107	77 Å²	77	47%	0.465	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-49.4	173.2	-66.4	160.6	-147.4	160.7	0	110.4	E467 D468 L469 S474 S475	E467-K471 VanDerWaalsContact O-CE 3.3Å; E467-K471 WeakPolarHBondContact O-CE 3.39Å; E467-K471 VanDerWaalsContact O-CG 3.28Å; E467-K471 WeakPolarHBondContact O-CG 3.41Å; E467-K471 PolarHBondContact O-N 3.39Å; E467-K471 IonicContact OE2-NZ 3.28Å; D468-K471 WeakPolarHBondContact O-CB 3.21Å; D468-K471 PolarHBondContact O-N 3.12Å; D468-K471 IonicContact OD1-NZ 2.76Å; D468-K471 PolarHBondContact OD1-NZ 3.04Å; L469-K471 PolarHBondContact O-N 2.96Å; K471-S474 PolarHBondContact O-N 2.86Å; K471-S474 PolarHBondContact O-OG 2.97Å; K471-S475 PolarHBondContact O-N 3.33Å
472	L	75.9	Confident	65.7	Low	22 Å²	22	83.4 Å²	83.4	12%	0.115	45%	0.451	C	S	.	.	H	α-helix	trans	-57.5	-54	179.5	-72.2	163.2	0	0	0	111.3	P464 D468 L469 S474 S475 I476 A529 A532	P464-L472 HydrophobicContact CB-CD1 4.3Å; D468-L472 WeakPolarHBondContact O-CB 3.31Å; D468-L472 VanDerWaalsContact O-CG 3.29Å; D468-L472 WeakPolarHBondContact O-CG 3.38Å; D468-L472 PolarHBondContact O-N 3.39Å; L469-L472 PolarHBondContact O-N 3.44Å; L472-S474 VanDerWaalsContact C-N 3.33Å; L472-S474 PolarHBondContact O-N 2.93Å; L472-S475 PolarHBondContact O-N 3.41Å; L472-S475 VanDerWaalsContact O-N 3.1Å; L472-S475 PolarHBondContact O-OG 3.35Å; L472-I476 WeakPolarHBondContact O-CG1 3.37Å; L472-I476 PolarHBondContact O-N 3.22Å; L472-A529 HydrophobicContact CD1-CB 3.82Å; L472-A532 HydrophobicContact CD2-CB 4.49Å
473	H	76.1	Confident	62.6	Low	63 Å²	63	90.5 Å²	90.5	29%	0.292	48%	0.477	S	S	.	.	H	α-helix	trans	-60	-41	179	-64.4	173.2	0	0	0	112.2	L469 S475 I476 H477 D525	L469-H473 WeakPolarHBondContact CD1-NE2 3.19Å; L469-H473 PolarHBondContact O-N 2.85Å; H473-S475 VanDerWaalsContact C-N 3.33Å; H473-S475 PolarHBondContact O-N 3.5Å; H473-I476 PolarHBondContact O-N 2.84Å; H473-H477 PolarHBondContact O-CD2 2.87Å; H473-H477 PolarHBondContact O-N 3.36Å; H473-H477 VanDerWaalsContact O-N 3.13Å; H473-D525 IonicContact CD2-OD1 3.58Å; H473-D525 IonicContact CE1-OD1 2.69Å; H473-D525 IonicContact NE2-OD1 2.7Å; H473-D525 PolarHBondContact NE2-OD1 2.72Å
474	S	71.4	Confident	59.6	Low	60 Å²	60	96.3 Å²	96.3	42%	0.42	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-36.1	175.7	74.8	0	0	0	0	113.1	A470 K471 L472 Q478	A470-S474 WeakPolarHBondContact O-CB 3.36Å; A470-S474 PolarHBondContact O-N 2.91Å; A470-S474 PolarHBondContact O-OG 2.82Å; K471-S474 PolarHBondContact O-N 2.86Å; K471-S474 PolarHBondContact O-OG 2.97Å; L472-S474 VanDerWaalsContact C-N 3.33Å; L472-S474 PolarHBondContact O-N 2.93Å; S474-Q478 WeakPolarHBondContact O-CG 3.49Å; S474-Q478 PolarHBondContact O-N 3.01Å
475	S	61.8	Low	57	Low	51 Å²	51	99 Å²	99	36%	0.357	54%	0.543	S	S	.	.	H	α-helix	trans	-71.9	-35.2	177.8	76.4	0	0	0	0	112.8	K471 L472 H473 Q478 N479	K471-S475 PolarHBondContact O-N 3.33Å; L472-S475 PolarHBondContact O-N 3.41Å; L472-S475 VanDerWaalsContact O-N 3.1Å; L472-S475 PolarHBondContact O-OG 3.35Å; H473-S475 VanDerWaalsContact C-N 3.33Å; H473-S475 PolarHBondContact O-N 3.5Å; S475-Q478 PolarHBondContact O-N 3.23Å; S475-N479 PolarHBondContact O-ND2 2.94Å
476	I	58.2	Low	54.3	Low	93 Å²	93	104.5 Å²	104.5	48%	0.477	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-46.5	175.4	-68.6	164.5	0	0	0	109.9	L472 H473 Q478 N479	L472-I476 WeakPolarHBondContact O-CG1 3.37Å; L472-I476 PolarHBondContact O-N 3.22Å; H473-I476 PolarHBondContact O-N 2.84Å; I476-Q478 VanDerWaalsContact C-N 3.27Å; I476-Q478 PolarHBondContact O-N 2.82Å; I476-N479 PolarHBondContact O-N 3.31Å
477	H	48.2	Very low	52	Low	141 Å²	141	101.4 Å²	101.4	65%	0.653	57%	0.571	S	S	*	*	H	α-helix	trans	-64.3	-26.3	178.2	-74.7	-58.8	0	0	0	114.3	H473 N479	H473-H477 PolarHBondContact O-CD2 2.87Å; H473-H477 PolarHBondContact O-N 3.36Å; H473-H477 VanDerWaalsContact O-N 3.13Å; H477-N479 VanDerWaalsContact C-N 3.31Å; H477-N479 PolarHBondContact O-N 2.96Å
478	Q	40.9	Very low	50	Low	159 Å²	159	100.2 Å²	100.2	74%	0.743	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-12.5	177.1	-73.4	176.8	17.8	0	0	114.2	S474 S475 I476	S474-Q478 WeakPolarHBondContact O-CG 3.49Å; S474-Q478 PolarHBondContact O-N 3.01Å; S475-Q478 PolarHBondContact O-N 3.23Å; I476-Q478 VanDerWaalsContact C-N 3.27Å; I476-Q478 PolarHBondContact O-N 2.82Å
479	N	33.1	Very low	47.7	Very low	137 Å²	137	104 Å²	104	73%	0.733	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	4.6	-178	-82.2	-86.7	0	0	0	114.7	S475 I476 H477 P481	S475-N479 PolarHBondContact O-ND2 2.94Å; I476-N479 PolarHBondContact O-N 3.31Å; H477-N479 VanDerWaalsContact C-N 3.31Å; H477-N479 PolarHBondContact O-N 2.96Å; N479-P481 WeakPolarHBondContact O-CD 3.48Å
480	L	26.8	Very low	45.2	Very low	128 Å²	128	110.6 Å²	110.6	67%	0.67	64%	0.637	S	S	*	*	S	Bend	trans	-83.9	115.4	171.7	-86.5	160.7	0	0	0	110.9	V482	L480-V482 PolarHBondContact O-N 3.06Å
481	P	31	Very low	43	Very low	107 Å²	107	118.7 Å²	118.7	70%	0.695	66%	0.656	S	S	*	*			trans	-72.1	112.8	179.8	28.6	-33.6	0	0	0	110.8	N479 K483	N479-P481 WeakPolarHBondContact O-CD 3.48Å; P481-K483 VanDerWaalsContact C-N 3.28Å; P481-K483 PolarHBondContact O-N 3.18Å
482	V	28.9	Very low	40.7	Very low	135 Å²	135	116.7 Å²	116.7	82%	0.818	67%	0.666	S	S	*	*			trans	-68.5	83.8	173.5	-176.8	0	0	0	0	110	L480 T484	L480-V482 PolarHBondContact O-N 3.06Å; V482-T484 HydrophobicContact CG1-CG2 4.44Å; V482-T484 PolarHBondContact O-N 3.1Å
483	K	27.8	Very low	39	Very low	196 Å²	196	121.1 Å²	121.1	85%	0.852	70%	0.698	S	S	*	*			trans	-81.7	98.5	168	-81.8	-170	173	-177.8	0	109.9	P481 G485	P481-K483 VanDerWaalsContact C-N 3.28Å; P481-K483 PolarHBondContact O-N 3.18Å; K483-G485 PolarHBondContact O-N 3.04Å
484	T	29.2	Very low	37.2	Very low	126 Å²	126	127.5 Å²	127.5	77%	0.773	73%	0.728	S	S	*	*			trans	-64.4	108.9	169.4	47.8	0	0	0	0	111.2	V482	V482-T484 HydrophobicContact CG1-CG2 4.44Å; V482-T484 PolarHBondContact O-N 3.1Å
485	G	33.2	Very low	35.8	Very low	71 Å²	71	126.6 Å²	126.6	73%	0.732	73%	0.729	S	S	*	*			trans	63.6	118.2	149.7	0	0	0	0	0	119.4	K483	K483-G485 PolarHBondContact O-N 3.04Å
486	V	27.3	Very low	34.7	Very low	142 Å²	142	133.2 Å²	133.2	86%	0.861	75%	0.746	S	S	*	*			trans	-178.4	135.5	132.4	143.4	0	0	0	0	107.7
487	C	30.8	Very low	34	Very low	115 Å²	115	133.7 Å²	133.7	78%	0.777	75%	0.748	S	S	*	*			trans	-87	152.9	170.7	-62	0	0	0	0	110.1
488	P	36.3	Very low	34.1	Very low	121 Å²	121	131 Å²	131	79%	0.786	75%	0.746	S	S	*	*				-138.3	162	102.5	38.5	-28.4	0	0	0	114.4
489	D	28.3	Very low	34.4	Very low	146 Å²	146	131.7 Å²	131.7	78%	0.781	74%	0.743	S	S	*	*			trans	-73.6	145.7	-177.9	-49.1	-97.4	0	0	0	114.1
490	T	29.4	Very low	35	Very low	141 Å²	141	128.7 Å²	128.7	87%	0.865	73%	0.726	S	S	*	*			trans	-158.8	129.7	134.5	-65.5	0	0	0	0	108.3
491	Y	30	Very low	35.8	Very low	231 Å²	231	128.5 Å²	128.5	91%	0.906	72%	0.723	S	S	*	*			trans	-90.7	132.9	-178.6	-123.6	-105.2	0	0	0	111.4
492	G	30.1	Very low	36.6	Very low	66 Å²	66	126.2 Å²	126.2	68%	0.68	71%	0.705	S	S	*	*			trans	-150	44.7	-169.1	0	0	0	0	0	115.5	Q494	G492-Q494 PolarHBondContact O-N 3.31Å
493	S	39.3	Very low	37.3	Very low	114 Å²	114	122 Å²	122	80%	0.797	68%	0.682	S	S	*	*			trans	43	68.6	161.9	63.9	0	0	0	0	118.7
494	Q	39.5	Very low	38.3	Very low	197 Å²	197	117 Å²	117	92%	0.921	66%	0.663	S	S	*	*			trans	-125.8	147.9	138.1	-76.3	-157.6	-3.2	0	0	110.1	G492	G492-Q494 PolarHBondContact O-N 3.31Å
495	G	42.3	Very low	39.3	Very low	42 Å²	42	120.1 Å²	120.1	43%	0.433	66%	0.661	S	S	.	*			trans	-76.9	127	-157.8	0	0	0	0	0	114.8	I497 S498	G495-I497 PolarHBondContact O-N 2.96Å; G495-S498 WeakPolarHBondContact O-CB 3.46Å; G495-S498 PolarHBondContact O-N 3.04Å
496	W	37.3	Very low	40	Very low	190 Å²	190	124 Å²	124	72%	0.72	65%	0.653	S	S	*	*	H	α-helix	trans	-43.7	-32.6	162.8	65.8	-55.6	0	0	0	114.1	S498 Y499 I500	W496-S498 VanDerWaalsContact C-N 3.31Å; W496-S498 PolarHBondContact O-N 2.58Å; W496-Y499 PolarHBondContact O-N 3.08Å; W496-I500 HydrophobicContact CD2-CD1 4.25Å; W496-I500 HydrophobicContact CE3-CD1 3.5Å; W496-I500 VanDerWaalsContact CE3-CD1 3.5Å; W496-I500 HydrophobicContact CZ3-CD1 4Å; W496-I500 WeakPolarHBondContact O-CB 3.07Å; W496-I500 VanDerWaalsContact O-CG1 3.31Å; W496-I500 WeakPolarHBondContact O-CG1 3.42Å; W496-I500 PolarHBondContact O-N 3.27Å
497	I	45.2	Very low	40.4	Very low	102 Å²	102	124 Å²	124	52%	0.523	64%	0.642	S	S	.	*	H	α-helix	trans	-60.5	-36.8	175.1	-60.6	167.7	0	0	0	112	G495 I500 M501	G495-I497 PolarHBondContact O-N 2.96Å; I497-I500 PolarHBondContact O-N 3.04Å; I497-M501 HydrophobicContact CG2-CG 4.39Å; I497-M501 WeakPolarHBondContact O-CB 3.43Å; I497-M501 VanDerWaalsContact O-CG 3.24Å; I497-M501 WeakPolarHBondContact O-CG 3.31Å; I497-M501 PolarHBondContact O-N 3.38Å
498	S	49.3	Very low	40.9	Very low	86 Å²	86	122.4 Å²	122.4	60%	0.601	63%	0.629	S	S	*	*	H	α-helix	trans	-66.4	-46.7	174.4	-174	0	0	0	0	110.8	G495 W496 I500 M501 D502	G495-S498 WeakPolarHBondContact O-CB 3.46Å; G495-S498 PolarHBondContact O-N 3.04Å; W496-S498 VanDerWaalsContact C-N 3.31Å; W496-S498 PolarHBondContact O-N 2.58Å; S498-I500 VanDerWaalsContact C-N 3.29Å; S498-I500 PolarHBondContact O-N 3.45Å; S498-M501 PolarHBondContact O-N 2.97Å; S498-D502 VanDerWaalsContact O-CB 3.29Å; S498-D502 WeakPolarHBondContact O-CB 3.21Å; S498-D502 PolarHBondContact O-N 3.31Å
499	Y	46.3	Very low	41.5	Very low	173 Å²	173	121.6 Å²	121.6	68%	0.678	62%	0.622	S	S	*	*	H	α-helix	trans	-62.6	-35.4	176.7	-163.8	-92.4	0	0	0	112.5	W496 S503	W496-Y499 PolarHBondContact O-N 3.08Å; Y499-S503 WeakPolarHBondContact O-CB 3.36Å; Y499-S503 PolarHBondContact O-N 3.02Å; Y499-S503 PolarHBondContact O-OG 2.81Å
500	I	47	Very low	42.3	Very low	74 Å²	74	119 Å²	119	38%	0.379	62%	0.615	S	S	.	*	H	α-helix	trans	-71.6	-42.4	174.1	-71.6	166.3	0	0	0	111.2	W496 I497 S498 S503 I504	W496-I500 HydrophobicContact CD2-CD1 4.25Å; W496-I500 HydrophobicContact CE3-CD1 3.5Å; W496-I500 VanDerWaalsContact CE3-CD1 3.5Å; W496-I500 HydrophobicContact CZ3-CD1 4Å; W496-I500 WeakPolarHBondContact O-CB 3.07Å; W496-I500 VanDerWaalsContact O-CG1 3.31Å; W496-I500 WeakPolarHBondContact O-CG1 3.42Å; W496-I500 PolarHBondContact O-N 3.27Å; I497-I500 PolarHBondContact O-N 3.04Å; S498-I500 VanDerWaalsContact C-N 3.29Å; S498-I500 PolarHBondContact O-N 3.45Å; I500-S503 PolarHBondContact O-N 2.8Å; I500-I504 HydrophobicContact CG2-CD1 3.68Å; I500-I504 HydrophobicContact CG2-CG1 4.37Å; I500-I504 WeakPolarHBondContact O-CB 3.31Å; I500-I504 WeakPolarHBondContact O-CG1 3.48Å; I500-I504 PolarHBondContact O-N 2.85Å
501	M	43.8	Very low	42.7	Very low	124 Å²	124	115.7 Å²	115.7	61%	0.611	60%	0.596	S	S	*	*	H	α-helix	trans	-63.7	-41.8	175.4	-77.8	-73.1	175.4	0	0	112	I497 S498 I504 R505	I497-M501 HydrophobicContact CG2-CG 4.39Å; I497-M501 WeakPolarHBondContact O-CB 3.43Å; I497-M501 VanDerWaalsContact O-CG 3.24Å; I497-M501 WeakPolarHBondContact O-CG 3.31Å; I497-M501 PolarHBondContact O-N 3.38Å; S498-M501 PolarHBondContact O-N 2.97Å; M501-I504 PolarHBondContact O-N 2.85Å; M501-R505 WeakPolarHBondContact O-CB 3.03Å; M501-R505 PolarHBondContact O-N 3.11Å
502	D	48.4	Very low	43.3	Very low	58 Å²	58	110.1 Å²	110.1	31%	0.31	58%	0.581	S	S	.	*	H	α-helix	trans	-67.7	-40.4	175.2	-172.5	30.1	0	0	0	111.5	S498 R505 R506	S498-D502 VanDerWaalsContact O-CB 3.29Å; S498-D502 WeakPolarHBondContact O-CB 3.21Å; S498-D502 PolarHBondContact O-N 3.31Å; D502-R505 PolarHBondContact O-N 2.86Å; D502-R506 VanDerWaalsContact CG-CZ 3.45Å; D502-R506 WeakPolarHBondContact O-CG 3.26Å; D502-R506 PolarHBondContact O-N 3.08Å; D502-R506 IonicContact OD1-CZ 3.19Å; D502-R506 IonicContact OD1-NE 3.94Å; D502-R506 IonicContact OD1-NH1 3.33Å; D502-R506 PolarHBondContact OD1-NH1 2.92Å; D502-R506 IonicContact OD1-NH2 2.72Å; D502-R506 PolarHBondContact OD1-NH2 2.84Å; D502-R506 IonicContact OD2-CZ 3.12Å; D502-R506 IonicContact OD2-NH1 2.68Å; D502-R506 PolarHBondContact OD2-NH1 2.79Å; D502-R506 IonicContact OD2-NH2 2.65Å; D502-R506 PolarHBondContact OD2-NH2 3.2Å
503	S	42.7	Very low	43.7	Very low	48 Å²	48	111.5 Å²	111.5	34%	0.336	58%	0.578	S	S	.	*	H	α-helix	trans	-63.1	-42.3	171.7	-62.6	0	0	0	0	112.2	Y499 I500 R506 F507	Y499-S503 WeakPolarHBondContact O-CB 3.36Å; Y499-S503 PolarHBondContact O-N 3.02Å; Y499-S503 PolarHBondContact O-OG 2.81Å; I500-S503 PolarHBondContact O-N 2.8Å; S503-R506 PolarHBondContact O-N 3.17Å; S503-F507 WeakPolarHBondContact O-CB 3.4Å; S503-F507 PolarHBondContact O-N 3.32Å
504	I	48.8	Very low	43.9	Very low	89 Å²	89	110.7 Å²	110.7	46%	0.456	57%	0.569	S	S	.	*	H	α-helix	trans	-67	-39	175.5	-71.9	167.6	0	0	0	110.3	I500 M501 F507 V508	I500-I504 HydrophobicContact CG2-CD1 3.68Å; I500-I504 HydrophobicContact CG2-CG1 4.37Å; I500-I504 WeakPolarHBondContact O-CB 3.31Å; I500-I504 WeakPolarHBondContact O-CG1 3.48Å; I500-I504 PolarHBondContact O-N 2.85Å; M501-I504 PolarHBondContact O-N 2.85Å; I504-F507 PolarHBondContact O-N 3.17Å; I504-V508 HydrophobicContact CG2-CG2 4.02Å; I504-V508 WeakPolarHBondContact O-CB 3.1Å; I504-V508 VanDerWaalsContact O-CG2 3.28Å; I504-V508 WeakPolarHBondContact O-CG2 3.27Å; I504-V508 PolarHBondContact O-N 3.24Å
505	R	49.3	Very low	44.3	Very low	193 Å²	193	112.8 Å²	112.8	73%	0.728	57%	0.568	S	S	*	*	H	α-helix	trans	-61.8	-47.3	175.6	-168.9	175.3	-175.1	174	1	110.9	M501 D502 V509	M501-R505 WeakPolarHBondContact O-CB 3.03Å; M501-R505 PolarHBondContact O-N 3.11Å; D502-R505 PolarHBondContact O-N 2.86Å; R505-V509 WeakPolarHBondContact O-CB 3.45Å; R505-V509 VanDerWaalsContact O-CG2 3.25Å; R505-V509 WeakPolarHBondContact O-CG2 3.29Å; R505-V509 PolarHBondContact O-N 2.8Å; R505-V509 VanDerWaalsContact O-N 3.14Å
506	R	48.6	Very low	44	Very low	151 Å²	151	119.4 Å²	119.4	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-65.7	-38.2	174.1	-67.1	-168.1	-169.3	94.2	15.5	112.6	D502 S503 S510	D502-R506 VanDerWaalsContact CG-CZ 3.45Å; D502-R506 WeakPolarHBondContact O-CG 3.26Å; D502-R506 PolarHBondContact O-N 3.08Å; D502-R506 IonicContact OD1-CZ 3.19Å; D502-R506 IonicContact OD1-NE 3.94Å; D502-R506 IonicContact OD1-NH1 3.33Å; D502-R506 PolarHBondContact OD1-NH1 2.92Å; D502-R506 IonicContact OD1-NH2 2.72Å; D502-R506 PolarHBondContact OD1-NH2 2.84Å; D502-R506 IonicContact OD2-CZ 3.12Å; D502-R506 IonicContact OD2-NH1 2.68Å; D502-R506 PolarHBondContact OD2-NH1 2.79Å; D502-R506 IonicContact OD2-NH2 2.65Å; D502-R506 PolarHBondContact OD2-NH2 3.2Å; S503-R506 PolarHBondContact O-N 3.17Å; R506-S510 VanDerWaalsContact O-CB 3.24Å; R506-S510 WeakPolarHBondContact O-CB 3.32Å; R506-S510 PolarHBondContact O-N 3.46Å
507	F	35.6	Very low	44.3	Very low	142 Å²	142	120.7 Å²	120.7	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-69.8	-45.1	179.7	-168.7	-103.5	0	0	0	112.2	S503 I504 V509 S510 C511	S503-F507 WeakPolarHBondContact O-CB 3.4Å; S503-F507 PolarHBondContact O-N 3.32Å; I504-F507 PolarHBondContact O-N 3.17Å; F507-V509 PolarHBondContact O-N 2.75Å; F507-S510 CarbonylContact O-C 3.53Å; F507-S510 WeakPolarHBondContact O-CA 3.47Å; F507-S510 PolarHBondContact O-N 3.5Å; F507-C511 VanDerWaalsContact CE1-SG 3.55Å; F507-C511 VanDerWaalsContact CZ-SG 3.56Å; F507-C511 VanDerWaalsContact O-CB 3.27Å; F507-C511 WeakPolarHBondContact O-CB 3.35Å; F507-C511 PolarHBondContact O-N 2.9Å; F507-C511 PolarHBondContact O-SG 2.95Å
508	V	42.1	Very low	44.4	Very low	83 Å²	83	117.8 Å²	117.8	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-63.6	-41.2	176.5	171.4	0	0	0	0	111.1	I504 S510 C511 I512	I504-V508 HydrophobicContact CG2-CG2 4.02Å; I504-V508 WeakPolarHBondContact O-CB 3.1Å; I504-V508 VanDerWaalsContact O-CG2 3.28Å; I504-V508 WeakPolarHBondContact O-CG2 3.27Å; I504-V508 PolarHBondContact O-N 3.24Å; V508-S510 VanDerWaalsContact C-N 3.26Å; V508-S510 PolarHBondContact O-N 3.13Å; V508-C511 PolarHBondContact O-N 3.42Å; V508-I512 PolarHBondContact O-N 3.29Å
509	V	48.1	Very low	45.1	Very low	104 Å²	104	117.6 Å²	117.6	63%	0.63	58%	0.582	S	S	*	*	H	α-helix	trans	-63.8	-31.7	171.9	171.4	0	0	0	0	112	R505 F507	R505-V509 WeakPolarHBondContact O-CB 3.45Å; R505-V509 VanDerWaalsContact O-CG2 3.25Å; R505-V509 WeakPolarHBondContact O-CG2 3.29Å; R505-V509 PolarHBondContact O-N 2.8Å; R505-V509 VanDerWaalsContact O-N 3.14Å; F507-V509 PolarHBondContact O-N 2.75Å
510	S	45.7	Very low	46.6	Very low	91 Å²	91	115.2 Å²	115.2	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-84	-13.5	176.2	-173.2	0	0	0	0	114.9	R506 F507 V508	R506-S510 VanDerWaalsContact O-CB 3.24Å; R506-S510 WeakPolarHBondContact O-CB 3.32Å; R506-S510 PolarHBondContact O-N 3.46Å; F507-S510 CarbonylContact O-C 3.53Å; F507-S510 WeakPolarHBondContact O-CA 3.47Å; F507-S510 PolarHBondContact O-N 3.5Å; V508-S510 VanDerWaalsContact C-N 3.26Å; V508-S510 PolarHBondContact O-N 3.13Å
511	C	38.5	Very low	48.7	Very low	71 Å²	71	112.6 Å²	112.6	48%	0.48	57%	0.566	S	S	.	*	H	α-helix	trans	-107.6	-5.4	-174.6	-72.6	0	0	0	0	114.1	F507 V508 P513	F507-C511 VanDerWaalsContact CE1-SG 3.55Å; F507-C511 VanDerWaalsContact CZ-SG 3.56Å; F507-C511 VanDerWaalsContact O-CB 3.27Å; F507-C511 WeakPolarHBondContact O-CB 3.35Å; F507-C511 PolarHBondContact O-N 2.9Å; F507-C511 PolarHBondContact O-SG 2.95Å; V508-C511 PolarHBondContact O-N 3.42Å; C511-P513 WeakPolarHBondContact O-CD 3.28Å
512	I	40.8	Very low	51.1	Low	115 Å²	115	108.6 Å²	108.6	59%	0.59	55%	0.548	S	S	*	.	S	Bend	trans	-72.8	125.7	157.4	-62.7	171.9	0	0	0	107.3	V508 T514	V508-I512 PolarHBondContact O-N 3.29Å; I512-T514 PolarHBondContact O-N 3.4Å
513	P	38.4	Very low	53.3	Low	95 Å²	95	105.9 Å²	105.9	62%	0.617	53%	0.534	S	S	*	.			trans	-65.2	99.3	-177.1	-25.1	36.1	0	0	0	113.7	C511 W515 F516	C511-P513 WeakPolarHBondContact O-CD 3.28Å; P513-W515 PolarHBondContact O-N 2.83Å; P513-F516 PolarHBondContact O-N 3.28Å; P513-F516 VanDerWaalsContact O-N 3.13Å
514	T	45	Very low	55.8	Low	97 Å²	97	107 Å²	107	60%	0.595	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	8	173.9	49.8	0	0	0	0	114.8	I512 W517	I512-T514 PolarHBondContact O-N 3.4Å; T514-W517 CarbonylContact C-O 3.55Å; T514-W517 VanDerWaalsContact O-O 3.05Å
515	W	48.1	Very low	57.9	Low	241 Å²	241	103.4 Å²	103.4	91%	0.913	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-36.7	168.7	-165.2	-64.6	0	0	0	111.9	P513	P513-W515 PolarHBondContact O-N 2.83Å
516	F	35.7	Very low	60.1	Low	181 Å²	181	94.2 Å²	94.2	79%	0.794	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-32	-175.1	-112.3	-83.9	0	0	0	113.2	P513	P513-F516 PolarHBondContact O-N 3.28Å; P513-F516 VanDerWaalsContact O-N 3.13Å
517	W	42.6	Very low	62.3	Low	217 Å²	217	87 Å²	87	82%	0.822	45%	0.454	S	S	*	.	S	Bend	trans	-129.6	119.9	170.9	-58.2	81.8	0	0	0	106.7	T514	T514-W517 CarbonylContact C-O 3.55Å; T514-W517 VanDerWaalsContact O-O 3.05Å
518	G	48.8	Very low	65.1	Low	41 Å²	41	81.3 Å²	81.3	42%	0.423	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-65.1	167.6	178	0	0	0	0	0	111.9	M520	G518-M520 PolarHBondContact O-N 2.94Å
519	P	62.5	Low	67.5	Low	81 Å²	81	78.7 Å²	78.7	53%	0.526	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-56.9	128.5	-174.5	-21.7	31.9	0	0	0	111.6	L469 V521	L469-P519 HydrophobicContact CD2-CB 3.8Å; P519-V521 PolarHBondContact O-N 3.44Å
520	M	79.3	Confident	69.6	Low	123 Å²	123	76.4 Å²	76.4	61%	0.606	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-65.9	126.4	174.4	-179.3	-179.4	-75.2	0	0	108.7	G518 T522	G518-M520 PolarHBondContact O-N 2.94Å; M520-T522 PolarHBondContact O-N 3.19Å
521	V	90.8	Very high	71.9	Confident	19 Å²	19	72.9 Å²	72.9	12%	0.115	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-73.4	127.2	177.3	-179.6	0	0	0	0	108.8	I463 P464 L469 P519 D525 V587 S588	I463-V521 HydrophobicContact CG2-CG1 4.4Å; P464-V521 HydrophobicContact CG-CG1 3.95Å; L469-V521 HydrophobicContact CD2-CG2 4.18Å; P519-V521 PolarHBondContact O-N 3.44Å; V521-D525 HydrophobicContact CG1-CB 4.45Å; V521-V587 HydrophobicContact CG1-CG1 4.42Å; V521-V587 HydrophobicContact CG1-CG2 4.26Å; V521-V587 CarbonylContact O-C 3.54Å; V521-V587 WeakPolarHBondContact O-CA 3.38Å; V521-S588 PolarHBondContact O-N 3.41Å
522	T	93.7	Very high	74.3	Confident	40 Å²	40	71.3 Å²	71.3	25%	0.245	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-98.7	163.3	174.7	65.3	0	0	0	0	112.1	M520 E524 D525 C526 S588	M520-T522 PolarHBondContact O-N 3.19Å; T522-E524 WeakPolarHBondContact CB-OE2 3.38Å; T522-E524 PolarHBondContact O-N 2.85Å; T522-D525 WeakPolarHBondContact CB-OD2 3.26Å; T522-D525 PolarHBondContact N-OD2 3.31Å; T522-D525 WeakPolarHBondContact O-CB 3.46Å; T522-D525 PolarHBondContact O-N 2.85Å; T522-D525 PolarHBondContact OG1-N 3.06Å; T522-D525 PolarHBondContact OG1-OD2 3.29Å; T522-C526 PolarHBondContact O-N 3.15Å; T522-C526 PolarHBondContact O-SG 2.97Å; T522-S588 CarbonylContact C-O 3.58Å; T522-S588 WeakPolarHBondContact CA-O 3.45Å
523	L	95.4	Very high	76.7	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-62.5	-36.4	171.1	-177.1	60.4	0	0	0	110.8	L461 C526 L527 I568 L570 S588 F589 L594 Y668	L461-L523 HydrophobicContact CD1-CD1 4.04Å; L523-C526 WeakPolarHBondContact O-CB 3.43Å; L523-C526 PolarHBondContact O-N 3.41Å; L523-C526 VanDerWaalsContact O-N 3.11Å; L523-L527 HydrophobicContact CG-CD1 4.44Å; L523-L527 WeakPolarHBondContact O-CG 3.19Å; L523-L527 PolarHBondContact O-N 3.05Å; L523-I568 HydrophobicContact CD1-CD1 4.36Å; L523-I568 HydrophobicContact CD1-CG2 4.15Å; L523-I568 HydrophobicContact CD2-CD1 4.17Å; L523-L570 HydrophobicContact CD1-CD2 4.07Å; L523-S588 PolarHBondContact N-O 3.29Å; L523-F589 HydrophobicContact CB-CB 4.05Å; L523-F589 HydrophobicContact CD2-CB 3.95Å; L523-L594 HydrophobicContact CD2-CD1 4.21Å; L523-L594 HydrophobicContact CD2-CD2 3.93Å; L523-Y668 HydrophobicContact CD2-CE2 3.73Å; L523-Y668 WeakPolarHBondContact CD2-OH 3.47Å
524	E	94	Very high	79.1	Confident	71 Å²	71	68 Å²	68	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-38.2	174.8	-64.2	80.6	175.9	0	0	111.8	T522 C526 L527 A528 L594	T522-E524 WeakPolarHBondContact CB-OE2 3.38Å; T522-E524 PolarHBondContact O-N 2.85Å; E524-C526 VanDerWaalsContact C-N 3.32Å; E524-L527 PolarHBondContact O-N 2.63Å; E524-A528 VanDerWaalsContact O-CB 3.3Å; E524-A528 WeakPolarHBondContact O-CB 3.09Å; E524-A528 PolarHBondContact O-N 3.1Å; E524-L594 HydrophobicContact CG-CD1 4.28Å
525	D	93.1	Very high	81.3	Confident	15 Å²	15	69 Å²	69	8%	0.08	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-37.1	170.2	-65.9	-58.3	0	0	0	111.9	P464 L469 H473 V521 T522 A528 A529	P464-D525 HydrophobicContact CG-CB 4.46Å; L469-D525 HydrophobicContact CD1-CB 3.72Å; L469-D525 WeakPolarHBondContact CD1-OD1 3.35Å; H473-D525 IonicContact CD2-OD1 3.58Å; H473-D525 IonicContact CE1-OD1 2.69Å; H473-D525 IonicContact NE2-OD1 2.7Å; H473-D525 PolarHBondContact NE2-OD1 2.72Å; V521-D525 HydrophobicContact CG1-CB 4.45Å; T522-D525 WeakPolarHBondContact CB-OD2 3.26Å; T522-D525 PolarHBondContact N-OD2 3.31Å; T522-D525 WeakPolarHBondContact O-CB 3.46Å; T522-D525 PolarHBondContact O-N 2.85Å; T522-D525 PolarHBondContact OG1-N 3.06Å; T522-D525 PolarHBondContact OG1-OD2 3.29Å; D525-A528 PolarHBondContact O-N 3.42Å; D525-A529 WeakPolarHBondContact O-CB 3.42Å; D525-A529 PolarHBondContact O-N 3.08Å
526	C	95.4	Very high	83.4	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.7	-35.2	178.6	-59.4	0	0	0	0	111.7	L461 P464 T522 L523 E524 F530 L570	L461-C526 HydrophobicContact CB-CB 4.2Å; L461-C526 HydrophobicContact CD1-CB 3.96Å; P464-C526 VanDerWaalsContact CD-SG 3.6Å; T522-C526 PolarHBondContact O-N 3.15Å; T522-C526 PolarHBondContact O-SG 2.97Å; L523-C526 WeakPolarHBondContact O-CB 3.43Å; L523-C526 PolarHBondContact O-N 3.41Å; L523-C526 VanDerWaalsContact O-N 3.11Å; E524-C526 VanDerWaalsContact C-N 3.32Å; C526-F530 WeakPolarHBondContact O-CB 3.38Å; C526-F530 PolarHBondContact O-N 2.89Å; C526-F530 VanDerWaalsContact O-N 3.12Å; C526-L570 HydrophobicContact CB-CD2 4.47Å
527	L	95.4	Very high	86	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-44.6	170.2	-72	163.8	0	0	0	111.1	L459 L461 L523 E524 A529 F530 F531 L594 M596 F599	L459-L527 HydrophobicContact CD1-CD2 4.27Å; L461-L527 HydrophobicContact CD1-CD2 3.79Å; L461-L527 HydrophobicContact CD1-CG 3.84Å; L461-L527 HydrophobicContact CD2-CD2 3.96Å; L523-L527 HydrophobicContact CG-CD1 4.44Å; L523-L527 WeakPolarHBondContact O-CG 3.19Å; L523-L527 PolarHBondContact O-N 3.05Å; E524-L527 PolarHBondContact O-N 2.63Å; L527-A529 VanDerWaalsContact C-N 3.31Å; L527-A529 PolarHBondContact O-N 3.43Å; L527-F530 PolarHBondContact O-N 3.11Å; L527-F530 VanDerWaalsContact O-N 3.12Å; L527-F531 HydrophobicContact CD2-CE2 4.06Å; L527-F531 VanDerWaalsContact O-CD2 3.26Å; L527-F531 WeakPolarHBondContact O-CD2 3.43Å; L527-F531 PolarHBondContact O-N 3.26Å; L527-L594 HydrophobicContact CD1-CD1 4.23Å; L527-M596 HydrophobicContact CD1-SD 3.91Å; L527-M596 HydrophobicContact CD2-CE 4.15Å; L527-M596 HydrophobicContact CD2-SD 4.29Å; L527-F599 HydrophobicContact CB-CD2 4.23Å; L527-F599 HydrophobicContact CB-CE1 3.99Å; L527-F599 HydrophobicContact CB-CE2 3.67Å; L527-F599 HydrophobicContact CB-CZ 3.53Å; L527-F599 HydrophobicContact CD1-CD2 4.43Å; L527-F599 HydrophobicContact CD1-CE2 3.92Å; L527-F599 HydrophobicContact CG-CE2 4.35Å
528	A	93.2	Very high	88.2	Confident	22 Å²	22	46.2 Å²	46.2	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-37.6	175.3	0	0	0	0	0	112.4	E524 D525 A532 F599	E524-A528 VanDerWaalsContact O-CB 3.3Å; E524-A528 WeakPolarHBondContact O-CB 3.09Å; E524-A528 PolarHBondContact O-N 3.1Å; D525-A528 PolarHBondContact O-N 3.42Å; A528-A532 PolarHBondContact O-N 3.32Å; A528-A532 VanDerWaalsContact O-N 3.11Å; A528-F599 HydrophobicContact CB-CE1 4.31Å
529	A	92	Very high	90	Very high	27 Å²	27	52.1 Å²	52.1	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-38.8	172.3	0	0	0	0	0	112.6	P462 L472 D525 L527	P462-A529 HydrophobicContact CG-CB 4.22Å; L472-A529 HydrophobicContact CD1-CB 3.82Å; D525-A529 WeakPolarHBondContact O-CB 3.42Å; D525-A529 PolarHBondContact O-N 3.08Å; L527-A529 VanDerWaalsContact C-N 3.31Å; L527-A529 PolarHBondContact O-N 3.43Å
530	F	93.3	Very high	91.3	Very high	56 Å²	56	53.3 Å²	53.3	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-75.7	-32.9	-179.9	-178	-91.1	0	0	0	113.7	I437 L459 L461 C526 L527	I437-F530 HydrophobicContact CD1-CE1 3.99Å; I437-F530 HydrophobicContact CD1-CZ 4.24Å; L459-F530 HydrophobicContact CD2-CE1 4.2Å; L459-F530 HydrophobicContact CD2-CZ 4.34Å; L461-F530 HydrophobicContact CD2-CB 3.59Å; L461-F530 HydrophobicContact CD2-CD1 4.14Å; L461-F530 HydrophobicContact CD2-CD2 3.93Å; L461-F530 HydrophobicContact CD2-CG 3.63Å; C526-F530 WeakPolarHBondContact O-CB 3.38Å; C526-F530 PolarHBondContact O-N 2.89Å; C526-F530 VanDerWaalsContact O-N 3.12Å; L527-F530 PolarHBondContact O-N 3.11Å; L527-F530 VanDerWaalsContact O-N 3.12Å
531	F	93.6	Very high	91.8	Very high	17 Å²	17	50.9 Å²	50.9	8%	0.075	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.8	177.8	-64.8	-67.2	0	0	0	113.7	I437 L459 L527 C557 V559 F599	I437-F531 HydrophobicContact CD1-CE1 4.43Å; I437-F531 HydrophobicContact CG1-CE1 4.43Å; L459-F531 HydrophobicContact CD1-CE2 4.46Å; L459-F531 HydrophobicContact CD1-CZ 4.29Å; L527-F531 HydrophobicContact CD2-CE2 4.06Å; L527-F531 VanDerWaalsContact O-CD2 3.26Å; L527-F531 WeakPolarHBondContact O-CD2 3.43Å; L527-F531 PolarHBondContact O-N 3.26Å; F531-C557 HydrophobicContact CD1-CB 3.85Å; F531-C557 WeakPolarHBondContact CD1-O 3.42Å; F531-C557 HydrophobicContact CE1-CB 4.35Å; F531-V559 HydrophobicContact CE1-CG2 3.8Å; F531-V559 HydrophobicContact CE2-CG2 4.09Å; F531-V559 HydrophobicContact CZ-CG2 3.35Å; F531-F599 HydrophobicContact CB-CD1 3.96Å; F531-F599 HydrophobicContact CD2-CB 3.68Å; F531-F599 AromaticContact CD2-CD1 3.51Å; F531-F599 HydrophobicContact CD2-CD1 3.51Å; F531-F599 HydrophobicContact CD2-CE1 4.35Å; F531-F599 AromaticContact CD2-CG 3.66Å; F531-F599 HydrophobicContact CD2-CG 3.66Å; F531-F599 HydrophobicContact CE2-CB 3.87Å; F531-F599 HydrophobicContact CE2-CD1 4.39Å; F531-F599 HydrophobicContact CE2-CG 4.11Å; F531-F599 HydrophobicContact CG-CB 4.2Å; F531-F599 HydrophobicContact CG-CD1 4.04Å; F531-F599 HydrophobicContact CG-CG 4.41Å
532	A	90.3	Very high	91.8	Very high	38 Å²	38	51.6 Å²	51.6	31%	0.314	29%	0.29	S	S	.	.	S	Bend	trans	-66.1	169	170.2	0	0	0	0	0	112	L472 A528	L472-A532 HydrophobicContact CD2-CB 4.49Å; A528-A532 PolarHBondContact O-N 3.32Å; A528-A532 VanDerWaalsContact O-N 3.11Å
533	A	89.3	Confident	91.8	Very high	55 Å²	55	53.7 Å²	53.7	46%	0.455	31%	0.306	S	S	.	.			trans	-84.1	114.2	175.7	0	0	0	0	0	110.8	V554 K555 Y556	A533-V554 HydrophobicContact CB-CG1 3.96Å; A533-K555 CarbonylContact C-O 3.58Å; A533-K555 WeakPolarHBondContact CA-O 3.28Å; A533-Y556 HydrophobicContact CB-CD1 3.82Å; A533-Y556 HydrophobicContact CB-CE1 3.55Å
534	D	89.6	Confident	91.7	Very high	87 Å²	87	53.7 Å²	53.7	47%	0.465	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.9	-179.3	-94.4	-27.6	0	0	0	111	L536 V554 K555	D534-L536 PolarHBondContact O-N 2.69Å; D534-V554 CarbonylContact O-C 3.59Å; D534-V554 WeakPolarHBondContact O-CA 3.2Å; D534-K555 HydrophobicContact CB-CB 4Å; D534-K555 PolarHBondContact N-O 3.01Å; D534-K555 PolarHBondContact O-N 3.45Å
535	E	91.2	Very high	91.5	Very high	116 Å²	116	55 Å²	55	54%	0.542	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	104.1	174.6	-65.9	-154	120.8	0	0	112	K537	E535-K537 HydrophobicContact CB-CD 4.22Å; E535-K537 HydrophobicContact CB-CG 4.39Å; E535-K537 VanDerWaalsContact CD-CE 3.47Å; E535-K537 PolarHBondContact O-N 2.94Å; E535-K537 VanDerWaalsContact OE1-CE 3.29Å; E535-K537 WeakPolarHBondContact OE1-CE 3.31Å; E535-K537 IonicContact OE1-NZ 2.71Å; E535-K537 PolarHBondContact OE1-NZ 3.42Å; E535-K537 WeakPolarHBondContact OE2-CE 3.34Å; E535-K537 IonicContact OE2-NZ 3.98Å; E535-K537 PolarHBondContact OE2-NZ 2.7Å
536	L	91.8	Very high	91.5	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.168	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	87.4	178	-56.7	-172.7	0	0	0	109.9	V441 D534 N540 Y542 N552 G553 K555	V441-L536 HydrophobicContact CG1-CD1 3.77Å; D534-L536 PolarHBondContact O-N 2.69Å; L536-N540 WeakPolarHBondContact CB-O 3.22Å; L536-Y542 HydrophobicContact CD1-CD1 4.26Å; L536-Y542 HydrophobicContact CD1-CG 4.2Å; L536-N552 CarbonylContact O-C 3.57Å; L536-N552 WeakPolarHBondContact O-CA 3.4Å; L536-G553 PolarHBondContact N-O 3.27Å; L536-G553 PolarHBondContact O-N 2.86Å; L536-K555 HydrophobicContact CD1-CB 4.16Å; L536-K555 HydrophobicContact CG-CB 4.31Å
537	K	90.2	Very high	91.3	Very high	86 Å²	86	63.8 Å²	63.8	37%	0.374	35%	0.349	S	S	.	.			trans	-130.8	158.4	-176.5	-65	176.4	-177	169.9	0	112.1	E535 D539 N540 N552	E535-K537 HydrophobicContact CB-CD 4.22Å; E535-K537 HydrophobicContact CB-CG 4.39Å; E535-K537 VanDerWaalsContact CD-CE 3.47Å; E535-K537 PolarHBondContact O-N 2.94Å; E535-K537 VanDerWaalsContact OE1-CE 3.29Å; E535-K537 WeakPolarHBondContact OE1-CE 3.31Å; E535-K537 IonicContact OE1-NZ 2.71Å; E535-K537 PolarHBondContact OE1-NZ 3.42Å; E535-K537 WeakPolarHBondContact OE2-CE 3.34Å; E535-K537 IonicContact OE2-NZ 3.98Å; E535-K537 PolarHBondContact OE2-NZ 2.7Å; K537-D539 PolarHBondContact O-N 2.62Å; K537-N540 WeakPolarHBondContact O-CB 3.41Å; K537-N540 PolarHBondContact O-N 3.27Å; K537-N552 HydrophobicContact CG-CB 4.49Å
538	G	90.1	Very high	91.2	Very high	44 Å²	44	71.8 Å²	71.8	45%	0.454	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	59.8	-128.4	176.1	0	0	0	0	0	112.5	N540 M541	G538-N540 PolarHBondContact O-N 2.75Å; G538-N540 VanDerWaalsContact O-N 3.13Å; G538-M541 WeakPolarHBondContact O-CB 3.32Å; G538-M541 WeakPolarHBondContact O-CE 3.44Å; G538-M541 VanDerWaalsContact O-CG 3.29Å; G538-M541 WeakPolarHBondContact O-CG 3.43Å; G538-M541 PolarHBondContact O-N 2.77Å; G538-M541 VanDerWaalsContact O-N 3.08Å
539	D	86.9	Confident	91.2	Very high	165 Å²	165	77.2 Å²	77.2	88%	0.882	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-61.3	-18	176.4	-71	1.1	0	0	0	113.5	K537	K537-D539 PolarHBondContact O-N 2.62Å
540	N	88.4	Confident	91.3	Very high	106 Å²	106	80.9 Å²	80.9	57%	0.567	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-96.9	13.3	177.4	-63.6	-17	0	0	0	113.3	L536 K537 G538	L536-N540 WeakPolarHBondContact CB-O 3.22Å; K537-N540 WeakPolarHBondContact O-CB 3.41Å; K537-N540 PolarHBondContact O-N 3.27Å; G538-N540 PolarHBondContact O-N 2.75Å; G538-N540 VanDerWaalsContact O-N 3.13Å
541	M	90	Very high	91.4	Very high	71 Å²	71	81.9 Å²	81.9	35%	0.35	42%	0.42	S	S	.	.			trans	-59	142.4	172.8	-81.3	-172.9	-71.2	0	0	112.2	G538 L550 R551 N552	G538-M541 WeakPolarHBondContact O-CB 3.32Å; G538-M541 WeakPolarHBondContact O-CE 3.44Å; G538-M541 VanDerWaalsContact O-CG 3.29Å; G538-M541 WeakPolarHBondContact O-CG 3.43Å; G538-M541 PolarHBondContact O-N 2.77Å; G538-M541 VanDerWaalsContact O-N 3.08Å; M541-L550 HydrophobicContact CB-CB 4.07Å; M541-L550 HydrophobicContact SD-CB 4.44Å; M541-R551 WeakPolarHBondContact CA-O 3.46Å; M541-R551 WeakPolarHBondContact CB-O 3.31Å; M541-R551 WeakPolarHBondContact CG-O 3.42Å; M541-N552 WeakPolarHBondContact CG-OD1 3.33Å
542	Y	91.4	Very high	91.5	Very high	35 Å²	35	84.1 Å²	84.1	14%	0.137	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.9	-179	89.2	-69	0	0	0	112.9	V441 C443 L536 C544 L550 R551	V441-Y542 HydrophobicContact CB-CE2 4.27Å; V441-Y542 HydrophobicContact CG1-CD1 4.01Å; V441-Y542 HydrophobicContact CG1-CD2 3.8Å; V441-Y542 HydrophobicContact CG1-CE1 3.83Å; V441-Y542 HydrophobicContact CG1-CE2 3.57Å; V441-Y542 HydrophobicContact CG1-CG 4Å; C443-Y542 VanDerWaalsContact CA-OH 3.26Å; C443-Y542 WeakPolarHBondContact CA-OH 3.28Å; C443-Y542 WeakPolarHBondContact CB-OH 3.26Å; C443-Y542 PolarHBondContact N-OH 2.74Å; L536-Y542 HydrophobicContact CD1-CD1 4.26Å; L536-Y542 HydrophobicContact CD1-CG 4.2Å; Y542-C544 HydrophobicContact CE1-CB 4.44Å; Y542-C544 HydrophobicContact CE2-CB 4.3Å; Y542-C544 PolarHBondContact O-N 3.14Å; Y542-L550 CarbonylContact O-C 3.4Å; Y542-L550 VanDerWaalsContact O-CA 3.31Å; Y542-L550 WeakPolarHBondContact O-CA 3.41Å; Y542-R551 WeakPolarHBondContact CD1-O 3.35Å; Y542-R551 HydrophobicContact CE1-CB 4.3Å; Y542-R551 PolarHBondContact N-O 2.75Å; Y542-R551 VanDerWaalsContact N-O 3.11Å; Y542-R551 PolarHBondContact O-N 2.88Å
543	S	92.9	Very high	91.6	Very high	83 Å²	83	82.3 Å²	82.3	58%	0.58	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	101.9	177.1	-168.2	0	0	0	0	110.9	E545	S543-E545 PolarHBondContact O-N 3.01Å
544	C	92.8	Very high	91.8	Very high	1 Å²	1	80.5 Å²	80.5	1%	0.007	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	115.7	179.2	177.6	0	0	0	0	110.8	Y542 R546 C547 K548 K549 R551	Y542-C544 HydrophobicContact CE1-CB 4.44Å; Y542-C544 HydrophobicContact CE2-CB 4.3Å; Y542-C544 PolarHBondContact O-N 3.14Å; C544-R546 PolarHBondContact O-N 2.87Å; C544-R546 VanDerWaalsContact O-N 3.11Å; C544-C547 HydrophobicContact CB-CB 4.1Å; C544-C547 PolarHBondContact O-N 3.27Å; C544-C547 VanDerWaalsContact O-N 3.1Å; C544-K548 PolarHBondContact O-N 3.5Å; C544-K549 PolarHBondContact N-O 3.34Å; C544-R551 HydrophobicContact CB-CB 4.04Å; C544-R551 HydrophobicContact CB-CG 3.73Å
545	E	90.7	Very high	92	Very high	100 Å²	100	78.6 Å²	78.6	47%	0.467	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.3	178.6	-74.6	176.5	-126.8	0	0	115	R448 S450 S543 K548	R448-E545 IonicContact CZ-OE2 2.71Å; R448-E545 VanDerWaalsContact NH1-CB 3.31Å; R448-E545 IonicContact NH1-OE2 3.98Å; R448-E545 PolarHBondContact NH1-OE2 3.09Å; R448-E545 VanDerWaalsContact NH2-CD 3.29Å; R448-E545 IonicContact NH2-OE1 2.76Å; R448-E545 PolarHBondContact NH2-OE1 3.26Å; R448-E545 IonicContact NH2-OE2 2.96Å; R448-E545 PolarHBondContact NH2-OE2 2.71Å; S450-E545 PolarHBondContact OG-OE1 3.42Å; S543-E545 PolarHBondContact O-N 3.01Å; E545-K548 VanDerWaalsContact O-CD 3.25Å; E545-K548 WeakPolarHBondContact O-CD 3.22Å; E545-K548 WeakPolarHBondContact O-CE 3.41Å; E545-K548 PolarHBondContact O-NZ 3.02Å
546	R	92.5	Very high	92.1	Very high	169 Å²	169	78.2 Å²	78.2	64%	0.638	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-37	-179.9	-170.2	178.8	-174.4	-167	6.7	111.6	C446 C544	C446-R546 PolarHBondContact O-NH1 2.77Å; C544-R546 PolarHBondContact O-N 2.87Å; C544-R546 VanDerWaalsContact O-N 3.11Å
547	C	91.8	Very high	92.1	Very high	30 Å²	30	77.1 Å²	77.1	20%	0.203	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.9	177.4	-63.1	0	0	0	0	114.2	C446 C544 K549 R551	C446-C547 VanDerWaalsContact SG-SG 3.65Å; C544-C547 HydrophobicContact CB-CB 4.1Å; C544-C547 PolarHBondContact O-N 3.27Å; C544-C547 VanDerWaalsContact O-N 3.1Å; C547-K549 PolarHBondContact O-N 2.81Å; C547-K549 VanDerWaalsContact O-N 3.16Å; C547-R551 HydrophobicContact CB-CG 3.98Å; C547-R551 PolarHBondContact SG-NE 3.07Å
548	K	93.4	Very high	92.4	Very high	168 Å²	168	76.4 Å²	76.4	73%	0.73	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	30.7	-171.5	-55.9	-60.3	-176.1	-155.9	0	113.6	C544 E545	C544-K548 PolarHBondContact O-N 3.5Å; E545-K548 VanDerWaalsContact O-CD 3.25Å; E545-K548 WeakPolarHBondContact O-CD 3.22Å; E545-K548 WeakPolarHBondContact O-CE 3.41Å; E545-K548 PolarHBondContact O-NZ 3.02Å
549	K	93.3	Very high	92.7	Very high	136 Å²	136	74.3 Å²	74.3	59%	0.591	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.6	-175.6	-68.1	-175.6	-177.4	-176.6	0	110	C544 C547	C544-K549 PolarHBondContact N-O 3.34Å; C547-K549 PolarHBondContact O-N 2.81Å; C547-K549 VanDerWaalsContact O-N 3.16Å
550	L	94.4	Very high	93.1	Very high	103 Å²	103	68.1 Å²	68.1	54%	0.539	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	137.6	166.2	-63	-177.7	0	0	0	110.2	M541 Y542	M541-L550 HydrophobicContact CB-CB 4.07Å; M541-L550 HydrophobicContact SD-CB 4.44Å; Y542-L550 CarbonylContact O-C 3.4Å; Y542-L550 VanDerWaalsContact O-CA 3.31Å; Y542-L550 WeakPolarHBondContact O-CA 3.41Å
551	R	94.8	Very high	93.5	Very high	77 Å²	77	66.9 Å²	66.9	29%	0.291	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.1	-176.9	-70.8	-59.8	-174.9	-141.5	19.4	111.6	M541 Y542 C544 C547	M541-R551 WeakPolarHBondContact CA-O 3.46Å; M541-R551 WeakPolarHBondContact CB-O 3.31Å; M541-R551 WeakPolarHBondContact CG-O 3.42Å; Y542-R551 WeakPolarHBondContact CD1-O 3.35Å; Y542-R551 HydrophobicContact CE1-CB 4.3Å; Y542-R551 PolarHBondContact N-O 2.75Å; Y542-R551 VanDerWaalsContact N-O 3.11Å; Y542-R551 PolarHBondContact O-N 2.88Å; C544-R551 HydrophobicContact CB-CB 4.04Å; C544-R551 HydrophobicContact CB-CG 3.73Å; C547-R551 HydrophobicContact CB-CG 3.98Å; C547-R551 PolarHBondContact SG-NE 3.07Å
552	N	95.3	Very high	93.8	Very high	65 Å²	65	63.5 Å²	63.5	35%	0.348	29%	0.294	S	S	.	.			trans	-67.1	140.5	163.3	-69.1	-13.4	0	0	0	109.3	L444 L536 K537 M541	L444-N552 HydrophobicContact CB-CB 4.43Å; L444-N552 HydrophobicContact CD1-CB 4.37Å; L444-N552 PolarHBondContact N-O 3.18Å; L444-N552 VanDerWaalsContact N-O 3.1Å; L536-N552 CarbonylContact O-C 3.57Å; L536-N552 WeakPolarHBondContact O-CA 3.4Å; K537-N552 HydrophobicContact CG-CB 4.49Å; M541-N552 WeakPolarHBondContact CG-OD1 3.33Å
553	G	93.6	Very high	94.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	174.4	177.6	0	0	0	0	0	112.2	Q442 L536	Q442-G553 WeakPolarHBondContact O-CA 3.48Å; L536-G553 PolarHBondContact N-O 3.27Å; L536-G553 PolarHBondContact O-N 2.86Å
554	V	93.9	Very high	94.3	Very high	16 Å²	16	58.3 Å²	58.3	10%	0.097	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.3	164.4	-174.1	0	0	0	0	107.6	V441 Q442 L444 A533 D534 Y556	V441-V554 WeakPolarHBondContact CA-O 3.11Å; Q442-V554 PolarHBondContact N-O 3.22Å; Q442-V554 PolarHBondContact O-N 3.29Å; Q442-V554 VanDerWaalsContact O-N 3.15Å; L444-V554 HydrophobicContact CD1-CG2 4.05Å; L444-V554 HydrophobicContact CD2-CG2 4.21Å; L444-V554 HydrophobicContact CG-CG2 4.36Å; A533-V554 HydrophobicContact CB-CG1 3.96Å; D534-V554 CarbonylContact O-C 3.59Å; D534-V554 WeakPolarHBondContact O-CA 3.2Å; V554-Y556 HydrophobicContact CB-CE2 4.02Å; V554-Y556 HydrophobicContact CG1-CD2 4.29Å; V554-Y556 HydrophobicContact CG1-CE1 4.12Å; V554-Y556 HydrophobicContact CG1-CE2 3.66Å
555	K	93.3	Very high	94.5	Very high	47 Å²	47	58.4 Å²	58.4	20%	0.204	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.1	170.7	-179.1	-174.3	-169.5	-158.5	0	109.3	S439 L440 V441 A533 D534 L536 C557	S439-K555 WeakPolarHBondContact OG-CE 3.42Å; S439-K555 PolarHBondContact OG-NZ 2.95Å; L440-K555 CarbonylContact O-C 3.53Å; L440-K555 VanDerWaalsContact O-CA 3.3Å; L440-K555 WeakPolarHBondContact O-CA 3.36Å; V441-K555 HydrophobicContact CG2-CB 4.16Å; V441-K555 HydrophobicContact CG2-CG 4.04Å; A533-K555 CarbonylContact C-O 3.58Å; A533-K555 WeakPolarHBondContact CA-O 3.28Å; D534-K555 HydrophobicContact CB-CB 4Å; D534-K555 PolarHBondContact N-O 3.01Å; D534-K555 PolarHBondContact O-N 3.45Å; L536-K555 HydrophobicContact CD1-CB 4.16Å; L536-K555 HydrophobicContact CG-CB 4.31Å; K555-C557 WeakPolarHBondContact CE-SG 3.39Å; K555-C557 PolarHBondContact NZ-SG 3.18Å
556	Y	92.3	Very high	94.9	Very high	108 Å²	108	53.6 Å²	53.6	42%	0.424	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.9	168.2	-57.4	-88.1	0	0	0	108.7	L440 A533 V554	L440-Y556 PolarHBondContact N-O 3.28Å; L440-Y556 PolarHBondContact O-N 2.85Å; A533-Y556 HydrophobicContact CB-CD1 3.82Å; A533-Y556 HydrophobicContact CB-CE1 3.55Å; V554-Y556 HydrophobicContact CB-CE2 4.02Å; V554-Y556 HydrophobicContact CG1-CD2 4.29Å; V554-Y556 HydrophobicContact CG1-CE1 4.12Å; V554-Y556 HydrophobicContact CG1-CE2 3.66Å
557	C	93.4	Very high	95.1	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.068	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.6	174.9	-62.4	0	0	0	0	109	I437 F531 K555	I437-C557 HydrophobicContact CG2-CB 4.22Å; F531-C557 HydrophobicContact CD1-CB 3.85Å; F531-C557 WeakPolarHBondContact CD1-O 3.42Å; F531-C557 HydrophobicContact CE1-CB 4.35Å; K555-C557 WeakPolarHBondContact CE-SG 3.39Å; K555-C557 PolarHBondContact NZ-SG 3.18Å
558	K	94.8	Very high	95.4	Very high	71 Å²	71	44.4 Å²	44.4	31%	0.309	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.3	167.6	-75.2	-62	-172.3	-178.3	0	110.2	I437 L438 L560 P598 F599 L600 A601	I437-K558 CarbonylContact C-O 3.55Å; I437-K558 WeakPolarHBondContact CA-O 3.48Å; L438-K558 PolarHBondContact N-O 3.41Å; L438-K558 PolarHBondContact O-N 3.08Å; K558-L560 PolarHBondContact O-N 3.15Å; K558-P598 PolarHBondContact NZ-O 3.05Å; K558-F599 CarbonylContact C-O 3.59Å; K558-F599 WeakPolarHBondContact CA-O 3.37Å; K558-F599 WeakPolarHBondContact CD-O 3.41Å; K558-L600 WeakPolarHBondContact CD-O 3.35Å; K558-A601 HydrophobicContact CB-CB 4.05Å
559	V	96.5	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.8	173.9	178.9	0	0	0	0	109	F531 L562 M596 F599 L600 A601	F531-V559 HydrophobicContact CE1-CG2 3.8Å; F531-V559 HydrophobicContact CE2-CG2 4.09Å; F531-V559 HydrophobicContact CZ-CG2 3.35Å; V559-L562 HydrophobicContact CG1-CD2 3.83Å; V559-L562 HydrophobicContact CG1-CG 4.07Å; V559-M596 HydrophobicContact CG2-CE 4.34Å; V559-F599 PolarHBondContact N-O 3.03Å; V559-L600 HydrophobicContact CB-CD2 3.99Å; V559-L600 HydrophobicContact CG1-CD2 3.94Å; V559-L600 CarbonylContact O-C 3.59Å; V559-L600 WeakPolarHBondContact O-CA 3.37Å; V559-A601 PolarHBondContact O-N 3.04Å
560	L	95.9	Very high	95.8	Very high	35 Å²	35	30.8 Å²	30.8	18%	0.183	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-49.5	176.3	-178.9	62.4	0	0	0	111.2	S436 L438 V453 K558 A601 S604 P605	S436-L560 PolarHBondContact O-N 3.02Å; L438-L560 HydrophobicContact CB-CB 4.27Å; V453-L560 HydrophobicContact CG1-CD2 3.88Å; V453-L560 HydrophobicContact CG2-CD2 3.85Å; K558-L560 PolarHBondContact O-N 3.15Å; L560-A601 HydrophobicContact CD1-CB 4.3Å; L560-S604 WeakPolarHBondContact O-CA 3.26Å; L560-S604 VanDerWaalsContact O-CB 3.28Å; L560-S604 WeakPolarHBondContact O-CB 3.33Å; L560-S604 PolarHBondContact O-OG 3.07Å; L560-P605 WeakPolarHBondContact O-CD 3.44Å
561	K	96.1	Very high	95.7	Very high	79 Å²	79	30.2 Å²	30.2	34%	0.343	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.2	175.2	-175.8	-151.6	165.7	-154.7	0	109.9	D434 G435 S436	D434-K561 PolarHBondContact O-NZ 2.81Å; G435-K561 CarbonylContact C-O 3.55Å; G435-K561 VanDerWaalsContact CA-O 3.28Å; G435-K561 WeakPolarHBondContact CA-O 3.45Å; S436-K561 PolarHBondContact N-O 3.13Å; S436-K561 PolarHBondContact O-N 2.92Å; S436-K561 WeakPolarHBondContact OG-CB 3.47Å; S436-K561 PolarHBondContact OG-N 2.84Å
562	L	97.3	Very high	95.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.122	C	C	.	.			trans	-86.1	131.2	172	-79.4	171.7	0	0	0	112.2	V559 M596 L600 S606 Y611 K670	V559-L562 HydrophobicContact CG1-CD2 3.83Å; V559-L562 HydrophobicContact CG1-CG 4.07Å; L562-M596 HydrophobicContact CD1-CB 4.16Å; L562-M596 HydrophobicContact CD2-CB 3.87Å; L562-M596 HydrophobicContact CD2-CE 4.31Å; L562-M596 HydrophobicContact CD2-CG 4.07Å; L562-L600 HydrophobicContact CD1-CD1 4.41Å; L562-L600 HydrophobicContact CD1-CD2 3.84Å; L562-L600 HydrophobicContact CD2-CD2 4.49Å; L562-L600 HydrophobicContact CG-CD2 3.87Å; L562-S606 PolarHBondContact N-OG 3.21Å; L562-S606 VanDerWaalsContact N-OG 3.17Å; L562-Y611 WeakPolarHBondContact CB-OH 3.33Å; L562-Y611 HydrophobicContact CD1-CE2 4.15Å; L562-Y611 HydrophobicContact CD2-CE2 3.94Å; L562-Y611 HydrophobicContact CG-CE2 4.49Å; L562-K670 PolarHBondContact O-NZ 2.98Å
563	P	97.1	Very high	95	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	12%	0.115	C	C	.	.			trans	-73.3	161.5	175.2	33.4	-36	0	0	0	111.6	F433 F456 L566 Y611 K670	F433-P563 WeakPolarHBondContact O-CB 3.49Å; F456-P563 HydrophobicContact CE2-CG 4.35Å; P563-L566 HydrophobicContact CG-CB 4.08Å; P563-L566 HydrophobicContact CG-CD1 3.98Å; P563-Y611 PolarHBondContact O-OH 3.47Å; P563-K670 WeakPolarHBondContact O-CE 3.44Å
564	E	96.6	Very high	94.3	Very high	8 Å²	8	31 Å²	31	4%	0.037	14%	0.135	C	C	.	.	S	Bend	trans	-68.3	-44.1	176.3	-171.2	59.4	-138.4	0	0	111.5	P149 I432 K670 F709 A710	P149-E564 HydrophobicContact CG-CG 4.27Å; I432-E564 WeakPolarHBondContact O-CB 3.46Å; I432-E564 PolarHBondContact O-N 3.27Å; E564-K670 PolarHBondContact O-N 2.79Å; E564-F709 HydrophobicContact CB-CD2 3.89Å; E564-F709 HydrophobicContact CB-CE2 3.91Å; E564-F709 HydrophobicContact CG-CB 4.13Å; E564-F709 HydrophobicContact CG-CD1 4.25Å; E564-F709 HydrophobicContact CG-CD2 3.51Å; E564-F709 HydrophobicContact CG-CE2 3.92Å; E564-F709 HydrophobicContact CG-CG 3.69Å; E564-F709 HydrophobicContact CG-CZ 4.46Å; E564-F709 WeakPolarHBondContact OE1-CA 3.32Å; E564-F709 WeakPolarHBondContact OE2-CD2 3.21Å; E564-A710 PolarHBondContact OE1-N 2.98Å
565	I	97.9	Very high	93.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.9	168.4	-55.1	-57.4	0	0	0	108.8	P149 I432 F433 L614 F667 Y668 R669	P149-I565 HydrophobicContact CG-CD1 4.26Å; P149-I565 HydrophobicContact CG-CG1 4.34Å; I432-I565 HydrophobicContact CG2-CB 3.89Å; I432-I565 HydrophobicContact CG2-CG1 3.57Å; I432-I565 PolarHBondContact O-N 3.08Å; F433-I565 HydrophobicContact CD1-CB 3.95Å; F433-I565 HydrophobicContact CD1-CG2 4.15Å; F433-I565 HydrophobicContact CE1-CB 3.77Å; F433-I565 HydrophobicContact CE1-CG1 4.47Å; F433-I565 HydrophobicContact CE1-CG2 3.71Å; I565-L614 HydrophobicContact CD1-CD1 3.66Å; I565-F667 HydrophobicContact CG2-CB 4.36Å; I565-F667 HydrophobicContact CG2-CD1 4.05Å; I565-Y668 CarbonylContact C-O 3.44Å; I565-Y668 VanDerWaalsContact CA-O 3.28Å; I565-Y668 WeakPolarHBondContact CA-O 3.34Å; I565-R669 HydrophobicContact CD1-CB 3.75Å
566	L	98.2	Very high	92.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	110.1	176.6	176.9	61.8	0	0	0	109.9	F456 L459 P563 I568 M596 Y611 Y668	F456-L566 HydrophobicContact CE2-CD1 3.92Å; F456-L566 HydrophobicContact CZ-CD1 4.45Å; L459-L566 HydrophobicContact CD1-CD1 3.98Å; L459-L566 HydrophobicContact CG-CD1 4.18Å; P563-L566 HydrophobicContact CG-CB 4.08Å; P563-L566 HydrophobicContact CG-CD1 3.98Å; L566-I568 HydrophobicContact CD2-CD1 4.11Å; L566-I568 HydrophobicContact CD2-CG1 4.34Å; L566-I568 HydrophobicContact CG-CD1 4.29Å; L566-I568 HydrophobicContact CG-CG1 3.99Å; L566-M596 HydrophobicContact CD2-CE 3.94Å; L566-M596 HydrophobicContact CD2-CG 4.02Å; L566-M596 HydrophobicContact CD2-SD 3.8Å; L566-Y611 HydrophobicContact CB-CD1 3.95Å; L566-Y611 HydrophobicContact CB-CE1 3.49Å; L566-Y611 VanDerWaalsContact CB-CE1 3.49Å; L566-Y611 HydrophobicContact CD2-CE1 4.42Å; L566-Y611 HydrophobicContact CD2-CE2 4.36Å; L566-Y668 PolarHBondContact N-O 3.3Å; L566-Y668 PolarHBondContact O-N 2.98Å
567	C	98.3	Very high	91.1	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.034	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.1	171.4	-55.2	0	0	0	0	110	F433 Q457 D458 L459 L666 F667	F433-C567 VanDerWaalsContact CD1-SG 3.54Å; Q457-C567 WeakPolarHBondContact O-CB 3.43Å; D458-C567 WeakPolarHBondContact CA-O 3.31Å; D458-C567 HydrophobicContact CB-CB 4.13Å; L459-C567 PolarHBondContact N-O 3.41Å; C567-L666 WeakPolarHBondContact CA-O 3.42Å; C567-F667 VanDerWaalsContact SG-CD1 3.55Å; C567-F667 WeakPolarHBondContact SG-CE1 3.41Å
568	I	98.4	Very high	89.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.7	176.4	-55.8	178.5	0	0	0	109	L461 L523 L566 L570 L594 V665 L666 Y668	L461-I568 HydrophobicContact CD1-CG2 3.44Å; L461-I568 VanDerWaalsContact CD1-CG2 3.44Å; L461-I568 HydrophobicContact CG-CG2 3.8Å; L523-I568 HydrophobicContact CD1-CD1 4.36Å; L523-I568 HydrophobicContact CD1-CG2 4.15Å; L523-I568 HydrophobicContact CD2-CD1 4.17Å; L566-I568 HydrophobicContact CD2-CD1 4.11Å; L566-I568 HydrophobicContact CD2-CG1 4.34Å; L566-I568 HydrophobicContact CG-CD1 4.29Å; L566-I568 HydrophobicContact CG-CG1 3.99Å; I568-L570 HydrophobicContact CG2-CD2 4.49Å; I568-L594 HydrophobicContact CD1-CD2 4.23Å; I568-V665 CarbonylContact O-C 3.44Å; I568-V665 VanDerWaalsContact O-CA 3.27Å; I568-V665 WeakPolarHBondContact O-CA 3.43Å; I568-L666 HydrophobicContact CB-CD1 4.48Å; I568-L666 PolarHBondContact N-O 3.02Å; I568-L666 PolarHBondContact O-N 2.88Å; I568-Y668 HydrophobicContact CD1-CD2 4.03Å; I568-Y668 HydrophobicContact CD1-CE2 4.19Å
569	H	97.5	Very high	88.6	Confident	18 Å²	18	51.5 Å²	51.5	8%	0.083	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.9	173.4	157.9	-138.7	0	0	0	109.3	Q219 L459 S460 L461 Y664 V665	Q219-H569 HydrophobicContact CG-CB 3.91Å; L459-H569 PolarHBondContact O-N 2.79Å; S460-H569 CarbonylContact C-O 3.59Å; S460-H569 WeakPolarHBondContact CA-O 3.42Å; S460-H569 PolarHBondContact OG-ND1 2.85Å; L461-H569 PolarHBondContact N-O 2.82Å; H569-Y664 AromaticContact CD2-CE2 3.43Å; H569-Y664 VanDerWaalsContact CD2-CE2 3.43Å; H569-Y664 WeakPolarHBondContact CD2-CE2 3.32Å; H569-Y664 AromaticContact CD2-CZ 3.6Å; H569-Y664 AromaticContact NE2-CE2 3.31Å; H569-Y664 VanDerWaalsContact NE2-CE2 3.31Å; H569-Y664 WeakPolarHBondContact NE2-CE2 3.02Å; H569-Y664 AromaticContact NE2-CZ 3.48Å; H569-Y664 PolarHBondContact NE2-OH 3.39Å; H569-V665 HydrophobicContact CB-CG2 4.31Å
570	L	96.4	Very high	87.4	Confident	1 Å²	1	54 Å²	54	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.9	173.5	-63.3	-178.3	0	0	0	109.3	L461 I463 L523 C526 I568 R572 V587 A663 Y664 L666	L461-L570 HydrophobicContact CB-CD2 4.27Å; L461-L570 HydrophobicContact CD1-CD2 4.34Å; I463-L570 HydrophobicContact CD1-CB 4.31Å; I463-L570 HydrophobicContact CG1-CB 4.41Å; L523-L570 HydrophobicContact CD1-CD2 4.07Å; C526-L570 HydrophobicContact CB-CD2 4.47Å; I568-L570 HydrophobicContact CG2-CD2 4.49Å; L570-R572 PolarHBondContact O-N 2.81Å; L570-V587 HydrophobicContact CD1-CB 4.06Å; L570-V587 HydrophobicContact CD1-CG1 4.1Å; L570-V587 HydrophobicContact CD1-CG2 4.3Å; L570-A663 HydrophobicContact CD1-CB 4.43Å; L570-Y664 PolarHBondContact N-O 2.79Å; L570-L666 HydrophobicContact CD1-CD1 4.13Å; L570-L666 HydrophobicContact CG-CD1 4.09Å
571	K	93.1	Very high	86.6	Confident	91 Å²	91	55.4 Å²	55.4	40%	0.396	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	75	-179.7	-73	169.1	163.2	144.3	0	111.9	S460 L461	S460-K571 VanDerWaalsContact O-CE 3.26Å; S460-K571 WeakPolarHBondContact O-CE 3.31Å; S460-K571 PolarHBondContact O-NZ 3.31Å; L461-K571 VanDerWaalsContact O-CB 3.28Å; L461-K571 WeakPolarHBondContact O-CB 3.39Å; L461-K571 WeakPolarHBondContact O-CG 3.46Å; L461-K571 PolarHBondContact O-N 2.85Å
572	R	90.1	Very high	86.2	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.011	25%	0.253	C	S	.	.			trans	-76.3	-25.2	-179.6	-73.1	-170.2	-178.5	-77	-4.9	113.4	I463 L570 K582 I583 S585 A663 Y664	I463-R572 HydrophobicContact CD1-CG 3.75Å; L570-R572 PolarHBondContact O-N 2.81Å; R572-K582 CarbonylContact O-C 3.47Å; R572-K582 WeakPolarHBondContact O-CA 3.33Å; R572-I583 PolarHBondContact NH1-O 2.88Å; R572-I583 WeakPolarHBondContact O-CB 3.37Å; R572-I583 WeakPolarHBondContact O-CG1 3.45Å; R572-I583 PolarHBondContact O-N 3.4Å; R572-S585 PolarHBondContact NH1-O 3.29Å; R572-A663 VanDerWaalsContact CZ-O 3.26Å; R572-A663 PolarHBondContact NE-O 3.18Å; R572-A663 PolarHBondContact NH2-O 2.94Å; R572-Y664 HydrophobicContact CB-CD2 4.38Å; R572-Y664 HydrophobicContact CG-CD2 4.41Å
573	F	84.4	Confident	85.7	Confident	46 Å²	46	54.1 Å²	54.1	20%	0.202	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.5	179	-57.2	-69.7	0	0	0	110.6	K582 H619 A623 Y664	F573-K582 HydrophobicContact CD1-CB 4.18Å; F573-K582 HydrophobicContact CD1-CG 4.45Å; F573-K582 HydrophobicContact CE1-CB 4.05Å; F573-K582 HydrophobicContact CE1-CD 4.36Å; F573-K582 HydrophobicContact CE1-CG 4.06Å; F573-H619 AromaticContact CZ-CE1 3.82Å; F573-H619 AromaticContact CZ-ND1 3.68Å; F573-A623 HydrophobicContact CD1-CB 4Å; F573-A623 HydrophobicContact CE1-CB 4.29Å; F573-Y664 HydrophobicContact CD2-CE2 4.22Å; F573-Y664 AromaticContact CE2-CE2 3.96Å; F573-Y664 HydrophobicContact CE2-CE2 3.96Å
574	R	79.3	Confident	85.1	Confident	110 Å²	110	57.9 Å²	57.9	42%	0.415	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.7	168.4	-69.7	-172.9	-176	170.5	8.6	108.8	I463 S580 F581 I583	I463-R574 PolarHBondContact O-NH2 3.1Å; R574-S580 WeakPolarHBondContact O-CA 3.41Å; R574-F581 HydrophobicContact CB-CD1 4.24Å; R574-F581 HydrophobicContact CB-CD2 4.43Å; R574-F581 HydrophobicContact CB-CE1 3.79Å; R574-F581 HydrophobicContact CB-CE2 3.99Å; R574-F581 HydrophobicContact CB-CZ 3.66Å; R574-F581 HydrophobicContact CG-CE2 4.35Å; R574-F581 HydrophobicContact CG-CZ 4.22Å; R574-F581 PolarHBondContact N-O 2.77Å; R574-F581 PolarHBondContact O-N 3.36Å; R574-I583 HydrophobicContact CG-CD1 4.11Å
575	H	70.4	Confident	84.6	Confident	145 Å²	145	60 Å²	60	67%	0.671	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.2	177.7	-62.3	-85.1	0	0	0	108.6	S580	H575-S580 WeakPolarHBondContact ND1-CB 3.38Å; H575-S580 PolarHBondContact ND1-OG 3.4Å
576	E	70.9	Confident	84.2	Confident	98 Å²	98	62.7 Å²	62.7	46%	0.458	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	161.6	167.5	-69.7	-174.9	-156	0	0	109.5	M578 Y579 F581	E576-M578 PolarHBondContact O-N 2.86Å; E576-Y579 CarbonylContact C-O 3.46Å; E576-Y579 WeakPolarHBondContact CA-O 3.41Å; E576-Y579 HydrophobicContact CB-CD1 4.11Å; E576-Y579 HydrophobicContact CB-CE1 3.8Å; E576-Y579 HydrophobicContact CG-CE1 4.38Å; E576-Y579 PolarHBondContact N-O 3.22Å; E576-Y579 PolarHBondContact O-N 3.33Å; E576-Y579 PolarHBondContact OE1-OH 2.76Å; E576-Y579 WeakPolarHBondContact OE2-CE1 3.3Å; E576-Y579 PolarHBondContact OE2-OH 2.85Å; E576-F581 HydrophobicContact CG-CE1 4.45Å
577	V	69.8	Low	84	Confident	141 Å²	141	62.8 Å²	62.8	86%	0.855	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.1	-166.6	-169.6	0	0	0	0	113.8
578	M	66.9	Low	83.9	Confident	171 Å²	171	64.5 Å²	64.5	84%	0.842	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-12	-179.7	-89.9	69.7	-154.2	0	0	114.8	E576	E576-M578 PolarHBondContact O-N 2.86Å
579	Y	69.1	Low	83.8	Confident	126 Å²	126	64.9 Å²	64.9	49%	0.494	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	153.9	-176	67.8	-71.7	0	0	0	111.6	E576 F581	E576-Y579 CarbonylContact C-O 3.46Å; E576-Y579 WeakPolarHBondContact CA-O 3.41Å; E576-Y579 HydrophobicContact CB-CD1 4.11Å; E576-Y579 HydrophobicContact CB-CE1 3.8Å; E576-Y579 HydrophobicContact CG-CE1 4.38Å; E576-Y579 PolarHBondContact N-O 3.22Å; E576-Y579 PolarHBondContact O-N 3.33Å; E576-Y579 PolarHBondContact OE1-OH 2.76Å; E576-Y579 WeakPolarHBondContact OE2-CE1 3.3Å; E576-Y579 PolarHBondContact OE2-OH 2.85Å; Y579-F581 AromaticContact CD2-CD1 4Å; Y579-F581 HydrophobicContact CD2-CD1 4Å; Y579-F581 AromaticContact CE2-CD1 3.59Å; Y579-F581 HydrophobicContact CE2-CD1 3.59Å; Y579-F581 AromaticContact CE2-CE1 3.97Å; Y579-F581 HydrophobicContact CE2-CE1 3.97Å
580	S	71.7	Confident	83.7	Confident	53 Å²	53	65.5 Å²	65.5	37%	0.371	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.3	176.7	-55.3	0	0	0	0	109.1	R574 H575	R574-S580 WeakPolarHBondContact O-CA 3.41Å; H575-S580 WeakPolarHBondContact ND1-CB 3.38Å; H575-S580 PolarHBondContact ND1-OG 3.4Å
581	F	80.3	Confident	83.7	Confident	64 Å²	64	66.3 Å²	66.3	28%	0.281	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151	-177.2	64.6	-88.7	0	0	0	112.5	R574 E576 Y579 I583	R574-F581 HydrophobicContact CB-CD1 4.24Å; R574-F581 HydrophobicContact CB-CD2 4.43Å; R574-F581 HydrophobicContact CB-CE1 3.79Å; R574-F581 HydrophobicContact CB-CE2 3.99Å; R574-F581 HydrophobicContact CB-CZ 3.66Å; R574-F581 HydrophobicContact CG-CE2 4.35Å; R574-F581 HydrophobicContact CG-CZ 4.22Å; R574-F581 PolarHBondContact N-O 2.77Å; R574-F581 PolarHBondContact O-N 3.36Å; E576-F581 HydrophobicContact CG-CE1 4.45Å; Y579-F581 AromaticContact CD2-CD1 4Å; Y579-F581 HydrophobicContact CD2-CD1 4Å; Y579-F581 AromaticContact CE2-CD1 3.59Å; Y579-F581 HydrophobicContact CE2-CD1 3.59Å; Y579-F581 AromaticContact CE2-CE1 3.97Å; Y579-F581 HydrophobicContact CE2-CE1 3.97Å; F581-I583 HydrophobicContact CE2-CG1 4.33Å
582	K	87	Confident	83.8	Confident	32 Å²	32	66.5 Å²	66.5	14%	0.139	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.4	174.6	179.4	-172.6	164.6	-168.3	0	109.3	R572 F573 S584 H619 G621 A623 E662	R572-K582 CarbonylContact O-C 3.47Å; R572-K582 WeakPolarHBondContact O-CA 3.33Å; F573-K582 HydrophobicContact CD1-CB 4.18Å; F573-K582 HydrophobicContact CD1-CG 4.45Å; F573-K582 HydrophobicContact CE1-CB 4.05Å; F573-K582 HydrophobicContact CE1-CD 4.36Å; F573-K582 HydrophobicContact CE1-CG 4.06Å; K582-S584 PolarHBondContact O-N 3.17Å; K582-H619 PolarHBondContact NZ-O 2.89Å; K582-G621 WeakPolarHBondContact CD-O 3.46Å; K582-G621 PolarHBondContact NZ-O 2.65Å; K582-A623 HydrophobicContact CB-CB 4.15Å; K582-E662 WeakPolarHBondContact CE-OE2 3.36Å; K582-E662 IonicContact NZ-OE2 3.43Å; K582-E662 PolarHBondContact NZ-OE2 2.83Å
583	I	85.8	Confident	84	Confident	22 Å²	22	68.6 Å²	68.6	11%	0.113	36%	0.361	C	S	.	.			trans	-81.5	99.4	168.9	-59.9	167.2	0	0	0	108	I463 R572 R574 F581 S585	I463-I583 HydrophobicContact CB-CD1 4.46Å; I463-I583 HydrophobicContact CD1-CB 4.31Å; I463-I583 HydrophobicContact CD1-CG2 3.85Å; I463-I583 HydrophobicContact CG2-CG2 4.27Å; R572-I583 PolarHBondContact NH1-O 2.88Å; R572-I583 WeakPolarHBondContact O-CB 3.37Å; R572-I583 WeakPolarHBondContact O-CG1 3.45Å; R572-I583 PolarHBondContact O-N 3.4Å; R574-I583 HydrophobicContact CG-CD1 4.11Å; F581-I583 HydrophobicContact CE2-CG1 4.33Å; I583-S585 VanDerWaalsContact C-N 3.3Å; I583-S585 WeakPolarHBondContact CG2-OG 3.35Å
584	S	85.8	Confident	84.6	Confident	79 Å²	79	66.4 Å²	66.4	55%	0.552	35%	0.352	S	S	*	.			trans	-87.1	9.6	172.8	52.4	0	0	0	0	113.6	K582 H586 E662	K582-S584 PolarHBondContact O-N 3.17Å; S584-H586 PolarHBondContact O-N 3Å; S584-E662 WeakPolarHBondContact CB-OE1 3.08Å
585	S	85.9	Confident	85.4	Confident	52 Å²	52	63.6 Å²	63.6	36%	0.364	35%	0.345	S	S	.	.			trans	-63.5	127.4	172.3	61.6	0	0	0	0	109.6	R572 I583	R572-S585 PolarHBondContact NH1-O 3.29Å; I583-S585 VanDerWaalsContact C-N 3.3Å; I583-S585 WeakPolarHBondContact CG2-OG 3.35Å
586	H	90.1	Very high	86.6	Confident	60 Å²	60	56.8 Å²	56.8	28%	0.278	31%	0.313	S	S	.	.			trans	-56	142.7	168	-178.6	-94.3	0	0	0	109.4	S584 Q659	S584-H586 PolarHBondContact O-N 3Å; H586-Q659 PolarHBondContact NE2-O 2.94Å; H586-Q659 VanDerWaalsContact NE2-O 3.08Å
587	V	93.8	Very high	87.8	Confident	1 Å²	1	58 Å²	58	1%	0.006	32%	0.319	C	S	.	.			trans	-125.5	122.3	171.9	175	0	0	0	0	104.3	I463 V521 L570 F589	I463-V587 HydrophobicContact CD1-CG2 4.12Å; I463-V587 HydrophobicContact CG1-CG2 4.29Å; I463-V587 HydrophobicContact CG2-CG2 4.05Å; V521-V587 HydrophobicContact CG1-CG1 4.42Å; V521-V587 HydrophobicContact CG1-CG2 4.26Å; V521-V587 CarbonylContact O-C 3.54Å; V521-V587 WeakPolarHBondContact O-CA 3.38Å; L570-V587 HydrophobicContact CD1-CB 4.06Å; L570-V587 HydrophobicContact CD1-CG1 4.1Å; L570-V587 HydrophobicContact CD1-CG2 4.3Å; V587-F589 VanDerWaalsContact O-CD1 3.31Å; V587-F589 WeakPolarHBondContact O-CD1 3.33Å
588	S	95.3	Very high	88.9	Confident	41 Å²	41	55 Å²	55	29%	0.287	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-78.1	135.7	178.6	-168.8	0	0	0	0	110.1	V521 T522 L523	V521-S588 PolarHBondContact O-N 3.41Å; T522-S588 CarbonylContact C-O 3.58Å; T522-S588 WeakPolarHBondContact CA-O 3.45Å; L523-S588 PolarHBondContact N-O 3.29Å
589	F	96.6	Very high	90.3	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.039	27%	0.267	C	S	.	.			trans	-138.7	140.3	-179.7	54.7	-88.6	0	0	0	110.4	L523 V587 L591 L613 V616 V658 A663 L666	L523-F589 HydrophobicContact CB-CB 4.05Å; L523-F589 HydrophobicContact CD2-CB 3.95Å; V587-F589 VanDerWaalsContact O-CD1 3.31Å; V587-F589 WeakPolarHBondContact O-CD1 3.33Å; F589-L591 HydrophobicContact CE2-CD2 4.33Å; F589-L613 HydrophobicContact CD2-CD2 4.02Å; F589-L613 HydrophobicContact CE2-CD2 3.72Å; F589-V616 HydrophobicContact CZ-CG2 4.42Å; F589-V658 VanDerWaalsContact CZ-O 3.26Å; F589-V658 WeakPolarHBondContact CZ-O 3.43Å; F589-A663 HydrophobicContact CD1-CB 3.95Å; F589-A663 HydrophobicContact CE1-CB 3.47Å; F589-A663 VanDerWaalsContact CE1-CB 3.47Å; F589-A663 HydrophobicContact CZ-CB 3.98Å; F589-L666 HydrophobicContact CB-CD2 3.97Å; F589-L666 HydrophobicContact CD1-CD2 4.04Å; F589-L666 HydrophobicContact CD2-CD2 3.56Å; F589-L666 HydrophobicContact CE1-CD2 4.47Å; F589-L666 HydrophobicContact CE2-CD2 4.01Å; F589-L666 HydrophobicContact CG-CD2 3.58Å; F589-L666 HydrophobicContact CZ-CD2 4.43Å
590	P	95.8	Very high	91.5	Very high	30 Å²	30	43.2 Å²	43.2	20%	0.195	25%	0.25	C	S	.	.			trans	-72.2	145.7	176.9	30.9	-36.8	0	0	0	111.6	L594 Y668	P590-L594 HydrophobicContact CG-CB 3.81Å; P590-L594 HydrophobicContact CG-CD1 3.99Å; P590-L594 HydrophobicContact CG-CG 4.45Å; P590-Y668 WeakPolarHBondContact O-CE1 3.34Å; P590-Y668 PolarHBondContact O-OH 2.89Å
591	L	96.1	Very high	92.5	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.099	24%	0.236	C	C	.	.	S	Bend	trans	-82	-29	168	-59.7	-172	0	0	0	112.4	F589 L613 W642 E655 V658 Q659	F589-L591 HydrophobicContact CE2-CD2 4.33Å; L591-L613 HydrophobicContact CD2-CD2 3.65Å; L591-L613 PolarHBondContact O-N 3.02Å; L591-W642 HydrophobicContact CD2-CZ2 4.33Å; L591-E655 HydrophobicContact CD1-CB 3.8Å; L591-E655 HydrophobicContact CD1-CG 3.94Å; L591-V658 HydrophobicContact CD2-CG1 4.2Å; L591-Q659 HydrophobicContact CD1-CG 3.86Å; L591-Q659 VanDerWaalsContact CD1-NE2 3.34Å; L591-Q659 HydrophobicContact CD2-CG 4.01Å; L591-Q659 HydrophobicContact CG-CG 3.82Å
592	E	95.5	Very high	92.9	Very high	94 Å²	94	48 Å²	48	44%	0.439	27%	0.266	S	S	.	.	S	Bend	trans	-135.9	147.3	-177.9	-66.6	177.6	-164	0	0	109.6	L100 D612	L100-E592 HydrophobicContact CD1-CG 4.18Å; L100-E592 WeakPolarHBondContact CD1-OE1 3.39Å; E592-D612 WeakPolarHBondContact CA-OD1 3.32Å
593	G	94.7	Very high	93	Very high	47 Å²	47	52.5 Å²	52.5	49%	0.485	29%	0.288	S	S	.	.			trans	71.4	30.6	167.6	0	0	0	0	0	117.2	D595 Y611 D612	G593-D595 PolarHBondContact O-N 2.99Å; G593-Y611 PolarHBondContact N-O 2.72Å; G593-D612 PolarHBondContact N-OD1 3.02Å
594	L	96.9	Very high	93.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	112.5	167.3	176.2	65.9	0	0	0	109.6	L523 E524 L527 I568 P590 T610 Y611 Y668	L523-L594 HydrophobicContact CD2-CD1 4.21Å; L523-L594 HydrophobicContact CD2-CD2 3.93Å; E524-L594 HydrophobicContact CG-CD1 4.28Å; L527-L594 HydrophobicContact CD1-CD1 4.23Å; I568-L594 HydrophobicContact CD1-CD2 4.23Å; P590-L594 HydrophobicContact CG-CB 3.81Å; P590-L594 HydrophobicContact CG-CD1 3.99Å; P590-L594 HydrophobicContact CG-CG 4.45Å; L594-T610 CarbonylContact O-C 3.43Å; L594-T610 WeakPolarHBondContact O-CA 3.42Å; L594-Y611 PolarHBondContact N-O 3.24Å; L594-Y611 PolarHBondContact O-N 2.94Å; L594-Y668 HydrophobicContact CB-CD1 4.31Å; L594-Y668 HydrophobicContact CB-CE1 4.04Å; L594-Y668 HydrophobicContact CD2-CD1 3.95Å; L594-Y668 HydrophobicContact CD2-CD2 4.04Å; L594-Y668 HydrophobicContact CD2-CE1 3.86Å; L594-Y668 HydrophobicContact CD2-CE2 3.91Å; L594-Y668 HydrophobicContact CD2-CG 4.06Å
595	D	95.2	Very high	93.3	Very high	52 Å²	52	53.5 Å²	53.5	28%	0.278	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	115.9	179.9	-176.2	23.5	0	0	0	112.4	G593 Q597 T609	G593-D595 PolarHBondContact O-N 2.99Å; D595-Q597 WeakPolarHBondContact OD1-CB 2.91Å; D595-Q597 PolarHBondContact OD1-N 3.27Å; D595-Q597 WeakPolarHBondContact OD2-CB 3.48Å; D595-Q597 PolarHBondContact OD2-NE2 3.21Å; D595-T609 WeakPolarHBondContact OD1-CB 3.39Å; D595-T609 PolarHBondContact OD1-OG1 3.28Å
596	M	96.4	Very high	93.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.283	C	S	.	.			trans	-85.9	-8	176.1	-67.8	-65	-67	0	0	113.8	L459 L527 V559 L562 L566 P598 F599 T609 Y611	L459-M596 HydrophobicContact CD1-CE 4.24Å; L527-M596 HydrophobicContact CD1-SD 3.91Å; L527-M596 HydrophobicContact CD2-CE 4.15Å; L527-M596 HydrophobicContact CD2-SD 4.29Å; V559-M596 HydrophobicContact CG2-CE 4.34Å; L562-M596 HydrophobicContact CD1-CB 4.16Å; L562-M596 HydrophobicContact CD2-CB 3.87Å; L562-M596 HydrophobicContact CD2-CE 4.31Å; L562-M596 HydrophobicContact CD2-CG 4.07Å; L566-M596 HydrophobicContact CD2-CE 3.94Å; L566-M596 HydrophobicContact CD2-CG 4.02Å; L566-M596 HydrophobicContact CD2-SD 3.8Å; M596-P598 VanDerWaalsContact C-CD 3.41Å; M596-F599 HydrophobicContact CE-CD2 4.42Å; M596-F599 WeakPolarHBondContact O-CB 3.26Å; M596-F599 PolarHBondContact O-N 3.21Å; M596-F599 HydrophobicContact SD-CD2 4.29Å; M596-T609 WeakPolarHBondContact CB-O 3.43Å; M596-T609 PolarHBondContact N-O 2.69Å; M596-Y611 HydrophobicContact CB-CE2 4.35Å; M596-Y611 HydrophobicContact CG-CD2 3.74Å; M596-Y611 HydrophobicContact CG-CE2 3.76Å
597	Q	94.6	Very high	93.3	Very high	123 Å²	123	57.1 Å²	57.1	58%	0.575	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-53.2	-39.8	-175.6	-179.9	178.2	-143	0	0	115.1	D595 F599 L600 T609	D595-Q597 WeakPolarHBondContact OD1-CB 2.91Å; D595-Q597 PolarHBondContact OD1-N 3.27Å; D595-Q597 WeakPolarHBondContact OD2-CB 3.48Å; D595-Q597 PolarHBondContact OD2-NE2 3.21Å; Q597-F599 PolarHBondContact O-N 3.36Å; Q597-F599 VanDerWaalsContact O-N 3.09Å; Q597-L600 PolarHBondContact O-N 3.21Å; Q597-T609 HydrophobicContact CB-CG2 4.14Å
598	P	94.4	Very high	93.3	Very high	78 Å²	78	57.9 Å²	57.9	51%	0.506	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.2	176.8	-24.2	35.7	0	0	0	113.8	K558 M596	K558-P598 PolarHBondContact NZ-O 3.05Å; M596-P598 VanDerWaalsContact C-CD 3.41Å
599	F	94.8	Very high	93.3	Very high	22 Å²	22	57 Å²	57	10%	0.096	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-98.1	-2.6	-176	-48.6	-63.8	0	0	0	113.4	L527 A528 F531 K558 V559 M596 Q597	L527-F599 HydrophobicContact CB-CD2 4.23Å; L527-F599 HydrophobicContact CB-CE1 3.99Å; L527-F599 HydrophobicContact CB-CE2 3.67Å; L527-F599 HydrophobicContact CB-CZ 3.53Å; L527-F599 HydrophobicContact CD1-CD2 4.43Å; L527-F599 HydrophobicContact CD1-CE2 3.92Å; L527-F599 HydrophobicContact CG-CE2 4.35Å; A528-F599 HydrophobicContact CB-CE1 4.31Å; F531-F599 HydrophobicContact CB-CD1 3.96Å; F531-F599 HydrophobicContact CD2-CB 3.68Å; F531-F599 AromaticContact CD2-CD1 3.51Å; F531-F599 HydrophobicContact CD2-CD1 3.51Å; F531-F599 HydrophobicContact CD2-CE1 4.35Å; F531-F599 AromaticContact CD2-CG 3.66Å; F531-F599 HydrophobicContact CD2-CG 3.66Å; F531-F599 HydrophobicContact CE2-CB 3.87Å; F531-F599 HydrophobicContact CE2-CD1 4.39Å; F531-F599 HydrophobicContact CE2-CG 4.11Å; F531-F599 HydrophobicContact CG-CB 4.2Å; F531-F599 HydrophobicContact CG-CD1 4.04Å; F531-F599 HydrophobicContact CG-CG 4.41Å; K558-F599 CarbonylContact C-O 3.59Å; K558-F599 WeakPolarHBondContact CA-O 3.37Å; K558-F599 WeakPolarHBondContact CD-O 3.41Å; V559-F599 PolarHBondContact N-O 3.03Å; M596-F599 HydrophobicContact CE-CD2 4.42Å; M596-F599 WeakPolarHBondContact O-CB 3.26Å; M596-F599 PolarHBondContact O-N 3.21Å; M596-F599 HydrophobicContact SD-CD2 4.29Å; Q597-F599 PolarHBondContact O-N 3.36Å; Q597-F599 VanDerWaalsContact O-N 3.09Å
600	L	95	Very high	93.3	Very high	29 Å²	29	59.1 Å²	59.1	15%	0.152	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-75.7	152.6	179.2	-67	175.3	0	0	0	113.9	K558 V559 L562 Q597 T609	K558-L600 WeakPolarHBondContact CD-O 3.35Å; V559-L600 HydrophobicContact CB-CD2 3.99Å; V559-L600 HydrophobicContact CG1-CD2 3.94Å; V559-L600 CarbonylContact O-C 3.59Å; V559-L600 WeakPolarHBondContact O-CA 3.37Å; L562-L600 HydrophobicContact CD1-CD1 4.41Å; L562-L600 HydrophobicContact CD1-CD2 3.84Å; L562-L600 HydrophobicContact CD2-CD2 4.49Å; L562-L600 HydrophobicContact CG-CD2 3.87Å; Q597-L600 PolarHBondContact O-N 3.21Å; L600-T609 HydrophobicContact CD1-CG2 3.58Å
601	A	93.3	Very high	93.4	Very high	9 Å²	9	57.7 Å²	57.7	7%	0.074	31%	0.309	C	S	.	.			trans	-74.2	152.1	161.3	0	0	0	0	0	109.8	L438 K558 V559 L560 E603 S604	L438-A601 HydrophobicContact CD2-CB 4.04Å; K558-A601 HydrophobicContact CB-CB 4.05Å; V559-A601 PolarHBondContact O-N 3.04Å; L560-A601 HydrophobicContact CD1-CB 4.3Å; A601-E603 PolarHBondContact O-N 2.78Å; A601-S604 WeakPolarHBondContact O-CB 3.42Å; A601-S604 PolarHBondContact O-N 2.87Å
602	K	88.3	Confident	93.4	Very high	207 Å²	207	57.1 Å²	57.1	90%	0.9	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.5	180	-63.6	179	179.9	178.7	0	112.4
603	E	88.8	Confident	93.6	Very high	128 Å²	128	52.7 Å²	52.7	60%	0.598	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	13.4	-177	-50.8	74.1	-164.1	0	0	111.9	A601	A601-E603 PolarHBondContact O-N 2.78Å
604	S	89.9	Confident	93.7	Very high	27 Å²	27	50.5 Å²	50.5	19%	0.189	26%	0.263	C	S	.	.			trans	-66.5	133.3	178.7	-169.5	0	0	0	0	111.6	L560 A601 S606	L560-S604 WeakPolarHBondContact O-CA 3.26Å; L560-S604 VanDerWaalsContact O-CB 3.28Å; L560-S604 WeakPolarHBondContact O-CB 3.33Å; L560-S604 PolarHBondContact O-OG 3.07Å; A601-S604 WeakPolarHBondContact O-CB 3.42Å; A601-S604 PolarHBondContact O-N 2.87Å; S604-S606 VanDerWaalsContact C-N 3.3Å; S604-S606 PolarHBondContact OG-N 3.04Å; S604-S606 PolarHBondContact OG-OG 3.38Å
605	P	87.9	Confident	93.7	Very high	95 Å²	95	50.5 Å²	50.5	62%	0.617	26%	0.263	S	S	*	.			trans	-85.2	-1.4	172.6	36	-35.4	0	0	0	113.2	L560	L560-P605 WeakPolarHBondContact O-CD 3.44Å
606	S	87.4	Confident	93.9	Very high	17 Å²	17	48 Å²	48	12%	0.119	25%	0.25	C	C	.	.			trans	-76.2	122	-176.2	-27.7	0	0	0	0	109.9	L562 S604	L562-S606 PolarHBondContact N-OG 3.21Å; L562-S606 VanDerWaalsContact N-OG 3.17Å; S604-S606 VanDerWaalsContact C-N 3.3Å; S604-S606 PolarHBondContact OG-N 3.04Å; S604-S606 PolarHBondContact OG-OG 3.38Å
607	Q	88.1	Confident	93.9	Very high	171 Å²	171	48 Å²	48	80%	0.799	25%	0.249	S	C	*	.	S	Bend	trans	-87.8	-32.8	179	-56	-176.9	9.6	0	0	111.5	E711	Q607-E711 WeakPolarHBondContact CB-OE1 3.44Å; Q607-E711 PolarHBondContact N-OE1 2.9Å
608	V	93.5	Very high	94	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.097	22%	0.222	C	C	.	.			trans	-99.6	117.2	-180	-177.9	0	0	0	0	110.2	K670 S671 A710 E711	V608-K670 HydrophobicContact CB-CD 4.28Å; V608-K670 HydrophobicContact CG1-CB 4.02Å; V608-K670 HydrophobicContact CG1-CD 4.39Å; V608-K670 HydrophobicContact CG1-CG 4.31Å; V608-S671 VanDerWaalsContact CG1-O 3.24Å; V608-S671 WeakPolarHBondContact CG1-O 3.46Å; V608-A710 HydrophobicContact CB-CB 4.47Å; V608-A710 HydrophobicContact CG1-CB 4.23Å; V608-A710 HydrophobicContact CG2-CB 4.25Å; V608-E711 HydrophobicContact CB-CG 4.39Å; V608-E711 HydrophobicContact CG2-CG 3.93Å
609	T	95.6	Very high	93.8	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.135	20%	0.2	C	C	.	.			trans	-109.8	-14.1	-177	72.2	0	0	0	0	114.1	D595 M596 Q597 L600 Y611	D595-T609 WeakPolarHBondContact OD1-CB 3.39Å; D595-T609 PolarHBondContact OD1-OG1 3.28Å; M596-T609 WeakPolarHBondContact CB-O 3.43Å; M596-T609 PolarHBondContact N-O 2.69Å; Q597-T609 HydrophobicContact CB-CG2 4.14Å; L600-T609 HydrophobicContact CD1-CG2 3.58Å; T609-Y611 WeakPolarHBondContact O-CD2 3.47Å
610	T	96.7	Very high	93.3	Very high	54 Å²	54	41.6 Å²	41.6	33%	0.331	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.6	-176.6	36.9	0	0	0	0	112.4	L594 S671	L594-T610 CarbonylContact O-C 3.43Å; L594-T610 WeakPolarHBondContact O-CA 3.42Å; T610-S671 PolarHBondContact O-N 2.83Å; T610-S671 PolarHBondContact OG1-O 2.93Å
611	Y	97.9	Very high	92.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143	-173.8	-79.9	-94	0	0	0	113.7	L562 P563 L566 G593 L594 M596 T609 R669 K670	L562-Y611 WeakPolarHBondContact CB-OH 3.33Å; L562-Y611 HydrophobicContact CD1-CE2 4.15Å; L562-Y611 HydrophobicContact CD2-CE2 3.94Å; L562-Y611 HydrophobicContact CG-CE2 4.49Å; P563-Y611 PolarHBondContact O-OH 3.47Å; L566-Y611 HydrophobicContact CB-CD1 3.95Å; L566-Y611 HydrophobicContact CB-CE1 3.49Å; L566-Y611 VanDerWaalsContact CB-CE1 3.49Å; L566-Y611 HydrophobicContact CD2-CE1 4.42Å; L566-Y611 HydrophobicContact CD2-CE2 4.36Å; G593-Y611 PolarHBondContact N-O 2.72Å; L594-Y611 PolarHBondContact N-O 3.24Å; L594-Y611 PolarHBondContact O-N 2.94Å; M596-Y611 HydrophobicContact CB-CE2 4.35Å; M596-Y611 HydrophobicContact CG-CD2 3.74Å; M596-Y611 HydrophobicContact CG-CE2 3.76Å; T609-Y611 WeakPolarHBondContact O-CD2 3.47Å; Y611-R669 CarbonylContact C-O 3.3Å; Y611-R669 WeakPolarHBondContact CA-O 3.4Å; Y611-R669 WeakPolarHBondContact CD1-O 3.43Å; Y611-K670 HydrophobicContact CD1-CG 4.27Å; Y611-K670 HydrophobicContact CE1-CB 4.36Å; Y611-K670 HydrophobicContact CE1-CG 3.58Å; Y611-K670 HydrophobicContact CE2-CG 4.18Å; Y611-K670 WeakPolarHBondContact OH-CE 3.28Å
612	D	97.1	Very high	91	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.3	173.4	-53.3	-29.5	0	0	0	111	E592 G593 L614 Y668 R669 S671	E592-D612 WeakPolarHBondContact CA-OD1 3.32Å; G593-D612 PolarHBondContact N-OD1 3.02Å; D612-L614 PolarHBondContact O-N 2.97Å; D612-Y668 VanDerWaalsContact C-CD1 3.44Å; D612-Y668 CarbonylContact O-C 3.53Å; D612-Y668 VanDerWaalsContact O-CA 3.28Å; D612-Y668 WeakPolarHBondContact O-CA 3.47Å; D612-R669 HydrophobicContact CB-CG 4.16Å; D612-R669 PolarHBondContact N-O 3.38Å; D612-R669 WeakPolarHBondContact O-CG 3.37Å; D612-R669 PolarHBondContact O-N 3.3Å; D612-R669 IonicContact OD2-NE 3.48Å; D612-R669 IonicContact OD2-NH2 3.42Å; D612-S671 WeakPolarHBondContact OD2-CB 3.36Å; D612-S671 PolarHBondContact OD2-OG 2.73Å
613	L	98.2	Very high	89.5	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.1	-177.4	-170.2	73.8	0	0	0	110.9	F589 L591 S615 V616 W642 V658 L666 Y668	F589-L613 HydrophobicContact CD2-CD2 4.02Å; F589-L613 HydrophobicContact CE2-CD2 3.72Å; L591-L613 HydrophobicContact CD2-CD2 3.65Å; L591-L613 PolarHBondContact O-N 3.02Å; L613-S615 WeakPolarHBondContact CD1-O 3.41Å; L613-V616 HydrophobicContact CD2-CB 4.42Å; L613-V616 HydrophobicContact CD2-CG1 4.33Å; L613-W642 HydrophobicContact CB-CH2 4.22Å; L613-W642 HydrophobicContact CD2-CH2 3.7Å; L613-W642 HydrophobicContact CD2-CZ2 4.33Å; L613-W642 HydrophobicContact CD2-CZ3 4.43Å; L613-W642 HydrophobicContact CG-CH2 3.85Å; L613-V658 HydrophobicContact CD2-CG1 4.34Å; L613-L666 HydrophobicContact CD1-CB 3.88Å; L613-L666 HydrophobicContact CD1-CD2 3.96Å; L613-L666 HydrophobicContact CD1-CG 4.45Å; L613-Y668 HydrophobicContact CB-CD1 4.18Å; L613-Y668 HydrophobicContact CB-CE1 3.79Å; L613-Y668 HydrophobicContact CD1-CD1 4.29Å; L613-Y668 HydrophobicContact CD1-CD2 3.98Å; L613-Y668 HydrophobicContact CD1-CE1 3.94Å; L613-Y668 HydrophobicContact CD1-CE2 3.61Å; L613-Y668 HydrophobicContact CD1-CG 4.29Å; L613-Y668 HydrophobicContact CG-CE1 4.48Å
614	L	97.3	Very high	87.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-44.8	169.9	-72.3	-177.8	0	0	0	112.3	I565 D612 C634 Q635 V637 F667 R669	I565-L614 HydrophobicContact CD1-CD1 3.66Å; D612-L614 PolarHBondContact O-N 2.97Å; L614-C634 WeakPolarHBondContact O-CA 3.33Å; L614-Q635 PolarHBondContact O-N 2.85Å; L614-V637 HydrophobicContact CD2-CG1 4.33Å; L614-F667 PolarHBondContact N-O 2.78Å; L614-R669 HydrophobicContact CD1-CB 3.98Å; L614-R669 HydrophobicContact CD2-CB 4.21Å; L614-R669 HydrophobicContact CD2-CG 3.91Å; L614-R669 VanDerWaalsContact CD2-NH1 3.3Å; L614-R669 HydrophobicContact CG-CB 3.9Å; L614-R669 HydrophobicContact CG-CG 3.96Å
615	S	98	Very high	85.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	156.2	-178.8	61.4	0	0	0	0	113	A143 L613 Y633 C634 F667	A143-S615 WeakPolarHBondContact CB-OG 3.43Å; L613-S615 WeakPolarHBondContact CD1-O 3.41Å; S615-Y633 CarbonylContact C-O 3.58Å; S615-Y633 WeakPolarHBondContact CA-O 3.34Å; S615-Y633 WeakPolarHBondContact CB-O 3.35Å; S615-C634 VanDerWaalsContact CB-SG 3.51Å; S615-F667 PolarHBondContact N-O 3.34Å; S615-F667 PolarHBondContact O-N 3.46Å
616	V	98.1	Very high	84.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125.4	173	54.5	0	0	0	0	110.1	F589 L613 Y633 V658 A663 V665 L666	F589-V616 HydrophobicContact CZ-CG2 4.42Å; L613-V616 HydrophobicContact CD2-CB 4.42Å; L613-V616 HydrophobicContact CD2-CG1 4.33Å; V616-Y633 HydrophobicContact CG1-CD2 4.19Å; V616-Y633 HydrophobicContact CG1-CG 4.5Å; V616-Y633 PolarHBondContact N-O 2.88Å; V616-Y633 PolarHBondContact O-N 2.82Å; V616-V658 HydrophobicContact CG1-CG1 3.56Å; V616-A663 HydrophobicContact CG2-CB 3.44Å; V616-A663 VanDerWaalsContact CG2-CB 3.44Å; V616-V665 CarbonylContact C-O 3.59Å; V616-V665 WeakPolarHBondContact CA-O 3.48Å; V616-L666 HydrophobicContact CG2-CD2 4.35Å; V616-L666 HydrophobicContact CG2-CG 4.13Å
617	I	97.8	Very high	83.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.7	171.1	-59.9	177.5	0	0	0	107.9	A139 A143 T218 L222 Y630 I631 A632 Y664 V665 F667	A139-I617 HydrophobicContact CB-CG2 4.07Å; A143-I617 HydrophobicContact CB-CD1 3.91Å; A143-I617 HydrophobicContact CB-CG1 4.03Å; T218-I617 HydrophobicContact CG2-CD1 3.76Å; T218-I617 HydrophobicContact CG2-CG2 4.04Å; L222-I617 HydrophobicContact CD1-CD1 4.08Å; I617-Y630 HydrophobicContact CG2-CD1 4.05Å; I617-I631 WeakPolarHBondContact CA-O 3.36Å; I617-A632 HydrophobicContact CG1-CB 4.3Å; I617-Y664 WeakPolarHBondContact O-CA 3.12Å; I617-Y664 WeakPolarHBondContact O-CB 3.49Å; I617-Y664 PolarHBondContact O-N 3.05Å; I617-V665 HydrophobicContact CB-CB 4.23Å; I617-V665 HydrophobicContact CD1-CB 4.37Å; I617-V665 PolarHBondContact N-O 3.01Å; I617-V665 PolarHBondContact O-N 3.37Å; I617-F667 HydrophobicContact CD1-CE2 4.08Å
618	C	95	Very high	82.8	Confident	0 Å²	0	32 Å²	32	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.6	176.9	-67.1	0	0	0	0	111	Y630 I631 A661 E662	C618-Y630 WeakPolarHBondContact O-CA 3.5Å; C618-I631 HydrophobicContact CB-CG1 4.17Å; C618-I631 PolarHBondContact N-O 2.72Å; C618-I631 PolarHBondContact O-N 3.33Å; C618-A661 VanDerWaalsContact SG-CB 3.54Å; C618-E662 WeakPolarHBondContact CA-O 3.2Å; C618-E662 VanDerWaalsContact SG-C 3.59Å; C618-E662 PolarHBondContact SG-O 3.08Å; C618-E662 VanDerWaalsContact SG-O 3.4Å
619	H	90.1	Very high	82.6	Confident	11 Å²	11	33.8 Å²	33.8	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	107.7	175.6	175.5	-90.5	0	0	0	110.8	F573 K582 H629 Y630 Y664	F573-H619 AromaticContact CZ-CE1 3.82Å; F573-H619 AromaticContact CZ-ND1 3.68Å; K582-H619 PolarHBondContact NZ-O 2.89Å; H619-H629 WeakPolarHBondContact CA-O 3.06Å; H619-Y630 HydrophobicContact CB-CD1 3.9Å; H619-Y630 HydrophobicContact CB-CE1 3.65Å; H619-Y630 AromaticContact CD2-CD1 3.94Å; H619-Y630 AromaticContact CD2-CE1 3.53Å; H619-Y630 AromaticContact CD2-CE2 3.63Å; H619-Y630 AromaticContact CD2-CZ 3.37Å; H619-Y630 AromaticContact CG-CE1 3.91Å; H619-Y664 HydrophobicContact CB-CG 4.4Å
620	H	85.2	Confident	82.5	Confident	79 Å²	79	33.1 Å²	33.1	37%	0.366	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	151.9	172.3	-60.6	103.5	0	0	0	110.9	G628 H629	H620-G628 CarbonylContact O-C 3.6Å; H620-G628 WeakPolarHBondContact O-CA 3.4Å; H620-H629 PolarHBondContact N-O 3.43Å; H620-H629 PolarHBondContact O-N 2.84Å
621	G	75.5	Confident	82.5	Confident	38 Å²	38	30.8 Å²	30.8	39%	0.392	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	95.7	-172.8	-176.5	0	0	0	0	0	114.8	K582	K582-G621 WeakPolarHBondContact CD-O 3.46Å; K582-G621 PolarHBondContact NZ-O 2.65Å
622	T	64.4	Low	82.5	Confident	96 Å²	96	30.8 Å²	30.8	59%	0.589	21%	0.21	S	C	*	.			trans	-114.3	154.5	-164.5	-55	0	0	0	0	111.3
623	A	55.8	Low	82.6	Confident	17 Å²	17	31.2 Å²	31.2	14%	0.14	21%	0.211	C	C	.	.	S	Bend	trans	-64.5	136.3	174.8	0	0	0	0	0	112.2	F573 K582	F573-A623 HydrophobicContact CD1-CB 4Å; F573-A623 HydrophobicContact CE1-CB 4.29Å; K582-A623 HydrophobicContact CB-CB 4.15Å
624	G	55.6	Low	82.6	Confident	55 Å²	55	31.2 Å²	31.2	57%	0.567	21%	0.211	S	C	*	.	S	Bend	trans	103.3	-163.6	176	0	0	0	0	0	114.5	A626	G624-A626 PolarHBondContact O-N 3.42Å
625	N	48.5	Very low	82.5	Confident	144 Å²	144	31.8 Å²	31.8	77%	0.77	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	5.2	-170.7	-65.5	31.9	0	0	0	115.3	G627	N625-G627 VanDerWaalsContact C-N 3.25Å; N625-G627 PolarHBondContact O-N 3.3Å
626	A	52.9	Low	82.2	Confident	86 Å²	86	31.8 Å²	31.8	71%	0.711	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.7	179.2	0	0	0	0	0	113.6	G624	G624-A626 PolarHBondContact O-N 3.42Å
627	G	65.8	Low	81.7	Confident	30 Å²	30	33.3 Å²	33.3	31%	0.309	22%	0.223	S	C	.	.			trans	81.6	155.3	-172.7	0	0	0	0	0	112.7	N625	N625-G627 VanDerWaalsContact C-N 3.25Å; N625-G627 PolarHBondContact O-N 3.3Å
628	G	79.3	Confident	81.1	Confident	16 Å²	16	36.8 Å²	36.8	17%	0.165	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	-163.6	170.7	0	0	0	0	0	111.1	Q215 H620	Q215-G628 PolarHBondContact NE2-O 2.84Å; Q215-G628 VanDerWaalsContact OE1-C 3.23Å; Q215-G628 PolarHBondContact OE1-O 2.79Å; H620-G628 CarbonylContact O-C 3.6Å; H620-G628 WeakPolarHBondContact O-CA 3.4Å
629	H	90.3	Very high	80.8	Confident	52 Å²	52	39.5 Å²	39.5	24%	0.241	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	137.5	172.5	-170.7	40.3	0	0	0	110.8	C135 H619 H620 D646 D647	C135-H629 VanDerWaalsContact CB-CE1 3.46Å; C135-H629 WeakPolarHBondContact CB-CE1 3.37Å; C135-H629 WeakPolarHBondContact CB-ND1 3.47Å; C135-H629 PolarHBondContact SG-ND1 3.05Å; C135-H629 VanDerWaalsContact SG-ND1 3.38Å; H619-H629 WeakPolarHBondContact CA-O 3.06Å; H620-H629 PolarHBondContact N-O 3.43Å; H620-H629 PolarHBondContact O-N 2.84Å; H629-D646 IonicContact CD2-OD1 3.3Å; H629-D646 IonicContact CE1-OD1 2.71Å; H629-D646 PolarHBondContact CE1-OD1 2.93Å; H629-D646 IonicContact NE2-OD1 3.9Å; H629-D646 PolarHBondContact NE2-OD1 2.83Å; H629-D646 IonicContact NE2-OD2 3.18Å; H629-D647 IonicContact CE1-OD2 3.92Å; H629-D647 PolarHBondContact CE1-OD2 2.93Å
630	Y	93.6	Very high	80.7	Confident	8 Å²	8	40 Å²	40	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.1	179.7	-71.1	-83.6	0	0	0	110.6	T218 I617 C618 H619 Y664	T218-Y630 WeakPolarHBondContact OG1-CD1 2.99Å; T218-Y630 WeakPolarHBondContact OG1-CD2 3.07Å; T218-Y630 WeakPolarHBondContact OG1-CE1 3.15Å; T218-Y630 WeakPolarHBondContact OG1-CE2 3.18Å; T218-Y630 VanDerWaalsContact OG1-CG 3.27Å; I617-Y630 HydrophobicContact CG2-CD1 4.05Å; C618-Y630 WeakPolarHBondContact O-CA 3.5Å; H619-Y630 HydrophobicContact CB-CD1 3.9Å; H619-Y630 HydrophobicContact CB-CE1 3.65Å; H619-Y630 AromaticContact CD2-CD1 3.94Å; H619-Y630 AromaticContact CD2-CE1 3.53Å; H619-Y630 AromaticContact CD2-CE2 3.63Å; H619-Y630 AromaticContact CD2-CZ 3.37Å; H619-Y630 AromaticContact CG-CE1 3.91Å; Y630-Y664 AromaticContact CE1-CD1 3.76Å; Y630-Y664 HydrophobicContact CE1-CD1 3.76Å; Y630-Y664 AromaticContact CE1-CE1 3.96Å; Y630-Y664 HydrophobicContact CE1-CE1 3.96Å
631	I	96.4	Very high	81.2	Confident	6 Å²	6	40 Å²	40	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	161	169.8	67.3	170.6	0	0	0	109.4	I617 C618 Y633 E644 D646	I617-I631 WeakPolarHBondContact CA-O 3.36Å; C618-I631 HydrophobicContact CB-CG1 4.17Å; C618-I631 PolarHBondContact N-O 2.72Å; C618-I631 PolarHBondContact O-N 3.33Å; I631-Y633 HydrophobicContact CD1-CE2 3.76Å; I631-Y633 HydrophobicContact CG1-CE2 4.31Å; I631-E644 HydrophobicContact CD1-CG 4.27Å; I631-D646 HydrophobicContact CG2-CB 4.01Å
632	A	98.1	Very high	82.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.8	172.7	0	0	0	0	0	110.7	A139 Q142 I617 F645	A139-A632 HydrophobicContact CB-CB 4.13Å; Q142-A632 HydrophobicContact CB-CB 4.21Å; I617-A632 HydrophobicContact CG1-CB 4.3Å; A632-F645 PolarHBondContact N-O 2.67Å; A632-F645 PolarHBondContact O-N 3.3Å
633	Y	98.4	Very high	83.8	Confident	17 Å²	17	34.6 Å²	34.6	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.1	164	-60.9	-84.5	0	0	0	108.5	S615 V616 I631 Y643 E644 V653 V657 V658 A661	S615-Y633 CarbonylContact C-O 3.58Å; S615-Y633 WeakPolarHBondContact CA-O 3.34Å; S615-Y633 WeakPolarHBondContact CB-O 3.35Å; V616-Y633 HydrophobicContact CG1-CD2 4.19Å; V616-Y633 HydrophobicContact CG1-CG 4.5Å; V616-Y633 PolarHBondContact N-O 2.88Å; V616-Y633 PolarHBondContact O-N 2.82Å; I631-Y633 HydrophobicContact CD1-CE2 3.76Å; I631-Y633 HydrophobicContact CG1-CE2 4.31Å; Y633-Y643 CarbonylContact C-O 3.57Å; Y633-Y643 VanDerWaalsContact CA-O 3.32Å; Y633-Y643 WeakPolarHBondContact CA-O 3.48Å; Y633-E644 HydrophobicContact CD1-CB 3.8Å; Y633-E644 HydrophobicContact CD1-CG 4.36Å; Y633-E644 HydrophobicContact CE1-CB 3.73Å; Y633-E644 HydrophobicContact CE1-CG 3.99Å; Y633-V653 HydrophobicContact CD1-CG2 3.84Å; Y633-V653 HydrophobicContact CE1-CG1 4.44Å; Y633-V653 HydrophobicContact CE1-CG2 4.14Å; Y633-V657 HydrophobicContact CE1-CG1 3.98Å; Y633-V658 HydrophobicContact CD1-CG2 4.21Å; Y633-V658 HydrophobicContact CG-CG2 4.32Å; Y633-A661 HydrophobicContact CD2-CB 4.25Å; Y633-A661 HydrophobicContact CE2-CB 3.75Å
634	C	97.9	Very high	85.8	Confident	1 Å²	1	36 Å²	36	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.4	178.5	-50.8	0	0	0	0	111.3	N146 L614 S615 Y643 F645	N146-C634 HydrophobicContact CB-CB 3.74Å; L614-C634 WeakPolarHBondContact O-CA 3.33Å; S615-C634 VanDerWaalsContact CB-SG 3.51Å; C634-Y643 PolarHBondContact N-O 3.5Å; C634-Y643 PolarHBondContact O-N 2.96Å; C634-F645 HydrophobicContact CB-CD2 4.37Å; C634-F645 HydrophobicContact CB-CE2 3.83Å
635	Q	95.7	Very high	87.8	Confident	12 Å²	12	33.6 Å²	33.6	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.7	165.8	-177	175.8	74	0	0	108.9	L614 V637 G640 W642	L614-Q635 PolarHBondContact O-N 2.85Å; Q635-V637 PolarHBondContact O-N 2.81Å; Q635-G640 PolarHBondContact NE2-O 2.8Å; Q635-W642 HydrophobicContact CB-CD2 4.06Å; Q635-W642 HydrophobicContact CB-CE3 4.27Å; Q635-W642 HydrophobicContact CB-CH2 4.01Å; Q635-W642 HydrophobicContact CB-CZ2 3.82Å; Q635-W642 HydrophobicContact CB-CZ3 4.25Å
636	N	92.2	Very high	90.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.175	C	C	.	.			trans	-77.9	117.9	171.3	-172.6	-71.5	0	0	0	109.9	R123 L125 I638 N639 G640 Q641 Y643	R123-N636 PolarHBondContact O-ND2 2.99Å; L125-N636 HydrophobicContact CD2-CB 4.17Å; L125-N636 VanDerWaalsContact CD2-ND2 3.33Å; L125-N636 WeakPolarHBondContact CD2-ND2 3.06Å; N636-I638 PolarHBondContact O-N 2.96Å; N636-I638 VanDerWaalsContact O-N 3.15Å; N636-I638 WeakPolarHBondContact OD1-CB 3.45Å; N636-I638 PolarHBondContact OD1-N 2.93Å; N636-N639 WeakPolarHBondContact CB-OD1 3.29Å; N636-N639 PolarHBondContact O-OD1 2.88Å; N636-G640 VanDerWaalsContact O-CA 3.31Å; N636-G640 WeakPolarHBondContact O-CA 3.3Å; N636-G640 PolarHBondContact O-N 3.24Å; N636-Q641 PolarHBondContact N-O 2.63Å; N636-Y643 HydrophobicContact CB-CD2 3.81Å; N636-Y643 HydrophobicContact CB-CE2 3.72Å
637	V	86.6	Confident	92.2	Very high	31 Å²	31	25.9 Å²	25.9	19%	0.188	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.6	-173.2	-60.8	0	0	0	0	115.1	A102 P148 L614 Q635	A102-V637 WeakPolarHBondContact CB-O 3.49Å; P148-V637 HydrophobicContact CG-CB 4.43Å; P148-V637 HydrophobicContact CG-CG1 3.74Å; P148-V637 HydrophobicContact CG-CG2 4.13Å; L614-V637 HydrophobicContact CD2-CG1 4.33Å; Q635-V637 PolarHBondContact O-N 2.81Å
638	I	85	Confident	93.6	Very high	73 Å²	73	27.2 Å²	27.2	37%	0.374	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-40.2	178.7	-64.6	162.8	0	0	0	111.2	R123 W181 N636	R123-I638 HydrophobicContact CB-CD1 3.73Å; R123-I638 HydrophobicContact CG-CD1 4.04Å; W181-I638 HydrophobicContact CZ3-CD1 4.08Å; N636-I638 PolarHBondContact O-N 2.96Å; N636-I638 VanDerWaalsContact O-N 3.15Å; N636-I638 WeakPolarHBondContact OD1-CB 3.45Å; N636-I638 PolarHBondContact OD1-N 2.93Å
639	N	88.9	Confident	94.4	Very high	57 Å²	57	33.1 Å²	33.1	31%	0.305	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-8.9	-179.6	65.7	1	0	0	0	114.3	N636 Q641 Y643	N636-N639 WeakPolarHBondContact CB-OD1 3.29Å; N636-N639 PolarHBondContact O-OD1 2.88Å; N639-Q641 HydrophobicContact CB-CG 4.34Å; N639-Q641 PolarHBondContact ND2-OE1 2.92Å; N639-Q641 PolarHBondContact O-N 2.65Å; N639-Q641 PolarHBondContact OD1-N 2.88Å; N639-Q641 VanDerWaalsContact OD1-N 3.08Å; N639-Y643 PolarHBondContact ND2-OH 2.79Å
640	G	89.1	Confident	94.7	Very high	22 Å²	22	32.8 Å²	32.8	23%	0.227	16%	0.163	C	C	.	.			trans	78	-1.6	-178.4	0	0	0	0	0	114.9	Q635 N636	Q635-G640 PolarHBondContact NE2-O 2.8Å; N636-G640 VanDerWaalsContact O-CA 3.31Å; N636-G640 WeakPolarHBondContact O-CA 3.3Å; N636-G640 PolarHBondContact O-N 3.24Å
641	Q	94.8	Very high	94.9	Very high	79 Å²	79	35.2 Å²	35.2	37%	0.369	18%	0.179	S	C	.	.			trans	-83.2	153.4	-174.3	-58.3	-175.7	-87.1	0	0	111.9	N636 N639 Y643 E652	N636-Q641 PolarHBondContact N-O 2.63Å; N639-Q641 HydrophobicContact CB-CG 4.34Å; N639-Q641 PolarHBondContact ND2-OE1 2.92Å; N639-Q641 PolarHBondContact O-N 2.65Å; N639-Q641 PolarHBondContact OD1-N 2.88Å; N639-Q641 VanDerWaalsContact OD1-N 3.08Å; Q641-Y643 HydrophobicContact CB-CE2 3.77Å; Q641-Y643 PolarHBondContact OE1-OH 3.22Å; Q641-E652 PolarHBondContact NE2-OE1 2.65Å; Q641-E652 PolarHBondContact NE2-OE2 2.83Å
642	W	97.6	Very high	94.9	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.6	177.9	-75.2	89	0	0	0	111.8	L591 L613 Q635 V653 V658	L591-W642 HydrophobicContact CD2-CZ2 4.33Å; L613-W642 HydrophobicContact CB-CH2 4.22Å; L613-W642 HydrophobicContact CD2-CH2 3.7Å; L613-W642 HydrophobicContact CD2-CZ2 4.33Å; L613-W642 HydrophobicContact CD2-CZ3 4.43Å; L613-W642 HydrophobicContact CG-CH2 3.85Å; Q635-W642 HydrophobicContact CB-CD2 4.06Å; Q635-W642 HydrophobicContact CB-CE3 4.27Å; Q635-W642 HydrophobicContact CB-CH2 4.01Å; Q635-W642 HydrophobicContact CB-CZ2 3.82Å; Q635-W642 HydrophobicContact CB-CZ3 4.25Å; W642-V653 HydrophobicContact CB-CG2 3.98Å; W642-V653 PolarHBondContact O-N 3.42Å; W642-V658 HydrophobicContact CB-CG2 4.05Å; W642-V658 HydrophobicContact CD2-CG1 4.38Å; W642-V658 HydrophobicContact CD2-CG2 3.84Å; W642-V658 HydrophobicContact CE3-CB 4.46Å; W642-V658 HydrophobicContact CE3-CG1 3.94Å; W642-V658 HydrophobicContact CE3-CG2 3.79Å; W642-V658 HydrophobicContact CG-CG2 3.96Å; W642-V658 HydrophobicContact CH2-CG1 4.28Å; W642-V658 HydrophobicContact CZ3-CG1 3.88Å
643	Y	97.6	Very high	94.8	Very high	13 Å²	13	41.7 Å²	41.7	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.1	176.6	-64	-87.6	0	0	0	110.7	L125 Y633 C634 N636 N639 Q641 F645 V650 T651 E652	L125-Y643 HydrophobicContact CD1-CD1 4.13Å; L125-Y643 HydrophobicContact CD1-CD2 4.22Å; L125-Y643 HydrophobicContact CD1-CE1 3.73Å; L125-Y643 HydrophobicContact CD1-CE2 3.8Å; L125-Y643 HydrophobicContact CD1-CG 4.38Å; L125-Y643 HydrophobicContact CD2-CD1 4.08Å; L125-Y643 HydrophobicContact CD2-CD2 3.44Å; L125-Y643 VanDerWaalsContact CD2-CD2 3.44Å; L125-Y643 HydrophobicContact CD2-CE1 4.44Å; L125-Y643 HydrophobicContact CD2-CE2 3.83Å; L125-Y643 HydrophobicContact CD2-CG 3.59Å; L125-Y643 HydrophobicContact CG-CD2 4.48Å; L125-Y643 HydrophobicContact CG-CE2 4.45Å; Y633-Y643 CarbonylContact C-O 3.57Å; Y633-Y643 VanDerWaalsContact CA-O 3.32Å; Y633-Y643 WeakPolarHBondContact CA-O 3.48Å; C634-Y643 PolarHBondContact N-O 3.5Å; C634-Y643 PolarHBondContact O-N 2.96Å; N636-Y643 HydrophobicContact CB-CD2 3.81Å; N636-Y643 HydrophobicContact CB-CE2 3.72Å; N639-Y643 PolarHBondContact ND2-OH 2.79Å; Q641-Y643 HydrophobicContact CB-CE2 3.77Å; Q641-Y643 PolarHBondContact OE1-OH 3.22Å; Y643-F645 WeakPolarHBondContact O-CD2 3.42Å; Y643-V650 HydrophobicContact CD1-CG1 4.28Å; Y643-V650 HydrophobicContact CG-CG1 4.48Å; Y643-T651 CarbonylContact C-O 3.45Å; Y643-T651 VanDerWaalsContact CA-O 3.28Å; Y643-T651 WeakPolarHBondContact CA-O 3.47Å; Y643-E652 HydrophobicContact CD1-CB 3.95Å; Y643-E652 HydrophobicContact CD1-CG 4.27Å; Y643-E652 HydrophobicContact CE1-CB 3.58Å; Y643-E652 HydrophobicContact CE1-CG 3.68Å; Y643-E652 WeakPolarHBondContact CE1-OE2 3.39Å; Y643-E652 PolarHBondContact OH-OE2 2.95Å
644	E	98	Very high	94.8	Very high	48 Å²	48	46.8 Å²	46.8	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.1	162.9	173.9	-176.9	-124	0	0	109.3	I631 Y633 V650 T651 V653	I631-E644 HydrophobicContact CD1-CG 4.27Å; Y633-E644 HydrophobicContact CD1-CB 3.8Å; Y633-E644 HydrophobicContact CD1-CG 4.36Å; Y633-E644 HydrophobicContact CE1-CB 3.73Å; Y633-E644 HydrophobicContact CE1-CG 3.99Å; E644-V650 WeakPolarHBondContact O-CA 3.46Å; E644-T651 WeakPolarHBondContact CB-OG1 3.22Å; E644-T651 PolarHBondContact N-O 3.4Å; E644-T651 PolarHBondContact O-N 3.03Å; E644-T651 PolarHBondContact OE2-OG1 3.32Å; E644-V653 HydrophobicContact CB-CG1 3.8Å
645	F	97.7	Very high	94.6	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	98.9	173.9	-64.2	-102.3	0	0	0	108.8	L125 Q142 A632 C634 Y643 V650	L125-F645 HydrophobicContact CD2-CZ 3.98Å; Q142-F645 HydrophobicContact CB-CB 4.34Å; Q142-F645 HydrophobicContact CB-CD1 4.45Å; Q142-F645 HydrophobicContact CB-CG 4.25Å; Q142-F645 HydrophobicContact CG-CB 3.82Å; Q142-F645 HydrophobicContact CG-CD1 3.82Å; Q142-F645 HydrophobicContact CG-CG 3.9Å; Q142-F645 VanDerWaalsContact NE2-CD1 3.28Å; A632-F645 PolarHBondContact N-O 2.67Å; A632-F645 PolarHBondContact O-N 3.3Å; C634-F645 HydrophobicContact CB-CD2 4.37Å; C634-F645 HydrophobicContact CB-CE2 3.83Å; Y643-F645 WeakPolarHBondContact O-CD2 3.42Å; F645-V650 HydrophobicContact CD1-CB 4.34Å; F645-V650 HydrophobicContact CD1-CG1 3.89Å; F645-V650 HydrophobicContact CD1-CG2 3.61Å; F645-V650 HydrophobicContact CE1-CB 4.44Å; F645-V650 HydrophobicContact CE1-CG1 3.67Å; F645-V650 HydrophobicContact CE1-CG2 3.85Å; F645-V650 HydrophobicContact CE2-CG1 4.45Å; F645-V650 HydrophobicContact CG-CG1 4.42Å; F645-V650 HydrophobicContact CZ-CG1 3.97Å
646	D	96.6	Very high	94.6	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.273	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	91	172.7	-177.5	9	0	0	0	109.7	H629 I631 Q648 Y649	H629-D646 IonicContact CD2-OD1 3.3Å; H629-D646 IonicContact CE1-OD1 2.71Å; H629-D646 PolarHBondContact CE1-OD1 2.93Å; H629-D646 IonicContact NE2-OD1 3.9Å; H629-D646 PolarHBondContact NE2-OD1 2.83Å; H629-D646 IonicContact NE2-OD2 3.18Å; I631-D646 HydrophobicContact CG2-CB 4.01Å; D646-Q648 PolarHBondContact O-N 3.42Å; D646-Y649 PolarHBondContact N-O 2.92Å; D646-Y649 VanDerWaalsContact N-O 3.08Å; D646-Y649 PolarHBondContact O-N 2.96Å
647	D	95.9	Very high	94.7	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.091	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	-104.3	-172.9	-77.1	-50.9	0	0	0	112.2	G127 M128 N130 C135 N138 H629	G127-D647 CarbonylContact C-O 3.57Å; G127-D647 WeakPolarHBondContact CA-O 3.5Å; M128-D647 CarbonylContact C-O 3.49Å; M128-D647 PolarHBondContact N-O 3.24Å; M128-D647 CarbonylContact O-C 2.95Å; M128-D647 VanDerWaalsContact O-CA 3.28Å; M128-D647 WeakPolarHBondContact O-CA 3.42Å; M128-D647 WeakPolarHBondContact O-CB 3.42Å; M128-D647 VanDerWaalsContact O-O 3.13Å; N130-D647 HydrophobicContact CB-CB 4.15Å; N130-D647 WeakPolarHBondContact CB-OD2 3.34Å; N130-D647 PolarHBondContact ND2-OD2 3.03Å; C135-D647 WeakPolarHBondContact CA-OD1 3.5Å; N138-D647 WeakPolarHBondContact CB-OD1 3.48Å; N138-D647 PolarHBondContact ND2-OD1 2.75Å; H629-D647 IonicContact CE1-OD2 3.92Å; H629-D647 PolarHBondContact CE1-OD2 2.93Å
648	Q	95.9	Very high	95.2	Very high	57 Å²	57	54.7 Å²	54.7	27%	0.266	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.7	-177.1	68	-177.8	21.6	0	0	114.3	M128 Y188 D646	M128-Q648 PolarHBondContact O-N 2.66Å; Y188-Q648 HydrophobicContact CG-CB 4.25Å; D646-Q648 PolarHBondContact O-N 3.42Å
649	Y	96.2	Very high	95.6	Very high	140 Å²	140	54.9 Å²	54.9	55%	0.549	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.9	-179.7	-53.6	-66.9	0	0	0	110.4	D646	D646-Y649 PolarHBondContact N-O 2.92Å; D646-Y649 VanDerWaalsContact N-O 3.08Å; D646-Y649 PolarHBondContact O-N 2.96Å
650	V	96.8	Very high	95.6	Very high	45 Å²	45	57.6 Å²	57.6	27%	0.273	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122	174.5	-171.7	0	0	0	0	107.5	L125 Y643 E644 F645	L125-V650 HydrophobicContact CB-CG1 4.32Å; L125-V650 HydrophobicContact CD2-CG1 4.45Å; Y643-V650 HydrophobicContact CD1-CG1 4.28Å; Y643-V650 HydrophobicContact CG-CG1 4.48Å; E644-V650 WeakPolarHBondContact O-CA 3.46Å; F645-V650 HydrophobicContact CD1-CB 4.34Å; F645-V650 HydrophobicContact CD1-CG1 3.89Å; F645-V650 HydrophobicContact CD1-CG2 3.61Å; F645-V650 HydrophobicContact CE1-CB 4.44Å; F645-V650 HydrophobicContact CE1-CG1 3.67Å; F645-V650 HydrophobicContact CE1-CG2 3.85Å; F645-V650 HydrophobicContact CE2-CG1 4.45Å; F645-V650 HydrophobicContact CG-CG1 4.42Å; F645-V650 HydrophobicContact CZ-CG1 3.97Å
651	T	96.5	Very high	95.8	Very high	59 Å²	59	57 Å²	57	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.7	-168	16.9	0	0	0	0	109.4	Y643 E644	Y643-T651 CarbonylContact C-O 3.45Å; Y643-T651 VanDerWaalsContact CA-O 3.28Å; Y643-T651 WeakPolarHBondContact CA-O 3.47Å; E644-T651 WeakPolarHBondContact CB-OG1 3.22Å; E644-T651 PolarHBondContact N-O 3.4Å; E644-T651 PolarHBondContact O-N 3.03Å; E644-T651 PolarHBondContact OE2-OG1 3.32Å
652	E	96.8	Very high	95.6	Very high	117 Å²	117	55.7 Å²	55.7	55%	0.547	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.8	173.9	-166.1	169.6	119.6	0	0	109.8	Q641 Y643	Q641-E652 PolarHBondContact NE2-OE1 2.65Å; Q641-E652 PolarHBondContact NE2-OE2 2.83Å; Y643-E652 HydrophobicContact CD1-CB 3.95Å; Y643-E652 HydrophobicContact CD1-CG 4.27Å; Y643-E652 HydrophobicContact CE1-CB 3.58Å; Y643-E652 HydrophobicContact CE1-CG 3.68Å; Y643-E652 WeakPolarHBondContact CE1-OE2 3.39Å; Y643-E652 PolarHBondContact OH-OE2 2.95Å
653	V	97.3	Very high	95.5	Very high	26 Å²	26	55.4 Å²	55.4	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.6	-178.4	-61.2	0	0	0	0	111.7	Y633 W642 E644 V657 V658	Y633-V653 HydrophobicContact CD1-CG2 3.84Å; Y633-V653 HydrophobicContact CE1-CG1 4.44Å; Y633-V653 HydrophobicContact CE1-CG2 4.14Å; W642-V653 HydrophobicContact CB-CG2 3.98Å; W642-V653 PolarHBondContact O-N 3.42Å; E644-V653 HydrophobicContact CB-CG1 3.8Å; V653-V657 HydrophobicContact CB-CB 4.29Å; V653-V657 HydrophobicContact CB-CG2 4.36Å; V653-V658 HydrophobicContact CG2-CG2 4.12Å
654	H	97	Very high	95.4	Very high	123 Å²	123	54.9 Å²	54.9	57%	0.569	28%	0.276	S	S	*	.			trans	-79.1	149.3	174.9	-167.5	-108.8	0	0	0	111.2	T656 V657	H654-T656 PolarHBondContact ND1-OG1 3.45Å; H654-T656 PolarHBondContact O-N 3.48Å; H654-V657 VanDerWaalsContact O-CB 3.31Å; H654-V657 WeakPolarHBondContact O-CB 3.39Å; H654-V657 PolarHBondContact O-N 3.23Å
655	E	95.1	Very high	95.4	Very high	84 Å²	84	52.7 Å²	52.7	39%	0.393	27%	0.266	S	S	.	.	H	α-helix	trans	-51	-34.6	179.7	-74.2	171	-164.7	0	0	113.8	L591 V657 V658 Q659	L591-E655 HydrophobicContact CD1-CB 3.8Å; L591-E655 HydrophobicContact CD1-CG 3.94Å; E655-V657 PolarHBondContact O-N 3.3Å; E655-V658 WeakPolarHBondContact O-CB 3.35Å; E655-V658 PolarHBondContact O-N 2.94Å; E655-V658 VanDerWaalsContact O-N 3.11Å; E655-Q659 WeakPolarHBondContact O-CG 3.45Å; E655-Q659 PolarHBondContact O-N 3.31Å
656	T	94.6	Very high	95.5	Very high	67 Å²	67	52.5 Å²	52.5	41%	0.411	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-22.1	177.4	55.4	0	0	0	0	113.5	H654 N660	H654-T656 PolarHBondContact ND1-OG1 3.45Å; H654-T656 PolarHBondContact O-N 3.48Å; T656-N660 PolarHBondContact O-ND2 2.97Å
657	V	95.4	Very high	95.6	Very high	60 Å²	60	50.1 Å²	50.1	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-70	-46.4	170.8	-176.8	0	0	0	0	109	Y633 V653 H654 E655 N660 A661	Y633-V657 HydrophobicContact CE1-CG1 3.98Å; V653-V657 HydrophobicContact CB-CB 4.29Å; V653-V657 HydrophobicContact CB-CG2 4.36Å; H654-V657 VanDerWaalsContact O-CB 3.31Å; H654-V657 WeakPolarHBondContact O-CB 3.39Å; H654-V657 PolarHBondContact O-N 3.23Å; E655-V657 PolarHBondContact O-N 3.3Å; V657-N660 PolarHBondContact O-N 3.32Å; V657-A661 PolarHBondContact O-N 2.93Å
658	V	95.6	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-48.3	-179	-170.8	0	0	0	0	111	F589 L591 L613 V616 Y633 W642 V653 E655 N660 A661	F589-V658 VanDerWaalsContact CZ-O 3.26Å; F589-V658 WeakPolarHBondContact CZ-O 3.43Å; L591-V658 HydrophobicContact CD2-CG1 4.2Å; L613-V658 HydrophobicContact CD2-CG1 4.34Å; V616-V658 HydrophobicContact CG1-CG1 3.56Å; Y633-V658 HydrophobicContact CD1-CG2 4.21Å; Y633-V658 HydrophobicContact CG-CG2 4.32Å; W642-V658 HydrophobicContact CB-CG2 4.05Å; W642-V658 HydrophobicContact CD2-CG1 4.38Å; W642-V658 HydrophobicContact CD2-CG2 3.84Å; W642-V658 HydrophobicContact CE3-CB 4.46Å; W642-V658 HydrophobicContact CE3-CG1 3.94Å; W642-V658 HydrophobicContact CE3-CG2 3.79Å; W642-V658 HydrophobicContact CG-CG2 3.96Å; W642-V658 HydrophobicContact CH2-CG1 4.28Å; W642-V658 HydrophobicContact CZ3-CG1 3.88Å; V653-V658 HydrophobicContact CG2-CG2 4.12Å; E655-V658 WeakPolarHBondContact O-CB 3.35Å; E655-V658 PolarHBondContact O-N 2.94Å; E655-V658 VanDerWaalsContact O-N 3.11Å; V658-N660 PolarHBondContact O-N 2.9Å; V658-A661 WeakPolarHBondContact O-CB 3.33Å; V658-A661 PolarHBondContact O-N 3.36Å; V658-A661 VanDerWaalsContact O-N 3.13Å
659	Q	93.5	Very high	95.7	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-29.3	178.6	-69.6	169.3	0.8	0	0	114.2	H586 L591 E655	H586-Q659 PolarHBondContact NE2-O 2.94Å; H586-Q659 VanDerWaalsContact NE2-O 3.08Å; L591-Q659 HydrophobicContact CD1-CG 3.86Å; L591-Q659 VanDerWaalsContact CD1-NE2 3.34Å; L591-Q659 HydrophobicContact CD2-CG 4.01Å; L591-Q659 HydrophobicContact CG-CG 3.82Å; E655-Q659 WeakPolarHBondContact O-CG 3.45Å; E655-Q659 PolarHBondContact O-N 3.31Å
660	N	90.7	Very high	95.7	Very high	114 Å²	114	43 Å²	43	61%	0.61	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.5	-179.4	-74.3	-68	0	0	0	113.5	T656 V657 V658	T656-N660 PolarHBondContact O-ND2 2.97Å; V657-N660 PolarHBondContact O-N 3.32Å; V658-N660 PolarHBondContact O-N 2.9Å
661	A	91.6	Very high	95.5	Very high	10 Å²	10	42.3 Å²	42.3	8%	0.083	22%	0.219	C	C	.	.	S	Bend	trans	-72.7	151.2	-174.9	0	0	0	0	0	113	C618 Y633 V657 V658 A663	C618-A661 VanDerWaalsContact SG-CB 3.54Å; Y633-A661 HydrophobicContact CD2-CB 4.25Å; Y633-A661 HydrophobicContact CE2-CB 3.75Å; V657-A661 PolarHBondContact O-N 2.93Å; V658-A661 WeakPolarHBondContact O-CB 3.33Å; V658-A661 PolarHBondContact O-N 3.36Å; V658-A661 VanDerWaalsContact O-N 3.13Å; A661-A663 PolarHBondContact O-N 3.29Å
662	E	91.3	Very high	95.3	Very high	51 Å²	51	40.7 Å²	40.7	24%	0.238	21%	0.21	C	C	.	.			trans	-73.3	73.5	173.2	-72.7	-163.3	154.9	0	0	111.1	K582 S584 C618 Y664	K582-E662 WeakPolarHBondContact CE-OE2 3.36Å; K582-E662 IonicContact NZ-OE2 3.43Å; K582-E662 PolarHBondContact NZ-OE2 2.83Å; S584-E662 WeakPolarHBondContact CB-OE1 3.08Å; C618-E662 WeakPolarHBondContact CA-O 3.2Å; C618-E662 VanDerWaalsContact SG-C 3.59Å; C618-E662 PolarHBondContact SG-O 3.08Å; C618-E662 VanDerWaalsContact SG-O 3.4Å; E662-Y664 PolarHBondContact O-N 3.27Å
663	A	95.3	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	126.7	179.8	0	0	0	0	0	111.9	L570 R572 F589 V616 A661 L666	L570-A663 HydrophobicContact CD1-CB 4.43Å; R572-A663 VanDerWaalsContact CZ-O 3.26Å; R572-A663 PolarHBondContact NE-O 3.18Å; R572-A663 PolarHBondContact NH2-O 2.94Å; F589-A663 HydrophobicContact CD1-CB 3.95Å; F589-A663 HydrophobicContact CE1-CB 3.47Å; F589-A663 VanDerWaalsContact CE1-CB 3.47Å; F589-A663 HydrophobicContact CZ-CB 3.98Å; V616-A663 HydrophobicContact CG2-CB 3.44Å; V616-A663 VanDerWaalsContact CG2-CB 3.44Å; A661-A663 PolarHBondContact O-N 3.29Å; A663-L666 HydrophobicContact CB-CD1 4.14Å; A663-L666 HydrophobicContact CB-CD2 4.1Å; A663-L666 HydrophobicContact CB-CG 4.16Å
664	Y	96.1	Very high	94.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-47.2	178.7	176.4	-116.8	0	0	0	111.6	D217 Q219 H569 L570 R572 F573 I617 H619 Y630 E662	D217-Y664 PolarHBondContact OD1-OH 3.3Å; D217-Y664 VanDerWaalsContact OD1-OH 3.05Å; D217-Y664 PolarHBondContact OD2-OH 3.17Å; Q219-Y664 HydrophobicContact CB-CE1 4.5Å; H569-Y664 AromaticContact CD2-CE2 3.43Å; H569-Y664 VanDerWaalsContact CD2-CE2 3.43Å; H569-Y664 WeakPolarHBondContact CD2-CE2 3.32Å; H569-Y664 AromaticContact CD2-CZ 3.6Å; H569-Y664 AromaticContact NE2-CE2 3.31Å; H569-Y664 VanDerWaalsContact NE2-CE2 3.31Å; H569-Y664 WeakPolarHBondContact NE2-CE2 3.02Å; H569-Y664 AromaticContact NE2-CZ 3.48Å; H569-Y664 PolarHBondContact NE2-OH 3.39Å; L570-Y664 PolarHBondContact N-O 2.79Å; R572-Y664 HydrophobicContact CB-CD2 4.38Å; R572-Y664 HydrophobicContact CG-CD2 4.41Å; F573-Y664 HydrophobicContact CD2-CE2 4.22Å; F573-Y664 AromaticContact CE2-CE2 3.96Å; F573-Y664 HydrophobicContact CE2-CE2 3.96Å; I617-Y664 WeakPolarHBondContact O-CA 3.12Å; I617-Y664 WeakPolarHBondContact O-CB 3.49Å; I617-Y664 PolarHBondContact O-N 3.05Å; H619-Y664 HydrophobicContact CB-CG 4.4Å; Y630-Y664 AromaticContact CE1-CD1 3.76Å; Y630-Y664 HydrophobicContact CE1-CD1 3.76Å; Y630-Y664 AromaticContact CE1-CE1 3.96Å; Y630-Y664 HydrophobicContact CE1-CE1 3.96Å; E662-Y664 PolarHBondContact O-N 3.27Å
665	V	97.9	Very high	94.1	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135	167.5	-177.6	0	0	0	0	108.9	Q219 L222 I568 H569 V616 I617 F667	Q219-V665 HydrophobicContact CB-CG2 4.24Å; L222-V665 HydrophobicContact CD1-CG1 4.07Å; I568-V665 CarbonylContact O-C 3.44Å; I568-V665 VanDerWaalsContact O-CA 3.27Å; I568-V665 WeakPolarHBondContact O-CA 3.43Å; H569-V665 HydrophobicContact CB-CG2 4.31Å; V616-V665 CarbonylContact C-O 3.59Å; V616-V665 WeakPolarHBondContact CA-O 3.48Å; I617-V665 HydrophobicContact CB-CB 4.23Å; I617-V665 HydrophobicContact CD1-CB 4.37Å; I617-V665 PolarHBondContact N-O 3.01Å; I617-V665 PolarHBondContact O-N 3.37Å; V665-F667 HydrophobicContact CG1-CD2 4.26Å; V665-F667 HydrophobicContact CG1-CE2 3.73Å; V665-F667 HydrophobicContact CG1-CZ 4.38Å
666	L	98.5	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.3	177.7	-53.9	97.6	0	0	0	109.6	C567 I568 L570 F589 L613 V616 A663 Y668	C567-L666 WeakPolarHBondContact CA-O 3.42Å; I568-L666 HydrophobicContact CB-CD1 4.48Å; I568-L666 PolarHBondContact N-O 3.02Å; I568-L666 PolarHBondContact O-N 2.88Å; L570-L666 HydrophobicContact CD1-CD1 4.13Å; L570-L666 HydrophobicContact CG-CD1 4.09Å; F589-L666 HydrophobicContact CB-CD2 3.97Å; F589-L666 HydrophobicContact CD1-CD2 4.04Å; F589-L666 HydrophobicContact CD2-CD2 3.56Å; F589-L666 HydrophobicContact CE1-CD2 4.47Å; F589-L666 HydrophobicContact CE2-CD2 4.01Å; F589-L666 HydrophobicContact CG-CD2 3.58Å; F589-L666 HydrophobicContact CZ-CD2 4.43Å; L613-L666 HydrophobicContact CD1-CB 3.88Å; L613-L666 HydrophobicContact CD1-CD2 3.96Å; L613-L666 HydrophobicContact CD1-CG 4.45Å; V616-L666 HydrophobicContact CG2-CD2 4.35Å; V616-L666 HydrophobicContact CG2-CG 4.13Å; A663-L666 HydrophobicContact CB-CD1 4.14Å; A663-L666 HydrophobicContact CB-CD2 4.1Å; A663-L666 HydrophobicContact CB-CG 4.16Å; L666-Y668 HydrophobicContact CB-CD2 4.06Å; L666-Y668 HydrophobicContact CB-CE2 3.73Å; L666-Y668 HydrophobicContact CD2-CE2 3.98Å; L666-Y668 HydrophobicContact CG-CE2 4.44Å
667	F	98.6	Very high	93.6	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119	173.7	-70.5	-103.9	0	0	0	109	A143 L144 L222 F433 I565 C567 L614 S615 I617 V665	A143-F667 HydrophobicContact CB-CD2 3.79Å; A143-F667 HydrophobicContact CB-CE2 3.52Å; A143-F667 HydrophobicContact CB-CZ 4.07Å; L144-F667 HydrophobicContact CD2-CE1 3.85Å; L144-F667 HydrophobicContact CD2-CZ 4.29Å; L222-F667 HydrophobicContact CD1-CE2 4.1Å; L222-F667 HydrophobicContact CD1-CZ 3.76Å; L222-F667 HydrophobicContact CD2-CZ 3.88Å; L222-F667 HydrophobicContact CG-CZ 4.48Å; F433-F667 HydrophobicContact CE1-CD1 4.41Å; F433-F667 HydrophobicContact CE1-CE1 4.32Å; I565-F667 HydrophobicContact CG2-CB 4.36Å; I565-F667 HydrophobicContact CG2-CD1 4.05Å; C567-F667 VanDerWaalsContact SG-CD1 3.55Å; C567-F667 WeakPolarHBondContact SG-CE1 3.41Å; L614-F667 PolarHBondContact N-O 2.78Å; S615-F667 PolarHBondContact N-O 3.34Å; S615-F667 PolarHBondContact O-N 3.46Å; I617-F667 HydrophobicContact CD1-CE2 4.08Å; V665-F667 HydrophobicContact CG1-CD2 4.26Å; V665-F667 HydrophobicContact CG1-CE2 3.73Å; V665-F667 HydrophobicContact CG1-CZ 4.38Å
668	Y	98.4	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.7	-178.5	-83.6	-84.8	0	0	0	110.6	L523 I565 L566 I568 P590 L594 D612 L613 L666	L523-Y668 HydrophobicContact CD2-CE2 3.73Å; L523-Y668 WeakPolarHBondContact CD2-OH 3.47Å; I565-Y668 CarbonylContact C-O 3.44Å; I565-Y668 VanDerWaalsContact CA-O 3.28Å; I565-Y668 WeakPolarHBondContact CA-O 3.34Å; L566-Y668 PolarHBondContact N-O 3.3Å; L566-Y668 PolarHBondContact O-N 2.98Å; I568-Y668 HydrophobicContact CD1-CD2 4.03Å; I568-Y668 HydrophobicContact CD1-CE2 4.19Å; P590-Y668 WeakPolarHBondContact O-CE1 3.34Å; P590-Y668 PolarHBondContact O-OH 2.89Å; L594-Y668 HydrophobicContact CB-CD1 4.31Å; L594-Y668 HydrophobicContact CB-CE1 4.04Å; L594-Y668 HydrophobicContact CD2-CD1 3.95Å; L594-Y668 HydrophobicContact CD2-CD2 4.04Å; L594-Y668 HydrophobicContact CD2-CE1 3.86Å; L594-Y668 HydrophobicContact CD2-CE2 3.91Å; L594-Y668 HydrophobicContact CD2-CG 4.06Å; D612-Y668 VanDerWaalsContact C-CD1 3.44Å; D612-Y668 CarbonylContact O-C 3.53Å; D612-Y668 VanDerWaalsContact O-CA 3.28Å; D612-Y668 WeakPolarHBondContact O-CA 3.47Å; L613-Y668 HydrophobicContact CB-CD1 4.18Å; L613-Y668 HydrophobicContact CB-CE1 3.79Å; L613-Y668 HydrophobicContact CD1-CD1 4.29Å; L613-Y668 HydrophobicContact CD1-CD2 3.98Å; L613-Y668 HydrophobicContact CD1-CE1 3.94Å; L613-Y668 HydrophobicContact CD1-CE2 3.61Å; L613-Y668 HydrophobicContact CD1-CG 4.29Å; L613-Y668 HydrophobicContact CG-CE1 4.48Å; L666-Y668 HydrophobicContact CB-CD2 4.06Å; L666-Y668 HydrophobicContact CB-CE2 3.73Å; L666-Y668 HydrophobicContact CD2-CE2 3.98Å; L666-Y668 HydrophobicContact CG-CE2 4.44Å
669	R	96.6	Very high	93	Very high	48 Å²	48	49.2 Å²	49.2	18%	0.181	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.7	168.4	59.2	165.1	178.1	-110.1	-11.8	110.7	I565 Y611 D612 L614	I565-R669 HydrophobicContact CD1-CB 3.75Å; Y611-R669 CarbonylContact C-O 3.3Å; Y611-R669 WeakPolarHBondContact CA-O 3.4Å; Y611-R669 WeakPolarHBondContact CD1-O 3.43Å; D612-R669 HydrophobicContact CB-CG 4.16Å; D612-R669 PolarHBondContact N-O 3.38Å; D612-R669 WeakPolarHBondContact O-CG 3.37Å; D612-R669 PolarHBondContact O-N 3.3Å; D612-R669 IonicContact OD2-NE 3.48Å; D612-R669 IonicContact OD2-NH2 3.42Å; L614-R669 HydrophobicContact CD1-CB 3.98Å; L614-R669 HydrophobicContact CD2-CB 4.21Å; L614-R669 HydrophobicContact CD2-CG 3.91Å; L614-R669 VanDerWaalsContact CD2-NH1 3.3Å; L614-R669 HydrophobicContact CG-CB 3.9Å; L614-R669 HydrophobicContact CG-CG 3.96Å
670	K	95.8	Very high	92.7	Very high	15 Å²	15	50.3 Å²	50.3	7%	0.065	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	146.6	161.9	-77.7	179.3	175.8	159.3	0	110.2	L562 P563 E564 V608 Y611 A710 E711	L562-K670 PolarHBondContact O-NZ 2.98Å; P563-K670 WeakPolarHBondContact O-CE 3.44Å; E564-K670 PolarHBondContact O-N 2.79Å; V608-K670 HydrophobicContact CB-CD 4.28Å; V608-K670 HydrophobicContact CG1-CB 4.02Å; V608-K670 HydrophobicContact CG1-CD 4.39Å; V608-K670 HydrophobicContact CG1-CG 4.31Å; Y611-K670 HydrophobicContact CD1-CG 4.27Å; Y611-K670 HydrophobicContact CE1-CB 4.36Å; Y611-K670 HydrophobicContact CE1-CG 3.58Å; Y611-K670 HydrophobicContact CE2-CG 4.18Å; Y611-K670 WeakPolarHBondContact OH-CE 3.28Å; K670-A710 HydrophobicContact CB-CB 3.54Å; K670-A710 HydrophobicContact CD-CB 4.24Å; K670-E711 WeakPolarHBondContact CE-OE2 3.24Å; K670-E711 IonicContact NZ-OE2 2.72Å; K670-E711 PolarHBondContact NZ-OE2 2.99Å
671	S	92.8	Very high	92.6	Very high	32 Å²	32	49.6 Å²	49.6	22%	0.224	23%	0.232	C	C	.	.			trans	-131	127.3	179.2	-159.3	0	0	0	0	110.9	V608 T610 D612	V608-S671 VanDerWaalsContact CG1-O 3.24Å; V608-S671 WeakPolarHBondContact CG1-O 3.46Å; T610-S671 PolarHBondContact O-N 2.83Å; T610-S671 PolarHBondContact OG1-O 2.93Å; D612-S671 WeakPolarHBondContact OD2-CB 3.36Å; D612-S671 PolarHBondContact OD2-OG 2.73Å
672	S	92.3	Very high	92.3	Very high	24 Å²	24	51.8 Å²	51.8	17%	0.168	24%	0.244	C	C	.	.			trans	-148.4	113.6	-177.2	163.3	0	0	0	0	110.7	E674 S675 V676	S672-E674 PolarHBondContact O-N 3.26Å; S672-S675 WeakPolarHBondContact CB-OG 3.43Å; S672-S675 PolarHBondContact O-N 2.94Å; S672-S675 PolarHBondContact O-OG 3.49Å; S672-S675 PolarHBondContact OG-N 2.7Å; S672-V676 PolarHBondContact O-N 3.42Å
673	E	89.3	Confident	91.9	Very high	174 Å²	174	50.9 Å²	50.9	81%	0.813	24%	0.242	S	C	*	.	H	α-helix	trans	-57.4	-34.1	176	-62.1	-171.8	162.2	0	0	112.4	V676 R677	E673-V676 PolarHBondContact O-N 2.78Å; E673-R677 VanDerWaalsContact O-CB 3.32Å; E673-R677 WeakPolarHBondContact O-CB 3.43Å; E673-R677 PolarHBondContact O-N 3.16Å
674	E	89.8	Confident	91.4	Very high	137 Å²	137	53.6 Å²	53.6	64%	0.64	26%	0.264	S	S	*	.	H	α-helix	trans	-63.6	-50.6	177.8	-177.6	155.7	-131.2	0	0	110.5	S672 V676 R677 E678	S672-E674 PolarHBondContact O-N 3.26Å; E674-V676 VanDerWaalsContact C-N 3.27Å; E674-V676 PolarHBondContact O-N 3.46Å; E674-R677 CarbonylContact O-C 3.54Å; E674-R677 WeakPolarHBondContact O-CA 3.21Å; E674-R677 WeakPolarHBondContact O-CB 3.4Å; E674-R677 PolarHBondContact O-N 2.92Å; E674-E678 HydrophobicContact CG-CG 4.4Å; E674-E678 VanDerWaalsContact O-CG 3.29Å; E674-E678 WeakPolarHBondContact O-CG 3.48Å; E674-E678 PolarHBondContact O-N 2.79Å
675	S	87.6	Confident	90.8	Very high	12 Å²	12	58.9 Å²	58.9	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-34.7	178.2	72.1	0	0	0	0	113	S672 R679	S672-S675 WeakPolarHBondContact CB-OG 3.43Å; S672-S675 PolarHBondContact O-N 2.94Å; S672-S675 PolarHBondContact O-OG 3.49Å; S672-S675 PolarHBondContact OG-N 2.7Å; S675-R679 WeakPolarHBondContact O-CG 3.13Å; S675-R679 PolarHBondContact O-N 3.08Å; S675-R679 VanDerWaalsContact O-N 3.08Å; S675-R679 PolarHBondContact O-NE 2.9Å; S675-R679 PolarHBondContact OG-NH2 3.01Å
676	V	88.1	Confident	89.7	Confident	47 Å²	47	61.3 Å²	61.3	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-65.7	-47.3	172.6	170.7	0	0	0	0	110.8	V103 S672 E673 E674 E678 R679 Q680	V103-V676 HydrophobicContact CG2-CG1 3.82Å; S672-V676 PolarHBondContact O-N 3.42Å; E673-V676 PolarHBondContact O-N 2.78Å; E674-V676 VanDerWaalsContact C-N 3.27Å; E674-V676 PolarHBondContact O-N 3.46Å; V676-E678 VanDerWaalsContact C-N 3.31Å; V676-E678 PolarHBondContact O-N 2.92Å; V676-R679 PolarHBondContact O-N 2.74Å; V676-Q680 WeakPolarHBondContact O-CG 3.39Å; V676-Q680 PolarHBondContact O-N 3.37Å
677	R	89.6	Confident	88.5	Confident	171 Å²	171	67.4 Å²	67.4	65%	0.645	35%	0.345	S	S	*	.	H	α-helix	trans	-64.3	-33.9	178	-169.9	-179.6	-178.3	-167.7	2.4	112.2	E673 E674 K681	E673-R677 VanDerWaalsContact O-CB 3.32Å; E673-R677 WeakPolarHBondContact O-CB 3.43Å; E673-R677 PolarHBondContact O-N 3.16Å; E674-R677 CarbonylContact O-C 3.54Å; E674-R677 WeakPolarHBondContact O-CA 3.21Å; E674-R677 WeakPolarHBondContact O-CB 3.4Å; E674-R677 PolarHBondContact O-N 2.92Å; R677-K681 WeakPolarHBondContact O-CG 3.49Å; R677-K681 PolarHBondContact O-N 2.92Å; R677-K681 VanDerWaalsContact O-N 3.1Å
678	E	89.3	Confident	87.2	Confident	85 Å²	85	73.1 Å²	73.1	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-69.5	-46.4	174.6	-64.1	-144.4	121.2	0	0	112.5	E674 V676 Q680 K681 V682	E674-E678 HydrophobicContact CG-CG 4.4Å; E674-E678 VanDerWaalsContact O-CG 3.29Å; E674-E678 WeakPolarHBondContact O-CG 3.48Å; E674-E678 PolarHBondContact O-N 2.79Å; V676-E678 VanDerWaalsContact C-N 3.31Å; V676-E678 PolarHBondContact O-N 2.92Å; E678-Q680 VanDerWaalsContact C-N 3.26Å; E678-Q680 PolarHBondContact O-N 2.89Å; E678-K681 WeakPolarHBondContact O-CB 3.5Å; E678-K681 PolarHBondContact O-N 3.45Å; E678-K681 VanDerWaalsContact O-N 3.11Å; E678-K681 IonicContact OE1-NZ 2.78Å; E678-V682 PolarHBondContact O-N 3.22Å
679	R	89.6	Confident	85.5	Confident	30 Å²	30	81.1 Å²	81.1	11%	0.113	41%	0.408	C	S	.	.	H	α-helix	trans	-54.6	-43.6	171.7	-77.3	-178.8	-85	-92.2	4.9	111.5	V103 S675 V676 K681 V682 V683 F706 F709	V103-R679 HydrophobicContact CB-CB 4.19Å; V103-R679 HydrophobicContact CG1-CB 3.94Å; V103-R679 HydrophobicContact CG2-CB 4.23Å; S675-R679 WeakPolarHBondContact O-CG 3.13Å; S675-R679 PolarHBondContact O-N 3.08Å; S675-R679 VanDerWaalsContact O-N 3.08Å; S675-R679 PolarHBondContact O-NE 2.9Å; S675-R679 PolarHBondContact OG-NH2 3.01Å; V676-R679 PolarHBondContact O-N 2.74Å; R679-K681 PolarHBondContact O-N 2.9Å; R679-V682 PolarHBondContact O-N 3.41Å; R679-V683 WeakPolarHBondContact O-CG2 3.27Å; R679-V683 PolarHBondContact O-N 3.21Å; R679-F706 HydrophobicContact CB-CE1 4.42Å; R679-F706 HydrophobicContact CB-CZ 4.45Å; R679-F706 VanDerWaalsContact CD-O 3.3Å; R679-F706 WeakPolarHBondContact CD-O 3.22Å; R679-F706 HydrophobicContact CG-CD1 4.29Å; R679-F706 HydrophobicContact CG-CE1 3.74Å; R679-F706 HydrophobicContact CG-CE2 4.5Å; R679-F706 HydrophobicContact CG-CZ 3.86Å; R679-F706 PolarHBondContact NH1-O 2.91Å; R679-F709 PolarHBondContact NH1-O 3.29Å
680	Q	86.8	Confident	84.1	Confident	101 Å²	101	86.5 Å²	86.5	47%	0.472	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-40.9	176.1	-72	171.9	-0.8	0	0	113.2	V103 V676 E678 A684	V103-Q680 HydrophobicContact CB-CG 4.49Å; V103-Q680 HydrophobicContact CG1-CG 3.84Å; V103-Q680 HydrophobicContact CG2-CG 3.78Å; V676-Q680 WeakPolarHBondContact O-CG 3.39Å; V676-Q680 PolarHBondContact O-N 3.37Å; E678-Q680 VanDerWaalsContact C-N 3.26Å; E678-Q680 PolarHBondContact O-N 2.89Å; Q680-A684 WeakPolarHBondContact O-CB 3.23Å; Q680-A684 PolarHBondContact O-N 3.01Å
681	K	88.6	Confident	82.6	Confident	98 Å²	98	92.1 Å²	92.1	43%	0.426	47%	0.473	S	S	.	.	H	α-helix	trans	-60.3	-45	173.1	-65.6	166.9	-156.9	163.6	0	111.1	R677 E678 R679 A684 L685	R677-K681 WeakPolarHBondContact O-CG 3.49Å; R677-K681 PolarHBondContact O-N 2.92Å; R677-K681 VanDerWaalsContact O-N 3.1Å; E678-K681 WeakPolarHBondContact O-CB 3.5Å; E678-K681 PolarHBondContact O-N 3.45Å; E678-K681 VanDerWaalsContact O-N 3.11Å; E678-K681 IonicContact OE1-NZ 2.78Å; R679-K681 PolarHBondContact O-N 2.9Å; K681-A684 PolarHBondContact O-N 3.32Å; K681-L685 WeakPolarHBondContact O-CB 3.5Å; K681-L685 VanDerWaalsContact O-CG 3.32Å; K681-L685 WeakPolarHBondContact O-CG 3.28Å; K681-L685 PolarHBondContact O-N 2.86Å
682	V	85.9	Confident	81.3	Confident	57 Å²	57	94.2 Å²	94.2	35%	0.345	49%	0.488	S	S	.	.	H	α-helix	trans	-65.9	-42.1	-178.2	174.9	0	0	0	0	111.3	A106 E678 R679 A684 L685 A686 F706	A106-V682 HydrophobicContact CB-CG1 4.13Å; E678-V682 PolarHBondContact O-N 3.22Å; R679-V682 PolarHBondContact O-N 3.41Å; V682-A684 PolarHBondContact O-N 2.94Å; V682-L685 PolarHBondContact O-N 3.17Å; V682-A686 WeakPolarHBondContact O-CB 3.49Å; V682-A686 PolarHBondContact O-N 2.87Å; V682-F706 HydrophobicContact CB-CE1 3.95Å; V682-F706 HydrophobicContact CB-CZ 4.07Å; V682-F706 HydrophobicContact CG1-CE1 4.1Å; V682-F706 HydrophobicContact CG2-CE1 3.9Å; V682-F706 HydrophobicContact CG2-CZ 3.56Å
683	V	83.4	Confident	80.2	Confident	31 Å²	31	101.7 Å²	101.7	19%	0.188	53%	0.525	C	S	.	.	H	α-helix	trans	-59.6	-44.5	172.7	172.4	0	0	0	0	111.5	V103 P104 A106 R679 L685 A686 N687	V103-V683 HydrophobicContact CG1-CG2 4.02Å; P104-V683 WeakPolarHBondContact O-CG2 3.16Å; A106-V683 HydrophobicContact CB-CG2 4.12Å; R679-V683 WeakPolarHBondContact O-CG2 3.27Å; R679-V683 PolarHBondContact O-N 3.21Å; V683-L685 VanDerWaalsContact C-N 3.34Å; V683-L685 PolarHBondContact O-N 2.97Å; V683-A686 PolarHBondContact O-N 3.05Å; V683-N687 PolarHBondContact O-N 3.29Å; V683-N687 PolarHBondContact O-ND2 2.91Å
684	A	83.9	Confident	79.2	Confident	57 Å²	57	99.1 Å²	99.1	47%	0.471	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-39.4	177.7	0	0	0	0	0	112.5	Q680 K681 V682	Q680-A684 WeakPolarHBondContact O-CB 3.23Å; Q680-A684 PolarHBondContact O-N 3.01Å; K681-A684 PolarHBondContact O-N 3.32Å; V682-A684 PolarHBondContact O-N 2.94Å
685	L	83.3	Confident	78.2	Confident	113 Å²	113	99.8 Å²	99.8	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-73.2	-33.9	177	-70.2	169.6	0	0	0	113	K681 V682 V683 N687 M688	K681-L685 WeakPolarHBondContact O-CB 3.5Å; K681-L685 VanDerWaalsContact O-CG 3.32Å; K681-L685 WeakPolarHBondContact O-CG 3.28Å; K681-L685 PolarHBondContact O-N 2.86Å; V682-L685 PolarHBondContact O-N 3.17Å; V683-L685 VanDerWaalsContact C-N 3.34Å; V683-L685 PolarHBondContact O-N 2.97Å; L685-N687 PolarHBondContact O-N 3.41Å; L685-M688 HydrophobicContact CD2-SD 4.32Å; L685-M688 WeakPolarHBondContact O-CA 3.46Å; L685-M688 WeakPolarHBondContact O-CB 3.37Å; L685-M688 PolarHBondContact O-N 3.04Å
686	A	76.1	Confident	77.7	Confident	55 Å²	55	107.4 Å²	107.4	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-61.5	-30.5	177.7	0	0	0	0	0	112.6	V682 V683 M688	V682-A686 WeakPolarHBondContact O-CB 3.49Å; V682-A686 PolarHBondContact O-N 2.87Å; V683-A686 PolarHBondContact O-N 3.05Å; A686-M688 VanDerWaalsContact C-N 3.25Å; A686-M688 PolarHBondContact O-N 3.3Å
687	N	73.2	Confident	77.1	Confident	128 Å²	128	112.3 Å²	112.3	68%	0.684	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-15	173.6	-67.3	-31.7	0	0	0	113.3	V683 L685 K689	V683-N687 PolarHBondContact O-N 3.29Å; V683-N687 PolarHBondContact O-ND2 2.91Å; L685-N687 PolarHBondContact O-N 3.41Å; N687-K689 PolarHBondContact O-N 2.89Å
688	M	71.5	Confident	76.7	Confident	121 Å²	121	108.1 Å²	108.1	60%	0.596	56%	0.556	S	S	*	*	S	Bend	trans	-93.6	79.4	178.4	-61	-178.5	65.7	0	0	110.4	L685 A686 E690	L685-M688 HydrophobicContact CD2-SD 4.32Å; L685-M688 WeakPolarHBondContact O-CA 3.46Å; L685-M688 WeakPolarHBondContact O-CB 3.37Å; L685-M688 PolarHBondContact O-N 3.04Å; A686-M688 VanDerWaalsContact C-N 3.25Å; A686-M688 PolarHBondContact O-N 3.3Å; M688-E690 VanDerWaalsContact C-N 3.35Å; M688-E690 PolarHBondContact O-N 3.39Å
689	K	62.1	Low	76.5	Confident	167 Å²	167	104.5 Å²	104.5	73%	0.726	54%	0.54	S	S	*	.			trans	-67.2	83.8	178.6	-70.4	-165.9	173.5	-170.3	0	112.4	E110 N687	E110-K689 IonicContact OE1-NZ 2.65Å; E110-K689 PolarHBondContact OE1-NZ 3.43Å; N687-K689 PolarHBondContact O-N 2.89Å
690	E	66.6	Low	76.2	Confident	162 Å²	162	111.9 Å²	111.9	76%	0.757	57%	0.568	S	S	*	*			trans	-79.5	133.3	170.1	-69.8	-162.4	157.9	0	0	112.3	M688 S692	M688-E690 VanDerWaalsContact C-N 3.35Å; M688-E690 PolarHBondContact O-N 3.39Å; E690-S692 PolarHBondContact O-N 3.15Å
691	P	64.9	Low	76.1	Confident	132 Å²	132	107.9 Å²	107.9	86%	0.857	55%	0.549	S	S	*	.			trans	-80.1	77.8	-179.1	32.7	-35.5	0	0	0	112.4
692	S	66.6	Low	76.1	Confident	77 Å²	77	105 Å²	105	54%	0.538	54%	0.535	S	S	.	.			trans	-72.5	137.9	171.5	179.2	0	0	0	0	112.4	E690 L694	E690-S692 PolarHBondContact O-N 3.15Å; S692-L694 VanDerWaalsContact C-N 3.27Å; S692-L694 WeakPolarHBondContact CB-O 3.4Å; S692-L694 PolarHBondContact OG-N 2.86Å; S692-L694 PolarHBondContact OG-O 2.99Å
693	L	67.4	Low	76.2	Confident	181 Å²	181	104.4 Å²	104.4	95%	0.948	53%	0.53	S	S	*	.	S	Bend	trans	-76.3	-14.3	167.2	-67.7	175.1	0	0	0	113
694	L	68.9	Low	76.5	Confident	119 Å²	119	103.2 Å²	103.2	62%	0.623	52%	0.522	S	S	*	.	S	Bend	trans	-105.8	120.6	177.2	-62.9	176.4	0	0	0	109.6	S692 F696	S692-L694 VanDerWaalsContact C-N 3.27Å; S692-L694 WeakPolarHBondContact CB-O 3.4Å; S692-L694 PolarHBondContact OG-N 2.86Å; S692-L694 PolarHBondContact OG-O 2.99Å; L694-F696 HydrophobicContact CB-CE2 3.82Å; L694-F696 HydrophobicContact CB-CZ 4.07Å; L694-F696 HydrophobicContact CD1-CZ 4.25Å
695	Q	69.5	Low	76.8	Confident	152 Å²	152	101.8 Å²	101.8	71%	0.71	51%	0.506	S	S	*	.			trans	-95.4	129.5	172.1	-65.6	-177.1	-9.3	0	0	109.3	Y697	Q695-Y697 HydrophobicContact CB-CE2 4.48Å; Q695-Y697 PolarHBondContact OE1-OH 3.03Å; Q695-Y697 VanDerWaalsContact OE1-OH 3.09Å
696	F	75.7	Confident	77.2	Confident	171 Å²	171	97.1 Å²	97.1	75%	0.75	48%	0.481	S	S	*	.			trans	-112.9	141.9	175.1	-62.1	-84.2	0	0	0	109.1	L694	L694-F696 HydrophobicContact CB-CE2 3.82Å; L694-F696 HydrophobicContact CB-CZ 4.07Å; L694-F696 HydrophobicContact CD1-CZ 4.25Å
697	Y	76.4	Confident	77.9	Confident	151 Å²	151	95.9 Å²	95.9	59%	0.592	47%	0.466	S	S	*	.			trans	-116.2	136.1	-179.9	-57.7	-80	0	0	0	110.1	Q695	Q695-Y697 HydrophobicContact CB-CE2 4.48Å; Q695-Y697 PolarHBondContact OE1-OH 3.03Å; Q695-Y697 VanDerWaalsContact OE1-OH 3.09Å
698	I	82.4	Confident	78.7	Confident	83 Å²	83	91.1 Å²	91.1	43%	0.426	44%	0.442	S	S	.	.			trans	-119.4	138.2	177.1	-61.1	177.4	0	0	0	106.6	W702 L703 I715	I698-W702 HydrophobicContact CG2-CD2 4.28Å; I698-W702 HydrophobicContact CG2-CE3 3.4Å; I698-W702 VanDerWaalsContact CG2-CE3 3.4Å; I698-W702 HydrophobicContact CG2-CZ3 4.03Å; I698-L703 HydrophobicContact CG2-CB 4.43Å; I698-I715 HydrophobicContact CD1-CD1 4.33Å
699	S	83.8	Confident	79.8	Confident	9 Å²	9	86 Å²	86	6%	0.063	42%	0.416	C	S	.	.			trans	-73.4	146.7	-175.3	69.1	0	0	0	0	111.8	E701 W702 L703 T719 F720	S699-E701 PolarHBondContact O-N 3.45Å; S699-W702 PolarHBondContact O-N 3.13Å; S699-W702 PolarHBondContact OG-N 3.17Å; S699-L703 WeakPolarHBondContact O-CB 3.25Å; S699-L703 PolarHBondContact O-N 3.23Å; S699-T719 WeakPolarHBondContact CB-OG1 3.1Å; S699-T719 PolarHBondContact OG-OG1 3.4Å; S699-F720 VanDerWaalsContact N-CZ 3.34Å
700	R	83.1	Confident	81.2	Confident	185 Å²	185	78.6 Å²	78.6	70%	0.698	39%	0.386	S	S	*	.	H	α-helix	trans	-57.2	-37.3	176.3	-70.3	-174.2	176	-141.8	-3.7	111.5	L703 N704	R700-L703 PolarHBondContact O-N 3.36Å; R700-N704 WeakPolarHBondContact O-CB 3.2Å; R700-N704 PolarHBondContact O-N 3Å
701	E	85.4	Confident	82.3	Confident	17 Å²	17	73.6 Å²	73.6	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-63.1	-48	175.8	-169.2	-158.5	137.5	0	0	112.3	L160 R426 S699 N704 K705 T719	L160-E701 HydrophobicContact CD1-CB 4.22Å; R426-E701 IonicContact CZ-OE1 2.76Å; R426-E701 IonicContact NH2-OE1 3.54Å; R426-E701 PolarHBondContact NH2-OE1 3.49Å; S699-E701 PolarHBondContact O-N 3.45Å; E701-N704 PolarHBondContact O-N 2.82Å; E701-K705 WeakPolarHBondContact O-CG 3.34Å; E701-K705 PolarHBondContact O-N 2.69Å; E701-K705 IonicContact OE1-NZ 3.85Å; E701-K705 PolarHBondContact OE1-NZ 3.49Å; E701-T719 HydrophobicContact CB-CG2 4.29Å; E701-T719 WeakPolarHBondContact OE2-CG2 3.44Å
702	W	89	Confident	83.4	Confident	36 Å²	36	68.9 Å²	68.9	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-67.3	-38.7	178.8	-174.3	89	0	0	0	111.6	I698 S699 K705 F706 G713 I715	I698-W702 HydrophobicContact CG2-CD2 4.28Å; I698-W702 HydrophobicContact CG2-CE3 3.4Å; I698-W702 VanDerWaalsContact CG2-CE3 3.4Å; I698-W702 HydrophobicContact CG2-CZ3 4.03Å; S699-W702 PolarHBondContact O-N 3.13Å; S699-W702 PolarHBondContact OG-N 3.17Å; W702-K705 CarbonylContact O-C 3.49Å; W702-K705 WeakPolarHBondContact O-CB 3.29Å; W702-K705 PolarHBondContact O-N 2.91Å; W702-F706 HydrophobicContact CE3-CB 4.03Å; W702-F706 HydrophobicContact CH2-CB 3.74Å; W702-F706 AromaticContact CH2-CD2 3.58Å; W702-F706 HydrophobicContact CH2-CD2 3.58Å; W702-F706 HydrophobicContact CH2-CE2 4.42Å; W702-F706 AromaticContact CH2-CG 3.75Å; W702-F706 HydrophobicContact CH2-CG 3.75Å; W702-F706 HydrophobicContact CZ2-CB 4.22Å; W702-F706 HydrophobicContact CZ2-CD2 4.16Å; W702-F706 HydrophobicContact CZ3-CB 3.63Å; W702-F706 HydrophobicContact CZ3-CD2 4.2Å; W702-F706 AromaticContact CZ3-CG 3.88Å; W702-F706 HydrophobicContact CZ3-CG 3.88Å; W702-F706 WeakPolarHBondContact O-CB 2.75Å; W702-F706 PolarHBondContact O-N 3.38Å; W702-G713 PolarHBondContact NE1-O 3.18Å; W702-I715 HydrophobicContact CD2-CG1 3.79Å; W702-I715 VanDerWaalsContact CE2-CG1 3.48Å; W702-I715 HydrophobicContact CE3-CG1 4Å; W702-I715 HydrophobicContact CH2-CD1 3.9Å; W702-I715 HydrophobicContact CH2-CG1 3.61Å; W702-I715 HydrophobicContact CZ2-CD1 4.17Å; W702-I715 HydrophobicContact CZ2-CG1 3.4Å; W702-I715 VanDerWaalsContact CZ2-CG1 3.4Å; W702-I715 HydrophobicContact CZ3-CD1 4.11Å; W702-I715 HydrophobicContact CZ3-CG1 3.91Å
703	L	87.6	Confident	84.4	Confident	45 Å²	45	67.2 Å²	67.2	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-39.7	177.1	-176.1	55.7	0	0	0	111.9	V107 I698 S699 R700 K705 F706 N707	V107-L703 HydrophobicContact CG2-CD2 3.64Å; V107-L703 HydrophobicContact CG2-CG 4.41Å; I698-L703 HydrophobicContact CG2-CB 4.43Å; S699-L703 WeakPolarHBondContact O-CB 3.25Å; S699-L703 PolarHBondContact O-N 3.23Å; R700-L703 PolarHBondContact O-N 3.36Å; L703-K705 VanDerWaalsContact C-N 3.33Å; L703-K705 PolarHBondContact O-N 3.1Å; L703-F706 HydrophobicContact CD1-CD1 4.49Å; L703-F706 PolarHBondContact O-N 2.84Å; L703-N707 WeakPolarHBondContact O-CB 3.46Å; L703-N707 VanDerWaalsContact O-CG 3.25Å; L703-N707 PolarHBondContact O-N 2.72Å; L703-N707 PolarHBondContact O-ND2 3.02Å
704	N	89	Confident	85.3	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.032	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-42.7	173.1	-168.5	-87.4	0	0	0	111.3	Q152 F153 D156 R700 E701 N707 T708	Q152-N704 WeakPolarHBondContact CB-ND2 3.48Å; Q152-N704 PolarHBondContact O-ND2 2.87Å; Q152-N704 VanDerWaalsContact O-ND2 3.13Å; F153-N704 PolarHBondContact N-ND2 2.92Å; F153-N704 PolarHBondContact N-OD1 3.34Å; D156-N704 PolarHBondContact OD2-ND2 3.34Å; R700-N704 WeakPolarHBondContact O-CB 3.2Å; R700-N704 PolarHBondContact O-N 3Å; E701-N704 PolarHBondContact O-N 2.82Å; N704-N707 PolarHBondContact O-N 3.45Å; N704-T708 WeakPolarHBondContact O-CB 3.25Å; N704-T708 PolarHBondContact O-N 3.47Å; N704-T708 VanDerWaalsContact O-N 3.14Å; N704-T708 PolarHBondContact O-OG1 3.47Å
705	K	91.4	Very high	86.2	Confident	28 Å²	28	62.7 Å²	62.7	12%	0.122	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-49.5	171.4	-75.4	170.9	169.4	173.3	0	112.3	D431 E701 W702 L703 N707 T708 F709 P712	D431-K705 IonicContact OD2-NZ 2.64Å; D431-K705 PolarHBondContact OD2-NZ 3.43Å; E701-K705 WeakPolarHBondContact O-CG 3.34Å; E701-K705 PolarHBondContact O-N 2.69Å; E701-K705 IonicContact OE1-NZ 3.85Å; E701-K705 PolarHBondContact OE1-NZ 3.49Å; W702-K705 CarbonylContact O-C 3.49Å; W702-K705 WeakPolarHBondContact O-CB 3.29Å; W702-K705 PolarHBondContact O-N 2.91Å; L703-K705 VanDerWaalsContact C-N 3.33Å; L703-K705 PolarHBondContact O-N 3.1Å; K705-N707 PolarHBondContact O-N 3.17Å; K705-T708 PolarHBondContact O-N 2.72Å; K705-F709 HydrophobicContact CB-CD1 4Å; K705-F709 HydrophobicContact CB-CE1 4.32Å; K705-F709 HydrophobicContact CB-CG 4.36Å; K705-F709 HydrophobicContact CG-CD1 3.81Å; K705-F709 HydrophobicContact CG-CE1 3.61Å; K705-F709 HydrophobicContact CG-CG 4.36Å; K705-F709 HydrophobicContact CG-CZ 4.03Å; K705-F709 WeakPolarHBondContact O-CB 3.44Å; K705-F709 PolarHBondContact O-N 3.15Å; K705-P712 HydrophobicContact CB-CB 4.05Å
706	F	91.7	Very high	86.6	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.066	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-36.1	176.7	178.3	-99.3	0	0	0	112.5	R679 V682 W702 L703 P712	R679-F706 HydrophobicContact CB-CE1 4.42Å; R679-F706 HydrophobicContact CB-CZ 4.45Å; R679-F706 VanDerWaalsContact CD-O 3.3Å; R679-F706 WeakPolarHBondContact CD-O 3.22Å; R679-F706 HydrophobicContact CG-CD1 4.29Å; R679-F706 HydrophobicContact CG-CE1 3.74Å; R679-F706 HydrophobicContact CG-CE2 4.5Å; R679-F706 HydrophobicContact CG-CZ 3.86Å; R679-F706 PolarHBondContact NH1-O 2.91Å; V682-F706 HydrophobicContact CB-CE1 3.95Å; V682-F706 HydrophobicContact CB-CZ 4.07Å; V682-F706 HydrophobicContact CG1-CE1 4.1Å; V682-F706 HydrophobicContact CG2-CE1 3.9Å; V682-F706 HydrophobicContact CG2-CZ 3.56Å; W702-F706 HydrophobicContact CE3-CB 4.03Å; W702-F706 HydrophobicContact CH2-CB 3.74Å; W702-F706 AromaticContact CH2-CD2 3.58Å; W702-F706 HydrophobicContact CH2-CD2 3.58Å; W702-F706 HydrophobicContact CH2-CE2 4.42Å; W702-F706 AromaticContact CH2-CG 3.75Å; W702-F706 HydrophobicContact CH2-CG 3.75Å; W702-F706 HydrophobicContact CZ2-CB 4.22Å; W702-F706 HydrophobicContact CZ2-CD2 4.16Å; W702-F706 HydrophobicContact CZ3-CB 3.63Å; W702-F706 HydrophobicContact CZ3-CD2 4.2Å; W702-F706 AromaticContact CZ3-CG 3.88Å; W702-F706 HydrophobicContact CZ3-CG 3.88Å; W702-F706 WeakPolarHBondContact O-CB 2.75Å; W702-F706 PolarHBondContact O-N 3.38Å; L703-F706 HydrophobicContact CD1-CD1 4.49Å; L703-F706 PolarHBondContact O-N 2.84Å; F706-P712 HydrophobicContact CB-CB 4.49Å; F706-P712 HydrophobicContact CD2-CG 4.36Å
707	N	89.1	Confident	86.6	Confident	29 Å²	29	54 Å²	54	16%	0.155	28%	0.279	C	S	.	.	H	α-helix	trans	-74.3	-23.9	176.7	-71.7	-31.4	0	0	0	114.1	A106 L703 N704 K705	A106-N707 PolarHBondContact N-OD1 3.43Å; L703-N707 WeakPolarHBondContact O-CB 3.46Å; L703-N707 VanDerWaalsContact O-CG 3.25Å; L703-N707 PolarHBondContact O-N 2.72Å; L703-N707 PolarHBondContact O-ND2 3.02Å; N704-N707 PolarHBondContact O-N 3.45Å; K705-N707 PolarHBondContact O-N 3.17Å
708	T	91.3	Very high	86.3	Confident	27 Å²	27	51.8 Å²	51.8	17%	0.166	27%	0.274	C	S	.	.	H	α-helix	trans	-128.3	-19.7	-166.5	60.4	0	0	0	0	116.8	P148 Q152 N704 K705	P148-T708 HydrophobicContact CB-CG2 4.07Å; Q152-T708 HydrophobicContact CB-CG2 4.21Å; Q152-T708 HydrophobicContact CG-CG2 3.9Å; N704-T708 WeakPolarHBondContact O-CB 3.25Å; N704-T708 PolarHBondContact O-N 3.47Å; N704-T708 VanDerWaalsContact O-N 3.14Å; N704-T708 PolarHBondContact O-OG1 3.47Å; K705-T708 PolarHBondContact O-N 2.72Å
709	F	93.8	Very high	85.5	Confident	14 Å²	14	50.1 Å²	50.1	6%	0.061	27%	0.268	C	S	.	.			trans	-96.7	149.8	178.7	-74	54.8	0	0	0	110.9	P149 D431 I432 E564 R679 K705 P712	P149-F709 HydrophobicContact CB-CD1 4.15Å; P149-F709 HydrophobicContact CB-CE1 3.67Å; P149-F709 HydrophobicContact CB-CZ 4.35Å; P149-F709 HydrophobicContact CG-CD1 4.25Å; P149-F709 HydrophobicContact CG-CE1 4.25Å; D431-F709 HydrophobicContact CB-CE2 4.48Å; D431-F709 HydrophobicContact CB-CZ 4.32Å; I432-F709 HydrophobicContact CG1-CE1 4.35Å; I432-F709 HydrophobicContact CG1-CZ 3.82Å; E564-F709 HydrophobicContact CB-CD2 3.89Å; E564-F709 HydrophobicContact CB-CE2 3.91Å; E564-F709 HydrophobicContact CG-CB 4.13Å; E564-F709 HydrophobicContact CG-CD1 4.25Å; E564-F709 HydrophobicContact CG-CD2 3.51Å; E564-F709 HydrophobicContact CG-CE2 3.92Å; E564-F709 HydrophobicContact CG-CG 3.69Å; E564-F709 HydrophobicContact CG-CZ 4.46Å; E564-F709 WeakPolarHBondContact OE1-CA 3.32Å; E564-F709 WeakPolarHBondContact OE2-CD2 3.21Å; R679-F709 PolarHBondContact NH1-O 3.29Å; K705-F709 HydrophobicContact CB-CD1 4Å; K705-F709 HydrophobicContact CB-CE1 4.32Å; K705-F709 HydrophobicContact CB-CG 4.36Å; K705-F709 HydrophobicContact CG-CD1 3.81Å; K705-F709 HydrophobicContact CG-CE1 3.61Å; K705-F709 HydrophobicContact CG-CG 4.36Å; K705-F709 HydrophobicContact CG-CZ 4.03Å; K705-F709 WeakPolarHBondContact O-CB 3.44Å; K705-F709 PolarHBondContact O-N 3.15Å; F709-P712 HydrophobicContact CB-CB 4.33Å
710	A	92.6	Very high	84.6	Confident	12 Å²	12	53.1 Å²	53.1	10%	0.099	28%	0.28	C	S	.	.	S	Bend	trans	-74.1	-34.3	164.7	0	0	0	0	0	111.8	E564 V608 K670 P712	E564-A710 PolarHBondContact OE1-N 2.98Å; V608-A710 HydrophobicContact CB-CB 4.47Å; V608-A710 HydrophobicContact CG1-CB 4.23Å; V608-A710 HydrophobicContact CG2-CB 4.25Å; K670-A710 HydrophobicContact CB-CB 3.54Å; K670-A710 HydrophobicContact CD-CB 4.24Å; A710-P712 WeakPolarHBondContact O-CD 3.43Å
711	E	88.9	Confident	83.8	Confident	57 Å²	57	46.8 Å²	46.8	27%	0.266	26%	0.259	S	S	.	.	S	Bend	trans	-122	71.4	-179.4	-65.8	176.5	118.5	0	0	111.3	Q607 V608 K670 G713	Q607-E711 WeakPolarHBondContact CB-OE1 3.44Å; Q607-E711 PolarHBondContact N-OE1 2.9Å; V608-E711 HydrophobicContact CB-CG 4.39Å; V608-E711 HydrophobicContact CG2-CG 3.93Å; K670-E711 WeakPolarHBondContact CE-OE2 3.24Å; K670-E711 IonicContact NZ-OE2 2.72Å; K670-E711 PolarHBondContact NZ-OE2 2.99Å; E711-G713 PolarHBondContact O-N 3.45Å
712	P	88.6	Confident	82.7	Confident	33 Å²	33	47.2 Å²	47.2	21%	0.214	26%	0.264	C	S	.	.			trans	-69.7	-12.1	-172.3	28.8	-37.2	0	0	0	115.3	K705 F706 F709 A710	K705-P712 HydrophobicContact CB-CB 4.05Å; F706-P712 HydrophobicContact CB-CB 4.49Å; F706-P712 HydrophobicContact CD2-CG 4.36Å; F709-P712 HydrophobicContact CB-CB 4.33Å; A710-P712 WeakPolarHBondContact O-CD 3.43Å
713	G	87.1	Confident	81.4	Confident	41 Å²	41	51.4 Å²	51.4	42%	0.423	29%	0.285	S	S	.	.			trans	74.8	175.8	-177.5	0	0	0	0	0	114.4	W702 E711	W702-G713 PolarHBondContact NE1-O 3.18Å; E711-G713 PolarHBondContact O-N 3.45Å
714	P	87.2	Confident	80.3	Confident	108 Å²	108	52 Å²	52	70%	0.701	29%	0.287	S	S	*	.			trans	-74	140.4	-174.9	29.3	-35	0	0	0	113.1	S716	P714-S716 PolarHBondContact O-N 2.83Å; P714-S716 PolarHBondContact O-OG 3.43Å; P714-S716 VanDerWaalsContact O-OG 3.08Å
715	I	86.2	Confident	78.7	Confident	98 Å²	98	53.9 Å²	53.9	50%	0.503	31%	0.307	S	S	.	.			trans	-54.1	125.1	167.7	-57.4	174	0	0	0	108.2	I698 W702	I698-I715 HydrophobicContact CD1-CD1 4.33Å; W702-I715 HydrophobicContact CD2-CG1 3.79Å; W702-I715 VanDerWaalsContact CE2-CG1 3.48Å; W702-I715 HydrophobicContact CE3-CG1 4Å; W702-I715 HydrophobicContact CH2-CD1 3.9Å; W702-I715 HydrophobicContact CH2-CG1 3.61Å; W702-I715 HydrophobicContact CZ2-CD1 4.17Å; W702-I715 HydrophobicContact CZ2-CG1 3.4Å; W702-I715 VanDerWaalsContact CZ2-CG1 3.4Å; W702-I715 HydrophobicContact CZ3-CD1 4.11Å; W702-I715 HydrophobicContact CZ3-CG1 3.91Å
716	S	78.9	Confident	78.1	Confident	44 Å²	44	55.2 Å²	55.2	31%	0.308	32%	0.316	S	S	.	.			trans	-156.8	143.3	-174.8	49.8	0	0	0	0	112.1	P714 H718	P714-S716 PolarHBondContact O-N 2.83Å; P714-S716 PolarHBondContact O-OG 3.43Å; P714-S716 VanDerWaalsContact O-OG 3.08Å; S716-H718 PolarHBondContact O-N 3.18Å; S716-H718 PolarHBondContact OG-CE1 2.92Å; S716-H718 PolarHBondContact OG-ND1 2.79Å
717	N	75.1	Confident	77.4	Confident	96 Å²	96	57.3 Å²	57.3	51%	0.513	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-75.9	4.8	-169.4	-62.3	-6.1	0	0	0	114.6	T719 F720 L721	N717-T719 PolarHBondContact O-N 3.18Å; N717-F720 PolarHBondContact O-N 3.03Å; N717-L721 HydrophobicContact CB-CB 4.38Å; N717-L721 HydrophobicContact CB-CD1 3.85Å; N717-L721 HydrophobicContact CB-CG 4.05Å; N717-L721 PolarHBondContact O-N 3.18Å
718	H	69.9	Low	76.7	Confident	105 Å²	105	58.8 Å²	58.8	49%	0.486	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61.6	-13.9	-173.5	74.7	-89.8	0	0	0	114.9	R426 S716	R426-H718 PolarHBondContact NH1-NE2 3.08Å; S716-H718 PolarHBondContact O-N 3.18Å; S716-H718 PolarHBondContact OG-CE1 2.92Å; S716-H718 PolarHBondContact OG-ND1 2.79Å
719	T	66.8	Low	75.9	Confident	48 Å²	48	60.7 Å²	60.7	29%	0.294	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-96	-13.8	178.3	44.7	0	0	0	0	113.3	S699 E701 N717	S699-T719 WeakPolarHBondContact CB-OG1 3.1Å; S699-T719 PolarHBondContact OG-OG1 3.4Å; E701-T719 HydrophobicContact CB-CG2 4.29Å; E701-T719 WeakPolarHBondContact OE2-CG2 3.44Å; N717-T719 PolarHBondContact O-N 3.18Å
720	F	64.3	Low	74.7	Confident	72 Å²	72	63.6 Å²	63.6	32%	0.316	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-43.6	178.8	-66.4	-61.3	0	0	0	112.2	V66 S699 N717	V66-F720 WeakPolarHBondContact CG1-O 3.39Å; S699-F720 VanDerWaalsContact N-CZ 3.34Å; N717-F720 PolarHBondContact O-N 3.03Å
721	L	65.4	Low	73.6	Confident	52 Å²	52	67.1 Å²	67.1	27%	0.272	39%	0.385	S	S	.	.	S	Bend	trans	-109.5	146.4	-173.3	-56.2	-175.5	0	0	0	109	L68 N717	L68-L721 HydrophobicContact CD2-CD2 4.3Å; N717-L721 HydrophobicContact CB-CB 4.38Å; N717-L721 HydrophobicContact CB-CD1 3.85Å; N717-L721 HydrophobicContact CB-CG 4.05Å; N717-L721 PolarHBondContact O-N 3.18Å
722	C	63.2	Low	72.5	Confident	26 Å²	26	67.8 Å²	67.8	18%	0.176	39%	0.394	C	S	.	.			trans	-76.5	166.3	173.1	83.4	0	0	0	0	109.4	C59 H724 G725	C59-C722 PolarHBondContact SG-SG 2.75Å; C722-H724 PolarHBondContact O-N 3.32Å; C722-H724 PolarHBondContact SG-N 3.23Å; C722-H724 VanDerWaalsContact SG-N 3.39Å; C722-H724 PolarHBondContact SG-ND1 3.01Å; C722-H724 VanDerWaalsContact SG-ND1 3.38Å; C722-G725 PolarHBondContact N-O 2.71Å; C722-G725 CarbonylContact O-C 3.57Å; C722-G725 PolarHBondContact O-N 3.14Å; C722-G725 PolarHBondContact SG-O 3.03Å
723	Q	61.6	Low	71.2	Confident	123 Å²	123	70.5 Å²	70.5	58%	0.575	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-5.7	177.4	74.4	-165.6	16.6	0	0	115.1	T238	T238-Q723 PolarHBondContact OG1-OE1 2.97Å
724	H	63.8	Low	69.9	Low	58 Å²	58	72.9 Å²	72.9	27%	0.269	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-3.8	178	-40.9	108.3	0	0	0	112.8	N47 L48 V61 C722	N47-H724 HydrophobicContact CB-CB 4.04Å; N47-H724 PolarHBondContact ND2-CD2 2.75Å; L48-H724 WeakPolarHBondContact CD1-O 3.41Å; V61-H724 WeakPolarHBondContact CG1-CE1 3.29Å; C722-H724 PolarHBondContact O-N 3.32Å; C722-H724 PolarHBondContact SG-N 3.23Å; C722-H724 VanDerWaalsContact SG-N 3.39Å; C722-H724 PolarHBondContact SG-ND1 3.01Å; C722-H724 VanDerWaalsContact SG-ND1 3.38Å
725	G	56.4	Low	68.3	Low	45 Å²	45	69.7 Å²	69.7	46%	0.464	38%	0.38	S	S	.	.			trans	124.7	0	-169.4	0	0	0	0	0	113.1	L48 C722	L48-G725 VanDerWaalsContact CD1-C 3.4Å; L48-G725 WeakPolarHBondContact CD1-O 3.46Å; C722-G725 PolarHBondContact N-O 2.71Å; C722-G725 CarbonylContact O-C 3.57Å; C722-G725 PolarHBondContact O-N 3.14Å; C722-G725 PolarHBondContact SG-O 3.03Å

Retrieved 725 of 725 residues in 177.7 ms (Link to these results)

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