A0A023IMI8_RAT Loading...

Antigen peptide transporter 1

ABC transporter associated with antigen processing. In complex with TAP2 mediates unidirectional translocation of peptide antigens from cytosol to endoplasmic reticulum (ER) for loading onto MHC class I (MHCI) molecules. Uses the chemical energy of ATP to export peptides against the concentration gradient. During the transport cycle alternates between 'inward-facing' state with peptide binding site facing the cytosol to 'outward-facing' state with peptide binding site facing the ER lumen. Peptide antigen binding to ATP-loaded TAP1-TAP2 induces a switch to hydrolysis-competent 'outward-facing' conformation ready for peptide loading onto nascent MHCI molecules. Subsequently ATP hydrolysis resets the transporter to the 'inward facing' state for a new cycle. As a component of the peptide loading complex (PLC), acts as a molecular scaffold essential for peptide-MHCI assembly and antigen presentation.

AlphaFold DB , UniProt , Accession A0A023IMI8, Species RAT (Rattus norvegicus, Rat), Gene Tap2, Length 725 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	47.1	Very low	232 Å²	232	93 Å²	93	100%	1.143	54%	0.538	S	S	*	.				0	-16.7	0	-72.1	175.3	96.4	0	0	114.8	A3	M1-A3 PolarHBondContact O-N 3.16Å
2	A	36.8	Very low	48.3	Very low	77 Å²	77	94.8 Å²	94.8	64%	0.636	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-76.8	-14	-177.2	0	0	0	0	0	116.5
3	A	36.2	Very low	49.6	Very low	87 Å²	87	90.1 Å²	90.1	72%	0.719	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-77.9	-19.3	-174.7	0	0	0	0	0	114.7	M1	M1-A3 PolarHBondContact O-N 3.16Å
4	H	38.6	Very low	50.4	Low	153 Å²	153	87.3 Å²	87.3	71%	0.708	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-94.3	-4.4	-178.7	-71.2	-58.3	0	0	0	114.4	P7	H4-P7 WeakPolarHBondContact O-CD 3.46Å
5	A	45.8	Very low	51.4	Low	33 Å²	33	86.3 Å²	86.3	27%	0.273	49%	0.489	S	S	.	.	H	α-helix	trans	-84.8	-18.3	-178	0	0	0	0	0	113.7	T8 A9 W69	A5-T8 PolarHBondContact O-OG1 2.78Å; A5-T8 VanDerWaalsContact O-OG1 3.04Å; A5-A9 WeakPolarHBondContact O-CB 3.28Å; A5-A9 PolarHBondContact O-N 3.02Å; A5-A9 VanDerWaalsContact O-N 3.14Å; A5-W69 HydrophobicContact CB-CH2 3.31Å; A5-W69 HydrophobicContact CB-CZ2 3.8Å; A5-W69 HydrophobicContact CB-CZ3 3.98Å; A5-W69 VanDerWaalsContact O-CZ3 3.29Å; A5-W69 WeakPolarHBondContact O-CZ3 3.36Å
6	W	48.3	Very low	52.2	Low	126 Å²	126	84.4 Å²	84.4	48%	0.477	48%	0.48	S	S	.	.	H	α-helix	trans	-66.1	-50.8	177.8	-174.7	45.2	0	0	0	114.7	T8 A10 W69	W6-T8 VanDerWaalsContact C-N 3.31Å; W6-T8 PolarHBondContact O-N 2.93Å; W6-A10 WeakPolarHBondContact O-CB 3.46Å; W6-A10 PolarHBondContact O-N 3.48Å; W6-A10 VanDerWaalsContact O-N 3.13Å; W6-W69 VanDerWaalsContact CA-CZ3 3.44Å; W6-W69 HydrophobicContact CB-CE3 3.81Å; W6-W69 HydrophobicContact CB-CZ3 4.07Å; W6-W69 HydrophobicContact CG-CE3 4.29Å
7	P	52.8	Low	53	Low	69 Å²	69	79.5 Å²	79.5	45%	0.448	45%	0.452	S	S	.	.	H	α-helix	trans	-65.9	-35.9	179.2	24.1	-32.9	0	0	0	111.8	H4 L11	H4-P7 WeakPolarHBondContact O-CD 3.46Å; P7-L11 VanDerWaalsContact O-CB 3.26Å; P7-L11 WeakPolarHBondContact O-CB 3.27Å; P7-L11 PolarHBondContact O-N 3.42Å
8	T	53.5	Low	53.5	Low	88 Å²	88	83.6 Å²	83.6	54%	0.54	46%	0.459	S	S	.	.	H	α-helix	trans	-70.6	-43.6	-178.2	53	0	0	0	0	112.4	A5 W6 L11 L12	A5-T8 PolarHBondContact O-OG1 2.78Å; A5-T8 VanDerWaalsContact O-OG1 3.04Å; W6-T8 VanDerWaalsContact C-N 3.31Å; W6-T8 PolarHBondContact O-N 2.93Å; T8-L11 PolarHBondContact O-N 2.81Å; T8-L12 WeakPolarHBondContact O-CB 3.1Å; T8-L12 PolarHBondContact O-N 2.94Å
9	A	57	Low	53.9	Low	33 Å²	33	84.9 Å²	84.9	27%	0.273	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-38.2	177.1	0	0	0	0	0	112.7	A5 L12 L13 W69	A5-A9 WeakPolarHBondContact O-CB 3.28Å; A5-A9 PolarHBondContact O-N 3.02Å; A5-A9 VanDerWaalsContact O-N 3.14Å; A9-L12 PolarHBondContact O-N 3.29Å; A9-L13 PolarHBondContact O-N 2.62Å; A9-W69 HydrophobicContact CB-CZ3 4.32Å
10	A	57.3	Low	54.2	Low	16 Å²	16	86.2 Å²	86.2	13%	0.132	47%	0.471	C	S	.	.	H	α-helix	trans	-63	-47.1	172.6	0	0	0	0	0	110.8	W6 L12 L13 L14 L73	W6-A10 WeakPolarHBondContact O-CB 3.46Å; W6-A10 PolarHBondContact O-N 3.48Å; W6-A10 VanDerWaalsContact O-N 3.13Å; A10-L12 VanDerWaalsContact C-N 3.27Å; A10-L12 PolarHBondContact O-N 2.75Å; A10-L13 PolarHBondContact O-N 3.29Å; A10-L14 WeakPolarHBondContact O-CG 3.5Å; A10-L14 PolarHBondContact O-N 2.62Å; A10-L73 HydrophobicContact CB-CD2 4.19Å
11	L	58.8	Low	54.6	Low	109 Å²	109	82.9 Å²	82.9	57%	0.571	45%	0.453	S	S	*	.	H	α-helix	trans	-60.9	-36	178.5	-149.7	110.7	0	0	0	112.5	P7 T8 L14 L15	P7-L11 VanDerWaalsContact O-CB 3.26Å; P7-L11 WeakPolarHBondContact O-CB 3.27Å; P7-L11 PolarHBondContact O-N 3.42Å; T8-L11 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 3.42Å; L11-L15 HydrophobicContact CD2-CD1 4.01Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.06Å
12	L	61.9	Low	56	Low	114 Å²	114	74 Å²	74	60%	0.597	41%	0.406	S	S	*	.	H	α-helix	trans	-71.9	-39.6	179.5	-146.1	146.1	0	0	0	111.8	T8 A9 A10 L14 L15 V16	T8-L12 WeakPolarHBondContact O-CB 3.1Å; T8-L12 PolarHBondContact O-N 2.94Å; A9-L12 PolarHBondContact O-N 3.29Å; A10-L12 VanDerWaalsContact C-N 3.27Å; A10-L12 PolarHBondContact O-N 2.75Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 2.81Å; L12-V16 HydrophobicContact CD2-CG2 4.26Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.33Å
13	L	64.3	Low	57.1	Low	34 Å²	34	74.2 Å²	74.2	18%	0.178	40%	0.401	C	S	.	.	H	α-helix	trans	-62	-39.6	170.4	-89.3	156.4	0	0	0	112.1	A9 A10 D17 L52 V56 L73	A9-L13 PolarHBondContact O-N 2.62Å; A10-L13 PolarHBondContact O-N 3.29Å; L13-D17 VanDerWaalsContact O-CB 3.24Å; L13-D17 WeakPolarHBondContact O-CB 3.25Å; L13-D17 PolarHBondContact O-N 3.32Å; L13-L52 HydrophobicContact CD2-CD2 3.92Å; L13-V56 HydrophobicContact CD1-CG2 3.89Å; L13-V56 HydrophobicContact CD2-CG2 4.07Å; L13-L73 HydrophobicContact CD1-CD1 4.39Å; L13-L73 HydrophobicContact CD1-CD2 4.42Å
14	L	61.5	Low	58.3	Low	51 Å²	51	73.8 Å²	73.8	27%	0.267	39%	0.39	S	S	.	.	H	α-helix	trans	-66.6	-39.3	176	-65.3	178	0	0	0	112.4	A10 L11 L12 W18 L80 Y121	A10-L14 WeakPolarHBondContact O-CG 3.5Å; A10-L14 PolarHBondContact O-N 2.62Å; L11-L14 PolarHBondContact O-N 3.42Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.97Å; L14-W18 WeakPolarHBondContact O-CB 3.48Å; L14-W18 PolarHBondContact O-N 2.99Å; L14-L80 HydrophobicContact CD2-CD1 3.81Å; L14-Y121 HydrophobicContact CD1-CE1 4.45Å; L14-Y121 HydrophobicContact CD2-CE1 3.31Å; L14-Y121 WeakPolarHBondContact CD2-OH 3.36Å; L14-Y121 HydrophobicContact CG-CE1 4.46Å
15	L	65.1	Low	59.5	Low	72 Å²	72	67.2 Å²	67.2	38%	0.377	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-43.8	175.5	-83.4	161.5	0	0	0	112.3	L11 L12 D17 W18 L19	L11-L15 HydrophobicContact CD2-CD1 4.01Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 2.81Å; L15-D17 VanDerWaalsContact C-N 3.35Å; L15-W18 HydrophobicContact CD2-CE3 4.05Å; L15-W18 HydrophobicContact CD2-CZ3 4.32Å; L15-W18 PolarHBondContact O-N 3.39Å; L15-L19 HydrophobicContact CD2-CD1 4.14Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 PolarHBondContact O-N 3.2Å
16	V	65.2	Low	60.2	Low	56 Å²	56	67.8 Å²	67.8	34%	0.339	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-41.7	177.2	170.4	0	0	0	0	111.1	L12 W18 L20 L21	L12-V16 HydrophobicContact CD2-CG2 4.26Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.33Å; V16-W18 VanDerWaalsContact C-N 3.3Å; V16-W18 PolarHBondContact O-N 2.96Å; V16-L20 PolarHBondContact O-N 2.98Å; V16-L20 VanDerWaalsContact O-N 3.16Å; V16-L21 HydrophobicContact CG1-CD1 4.35Å
17	D	65.6	Low	60.8	Low	2 Å²	2	63.7 Å²	63.7	1%	0.011	36%	0.357	C	S	.	.	I	π-helix	trans	-63.8	-36.2	175.5	-172.4	47.4	0	0	0	112.6	L13 L15 R22 R48 L52	L13-D17 VanDerWaalsContact O-CB 3.24Å; L13-D17 WeakPolarHBondContact O-CB 3.25Å; L13-D17 PolarHBondContact O-N 3.32Å; L15-D17 VanDerWaalsContact C-N 3.35Å; D17-R22 WeakPolarHBondContact O-CB 3.25Å; D17-R22 PolarHBondContact O-N 3.21Å; D17-R48 IonicContact OD1-CZ 3.81Å; D17-R48 IonicContact OD1-NE 3.52Å; D17-R48 PolarHBondContact OD1-NE 3.38Å; D17-R48 IonicContact OD1-NH2 2.79Å; D17-R48 PolarHBondContact OD1-NH2 3.43Å; D17-R48 IonicContact OD2-CZ 3.31Å; D17-R48 IonicContact OD2-NE 3.52Å; D17-R48 IonicContact OD2-NH2 2.62Å; D17-R48 PolarHBondContact OD2-NH2 2.99Å; D17-L52 HydrophobicContact CB-CD2 4.35Å
18	W	61.5	Low	61.2	Low	153 Å²	153	64.4 Å²	64.4	58%	0.58	36%	0.357	S	S	*	.	I	π-helix	trans	-76.3	-45.2	-179	-176.5	53.1	0	0	0	113.7	L14 L15 V16	L14-W18 WeakPolarHBondContact O-CB 3.48Å; L14-W18 PolarHBondContact O-N 2.99Å; L15-W18 HydrophobicContact CD2-CE3 4.05Å; L15-W18 HydrophobicContact CD2-CZ3 4.32Å; L15-W18 PolarHBondContact O-N 3.39Å; V16-W18 VanDerWaalsContact C-N 3.3Å; V16-W18 PolarHBondContact O-N 2.96Å
19	L	60.6	Low	61.5	Low	109 Å²	109	62.6 Å²	62.6	57%	0.571	34%	0.341	S	S	*	.	I	π-helix	trans	-86.4	-35.9	-172.7	-81.5	154.1	0	0	0	114.2	L15 P23	L15-L19 HydrophobicContact CD2-CD1 4.14Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 PolarHBondContact O-N 3.2Å; L19-P23 WeakPolarHBondContact O-CG 3.28Å
20	L	59.5	Low	61.6	Low	110 Å²	110	63.5 Å²	63.5	58%	0.576	35%	0.345	S	S	*	.	I	π-helix	trans	-109.3	-51.5	-169.3	-80	158.4	0	0	0	113.2	V16 V24	V16-L20 PolarHBondContact O-N 2.98Å; V16-L20 VanDerWaalsContact O-N 3.16Å; L20-V24 WeakPolarHBondContact O-CB 3.14Å; L20-V24 VanDerWaalsContact O-CG2 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.23Å
21	L	63.3	Low	61.7	Low	17 Å²	17	69.9 Å²	69.9	9%	0.089	38%	0.376	C	S	.	.	I	π-helix	trans	-76.6	-38.8	-169.8	-76.9	155	0	0	0	112.6	V16 L25 I51 L52	V16-L21 HydrophobicContact CG1-CD1 4.35Å; L21-L25 HydrophobicContact CB-CD1 4.1Å; L21-L25 HydrophobicContact CD2-CD1 3.42Å; L21-L25 VanDerWaalsContact CD2-CD1 3.42Å; L21-L25 HydrophobicContact CD2-CG 4.36Å; L21-L25 HydrophobicContact CG-CD1 4.4Å; L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 PolarHBondContact O-N 3.37Å; L21-I51 HydrophobicContact CD1-CG2 4.32Å; L21-I51 HydrophobicContact CD2-CB 4.06Å; L21-I51 HydrophobicContact CD2-CD1 3.66Å; L21-I51 HydrophobicContact CD2-CG1 4.47Å; L21-I51 HydrophobicContact CD2-CG2 3.83Å; L21-L52 HydrophobicContact CD1-CD2 3.74Å; L21-L52 HydrophobicContact CD1-CG 3.99Å
22	R	62.2	Low	61.6	Low	44 Å²	44	70.6 Å²	70.6	17%	0.166	38%	0.38	C	S	.	.	H	α-helix	trans	-69.7	-40	-175.2	-162.6	174.9	-179.6	-171.4	-2.8	115.5	D17 P26 N111	D17-R22 WeakPolarHBondContact O-CB 3.25Å; D17-R22 PolarHBondContact O-N 3.21Å; R22-P26 VanDerWaalsContact O-CD 3.28Å; R22-P26 WeakPolarHBondContact O-CD 3.46Å; R22-P26 WeakPolarHBondContact O-CG 3.35Å; R22-N111 WeakPolarHBondContact CG-OD1 3.24Å; R22-N111 VanDerWaalsContact CZ-O 3.31Å; R22-N111 PolarHBondContact NE-O 2.81Å; R22-N111 PolarHBondContact NE-OD1 3.48Å; R22-N111 VanDerWaalsContact NE-OD1 3.14Å; R22-N111 PolarHBondContact NH2-O 2.62Å; R22-N111 PolarHBondContact O-ND2 3Å
23	P	60.3	Low	61.4	Low	83 Å²	83	67 Å²	67	54%	0.539	36%	0.363	S	S	.	.	H	α-helix	trans	-82.9	-31.6	177.8	27.7	-30.4	0	0	0	113.8	L19	L19-P23 WeakPolarHBondContact O-CG 3.28Å
24	V	60.4	Low	61	Low	78 Å²	78	69.9 Å²	69.9	47%	0.473	38%	0.384	S	S	.	.	H	α-helix	trans	-86.7	-43.4	-169.4	179.5	0	0	0	0	112.9	L20 G27 I28	L20-V24 WeakPolarHBondContact O-CB 3.14Å; L20-V24 VanDerWaalsContact O-CG2 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.23Å; V24-G27 PolarHBondContact O-N 3.31Å; V24-I28 HydrophobicContact CG1-CD1 3.65Å; V24-I28 HydrophobicContact CG1-CG1 4.34Å; V24-I28 WeakPolarHBondContact O-CG1 3.4Å; V24-I28 PolarHBondContact O-N 3.45Å
25	L	64.5	Low	60.5	Low	15 Å²	15	76.1 Å²	76.1	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-60.4	-42	-176.2	-83.9	160.9	0	0	0	114.6	L21 G27 I28 F29 V44 R48 I51	L21-L25 HydrophobicContact CB-CD1 4.1Å; L21-L25 HydrophobicContact CD2-CD1 3.42Å; L21-L25 VanDerWaalsContact CD2-CD1 3.42Å; L21-L25 HydrophobicContact CD2-CG 4.36Å; L21-L25 HydrophobicContact CG-CD1 4.4Å; L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 PolarHBondContact O-N 3.37Å; L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.14Å; L25-I28 PolarHBondContact O-N 3.34Å; L25-F29 HydrophobicContact CD2-CD2 4.08Å; L25-F29 HydrophobicContact CD2-CE2 3.74Å; L25-F29 WeakPolarHBondContact O-CD2 3.25Å; L25-F29 PolarHBondContact O-N 3.22Å; L25-F29 VanDerWaalsContact O-N 3.1Å; L25-V44 HydrophobicContact CB-CG1 4.23Å; L25-R48 HydrophobicContact CD1-CB 4.27Å; L25-I51 HydrophobicContact CD1-CD1 4.34Å; L25-I51 HydrophobicContact CD2-CD1 4.37Å
26	P	61.5	Low	60.4	Low	44 Å²	44	76 Å²	76	29%	0.286	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-32.4	179	-19.2	31.1	0	0	0	113.3	R22 S30 N111	R22-P26 VanDerWaalsContact O-CD 3.28Å; R22-P26 WeakPolarHBondContact O-CD 3.46Å; R22-P26 WeakPolarHBondContact O-CG 3.35Å; P26-S30 WeakPolarHBondContact O-CB 3.49Å; P26-S30 PolarHBondContact O-N 2.85Å; P26-S30 PolarHBondContact O-OG 2.94Å; P26-N111 VanDerWaalsContact CG-ND2 3.33Å; P26-N111 WeakPolarHBondContact CG-ND2 3.27Å
27	G	59.4	Low	60.2	Low	40 Å²	40	76 Å²	76	41%	0.412	41%	0.414	S	S	.	.	H	α-helix	trans	-73.7	-29.4	178.1	0	0	0	0	0	113.6	V24 L25 S30	V24-G27 PolarHBondContact O-N 3.31Å; L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.14Å; G27-S30 PolarHBondContact O-OG 3.27Å
28	I	62	Low	59.9	Low	85 Å²	85	78.3 Å²	78.3	44%	0.436	43%	0.427	S	S	.	.	H	α-helix	trans	-76.3	-44	175.1	-64.3	171.7	0	0	0	110.4	V24 L25 S30 L31 L32	V24-I28 HydrophobicContact CG1-CD1 3.65Å; V24-I28 HydrophobicContact CG1-CG1 4.34Å; V24-I28 WeakPolarHBondContact O-CG1 3.4Å; V24-I28 PolarHBondContact O-N 3.45Å; L25-I28 PolarHBondContact O-N 3.34Å; I28-S30 PolarHBondContact O-N 3.49Å; I28-L31 PolarHBondContact O-N 2.89Å; I28-L32 HydrophobicContact CG2-CD1 4.41Å
29	F	60.1	Low	60	Low	50 Å²	50	76 Å²	76	22%	0.219	43%	0.426	C	S	.	.	H	α-helix	trans	-79.3	-14.1	-178	-81.4	-79.4	0	0	0	114.2	L25 L31 V33 A43 V44	L25-F29 HydrophobicContact CD2-CD2 4.08Å; L25-F29 HydrophobicContact CD2-CE2 3.74Å; L25-F29 WeakPolarHBondContact O-CD2 3.25Å; L25-F29 PolarHBondContact O-N 3.22Å; L25-F29 VanDerWaalsContact O-N 3.1Å; F29-L31 VanDerWaalsContact C-N 3.31Å; F29-V33 PolarHBondContact O-N 3.12Å; F29-A43 HydrophobicContact CD1-CB 4.07Å; F29-A43 HydrophobicContact CE1-CB 4.04Å; F29-V44 HydrophobicContact CB-CG2 3.86Å; F29-V44 HydrophobicContact CD2-CG2 3.98Å; F29-V44 HydrophobicContact CG-CG2 4.07Å
30	S	59.5	Low	60.2	Low	51 Å²	51	73.2 Å²	73.2	36%	0.357	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-25.5	170	61.2	0	0	0	0	113	P26 G27 I28	P26-S30 WeakPolarHBondContact O-CB 3.49Å; P26-S30 PolarHBondContact O-N 2.85Å; P26-S30 PolarHBondContact O-OG 2.94Å; G27-S30 PolarHBondContact O-OG 3.27Å; I28-S30 PolarHBondContact O-N 3.49Å
31	L	58	Low	60.5	Low	150 Å²	150	69.8 Å²	69.8	79%	0.785	39%	0.391	S	S	*	.	H	α-helix	trans	-82.6	-29.2	175.8	-106.5	140.2	0	0	0	113.2	I28 F29	I28-L31 PolarHBondContact O-N 2.89Å; F29-L31 VanDerWaalsContact C-N 3.31Å
32	L	57.9	Low	60.6	Low	125 Å²	125	73.7 Å²	73.7	65%	0.654	40%	0.404	S	S	*	.	H	α-helix	trans	-92.4	-24.3	-171.1	-109.6	121.3	0	0	0	115.4	I28	I28-L32 HydrophobicContact CG2-CD1 4.41Å
33	V	57.3	Low	60.8	Low	39 Å²	39	73 Å²	73	24%	0.236	41%	0.407	C	S	.	.			trans	-135.8	84	-174.1	-174.4	0	0	0	0	111	F29 E35 L39 R40	F29-V33 PolarHBondContact O-N 3.12Å; V33-E35 PolarHBondContact O-N 3.31Å; V33-L39 HydrophobicContact CG1-CD2 4.13Å; V33-R40 HydrophobicContact CB-CG 4.25Å; V33-R40 HydrophobicContact CG1-CG 4.39Å; V33-R40 PolarHBondContact O-NE 3.14Å; V33-R40 PolarHBondContact O-NH2 2.96Å; V33-R40 VanDerWaalsContact O-NH2 3.07Å
34	P	54.6	Low	61.2	Low	93 Å²	93	70.3 Å²	70.3	60%	0.604	39%	0.39	S	S	*	.			trans	-69.6	-31.3	-168.6	-21	33	0	0	0	115.4	R40	P34-R40 PolarHBondContact O-NH2 3.36Å
35	E	52.4	Low	61.5	Low	182 Å²	182	66.8 Å²	66.8	85%	0.85	37%	0.37	S	S	*	.	S	Bend	trans	-106.7	-9.8	-156.4	-60.2	-165	156.5	0	0	117	V33	V33-E35 PolarHBondContact O-N 3.31Å
36	V	63.3	Low	61.7	Low	70 Å²	70	70 Å²	70	42%	0.424	39%	0.387	S	S	.	.			trans	-131	105.1	-176.7	-167.4	0	0	0	0	113.2	L38 L39 R40	V36-L38 VanDerWaalsContact C-N 3.35Å; V36-L38 PolarHBondContact O-N 3.31Å; V36-L39 HydrophobicContact CB-CB 3.99Å; V36-L39 HydrophobicContact CG1-CB 4Å; V36-L39 PolarHBondContact O-N 3.22Å; V36-R40 PolarHBondContact O-N 3.37Å
37	P	60	Low	62.1	Low	55 Å²	55	69 Å²	69	36%	0.357	38%	0.381	S	S	.	.	H	α-helix	trans	-68.3	-27.7	-173.2	23.7	-32.4	0	0	0	114.2	V41	P37-V41 WeakPolarHBondContact O-CG2 3.36Å; P37-V41 PolarHBondContact O-N 3.32Å
38	L	60.5	Low	62.6	Low	52 Å²	52	68.2 Å²	68.2	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-73.2	-39.8	178.9	-129.5	173.8	0	0	0	111.6	V36 R40 V41 W42 S89 K92	V36-L38 VanDerWaalsContact C-N 3.35Å; V36-L38 PolarHBondContact O-N 3.31Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3Å; L38-V41 PolarHBondContact O-N 3.29Å; L38-W42 PolarHBondContact O-N 3.03Å; L38-S89 WeakPolarHBondContact CD2-OG 3.25Å; L38-K92 HydrophobicContact CD1-CB 4.43Å; L38-K92 HydrophobicContact CD1-CD 3.52Å; L38-K92 HydrophobicContact CD1-CG 4.49Å; L38-K92 HydrophobicContact CG-CD 3.93Å
39	L	61.9	Low	63.1	Low	105 Å²	105	69.6 Å²	69.6	55%	0.55	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-36.8	178.4	-152.6	98.1	0	0	0	110.7	V33 V36 W42 A43	V33-L39 HydrophobicContact CG1-CD2 4.13Å; V36-L39 HydrophobicContact CB-CB 3.99Å; V36-L39 HydrophobicContact CG1-CB 4Å; V36-L39 PolarHBondContact O-N 3.22Å; L39-W42 PolarHBondContact O-N 3.01Å; L39-A43 WeakPolarHBondContact O-CB 3.23Å; L39-A43 PolarHBondContact O-N 2.8Å
40	R	65.3	Low	63.5	Low	50 Å²	50	69.1 Å²	69.1	19%	0.189	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-44.6	174	-68.5	-174	-166.1	-169.2	-1	112.4	V33 P34 V36 L38 W42 A43 V44	V33-R40 HydrophobicContact CB-CG 4.25Å; V33-R40 HydrophobicContact CG1-CG 4.39Å; V33-R40 PolarHBondContact O-NE 3.14Å; V33-R40 PolarHBondContact O-NH2 2.96Å; V33-R40 VanDerWaalsContact O-NH2 3.07Å; P34-R40 PolarHBondContact O-NH2 3.36Å; V36-R40 PolarHBondContact O-N 3.37Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3Å; R40-W42 VanDerWaalsContact C-N 3.35Å; R40-W42 PolarHBondContact O-N 2.81Å; R40-A43 PolarHBondContact O-N 2.82Å; R40-V44 WeakPolarHBondContact O-CB 3.39Å; R40-V44 VanDerWaalsContact O-CG2 3.27Å; R40-V44 WeakPolarHBondContact O-CG2 3.31Å; R40-V44 PolarHBondContact O-N 3.41Å
41	V	65.5	Low	64.1	Low	37 Å²	37	70.5 Å²	70.5	22%	0.224	37%	0.373	C	S	.	.	H	α-helix	trans	-66.8	-38.8	-179.2	-177.5	0	0	0	0	111.1	P37 L38 G45 P85 A88	P37-V41 WeakPolarHBondContact O-CG2 3.36Å; P37-V41 PolarHBondContact O-N 3.32Å; L38-V41 PolarHBondContact O-N 3.29Å; V41-G45 PolarHBondContact O-N 2.95Å; V41-P85 HydrophobicContact CG1-CB 4.21Å; V41-P85 HydrophobicContact CG1-CG 4.45Å; V41-A88 HydrophobicContact CG1-CB 3.83Å
42	W	66.4	Low	64.6	Low	100 Å²	100	63.8 Å²	63.8	38%	0.379	34%	0.337	S	S	.	.	H	α-helix	trans	-67	-42.5	173.1	-84.7	96.1	0	0	0	113	L38 L39 R40 V44 G45 L46 L82 P85 S89	L38-W42 PolarHBondContact O-N 3.03Å; L39-W42 PolarHBondContact O-N 3.01Å; R40-W42 VanDerWaalsContact C-N 3.35Å; R40-W42 PolarHBondContact O-N 2.81Å; W42-V44 VanDerWaalsContact C-N 3.35Å; W42-V44 PolarHBondContact O-N 3.19Å; W42-G45 PolarHBondContact O-N 2.83Å; W42-L46 HydrophobicContact CE3-CD1 4.23Å; W42-L46 HydrophobicContact CE3-CG 4.37Å; W42-L46 VanDerWaalsContact O-CB 3.3Å; W42-L46 WeakPolarHBondContact O-CB 3.39Å; W42-L46 WeakPolarHBondContact O-CG 3.24Å; W42-L46 PolarHBondContact O-N 3.32Å; W42-L82 HydrophobicContact CZ3-CD2 4.25Å; W42-P85 HydrophobicContact CD2-CB 3.82Å; W42-P85 HydrophobicContact CE3-CB 4.09Å; W42-P85 HydrophobicContact CG-CB 4.15Å; W42-P85 HydrophobicContact CZ2-CB 4.38Å; W42-P85 HydrophobicContact CZ3-CB 4.49Å; W42-S89 PolarHBondContact NE1-OG 2.81Å
43	A	65.2	Low	65	Low	28 Å²	28	58.8 Å²	58.8	23%	0.231	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-41.7	177	0	0	0	0	0	111.9	F29 L39 R40 S47	F29-A43 HydrophobicContact CD1-CB 4.07Å; F29-A43 HydrophobicContact CE1-CB 4.04Å; L39-A43 WeakPolarHBondContact O-CB 3.23Å; L39-A43 PolarHBondContact O-N 2.8Å; R40-A43 PolarHBondContact O-N 2.82Å; A43-S47 VanDerWaalsContact O-CB 3.28Å; A43-S47 WeakPolarHBondContact O-CB 3.44Å; A43-S47 PolarHBondContact O-N 3.34Å; A43-S47 PolarHBondContact O-OG 3.03Å
44	V	69.1	Low	65.5	Low	27 Å²	27	62.5 Å²	62.5	16%	0.164	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-40.6	174.9	172.7	0	0	0	0	111.5	L25 F29 R40 W42 S47 R48	L25-V44 HydrophobicContact CB-CG1 4.23Å; F29-V44 HydrophobicContact CB-CG2 3.86Å; F29-V44 HydrophobicContact CD2-CG2 3.98Å; F29-V44 HydrophobicContact CG-CG2 4.07Å; R40-V44 WeakPolarHBondContact O-CB 3.39Å; R40-V44 VanDerWaalsContact O-CG2 3.27Å; R40-V44 WeakPolarHBondContact O-CG2 3.31Å; R40-V44 PolarHBondContact O-N 3.41Å; W42-V44 VanDerWaalsContact C-N 3.35Å; W42-V44 PolarHBondContact O-N 3.19Å; V44-S47 WeakPolarHBondContact CA-OG 3.23Å; V44-S47 PolarHBondContact O-OG 2.85Å; V44-R48 WeakPolarHBondContact O-CB 3.43Å; V44-R48 PolarHBondContact O-N 3.25Å
45	G	67.8	Low	66	Low	5 Å²	5	59.9 Å²	59.9	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-68.8	-42.3	177.5	0	0	0	0	0	114.1	V41 W42 R48 W49 G81	V41-G45 PolarHBondContact O-N 2.95Å; W42-G45 PolarHBondContact O-N 2.83Å; G45-R48 PolarHBondContact O-N 3.3Å; G45-W49 WeakPolarHBondContact O-CB 3.28Å; G45-W49 PolarHBondContact O-N 3.12Å; G45-G81 CarbonylContact C-O 3.57Å; G45-G81 WeakPolarHBondContact CA-O 3.18Å
46	L	68.5	Low	66.5	Low	83 Å²	83	51.6 Å²	51.6	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-68.7	-39.9	177.8	-77	164.6	0	0	0	112	W42 W49 A50 L82	W42-L46 HydrophobicContact CE3-CD1 4.23Å; W42-L46 HydrophobicContact CE3-CG 4.37Å; W42-L46 VanDerWaalsContact O-CB 3.3Å; W42-L46 WeakPolarHBondContact O-CB 3.39Å; W42-L46 WeakPolarHBondContact O-CG 3.24Å; W42-L46 PolarHBondContact O-N 3.32Å; L46-W49 PolarHBondContact O-N 3.07Å; L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 3.37Å; L46-L82 HydrophobicContact CD2-CD2 4.32Å
47	S	69.1	Low	66.4	Low	23 Å²	23	56.3 Å²	56.3	16%	0.161	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-40.5	173.8	54	0	0	0	0	111.7	A43 V44 A50 I51	A43-S47 VanDerWaalsContact O-CB 3.28Å; A43-S47 WeakPolarHBondContact O-CB 3.44Å; A43-S47 PolarHBondContact O-N 3.34Å; A43-S47 PolarHBondContact O-OG 3.03Å; V44-S47 WeakPolarHBondContact CA-OG 3.23Å; V44-S47 PolarHBondContact O-OG 2.85Å; S47-A50 PolarHBondContact O-N 3.44Å; S47-I51 WeakPolarHBondContact O-CB 3.38Å; S47-I51 WeakPolarHBondContact O-CD1 3.11Å; S47-I51 WeakPolarHBondContact O-CG1 3.38Å; S47-I51 PolarHBondContact O-N 3.34Å
48	R	70.6	Confident	66.2	Low	22 Å²	22	55.8 Å²	55.8	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-43.2	174.4	-167.3	178.4	-171.3	-176.3	6.1	112.3	D17 L25 V44 G45 L52	D17-R48 IonicContact OD1-CZ 3.81Å; D17-R48 IonicContact OD1-NE 3.52Å; D17-R48 PolarHBondContact OD1-NE 3.38Å; D17-R48 IonicContact OD1-NH2 2.79Å; D17-R48 PolarHBondContact OD1-NH2 3.43Å; D17-R48 IonicContact OD2-CZ 3.31Å; D17-R48 IonicContact OD2-NE 3.52Å; D17-R48 IonicContact OD2-NH2 2.62Å; D17-R48 PolarHBondContact OD2-NH2 2.99Å; L25-R48 HydrophobicContact CD1-CB 4.27Å; V44-R48 WeakPolarHBondContact O-CB 3.43Å; V44-R48 PolarHBondContact O-N 3.25Å; G45-R48 PolarHBondContact O-N 3.3Å; R48-L52 HydrophobicContact CG-CD1 4.13Å; R48-L52 WeakPolarHBondContact O-CB 3.44Å; R48-L52 WeakPolarHBondContact O-CG 3.44Å; R48-L52 PolarHBondContact O-N 3.46Å
49	W	72.5	Confident	66	Low	115 Å²	115	57.4 Å²	57.4	44%	0.436	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-44.5	172.8	177.7	73.3	0	0	0	112.1	G45 L46 G53	G45-W49 WeakPolarHBondContact O-CB 3.28Å; G45-W49 PolarHBondContact O-N 3.12Å; L46-W49 PolarHBondContact O-N 3.07Å; W49-G53 PolarHBondContact O-N 2.83Å
50	A	68	Low	65.6	Low	40 Å²	40	54.8 Å²	54.8	33%	0.331	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-43.3	179.6	0	0	0	0	0	112.4	L46 S47 G53 L54	L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 3.37Å; S47-A50 PolarHBondContact O-N 3.44Å; A50-G53 PolarHBondContact O-N 2.97Å; A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 WeakPolarHBondContact O-CG 3.27Å; A50-L54 PolarHBondContact O-N 2.9Å
51	I	71.9	Confident	64.8	Low	80 Å²	80	55.6 Å²	55.6	41%	0.41	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-44.5	-179	-64.1	161.3	0	0	0	111.1	L21 L25 S47 G53 L54 G55	L21-I51 HydrophobicContact CD1-CG2 4.32Å; L21-I51 HydrophobicContact CD2-CB 4.06Å; L21-I51 HydrophobicContact CD2-CD1 3.66Å; L21-I51 HydrophobicContact CD2-CG1 4.47Å; L21-I51 HydrophobicContact CD2-CG2 3.83Å; L25-I51 HydrophobicContact CD1-CD1 4.34Å; L25-I51 HydrophobicContact CD2-CD1 4.37Å; S47-I51 WeakPolarHBondContact O-CB 3.38Å; S47-I51 WeakPolarHBondContact O-CD1 3.11Å; S47-I51 WeakPolarHBondContact O-CG1 3.38Å; S47-I51 PolarHBondContact O-N 3.34Å; I51-G53 VanDerWaalsContact C-N 3.33Å; I51-L54 PolarHBondContact O-N 2.83Å; I51-G55 PolarHBondContact O-N 3.26Å
52	L	69.1	Low	64	Low	8 Å²	8	59.8 Å²	59.8	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-36.9	175.2	-69.6	171.3	0	0	0	111.5	L13 D17 L21 R48 G55 V56 V77	L13-L52 HydrophobicContact CD2-CD2 3.92Å; D17-L52 HydrophobicContact CB-CD2 4.35Å; L21-L52 HydrophobicContact CD1-CD2 3.74Å; L21-L52 HydrophobicContact CD1-CG 3.99Å; R48-L52 HydrophobicContact CG-CD1 4.13Å; R48-L52 WeakPolarHBondContact O-CB 3.44Å; R48-L52 WeakPolarHBondContact O-CG 3.44Å; R48-L52 PolarHBondContact O-N 3.46Å; L52-G55 PolarHBondContact O-N 3.02Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 3.11Å; L52-V77 HydrophobicContact CB-CG1 3.58Å; L52-V77 HydrophobicContact CB-CG2 4.27Å
53	G	65	Low	63	Low	21 Å²	21	58.1 Å²	58.1	22%	0.216	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-40.5	175.9	0	0	0	0	0	113.2	W49 A50 I51 R57	W49-G53 PolarHBondContact O-N 2.83Å; A50-G53 PolarHBondContact O-N 2.97Å; I51-G53 VanDerWaalsContact C-N 3.33Å; G53-R57 WeakPolarHBondContact O-CB 3.39Å; G53-R57 WeakPolarHBondContact O-CG 3.27Å; G53-R57 PolarHBondContact O-N 3.46Å
54	L	68.3	Low	61.9	Low	116 Å²	116	61.9 Å²	61.9	61%	0.607	38%	0.38	S	S	*	.	H	α-helix	trans	-68.6	-38.5	174	-79.3	162.8	0	0	0	111.8	A50 I51 R57 G58	A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 WeakPolarHBondContact O-CG 3.27Å; A50-L54 PolarHBondContact O-N 2.9Å; I51-L54 PolarHBondContact O-N 2.83Å; L54-R57 PolarHBondContact O-N 3.08Å; L54-G58 PolarHBondContact O-N 2.83Å
55	G	65.2	Low	60.8	Low	39 Å²	39	64.6 Å²	64.6	40%	0.402	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-45.2	173.9	0	0	0	0	0	112.7	I51 L52 R57 G58 V59	I51-G55 PolarHBondContact O-N 3.26Å; L52-G55 PolarHBondContact O-N 3.02Å; G55-R57 PolarHBondContact O-N 3.22Å; G55-G58 PolarHBondContact O-N 3.26Å; G55-V59 WeakPolarHBondContact O-CG2 3.35Å; G55-V59 PolarHBondContact O-N 3.07Å; G55-V59 VanDerWaalsContact O-N 3.08Å
56	V	63.3	Low	59.6	Low	7 Å²	7	65.1 Å²	65.1	4%	0.042	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-39.2	175.3	172.4	0	0	0	0	111.5	L13 L52 L60 V77	L13-V56 HydrophobicContact CD1-CG2 3.89Å; L13-V56 HydrophobicContact CD2-CG2 4.07Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 3.11Å; V56-L60 HydrophobicContact CG1-CD1 3.96Å; V56-L60 WeakPolarHBondContact O-CB 3.37Å; V56-L60 WeakPolarHBondContact O-CD1 3.17Å; V56-L60 VanDerWaalsContact O-CG 3.32Å; V56-L60 WeakPolarHBondContact O-CG 3.42Å; V56-L60 PolarHBondContact O-N 3.21Å; V56-V77 HydrophobicContact CG2-CG2 3.9Å
57	R	60.7	Low	58.7	Low	170 Å²	170	71.3 Å²	71.3	64%	0.642	44%	0.435	S	S	*	.	H	α-helix	trans	-69.4	-34.9	175.7	-77.8	-178.4	179	168.3	1.1	113.5	G53 L54 G55 L60 G61	G53-R57 WeakPolarHBondContact O-CB 3.39Å; G53-R57 WeakPolarHBondContact O-CG 3.27Å; G53-R57 PolarHBondContact O-N 3.46Å; L54-R57 PolarHBondContact O-N 3.08Å; G55-R57 PolarHBondContact O-N 3.22Å; R57-L60 WeakPolarHBondContact O-CB 3.46Å; R57-L60 PolarHBondContact O-N 3.31Å; R57-G61 PolarHBondContact O-N 3.29Å; R57-G61 VanDerWaalsContact O-N 3.07Å
58	G	57.3	Low	57.8	Low	44 Å²	44	73.6 Å²	73.6	45%	0.454	46%	0.462	S	S	.	.	H	α-helix	trans	-65.5	-42.9	174.4	0	0	0	0	0	112.1	L54 G55 L60 G61	L54-G58 PolarHBondContact O-N 2.83Å; G55-G58 PolarHBondContact O-N 3.26Å; G58-L60 VanDerWaalsContact C-N 3.35Å; G58-G61 PolarHBondContact O-N 3.17Å
59	V	56.2	Low	57.1	Low	85 Å²	85	76 Å²	76	52%	0.515	47%	0.472	S	S	.	.	H	α-helix	trans	-67.6	-35	174.6	176	0	0	0	0	111.9	G55 G61 V62 T63 L70	G55-V59 WeakPolarHBondContact O-CG2 3.35Å; G55-V59 PolarHBondContact O-N 3.07Å; G55-V59 VanDerWaalsContact O-N 3.08Å; V59-G61 VanDerWaalsContact C-N 3.28Å; V59-G61 PolarHBondContact O-N 2.9Å; V59-V62 PolarHBondContact O-N 3.11Å; V59-T63 PolarHBondContact O-OG1 3.26Å; V59-T63 VanDerWaalsContact O-OG1 3.13Å; V59-L70 HydrophobicContact CG1-CD2 4.03Å
60	L	52.2	Low	56	Low	51 Å²	51	71.1 Å²	71.1	27%	0.267	45%	0.454	S	S	.	.	H	α-helix	trans	-62.8	-30.7	171.6	-85.8	159.2	0	0	0	113.1	V56 R57 G58 L70	V56-L60 HydrophobicContact CG1-CD1 3.96Å; V56-L60 WeakPolarHBondContact O-CB 3.37Å; V56-L60 WeakPolarHBondContact O-CD1 3.17Å; V56-L60 VanDerWaalsContact O-CG 3.32Å; V56-L60 WeakPolarHBondContact O-CG 3.42Å; V56-L60 PolarHBondContact O-N 3.21Å; R57-L60 WeakPolarHBondContact O-CB 3.46Å; R57-L60 PolarHBondContact O-N 3.31Å; G58-L60 VanDerWaalsContact C-N 3.35Å; L60-L70 HydrophobicContact CD2-CB 3.7Å; L60-L70 HydrophobicContact CD2-CD2 4.25Å; L60-L70 HydrophobicContact CD2-CG 4.46Å; L60-L70 HydrophobicContact CG-CB 4.15Å; L60-L70 HydrophobicContact CG-CD2 3.92Å
61	G	48	Very low	55.3	Low	67 Å²	67	71.6 Å²	71.6	69%	0.691	46%	0.458	S	S	*	.	H	α-helix	trans	-73.7	-26.1	178.2	0	0	0	0	0	114.1	R57 G58 V59	R57-G61 PolarHBondContact O-N 3.29Å; R57-G61 VanDerWaalsContact O-N 3.07Å; G58-G61 PolarHBondContact O-N 3.17Å; V59-G61 VanDerWaalsContact C-N 3.28Å; V59-G61 PolarHBondContact O-N 2.9Å
62	V	49.9	Very low	54.4	Low	125 Å²	125	69.1 Å²	69.1	76%	0.758	45%	0.449	S	S	*	.	H	α-helix	trans	-90.9	-18	-175.6	179.4	0	0	0	0	112.6	V59	V59-V62 PolarHBondContact O-N 3.11Å
63	T	46.1	Very low	53.8	Low	64 Å²	64	68.9 Å²	68.9	39%	0.393	45%	0.448	S	S	.	.			trans	-123.8	84.2	-175.9	54.5	0	0	0	0	112.3	V59 G65 A66	V59-T63 PolarHBondContact O-OG1 3.26Å; V59-T63 VanDerWaalsContact O-OG1 3.13Å; T63-G65 PolarHBondContact O-N 3.34Å; T63-A66 PolarHBondContact O-N 2.93Å
64	A	41.2	Very low	53.6	Low	107 Å²	107	72.5 Å²	72.5	88%	0.884	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-4.9	-175	0	0	0	0	0	116
65	G	45.1	Very low	53	Low	84 Å²	84	69 Å²	69	87%	0.866	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-1.3	-177.1	0	0	0	0	0	116.8	T63	T63-G65 PolarHBondContact O-N 3.34Å
66	A	43.7	Very low	52.8	Low	16 Å²	16	68.5 Å²	68.5	13%	0.132	43%	0.431	C	S	.	.			trans	-116.6	30	-163.7	0	0	0	0	0	115.4	T63 G68 W69 L70	T63-A66 PolarHBondContact O-N 2.93Å; A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 2.84Å; A66-W69 HydrophobicContact CB-CZ2 4.43Å; A66-L70 HydrophobicContact CB-CD1 3.65Å; A66-L70 WeakPolarHBondContact O-CD1 3.39Å
67	R	50.3	Low	52.7	Low	213 Å²	213	68.5 Å²	68.5	80%	0.804	43%	0.431	S	S	*	.	H	α-helix	trans	-62.1	-31.5	-172.8	-82.1	-177.7	176.6	177.3	-0.3	115.3
68	G	49.6	Very low	52.8	Low	71 Å²	71	62 Å²	62	73%	0.732	41%	0.414	S	S	*	.	H	α-helix	trans	-72.7	-41.7	-169.9	0	0	0	0	0	115.5	A66	A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 2.84Å
69	W	54.5	Low	52.9	Low	74 Å²	74	61.5 Å²	61.5	28%	0.28	41%	0.405	S	S	.	.	H	α-helix	trans	-96.1	-26.2	-175.1	63.7	-70.8	0	0	0	113.1	A5 W6 A9 A66 A71 A72	A5-W69 HydrophobicContact CB-CH2 3.31Å; A5-W69 HydrophobicContact CB-CZ2 3.8Å; A5-W69 HydrophobicContact CB-CZ3 3.98Å; A5-W69 VanDerWaalsContact O-CZ3 3.29Å; A5-W69 WeakPolarHBondContact O-CZ3 3.36Å; W6-W69 VanDerWaalsContact CA-CZ3 3.44Å; W6-W69 HydrophobicContact CB-CE3 3.81Å; W6-W69 HydrophobicContact CB-CZ3 4.07Å; W6-W69 HydrophobicContact CG-CE3 4.29Å; A9-W69 HydrophobicContact CB-CZ3 4.32Å; A66-W69 HydrophobicContact CB-CZ2 4.43Å; W69-A71 VanDerWaalsContact C-N 3.32Å; W69-A71 PolarHBondContact O-N 2.69Å; W69-A72 VanDerWaalsContact O-CB 3.29Å; W69-A72 WeakPolarHBondContact O-CB 3.48Å; W69-A72 PolarHBondContact O-N 3.43Å; W69-A72 VanDerWaalsContact O-N 3.14Å
70	L	50.5	Low	53.1	Low	11 Å²	11	58.2 Å²	58.2	6%	0.058	39%	0.385	C	S	.	.	H	α-helix	trans	-69.6	-26.7	172.1	-89.4	110.3	0	0	0	113.2	V59 L60 A66 A72 L73	V59-L70 HydrophobicContact CG1-CD2 4.03Å; L60-L70 HydrophobicContact CD2-CB 3.7Å; L60-L70 HydrophobicContact CD2-CD2 4.25Å; L60-L70 HydrophobicContact CD2-CG 4.46Å; L60-L70 HydrophobicContact CG-CB 4.15Å; L60-L70 HydrophobicContact CG-CD2 3.92Å; A66-L70 HydrophobicContact CB-CD1 3.65Å; A66-L70 WeakPolarHBondContact O-CD1 3.39Å; L70-A72 PolarHBondContact O-N 2.96Å; L70-L73 HydrophobicContact CG-CD1 4.43Å; L70-L73 PolarHBondContact O-N 3.03Å
71	A	53.4	Low	53.5	Low	50 Å²	50	55.8 Å²	55.8	41%	0.413	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-63.5	-27.1	169.8	0	0	0	0	0	112.4	W69 L73 Q74	W69-A71 VanDerWaalsContact C-N 3.32Å; W69-A71 PolarHBondContact O-N 2.69Å; A71-L73 PolarHBondContact O-N 3.17Å; A71-Q74 PolarHBondContact O-N 3.14Å
72	A	52.7	Low	54.1	Low	28 Å²	28	55.7 Å²	55.7	23%	0.231	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-72.6	-13	176.5	0	0	0	0	0	113.6	W69 L70 P75	W69-A72 VanDerWaalsContact O-CB 3.29Å; W69-A72 WeakPolarHBondContact O-CB 3.48Å; W69-A72 PolarHBondContact O-N 3.43Å; W69-A72 VanDerWaalsContact O-N 3.14Å; L70-A72 PolarHBondContact O-N 2.96Å; A72-P75 WeakPolarHBondContact O-CD 3.4Å; A72-P75 WeakPolarHBondContact O-CG 3.45Å
73	L	56.3	Low	54.6	Low	3 Å²	3	51.4 Å²	51.4	2%	0.016	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-86.1	-19.9	177.7	-73.3	163.9	0	0	0	113.3	A10 L13 L70 A71 L76 V77	A10-L73 HydrophobicContact CB-CD2 4.19Å; L13-L73 HydrophobicContact CD1-CD1 4.39Å; L13-L73 HydrophobicContact CD1-CD2 4.42Å; L70-L73 HydrophobicContact CG-CD1 4.43Å; L70-L73 PolarHBondContact O-N 3.03Å; A71-L73 PolarHBondContact O-N 3.17Å; L73-L76 WeakPolarHBondContact O-CB 3.27Å; L73-L76 PolarHBondContact O-N 3.34Å; L73-V77 WeakPolarHBondContact O-CG2 3.42Å; L73-V77 PolarHBondContact O-N 2.73Å
74	Q	60.3	Low	55.2	Low	97 Å²	97	50.3 Å²	50.3	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-44.6	177.2	-71.9	-175.2	-32.8	0	0	114.9	A71 L76 V77 A78	A71-Q74 PolarHBondContact O-N 3.14Å; Q74-L76 VanDerWaalsContact C-N 3.29Å; Q74-L76 PolarHBondContact O-N 3.27Å; Q74-V77 PolarHBondContact O-N 3.16Å; Q74-A78 PolarHBondContact O-N 3.23Å
75	P	57.4	Low	56	Low	42 Å²	42	45.2 Å²	45.2	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-67.9	-28.8	176.2	23.6	-32.7	0	0	0	112.8	A72 A78 A79	A72-P75 WeakPolarHBondContact O-CD 3.4Å; A72-P75 WeakPolarHBondContact O-CG 3.45Å; P75-A78 PolarHBondContact O-N 2.76Å; P75-A79 WeakPolarHBondContact O-CB 3.29Å; P75-A79 PolarHBondContact O-N 3.38Å
76	L	60	Low	56.6	Low	29 Å²	29	42.8 Å²	42.8	15%	0.152	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-39.9	175.3	-164.7	147	0	0	0	110.8	L73 Q74 A79 L80	L73-L76 WeakPolarHBondContact O-CB 3.27Å; L73-L76 PolarHBondContact O-N 3.34Å; Q74-L76 VanDerWaalsContact C-N 3.29Å; Q74-L76 PolarHBondContact O-N 3.27Å; L76-A79 PolarHBondContact O-N 2.85Å; L76-L80 HydrophobicContact CD2-CD1 3.55Å; L76-L80 HydrophobicContact CD2-CG 4.29Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 2.89Å
77	V	62.3	Low	57.3	Low	7 Å²	7	46.2 Å²	46.2	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-40.7	171.8	171.7	0	0	0	0	112.2	L52 V56 L73 Q74 L80 G81	L52-V77 HydrophobicContact CB-CG1 3.58Å; L52-V77 HydrophobicContact CB-CG2 4.27Å; V56-V77 HydrophobicContact CG2-CG2 3.9Å; L73-V77 WeakPolarHBondContact O-CG2 3.42Å; L73-V77 PolarHBondContact O-N 2.73Å; Q74-V77 PolarHBondContact O-N 3.16Å; V77-L80 PolarHBondContact O-N 3.47Å; V77-G81 PolarHBondContact O-N 3Å
78	A	61.6	Low	57.5	Low	33 Å²	33	36.8 Å²	36.8	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-43.5	175.2	0	0	0	0	0	112.1	Q74 P75 G81 L82	Q74-A78 PolarHBondContact O-N 3.23Å; P75-A78 PolarHBondContact O-N 2.76Å; A78-G81 PolarHBondContact O-N 2.95Å; A78-L82 WeakPolarHBondContact O-CB 3.4Å; A78-L82 PolarHBondContact O-N 3.4Å
79	A	60	Low	57.9	Low	34 Å²	34	34.3 Å²	34.3	28%	0.281	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-43.5	176.4	0	0	0	0	0	112	P75 L76 A83 A124	P75-A79 WeakPolarHBondContact O-CB 3.29Å; P75-A79 PolarHBondContact O-N 3.38Å; L76-A79 PolarHBondContact O-N 2.85Å; A79-A83 WeakPolarHBondContact O-CB 3.5Å; A79-A83 PolarHBondContact O-N 2.78Å; A79-A124 HydrophobicContact CB-CB 4.04Å
80	L	61.1	Low	57.6	Low	16 Å²	16	36.4 Å²	36.4	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-34.5	179.2	-70.5	175.6	0	0	0	113.7	L14 L76 V77 Y121	L14-L80 HydrophobicContact CD2-CD1 3.81Å; L76-L80 HydrophobicContact CD2-CD1 3.55Å; L76-L80 HydrophobicContact CD2-CG 4.29Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 2.89Å; V77-L80 PolarHBondContact O-N 3.47Å; L80-Y121 HydrophobicContact CD2-CD1 4.39Å; L80-Y121 HydrophobicContact CD2-CE1 3.6Å; L80-Y121 HydrophobicContact CD2-CE2 3.98Å; L80-Y121 VanDerWaalsContact CD2-OH 3.3Å; L80-Y121 WeakPolarHBondContact CD2-OH 3.31Å
81	G	59.3	Low	57.6	Low	1 Å²	1	42.7 Å²	42.7	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-79	-36.7	-179.6	0	0	0	0	0	114.4	G45 V77 A78 P85	G45-G81 CarbonylContact C-O 3.57Å; G45-G81 WeakPolarHBondContact CA-O 3.18Å; V77-G81 PolarHBondContact O-N 3Å; A78-G81 PolarHBondContact O-N 2.95Å; G81-P85 WeakPolarHBondContact O-CD 3.48Å
82	L	60.8	Low	57.4	Low	64 Å²	64	44.7 Å²	44.7	34%	0.335	25%	0.246	S	C	.	.	H	α-helix	trans	-108.1	-13.5	-167.2	-63.5	165.6	0	0	0	114.5	W42 L46 A78 P85 G86	W42-L82 HydrophobicContact CZ3-CD2 4.25Å; L46-L82 HydrophobicContact CD2-CD2 4.32Å; A78-L82 WeakPolarHBondContact O-CB 3.4Å; A78-L82 PolarHBondContact O-N 3.4Å; L82-P85 WeakPolarHBondContact O-CD 3.38Å; L82-G86 PolarHBondContact O-N 2.79Å; L82-G86 VanDerWaalsContact O-N 3.1Å
83	A	61.3	Low	57.2	Low	35 Å²	35	49.3 Å²	49.3	29%	0.289	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-39.3	178.2	0	0	0	0	0	113.2	A79 L87	A79-A83 WeakPolarHBondContact O-CB 3.5Å; A79-A83 PolarHBondContact O-N 2.78Å; A83-L87 WeakPolarHBondContact O-CB 3.21Å; A83-L87 WeakPolarHBondContact O-CD1 3.46Å; A83-L87 WeakPolarHBondContact O-CG 3.28Å; A83-L87 PolarHBondContact O-N 2.9Å
84	L	57.5	Low	56.5	Low	41 Å²	41	53.4 Å²	53.4	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-48.8	-178.9	-125.6	104.9	0	0	0	112.9	L87 A88	L84-L87 PolarHBondContact O-N 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.36Å; L84-A88 PolarHBondContact O-N 2.86Å
85	P	59.4	Low	55.8	Low	1 Å²	1	51.2 Å²	51.2	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-37.5	174.3	-17.1	28	0	0	0	113.1	V41 W42 G81 L82 A88 S89	V41-P85 HydrophobicContact CG1-CB 4.21Å; V41-P85 HydrophobicContact CG1-CG 4.45Å; W42-P85 HydrophobicContact CD2-CB 3.82Å; W42-P85 HydrophobicContact CE3-CB 4.09Å; W42-P85 HydrophobicContact CG-CB 4.15Å; W42-P85 HydrophobicContact CZ2-CB 4.38Å; W42-P85 HydrophobicContact CZ3-CB 4.49Å; G81-P85 WeakPolarHBondContact O-CD 3.48Å; L82-P85 WeakPolarHBondContact O-CD 3.38Å; P85-A88 PolarHBondContact O-N 3.42Å; P85-S89 VanDerWaalsContact O-CB 3.32Å; P85-S89 WeakPolarHBondContact O-CB 3.29Å; P85-S89 PolarHBondContact O-N 2.85Å; P85-S89 PolarHBondContact O-OG 3.07Å
86	G	56.9	Low	55	Low	33 Å²	33	60 Å²	60	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-59.1	-49.1	175.1	0	0	0	0	0	111.8	L82 S89 F90	L82-G86 PolarHBondContact O-N 2.79Å; L82-G86 VanDerWaalsContact O-N 3.1Å; G86-S89 PolarHBondContact O-N 2.9Å; G86-F90 VanDerWaalsContact O-CB 3.26Å; G86-F90 WeakPolarHBondContact O-CB 3.35Å; G86-F90 PolarHBondContact O-N 2.9Å
87	L	57.9	Low	54.3	Low	88 Å²	88	62.3 Å²	62.3	46%	0.461	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-39.6	178.2	-81.5	161.4	0	0	0	113.2	A83 L84 F90 R91	A83-L87 WeakPolarHBondContact O-CB 3.21Å; A83-L87 WeakPolarHBondContact O-CD1 3.46Å; A83-L87 WeakPolarHBondContact O-CG 3.28Å; A83-L87 PolarHBondContact O-N 2.9Å; L84-L87 PolarHBondContact O-N 3.29Å; L87-F90 PolarHBondContact O-N 3.44Å; L87-R91 WeakPolarHBondContact O-CB 3.38Å; L87-R91 PolarHBondContact O-N 3.26Å
88	A	56	Low	53.2	Low	15 Å²	15	66.1 Å²	66.1	12%	0.124	38%	0.384	C	S	.	.	H	α-helix	trans	-67.3	-38	177.4	0	0	0	0	0	112.5	V41 L84 P85 K92	V41-A88 HydrophobicContact CG1-CB 3.83Å; L84-A88 WeakPolarHBondContact O-CB 3.36Å; L84-A88 PolarHBondContact O-N 2.86Å; P85-A88 PolarHBondContact O-N 3.42Å; A88-K92 PolarHBondContact O-N 2.81Å
89	S	56.2	Low	51.9	Low	19 Å²	19	72.8 Å²	72.8	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-68.5	-41.7	175.5	-53.4	0	0	0	0	111.4	L38 W42 P85 G86 R91 K92 L93	L38-S89 WeakPolarHBondContact CD2-OG 3.25Å; W42-S89 PolarHBondContact NE1-OG 2.81Å; P85-S89 VanDerWaalsContact O-CB 3.32Å; P85-S89 WeakPolarHBondContact O-CB 3.29Å; P85-S89 PolarHBondContact O-N 2.85Å; P85-S89 PolarHBondContact O-OG 3.07Å; G86-S89 PolarHBondContact O-N 2.9Å; S89-R91 VanDerWaalsContact C-N 3.35Å; S89-R91 PolarHBondContact O-N 2.88Å; S89-K92 PolarHBondContact O-N 3.37Å; S89-L93 PolarHBondContact O-N 3.21Å; S89-L93 VanDerWaalsContact O-N 3.07Å
90	F	49.1	Very low	50.6	Low	117 Å²	117	82.3 Å²	82.3	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-64.2	-38.7	178	-161.1	-99	0	0	0	112	G86 L87 L93 S94	G86-F90 VanDerWaalsContact O-CB 3.26Å; G86-F90 WeakPolarHBondContact O-CB 3.35Å; G86-F90 PolarHBondContact O-N 2.9Å; L87-F90 PolarHBondContact O-N 3.44Å; F90-L93 PolarHBondContact O-N 2.84Å; F90-S94 PolarHBondContact O-N 2.92Å
91	R	49.8	Very low	49.5	Very low	144 Å²	144	91.1 Å²	91.1	54%	0.543	48%	0.484	S	S	.	.	H	α-helix	trans	-71.7	-33.4	177.7	-163.6	176.5	-178.8	-179	-1.6	113.4	L87 S89 L93 S94 A95	L87-R91 WeakPolarHBondContact O-CB 3.38Å; L87-R91 PolarHBondContact O-N 3.26Å; S89-R91 VanDerWaalsContact C-N 3.35Å; S89-R91 PolarHBondContact O-N 2.88Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-S94 WeakPolarHBondContact CA-OG 3.48Å; R91-S94 PolarHBondContact O-N 3.17Å; R91-S94 PolarHBondContact O-OG 2.93Å; R91-A95 WeakPolarHBondContact O-CB 3.47Å; R91-A95 PolarHBondContact O-N 3.41Å
92	K	49.8	Very low	48.7	Very low	92 Å²	92	94.5 Å²	94.5	40%	0.4	52%	0.519	S	S	.	.	H	α-helix	trans	-72	-30.7	175	-152.6	176.7	178.5	-173.5	0	111.8	L38 A88 S89	L38-K92 HydrophobicContact CD1-CB 4.43Å; L38-K92 HydrophobicContact CD1-CD 3.52Å; L38-K92 HydrophobicContact CD1-CG 4.49Å; L38-K92 HydrophobicContact CG-CD 3.93Å; A88-K92 PolarHBondContact O-N 2.81Å; S89-K92 PolarHBondContact O-N 3.37Å
93	L	48	Very low	47.8	Very low	125 Å²	125	97.8 Å²	97.8	65%	0.654	54%	0.536	S	S	*	.	H	α-helix	trans	-69.7	-38.9	167.7	-103.3	122.7	0	0	0	112.6	S89 F90 R91 A95 W96	S89-L93 PolarHBondContact O-N 3.21Å; S89-L93 VanDerWaalsContact O-N 3.07Å; F90-L93 PolarHBondContact O-N 2.84Å; R91-L93 VanDerWaalsContact C-N 3.32Å; L93-A95 VanDerWaalsContact C-N 3.31Å; L93-A95 PolarHBondContact O-N 3.49Å; L93-W96 PolarHBondContact O-N 3.08Å
94	S	42.7	Very low	46.9	Very low	88 Å²	88	102.6 Å²	102.6	62%	0.615	56%	0.558	S	S	*	*	H	α-helix	trans	-73.8	-19.8	177.6	75.2	0	0	0	0	113.8	F90 R91 W96	F90-S94 PolarHBondContact O-N 2.92Å; R91-S94 WeakPolarHBondContact CA-OG 3.48Å; R91-S94 PolarHBondContact O-N 3.17Å; R91-S94 PolarHBondContact O-OG 2.93Å; S94-W96 VanDerWaalsContact C-N 3.34Å
95	A	45.2	Very low	46.2	Very low	51 Å²	51	103.9 Å²	103.9	42%	0.421	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	1.8	178.2	0	0	0	0	0	113.8	R91 L93 G97 A98	R91-A95 WeakPolarHBondContact O-CB 3.47Å; R91-A95 PolarHBondContact O-N 3.41Å; L93-A95 VanDerWaalsContact C-N 3.31Å; L93-A95 PolarHBondContact O-N 3.49Å; A95-G97 PolarHBondContact O-N 3.2Å; A95-A98 PolarHBondContact O-N 3.1Å
96	W	40.4	Very low	45.7	Very low	228 Å²	228	105.6 Å²	105.6	86%	0.864	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	27.4	178.1	-153.5	-17.6	0	0	0	114	L93 S94	L93-W96 PolarHBondContact O-N 3.08Å; S94-W96 VanDerWaalsContact C-N 3.34Å
97	G	44.5	Very low	45.3	Very low	77 Å²	77	107.2 Å²	107.2	79%	0.794	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.6	-2	176	0	0	0	0	0	115.1	A95	A95-G97 PolarHBondContact O-N 3.2Å
98	A	39.9	Very low	44.6	Very low	86 Å²	86	108.3 Å²	108.3	71%	0.711	60%	0.598	S	S	*	*			trans	-146.6	93	178.5	0	0	0	0	0	110.8	A95	A95-A98 PolarHBondContact O-N 3.1Å
99	L	33.6	Very low	44.2	Very low	174 Å²	174	114 Å²	114	91%	0.911	62%	0.622	S	S	*	*			trans	-94	118.6	170.3	-78.4	166.3	0	0	0	109.7
100	R	33.4	Very low	43.9	Very low	234 Å²	234	116.9 Å²	116.9	88%	0.883	63%	0.63	S	S	*	*			trans	-120.7	121.6	152.3	-155.6	173.9	-172	175	2	106.8	G102	R100-G102 PolarHBondContact O-N 3.4Å; R100-G102 VanDerWaalsContact O-N 3.13Å
101	E	37.8	Very low	43.8	Very low	201 Å²	201	113.2 Å²	113.2	94%	0.939	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	110.1	179.5	-70.3	176.2	152.9	0	0	109.5
102	G	41.9	Very low	43.8	Very low	72 Å²	72	110.7 Å²	110.7	74%	0.742	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	164.1	-22.5	177.9	0	0	0	0	0	115.7	R100	R100-G102 PolarHBondContact O-N 3.4Å; R100-G102 VanDerWaalsContact O-N 3.13Å
103	D	42	Very low	44	Very low	132 Å²	132	113 Å²	113	71%	0.706	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-97.4	9	-163.2	-129.1	7.1	0	0	0	116.2	A105 G106	D103-A105 PolarHBondContact O-N 3.05Å; D103-G106 PolarHBondContact O-N 3.26Å; D103-G106 VanDerWaalsContact O-N 3.16Å
104	N	43.7	Very low	44.1	Very low	137 Å²	137	113.4 Å²	113.4	73%	0.733	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-67.3	-17.8	-179.1	-84.4	-19.2	0	0	0	113.9
105	A	42.8	Very low	44.4	Very low	68 Å²	68	114.6 Å²	114.6	56%	0.562	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-78.4	-20.2	174.8	0	0	0	0	0	113.4	D103	D103-A105 PolarHBondContact O-N 3.05Å
106	G	47.4	Very low	44.8	Very low	36 Å²	36	112.9 Å²	112.9	37%	0.371	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-26.4	-175.8	0	0	0	0	0	114.9	D103 W110	D103-G106 PolarHBondContact O-N 3.26Å; D103-G106 VanDerWaalsContact O-N 3.16Å; G106-W110 PolarHBondContact O-N 3.36Å
107	L	48.2	Very low	45.2	Very low	68 Å²	68	105.9 Å²	105.9	36%	0.356	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-30.6	177.5	-89.7	155.3	0	0	0	112.8
108	L	43.8	Very low	45.8	Very low	111 Å²	111	106.1 Å²	106.1	58%	0.581	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-30.6	179.7	-94.4	131.9	0	0	0	113
109	H	48.5	Very low	46.4	Very low	135 Å²	135	107.9 Å²	107.9	63%	0.625	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	4.9	176.7	-74.3	-58	0	0	0	114.3	N111 S112	H109-N111 PolarHBondContact O-N 3.34Å; H109-S112 PolarHBondContact O-N 3.06Å; H109-S112 PolarHBondContact O-OG 2.85Å
110	W	49.6	Very low	47.2	Very low	79 Å²	79	100.6 Å²	100.6	30%	0.299	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-61.7	-29.9	176.9	-172.5	-101.6	0	0	0	112.7	G106 S112 R113 A116	G106-W110 PolarHBondContact O-N 3.36Å; W110-S112 PolarHBondContact O-N 2.97Å; W110-R113 PolarHBondContact O-N 3.32Å; W110-A116 HydrophobicContact CZ2-CB 3.79Å
111	N	46.9	Very low	48.3	Very low	39 Å²	39	91.6 Å²	91.6	21%	0.209	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-68	-16.8	-177.9	-157.5	17.8	0	0	0	113.4	R22 P26 H109	R22-N111 WeakPolarHBondContact CG-OD1 3.24Å; R22-N111 VanDerWaalsContact CZ-O 3.31Å; R22-N111 PolarHBondContact NE-O 2.81Å; R22-N111 PolarHBondContact NE-OD1 3.48Å; R22-N111 VanDerWaalsContact NE-OD1 3.14Å; R22-N111 PolarHBondContact NH2-O 2.62Å; R22-N111 PolarHBondContact O-ND2 3Å; P26-N111 VanDerWaalsContact CG-ND2 3.33Å; P26-N111 WeakPolarHBondContact CG-ND2 3.27Å; H109-N111 PolarHBondContact O-N 3.34Å
112	S	49.5	Very low	49	Very low	91 Å²	91	86.5 Å²	86.5	64%	0.636	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-101.4	-1.8	-179	60.8	0	0	0	0	115.1	H109 W110	H109-S112 PolarHBondContact O-N 3.06Å; H109-S112 PolarHBondContact O-OG 2.85Å; W110-S112 PolarHBondContact O-N 2.97Å
113	R	54.1	Low	49.4	Very low	142 Å²	142	86.1 Å²	86.1	54%	0.536	47%	0.474	S	S	.	.			trans	-83.4	133.1	178.8	-69	-164.8	-175.3	-162.1	3.1	112.5	W110 D115	W110-R113 PolarHBondContact O-N 3.32Å; R113-D115 VanDerWaalsContact C-N 3.28Å; R113-D115 PolarHBondContact O-N 2.92Å
114	L	49.2	Very low	49.7	Very low	132 Å²	132	80.4 Å²	80.4	69%	0.691	45%	0.445	S	S	*	.	H	α-helix	trans	-66.3	-25.8	177.2	-79.7	159.2	0	0	0	113.1	F117 V118	L114-F117 VanDerWaalsContact O-CB 3.29Å; L114-F117 WeakPolarHBondContact O-CB 3.35Å; L114-F117 PolarHBondContact O-N 3.29Å; L114-V118 PolarHBondContact O-N 3.41Å
115	D	49.3	Very low	49.8	Very low	113 Å²	113	79.3 Å²	79.3	60%	0.604	44%	0.439	S	S	*	.	H	α-helix	trans	-72.4	-37.1	-175.4	-39.2	-31.3	0	0	0	112.2	R113 F117 V118 L119	R113-D115 VanDerWaalsContact C-N 3.28Å; R113-D115 PolarHBondContact O-N 2.92Å; D115-F117 PolarHBondContact O-N 3.45Å; D115-V118 PolarHBondContact O-N 3.29Å; D115-L119 PolarHBondContact O-N 3.21Å
116	A	53.2	Low	50.1	Low	15 Å²	15	78.9 Å²	78.9	12%	0.124	43%	0.43	C	S	.	.	H	α-helix	trans	-68.6	-27.3	174.4	0	0	0	0	0	112	W110 S120	W110-A116 HydrophobicContact CZ2-CB 3.79Å; A116-S120 PolarHBondContact O-N 3.49Å; A116-S120 PolarHBondContact O-OG 2.93Å
117	F	50.3	Low	50	Low	81 Å²	81	80 Å²	80	36%	0.355	44%	0.436	S	S	.	.	H	α-helix	trans	-69.9	-43	176.6	160.5	-94.1	0	0	0	112.1	L114 D115 S120 Y121	L114-F117 VanDerWaalsContact O-CB 3.29Å; L114-F117 WeakPolarHBondContact O-CB 3.35Å; L114-F117 PolarHBondContact O-N 3.29Å; D115-F117 PolarHBondContact O-N 3.45Å; F117-S120 PolarHBondContact O-OG 3.44Å; F117-Y121 AromaticContact CD2-CD2 3.97Å; F117-Y121 HydrophobicContact CD2-CD2 3.97Å; F117-Y121 HydrophobicContact CD2-CE2 4.13Å; F117-Y121 HydrophobicContact CE2-CD2 4.06Å; F117-Y121 HydrophobicContact CE2-CE2 4.13Å; F117-Y121 WeakPolarHBondContact O-CD2 3.4Å; F117-Y121 PolarHBondContact O-N 2.91Å
118	V	55.6	Low	49.8	Very low	82 Å²	82	77.9 Å²	77.9	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-66	-43.5	177.7	179.3	0	0	0	0	110.4	L114 D115 S120 V122	L114-V118 PolarHBondContact O-N 3.41Å; D115-V118 PolarHBondContact O-N 3.29Å; V118-S120 PolarHBondContact O-N 3.34Å; V118-V122 HydrophobicContact CG1-CG2 3.78Å; V118-V122 WeakPolarHBondContact O-CB 3.41Å; V118-V122 WeakPolarHBondContact O-CG2 3.33Å; V118-V122 PolarHBondContact O-N 2.88Å
119	L	53.7	Low	49.9	Very low	123 Å²	123	75.4 Å²	75.4	64%	0.644	42%	0.424	S	S	*	.	H	α-helix	trans	-67	-40.5	-174.7	-122.5	117.7	0	0	0	113.9	D115 A123	D115-L119 PolarHBondContact O-N 3.21Å; L119-A123 WeakPolarHBondContact O-CB 3.5Å; L119-A123 PolarHBondContact O-N 2.94Å; L119-A123 VanDerWaalsContact O-N 3.16Å
120	S	51.1	Low	49.7	Very low	21 Å²	21	73 Å²	73	15%	0.147	42%	0.415	C	S	.	.	H	α-helix	trans	-71.5	-37.1	-179.7	62.2	0	0	0	0	112.4	A116 F117 V118 A124	A116-S120 PolarHBondContact O-N 3.49Å; A116-S120 PolarHBondContact O-OG 2.93Å; F117-S120 PolarHBondContact O-OG 3.44Å; V118-S120 PolarHBondContact O-N 3.34Å; S120-A124 VanDerWaalsContact O-CB 3.25Å; S120-A124 WeakPolarHBondContact O-CB 3.32Å; S120-A124 PolarHBondContact O-N 2.71Å; S120-A124 VanDerWaalsContact O-N 3.11Å
121	Y	55.1	Low	49.6	Very low	46 Å²	46	77.1 Å²	77.1	18%	0.18	43%	0.431	C	S	.	.	H	α-helix	trans	-78.1	-38.5	179.7	-87.6	-79	0	0	0	112.9	L14 L80 F117 A123 A124 L125	L14-Y121 HydrophobicContact CD1-CE1 4.45Å; L14-Y121 HydrophobicContact CD2-CE1 3.31Å; L14-Y121 WeakPolarHBondContact CD2-OH 3.36Å; L14-Y121 HydrophobicContact CG-CE1 4.46Å; L80-Y121 HydrophobicContact CD2-CD1 4.39Å; L80-Y121 HydrophobicContact CD2-CE1 3.6Å; L80-Y121 HydrophobicContact CD2-CE2 3.98Å; L80-Y121 VanDerWaalsContact CD2-OH 3.3Å; L80-Y121 WeakPolarHBondContact CD2-OH 3.31Å; F117-Y121 AromaticContact CD2-CD2 3.97Å; F117-Y121 HydrophobicContact CD2-CD2 3.97Å; F117-Y121 HydrophobicContact CD2-CE2 4.13Å; F117-Y121 HydrophobicContact CE2-CD2 4.06Å; F117-Y121 HydrophobicContact CE2-CE2 4.13Å; F117-Y121 WeakPolarHBondContact O-CD2 3.4Å; F117-Y121 PolarHBondContact O-N 2.91Å; Y121-A123 VanDerWaalsContact C-N 3.29Å; Y121-A123 PolarHBondContact O-N 3.07Å; Y121-A124 PolarHBondContact O-N 3.22Å; Y121-L125 WeakPolarHBondContact O-CG 3.3Å; Y121-L125 PolarHBondContact O-N 3.02Å; Y121-L125 VanDerWaalsContact O-N 3.12Å
122	V	53.1	Low	49.5	Very low	93 Å²	93	80.5 Å²	80.5	56%	0.564	45%	0.445	S	S	*	.	H	α-helix	trans	-68.7	-26.1	175.5	172.8	0	0	0	0	111.9	V118 P126	V118-V122 HydrophobicContact CG1-CG2 3.78Å; V118-V122 WeakPolarHBondContact O-CB 3.41Å; V118-V122 WeakPolarHBondContact O-CG2 3.33Å; V118-V122 PolarHBondContact O-N 2.88Å; V122-P126 WeakPolarHBondContact O-CD 3.4Å; V122-P126 WeakPolarHBondContact O-CG 2.9Å
123	A	50.8	Low	49.4	Very low	65 Å²	65	82.6 Å²	82.6	54%	0.537	44%	0.442	S	S	.	.	H	α-helix	trans	-82.6	-34.5	171.8	0	0	0	0	0	113.4	L119 Y121 A127	L119-A123 WeakPolarHBondContact O-CB 3.5Å; L119-A123 PolarHBondContact O-N 2.94Å; L119-A123 VanDerWaalsContact O-N 3.16Å; Y121-A123 VanDerWaalsContact C-N 3.29Å; Y121-A123 PolarHBondContact O-N 3.07Å; A123-A127 WeakPolarHBondContact O-CB 3.39Å; A123-A127 PolarHBondContact O-N 3.1Å
124	A	47.3	Very low	48.7	Very low	12 Å²	12	79.9 Å²	79.9	10%	0.099	44%	0.438	C	S	.	.	H	α-helix	trans	-73.8	-35.2	-177.5	0	0	0	0	0	113.4	A79 S120 Y121 A128	A79-A124 HydrophobicContact CB-CB 4.04Å; S120-A124 VanDerWaalsContact O-CB 3.25Å; S120-A124 WeakPolarHBondContact O-CB 3.32Å; S120-A124 PolarHBondContact O-N 2.71Å; S120-A124 VanDerWaalsContact O-N 3.11Å; Y121-A124 PolarHBondContact O-N 3.22Å; A124-A128 VanDerWaalsContact O-CB 3.3Å; A124-A128 WeakPolarHBondContact O-CB 3.32Å; A124-A128 PolarHBondContact O-N 3.4Å
125	L	46.8	Very low	48	Very low	113 Å²	113	75.2 Å²	75.2	59%	0.592	42%	0.422	S	S	*	.	H	α-helix	trans	-66.6	-46.3	-178.8	-78.5	163.8	0	0	0	113.7	Y121 A129	Y121-L125 WeakPolarHBondContact O-CG 3.3Å; Y121-L125 PolarHBondContact O-N 3.02Å; Y121-L125 VanDerWaalsContact O-N 3.12Å; L125-A129 WeakPolarHBondContact O-CB 3.34Å; L125-A129 PolarHBondContact O-N 3.17Å
126	P	48.7	Very low	47.5	Very low	59 Å²	59	72.4 Å²	72.4	38%	0.383	42%	0.42	S	S	.	.	H	α-helix	trans	-66.4	-38.1	173.7	-19.8	31.3	0	0	0	112.7	V122 A129 L130	V122-P126 WeakPolarHBondContact O-CD 3.4Å; V122-P126 WeakPolarHBondContact O-CG 2.9Å; P126-A129 PolarHBondContact O-N 3.16Å; P126-L130 WeakPolarHBondContact O-CB 3.29Å; P126-L130 PolarHBondContact O-N 2.88Å
127	A	44.5	Very low	46.8	Very low	59 Å²	59	75 Å²	75	49%	0.488	43%	0.428	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.8	0	0	0	0	0	111.8	A123 L130 W131	A123-A127 WeakPolarHBondContact O-CB 3.39Å; A123-A127 PolarHBondContact O-N 3.1Å; A127-L130 PolarHBondContact O-N 2.81Å; A127-W131 VanDerWaalsContact O-CB 3.3Å; A127-W131 WeakPolarHBondContact O-CB 3.5Å; A127-W131 PolarHBondContact O-N 3.34Å
128	A	44.6	Very low	46.1	Very low	25 Å²	25	81.8 Å²	81.8	21%	0.207	45%	0.452	C	S	.	.	H	α-helix	trans	-66.1	-38.2	173.9	0	0	0	0	0	112.2	A124 H132	A124-A128 VanDerWaalsContact O-CB 3.3Å; A124-A128 WeakPolarHBondContact O-CB 3.32Å; A124-A128 PolarHBondContact O-N 3.4Å; A128-H132 WeakPolarHBondContact O-CB 3.49Å; A128-H132 PolarHBondContact O-N 3.48Å
129	A	46.1	Very low	45	Very low	58 Å²	58	80.7 Å²	80.7	48%	0.479	45%	0.451	S	S	.	.	H	α-helix	trans	-69.4	-38.5	175.7	0	0	0	0	0	113	L125 P126 K133	L125-A129 WeakPolarHBondContact O-CB 3.34Å; L125-A129 PolarHBondContact O-N 3.17Å; P126-A129 PolarHBondContact O-N 3.16Å; A129-K133 PolarHBondContact O-N 3.38Å; A129-K133 VanDerWaalsContact O-N 3.11Å
130	L	45.4	Very low	44.1	Very low	84 Å²	84	80.4 Å²	80.4	44%	0.44	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-45.3	173.4	-119	105.9	0	0	0	110.6	P126 A127 K133 L134 P313	P126-L130 WeakPolarHBondContact O-CB 3.29Å; P126-L130 PolarHBondContact O-N 2.88Å; A127-L130 PolarHBondContact O-N 2.81Å; L130-K133 PolarHBondContact O-N 3.01Å; L130-L134 HydrophobicContact CD2-CD1 3.93Å; L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.04Å; L130-P313 HydrophobicContact CD1-CG 3.97Å
131	W	46.2	Very low	43.3	Very low	167 Å²	167	83.8 Å²	83.8	63%	0.633	48%	0.48	S	S	*	.	H	α-helix	trans	-65.9	-38.1	179.1	-167.2	-92.9	0	0	0	112.2	A127 L134 G135	A127-W131 VanDerWaalsContact O-CB 3.3Å; A127-W131 WeakPolarHBondContact O-CB 3.5Å; A127-W131 PolarHBondContact O-N 3.34Å; W131-L134 PolarHBondContact O-N 2.96Å; W131-G135 WeakPolarHBondContact O-CA 3.4Å; W131-G135 PolarHBondContact O-N 3.25Å
132	H	45.6	Very low	42.3	Very low	109 Å²	109	85.4 Å²	85.4	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-66.9	-37.2	174.8	-169.9	-71.7	0	0	0	112	A128 G136	A128-H132 WeakPolarHBondContact O-CB 3.49Å; A128-H132 PolarHBondContact O-N 3.48Å; H132-G136 PolarHBondContact O-N 2.83Å; H132-G136 VanDerWaalsContact O-N 3.13Å
133	K	46.3	Very low	41.8	Very low	135 Å²	135	87.8 Å²	87.8	59%	0.587	52%	0.516	S	S	*	.	H	α-helix	trans	-70.6	-43.1	173.9	-87.3	-168	175.4	179	0	112.4	A129 L130 G136 F137	A129-K133 PolarHBondContact O-N 3.38Å; A129-K133 VanDerWaalsContact O-N 3.11Å; L130-K133 PolarHBondContact O-N 3.01Å; K133-G136 PolarHBondContact O-N 3.32Å; K133-F137 WeakPolarHBondContact O-CD2 3.07Å; K133-F137 PolarHBondContact O-N 3.01Å
134	L	40.5	Very low	41.6	Very low	85 Å²	85	93.3 Å²	93.3	45%	0.445	53%	0.528	S	S	.	.	H	α-helix	trans	-68	-35.2	176.3	-79.1	160.1	0	0	0	112.5	L130 W131 G136 F137 W138	L130-L134 HydrophobicContact CD2-CD1 3.93Å; L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.04Å; W131-L134 PolarHBondContact O-N 2.96Å; L134-G136 VanDerWaalsContact C-N 3.31Å; L134-G136 PolarHBondContact O-N 2.82Å; L134-F137 WeakPolarHBondContact O-CA 3.26Å; L134-F137 VanDerWaalsContact O-CB 3.26Å; L134-F137 WeakPolarHBondContact O-CB 3.32Å; L134-F137 PolarHBondContact O-N 3.22Å; L134-W138 PolarHBondContact O-N 3.03Å
135	G	34.9	Very low	41.9	Very low	35 Å²	35	94 Å²	94	36%	0.361	54%	0.536	S	S	.	.	H	α-helix	trans	-66.3	-34.2	172.5	0	0	0	0	0	112.1	W131 F137 W138 A139	W131-G135 WeakPolarHBondContact O-CA 3.4Å; W131-G135 PolarHBondContact O-N 3.25Å; G135-F137 VanDerWaalsContact C-N 3.26Å; G135-F137 PolarHBondContact O-N 3.07Å; G135-W138 CarbonylContact O-C 3.54Å; G135-W138 PolarHBondContact O-N 3.11Å; G135-W138 VanDerWaalsContact O-N 3.15Å; G135-A139 PolarHBondContact O-N 3.04Å
136	G	38.9	Very low	42.4	Very low	53 Å²	53	90.8 Å²	90.8	55%	0.546	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-21.9	167.8	0	0	0	0	0	114.3	H132 K133 L134	H132-G136 PolarHBondContact O-N 2.83Å; H132-G136 VanDerWaalsContact O-N 3.13Å; K133-G136 PolarHBondContact O-N 3.32Å; L134-G136 VanDerWaalsContact C-N 3.31Å; L134-G136 PolarHBondContact O-N 2.82Å
137	F	37.6	Very low	43.1	Very low	70 Å²	70	90.1 Å²	90.1	31%	0.307	53%	0.53	S	S	.	.	H	α-helix	trans	-77.9	-21.7	169.8	-82	-82.6	0	0	0	113.4	K133 L134 G135 R320 Y442	K133-F137 WeakPolarHBondContact O-CD2 3.07Å; K133-F137 PolarHBondContact O-N 3.01Å; L134-F137 WeakPolarHBondContact O-CA 3.26Å; L134-F137 VanDerWaalsContact O-CB 3.26Å; L134-F137 WeakPolarHBondContact O-CB 3.32Å; L134-F137 PolarHBondContact O-N 3.22Å; G135-F137 VanDerWaalsContact C-N 3.26Å; G135-F137 PolarHBondContact O-N 3.07Å; F137-R320 VanDerWaalsContact CE1-NH2 3.34Å; F137-Y442 PolarHBondContact O-OH 3.09Å
138	W	35.8	Very low	44.3	Very low	223 Å²	223	91.6 Å²	91.6	85%	0.845	53%	0.53	S	S	*	.	H	α-helix	trans	-106.5	-0.8	-178.9	-80.7	57	0	0	0	112.9	L134 G135	L134-W138 PolarHBondContact O-N 3.03Å; G135-W138 CarbonylContact O-C 3.54Å; G135-W138 PolarHBondContact O-N 3.11Å; G135-W138 VanDerWaalsContact O-N 3.15Å
139	A	32.6	Very low	45.5	Very low	59 Å²	59	91.5 Å²	91.5	49%	0.488	53%	0.525	S	S	.	.	S	Bend	trans	-69	123	175.8	0	0	0	0	0	109.5	G135 S141	G135-A139 PolarHBondContact O-N 3.04Å; A139-S141 PolarHBondContact O-N 3.15Å
140	P	34.5	Very low	46.7	Very low	117 Å²	117	91 Å²	91	76%	0.76	51%	0.514	S	S	*	.			trans	-67.3	103.2	179.4	26.2	-30.6	0	0	0	108.8	G142	P140-G142 PolarHBondContact O-N 3.13Å; P140-G142 VanDerWaalsContact O-N 3.09Å
141	S	33.6	Very low	48	Very low	92 Å²	92	91 Å²	91	64%	0.643	52%	0.52	S	S	*	.			trans	-72.9	97.6	171.8	55.5	0	0	0	0	109.4	A139 H143	A139-S141 PolarHBondContact O-N 3.15Å; S141-H143 PolarHBondContact O-N 3.32Å
142	G	35.5	Very low	49.5	Very low	80 Å²	80	87.5 Å²	87.5	83%	0.825	51%	0.507	S	S	*	.	S	Bend	trans	57.3	-9.7	142.6	0	0	0	0	0	122.2	P140	P140-G142 PolarHBondContact O-N 3.13Å; P140-G142 VanDerWaalsContact O-N 3.09Å
143	H	41.8	Very low	50.9	Low	144 Å²	144	82.7 Å²	82.7	67%	0.667	49%	0.485	S	S	*	.	S	Bend	trans	-116.8	146.9	172.2	-74.2	-12.7	0	0	0	108.4	S141 G145	S141-H143 PolarHBondContact O-N 3.32Å; H143-G145 WeakPolarHBondContact O-CA 3.09Å; H143-G145 PolarHBondContact O-N 3.42Å
144	K	45.9	Very low	52.1	Low	180 Å²	180	79.5 Å²	79.5	78%	0.783	47%	0.474	S	S	*	.	S	Bend	trans	-43.7	113.3	174.8	-76.2	176.2	174.9	177.6	0	107.7
145	G	54.8	Low	53.8	Low	27 Å²	27	77 Å²	77	28%	0.278	47%	0.469	S	S	.	.			trans	-62.7	146.4	-145.4	0	0	0	0	0	113.9	H143 G147 D148 M149	H143-G145 WeakPolarHBondContact O-CA 3.09Å; H143-G145 PolarHBondContact O-N 3.42Å; G145-G147 PolarHBondContact O-N 3.48Å; G145-D148 WeakPolarHBondContact O-CA 3.24Å; G145-D148 WeakPolarHBondContact O-CB 3.48Å; G145-D148 PolarHBondContact O-N 2.97Å; G145-M149 PolarHBondContact O-N 2.85Å
146	A	56.3	Low	55.7	Low	46 Å²	46	77.3 Å²	77.3	38%	0.38	46%	0.46	S	S	.	.	H	α-helix	trans	-51.6	-28.8	172.3	0	0	0	0	0	113.1	L150 V449	A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 3.02Å; A146-L150 VanDerWaalsContact O-N 3.09Å; A146-V449 VanDerWaalsContact CA-CG1 3.5Å; A146-V449 HydrophobicContact CB-CB 4.15Å; A146-V449 HydrophobicContact CB-CG1 3.57Å; A146-V449 HydrophobicContact CB-CG2 4.46Å
147	G	63.2	Low	57.3	Low	45 Å²	45	75.2 Å²	75.2	46%	0.464	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-36.4	172.1	0	0	0	0	0	114.1	G145 L150 C151	G145-G147 PolarHBondContact O-N 3.48Å; G147-L150 PolarHBondContact O-N 3.4Å; G147-C151 WeakPolarHBondContact O-CB 3.38Å; G147-C151 PolarHBondContact O-N 3.34Å; G147-C151 PolarHBondContact O-SG 3.21Å
148	D	69.2	Low	58.7	Low	90 Å²	90	76.4 Å²	76.4	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-68.3	-42.3	177.6	-168.1	32.7	0	0	0	110.8	G145 C151 R152	G145-D148 WeakPolarHBondContact O-CA 3.24Å; G145-D148 WeakPolarHBondContact O-CB 3.48Å; G145-D148 PolarHBondContact O-N 2.97Å; D148-C151 CarbonylContact O-C 3.54Å; D148-C151 WeakPolarHBondContact O-CB 3.47Å; D148-C151 PolarHBondContact O-N 2.94Å; D148-R152 VanDerWaalsContact O-CG 3.3Å; D148-R152 WeakPolarHBondContact O-CG 3.21Å; D148-R152 PolarHBondContact O-N 2.95Å
149	M	71.1	Confident	60	Low	22 Å²	22	70.9 Å²	70.9	11%	0.108	44%	0.441	C	S	.	.	H	α-helix	trans	-63.6	-43.7	175	-66.1	-179.7	-172.5	0	0	112.3	G145 C151 R152 M153 V449 E453	G145-M149 PolarHBondContact O-N 2.85Å; M149-C151 VanDerWaalsContact C-N 3.33Å; M149-C151 PolarHBondContact O-N 3.45Å; M149-R152 PolarHBondContact O-N 2.96Å; M149-M153 WeakPolarHBondContact O-CG 3.26Å; M149-M153 PolarHBondContact O-N 3.14Å; M149-V449 HydrophobicContact CB-CG1 3.78Å; M149-V449 HydrophobicContact CG-CG1 4.26Å; M149-V449 HydrophobicContact SD-CG1 3.63Å; M149-E453 HydrophobicContact CE-CB 3.59Å; M149-E453 HydrophobicContact CE-CG 3.48Å; M149-E453 VanDerWaalsContact CE-CG 3.48Å; M149-E453 HydrophobicContact SD-CB 3.91Å; M149-E453 HydrophobicContact SD-CG 4.46Å
150	L	70.8	Confident	61.9	Low	47 Å²	47	70.2 Å²	70.2	25%	0.246	43%	0.428	C	S	.	.	H	α-helix	trans	-61.8	-42	172.9	-75.1	170.2	0	0	0	111.4	A146 G147 R152 M153 L154 I276 M445 V449	A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 3.02Å; A146-L150 VanDerWaalsContact O-N 3.09Å; G147-L150 PolarHBondContact O-N 3.4Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 3.22Å; L150-M153 PolarHBondContact O-N 3.35Å; L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.4Å; L150-L154 PolarHBondContact O-N 3.28Å; L150-I276 HydrophobicContact CD2-CG2 4.11Å; L150-M445 HydrophobicContact CD2-SD 4.3Å; L150-V449 HydrophobicContact CD1-CG2 4.04Å; L150-V449 HydrophobicContact CD2-CG2 3.87Å; L150-V449 HydrophobicContact CG-CG2 3.7Å
151	C	72.8	Confident	63.8	Low	85 Å²	85	69.5 Å²	69.5	57%	0.574	41%	0.412	S	S	*	.	H	α-helix	trans	-61.9	-38.8	174.5	-77.8	0	0	0	0	112.3	G147 D148 M149 L154 G155	G147-C151 WeakPolarHBondContact O-CB 3.38Å; G147-C151 PolarHBondContact O-N 3.34Å; G147-C151 PolarHBondContact O-SG 3.21Å; D148-C151 CarbonylContact O-C 3.54Å; D148-C151 WeakPolarHBondContact O-CB 3.47Å; D148-C151 PolarHBondContact O-N 2.94Å; M149-C151 VanDerWaalsContact C-N 3.33Å; M149-C151 PolarHBondContact O-N 3.45Å; C151-L154 CarbonylContact O-C 3.57Å; C151-L154 PolarHBondContact O-N 3.4Å; C151-G155 PolarHBondContact O-N 2.98Å
152	R	77.1	Confident	66.1	Low	94 Å²	94	67.8 Å²	67.8	36%	0.355	41%	0.409	S	S	.	.	H	α-helix	trans	-68.2	-41.6	175.4	-70.6	-178.4	78.7	-167	2.7	112	D148 M149 L150 G155 F156 F456 D460	D148-R152 VanDerWaalsContact O-CG 3.3Å; D148-R152 WeakPolarHBondContact O-CG 3.21Å; D148-R152 PolarHBondContact O-N 2.95Å; M149-R152 PolarHBondContact O-N 2.96Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 3.22Å; R152-G155 WeakPolarHBondContact O-CA 3.27Å; R152-G155 PolarHBondContact O-N 3.31Å; R152-G155 VanDerWaalsContact O-N 3.09Å; R152-F156 VanDerWaalsContact O-CD2 3.27Å; R152-F156 WeakPolarHBondContact O-CD2 3.44Å; R152-F156 PolarHBondContact O-N 3.39Å; R152-F456 HydrophobicContact CB-CE1 4.11Å; R152-F456 HydrophobicContact CB-CZ 4.03Å; R152-D460 IonicContact CZ-OD1 3.4Å; R152-D460 IonicContact CZ-OD2 3.98Å; R152-D460 IonicContact NH1-OD1 3.69Å; R152-D460 IonicContact NH1-OD2 2.96Å; R152-D460 PolarHBondContact NH1-OD2 2.8Å; R152-D460 IonicContact NH2-OD1 2.83Å; R152-D460 PolarHBondContact NH2-OD1 3.22Å; R152-D460 IonicContact NH2-OD2 2.84Å; R152-D460 PolarHBondContact NH2-OD2 2.75Å
153	M	74.9	Confident	68.5	Low	7 Å²	7	69 Å²	69	3%	0.034	39%	0.389	C	S	.	.	H	α-helix	trans	-62.9	-45	173.2	-71	-165.6	85.4	0	0	111.8	M149 L150 G155 F156 V272 I276 F456	M149-M153 WeakPolarHBondContact O-CG 3.26Å; M149-M153 PolarHBondContact O-N 3.14Å; L150-M153 PolarHBondContact O-N 3.35Å; M153-G155 PolarHBondContact O-N 3.12Å; M153-F156 WeakPolarHBondContact O-CB 3.47Å; M153-F156 PolarHBondContact O-N 3.1Å; M153-F156 VanDerWaalsContact O-N 3.07Å; M153-V272 HydrophobicContact CE-CG1 4.29Å; M153-I276 HydrophobicContact CE-CD1 3.94Å; M153-I276 HydrophobicContact SD-CD1 3.24Å; M153-I276 WeakPolarHBondContact SD-CD1 3.36Å; M153-F456 HydrophobicContact CG-CE2 3.55Å; M153-F456 HydrophobicContact CG-CZ 3.47Å; M153-F456 VanDerWaalsContact CG-CZ 3.47Å; M153-F456 HydrophobicContact SD-CE2 4.14Å
154	L	72.1	Confident	70.4	Confident	68 Å²	68	64.4 Å²	64.4	36%	0.356	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-24.9	172.5	-68.7	171.9	0	0	0	112.2	L150 C151 F156 L157 L280	L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.4Å; L150-L154 PolarHBondContact O-N 3.28Å; C151-L154 CarbonylContact O-C 3.57Å; C151-L154 PolarHBondContact O-N 3.4Å; L154-F156 PolarHBondContact O-N 3.04Å; L154-L157 HydrophobicContact CD2-CD1 3.81Å; L154-L157 WeakPolarHBondContact O-CA 3.35Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.49Å; L154-L157 PolarHBondContact O-N 3.34Å; L154-L280 HydrophobicContact CD2-CD2 4.06Å
155	G	76.6	Confident	72.4	Confident	34 Å²	34	62 Å²	62	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-29.3	171.1	0	0	0	0	0	113	C151 R152 M153 L157 D158	C151-G155 PolarHBondContact O-N 2.98Å; R152-G155 WeakPolarHBondContact O-CA 3.27Å; R152-G155 PolarHBondContact O-N 3.31Å; R152-G155 VanDerWaalsContact O-N 3.09Å; M153-G155 PolarHBondContact O-N 3.12Å; G155-L157 PolarHBondContact O-N 3.37Å; G155-D158 WeakPolarHBondContact O-CB 3.41Å; G155-D158 PolarHBondContact O-N 2.85Å
156	F	75.2	Confident	74	Confident	40 Å²	40	64.8 Å²	64.8	18%	0.175	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.6	173.3	-68.8	-83.6	0	0	0	113.2	R152 M153 L154 M233 R236 V237 E240 F456 L459	R152-F156 VanDerWaalsContact O-CD2 3.27Å; R152-F156 WeakPolarHBondContact O-CD2 3.44Å; R152-F156 PolarHBondContact O-N 3.39Å; M153-F156 WeakPolarHBondContact O-CB 3.47Å; M153-F156 PolarHBondContact O-N 3.1Å; M153-F156 VanDerWaalsContact O-N 3.07Å; L154-F156 PolarHBondContact O-N 3.04Å; F156-M233 HydrophobicContact CB-CG 4.31Å; F156-R236 HydrophobicContact CD1-CG 4.39Å; F156-R236 PolarHBondContact O-NH1 3Å; F156-R236 VanDerWaalsContact O-NH1 3.07Å; F156-V237 HydrophobicContact CB-CG2 4.41Å; F156-V237 HydrophobicContact CD2-CG2 4.12Å; F156-V237 HydrophobicContact CG-CG2 4.1Å; F156-E240 HydrophobicContact CE1-CG 4.24Å; F156-F456 HydrophobicContact CE2-CE1 4.13Å; F156-F456 HydrophobicContact CE2-CZ 4.38Å; F156-L459 HydrophobicContact CZ-CD1 4.19Å
157	L	72.3	Confident	75.6	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.052	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.9	174.2	-77.2	132.1	0	0	0	114.1	L154 G155 S159 K160 L164 T229 M230 M233	L154-L157 HydrophobicContact CD2-CD1 3.81Å; L154-L157 WeakPolarHBondContact O-CA 3.35Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.49Å; L154-L157 PolarHBondContact O-N 3.34Å; G155-L157 PolarHBondContact O-N 3.37Å; L157-S159 PolarHBondContact O-N 3.4Å; L157-K160 PolarHBondContact O-N 3.16Å; L157-L164 HydrophobicContact CB-CD1 4.47Å; L157-L164 HydrophobicContact CD2-CD1 4.13Å; L157-T229 HydrophobicContact CD2-CG2 3.48Å; L157-T229 VanDerWaalsContact CD2-CG2 3.48Å; L157-M230 HydrophobicContact CD1-SD 4.46Å; L157-M233 HydrophobicContact CD1-CB 4.49Å; L157-M233 HydrophobicContact CD1-CG 4.08Å; L157-M233 HydrophobicContact CD1-SD 3.44Å; L157-M233 WeakPolarHBondContact CD1-SD 3.46Å; L157-M233 HydrophobicContact CG-CB 4.26Å; L157-M233 HydrophobicContact CG-CG 4.15Å; L157-M233 HydrophobicContact CG-SD 4.16Å
158	D	65.6	Low	76.8	Confident	95 Å²	95	64.6 Å²	64.6	51%	0.508	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-53.1	-32.1	-170.5	-114.5	36.8	0	0	0	114.8	G155 K160 K161	G155-D158 WeakPolarHBondContact O-CB 3.41Å; G155-D158 PolarHBondContact O-N 2.85Å; D158-K160 VanDerWaalsContact C-N 3.28Å; D158-K160 PolarHBondContact O-N 2.79Å; D158-K161 WeakPolarHBondContact OD1-CE 3.28Å; D158-K161 IonicContact OD1-NZ 2.66Å; D158-K161 PolarHBondContact OD1-NZ 2.88Å; D158-K161 IonicContact OD2-NZ 3.84Å; D158-K161 PolarHBondContact OD2-NZ 2.82Å
159	S	64.5	Low	77.8	Confident	106 Å²	106	64.7 Å²	64.7	74%	0.741	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-72.8	-14.3	179.3	178.2	0	0	0	0	114.1	L157	L157-S159 PolarHBondContact O-N 3.4Å
160	K	72.2	Confident	78.7	Confident	45 Å²	45	64.9 Å²	64.9	20%	0.196	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-130.4	21	-172	-66.4	-172.3	177.3	-172.2	0	115.1	L157 D158 G162 R163 H232	L157-K160 PolarHBondContact O-N 3.16Å; D158-K160 VanDerWaalsContact C-N 3.28Å; D158-K160 PolarHBondContact O-N 2.79Å; K160-G162 PolarHBondContact O-N 3.27Å; K160-R163 VanDerWaalsContact NZ-NH1 3.18Å; K160-R163 WeakPolarHBondContact O-CB 3.14Å; K160-R163 PolarHBondContact O-N 2.83Å; K160-H232 PolarHBondContact NZ-CE1 3.35Å; K160-H232 PolarHBondContact NZ-ND1 3.26Å
161	K	75.2	Confident	79.6	Confident	102 Å²	102	63 Å²	63	44%	0.443	35%	0.345	S	S	.	.	H	α-helix	trans	-49.3	-34.8	178.3	-71.5	177.3	173.8	158.9	0	114.1	D158 R163 L164 H165	D158-K161 WeakPolarHBondContact OD1-CE 3.28Å; D158-K161 IonicContact OD1-NZ 2.66Å; D158-K161 PolarHBondContact OD1-NZ 2.88Å; D158-K161 IonicContact OD2-NZ 3.84Å; D158-K161 PolarHBondContact OD2-NZ 2.82Å; K161-R163 VanDerWaalsContact C-N 3.27Å; K161-R163 PolarHBondContact O-N 2.99Å; K161-L164 PolarHBondContact O-N 3.18Å; K161-H165 PolarHBondContact O-CD2 3.33Å; K161-H165 VanDerWaalsContact O-CD2 3.25Å; K161-H165 PolarHBondContact O-N 3.35Å; K161-H165 VanDerWaalsContact O-N 3.15Å
162	G	80.6	Confident	80.3	Confident	56 Å²	56	62.6 Å²	62.6	58%	0.577	34%	0.337	S	S	*	.	H	α-helix	trans	-59	-32.8	176.3	0	0	0	0	0	114.3	K160 L166	K160-G162 PolarHBondContact O-N 3.27Å; G162-L166 PolarHBondContact O-N 3.27Å; G162-L166 VanDerWaalsContact O-N 3.1Å
163	R	85.6	Confident	80.9	Confident	106 Å²	106	62.5 Å²	62.5	40%	0.4	34%	0.343	S	S	.	.	H	α-helix	trans	-72.5	-36.4	177.3	-63.1	-174.1	-175	-171.7	-4.7	112.1	K160 K161 L166 V167 I225	K160-R163 VanDerWaalsContact NZ-NH1 3.18Å; K160-R163 WeakPolarHBondContact O-CB 3.14Å; K160-R163 PolarHBondContact O-N 2.83Å; K161-R163 VanDerWaalsContact C-N 3.27Å; K161-R163 PolarHBondContact O-N 2.99Å; R163-L166 WeakPolarHBondContact O-CB 3.4Å; R163-L166 PolarHBondContact O-N 3.35Å; R163-V167 WeakPolarHBondContact O-CG2 3.48Å; R163-V167 PolarHBondContact O-N 2.89Å; R163-I225 HydrophobicContact CB-CG2 4.3Å
164	L	83.4	Confident	81.7	Confident	47 Å²	47	62.1 Å²	62.1	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-40.1	174.9	-74.1	172	0	0	0	111.7	L157 K161 L166 V167 L168	L157-L164 HydrophobicContact CB-CD1 4.47Å; L157-L164 HydrophobicContact CD2-CD1 4.13Å; K161-L164 PolarHBondContact O-N 3.18Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 2.92Å; L164-V167 PolarHBondContact O-N 3Å; L164-L168 PolarHBondContact O-N 3.38Å
165	H	86.1	Confident	82.4	Confident	129 Å²	129	58.9 Å²	58.9	60%	0.597	32%	0.324	S	S	*	.	H	α-helix	trans	-61.6	-41.7	172.7	-73.2	-60.3	0	0	0	111.9	K161 L168 V169	K161-H165 PolarHBondContact O-CD2 3.33Å; K161-H165 VanDerWaalsContact O-CD2 3.25Å; K161-H165 PolarHBondContact O-N 3.35Å; K161-H165 VanDerWaalsContact O-N 3.15Å; H165-L168 PolarHBondContact O-N 3.07Å; H165-V169 WeakPolarHBondContact O-CG2 3.38Å; H165-V169 PolarHBondContact O-N 3.46Å
166	L	90	Very high	82.9	Confident	87 Å²	87	61.2 Å²	61.2	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-44.9	174.9	-177.5	66.3	0	0	0	111.9	G162 R163 L164 L168 V169 L170 I225	G162-L166 PolarHBondContact O-N 3.27Å; G162-L166 VanDerWaalsContact O-N 3.1Å; R163-L166 WeakPolarHBondContact O-CB 3.4Å; R163-L166 PolarHBondContact O-N 3.35Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 2.92Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 2.92Å; L166-V169 PolarHBondContact O-N 3.3Å; L166-L170 HydrophobicContact CD1-CD1 4.42Å; L166-L170 HydrophobicContact CD1-CG 4.47Å; L166-L170 HydrophobicContact CG-CD1 4.03Å; L166-L170 HydrophobicContact CG-CG 4.49Å; L166-L170 WeakPolarHBondContact O-CB 3.44Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.4Å; L166-I225 HydrophobicContact CD2-CD1 3.89Å
167	V	89.7	Confident	83.4	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-45.2	175.1	171.2	0	0	0	0	110.7	R163 L164 V169 L170 L171 I225 Y226	R163-V167 WeakPolarHBondContact O-CG2 3.48Å; R163-V167 PolarHBondContact O-N 2.89Å; L164-V167 PolarHBondContact O-N 3Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.23Å; V167-L170 PolarHBondContact O-N 3.28Å; V167-L171 WeakPolarHBondContact O-CB 3.44Å; V167-L171 PolarHBondContact O-N 3.02Å; V167-I225 HydrophobicContact CG2-CB 4Å; V167-I225 HydrophobicContact CG2-CG2 3.67Å; V167-Y226 HydrophobicContact CG1-CD2 4.26Å
168	L	88.2	Confident	84.1	Confident	81 Å²	81	60.5 Å²	60.5	42%	0.424	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-41.6	178.7	-169.7	115.5	0	0	0	112.1	L164 H165 L166 L171 I172 L284	L164-L168 PolarHBondContact O-N 3.38Å; H165-L168 PolarHBondContact O-N 3.07Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 2.92Å; L168-L171 PolarHBondContact O-N 2.98Å; L168-I172 HydrophobicContact CD2-CD1 3.97Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.35Å; L168-I172 PolarHBondContact O-N 3.13Å; L168-L284 HydrophobicContact CD1-CD2 4.41Å
169	V	89.9	Confident	85	Confident	92 Å²	92	56 Å²	56	56%	0.558	30%	0.302	S	S	*	.	H	α-helix	trans	-65.7	-46.9	176.6	171.8	0	0	0	0	111.3	H165 L166 V167 L171 I172 L173	H165-V169 WeakPolarHBondContact O-CG2 3.38Å; H165-V169 PolarHBondContact O-N 3.46Å; L166-V169 PolarHBondContact O-N 3.3Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.23Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.15Å; V169-I172 PolarHBondContact O-N 3.41Å; V169-L173 WeakPolarHBondContact O-CB 3.48Å; V169-L173 PolarHBondContact O-N 3.22Å
170	L	90.8	Very high	86.1	Confident	27 Å²	27	51.4 Å²	51.4	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-39.5	177.6	-72.4	170.7	0	0	0	111.7	L166 V167 L173 S174 L218 I225	L166-L170 HydrophobicContact CD1-CD1 4.42Å; L166-L170 HydrophobicContact CD1-CG 4.47Å; L166-L170 HydrophobicContact CG-CD1 4.03Å; L166-L170 HydrophobicContact CG-CG 4.49Å; L166-L170 WeakPolarHBondContact O-CB 3.44Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.4Å; V167-L170 PolarHBondContact O-N 3.28Å; L170-L173 PolarHBondContact O-N 3.18Å; L170-S174 WeakPolarHBondContact O-CB 3.22Å; L170-S174 PolarHBondContact O-N 2.86Å; L170-L218 HydrophobicContact CD2-CD2 3.66Å; L170-I225 HydrophobicContact CD1-CD1 3.9Å
171	L	89.3	Confident	86.9	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-46.1	178.2	-174.5	152.5	0	0	0	111.7	V167 L168 V169 L173 S174 C175 L284 W285	V167-L171 WeakPolarHBondContact O-CB 3.44Å; V167-L171 PolarHBondContact O-N 3.02Å; L168-L171 PolarHBondContact O-N 2.98Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.15Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 3.4Å; L171-S174 PolarHBondContact O-N 3.12Å; L171-C175 WeakPolarHBondContact O-CB 3.47Å; L171-C175 PolarHBondContact O-N 3.11Å; L171-C175 PolarHBondContact O-SG 3.05Å; L171-L284 HydrophobicContact CD1-CB 4.31Å; L171-W285 HydrophobicContact CD1-CB 4.33Å; L171-W285 HydrophobicContact CD1-CD2 3.7Å; L171-W285 HydrophobicContact CD1-CE3 4.37Å; L171-W285 HydrophobicContact CD1-CG 3.66Å; L171-W285 HydrophobicContact CD1-CZ2 4.44Å; L171-W285 HydrophobicContact CG-CD2 4.02Å; L171-W285 HydrophobicContact CG-CE3 4.19Å; L171-W285 HydrophobicContact CG-CG 4.39Å
172	I	87.9	Confident	87.6	Confident	76 Å²	76	47.6 Å²	47.6	39%	0.39	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.7	-67.6	166	0	0	0	110.5	L168 V169 C175 L176	L168-I172 HydrophobicContact CD2-CD1 3.97Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.35Å; L168-I172 PolarHBondContact O-N 3.13Å; V169-I172 PolarHBondContact O-N 3.41Å; I172-C175 PolarHBondContact O-N 3.48Å; I172-L176 WeakPolarHBondContact O-CG 3.31Å; I172-L176 PolarHBondContact O-N 2.98Å
173	L	88.6	Confident	88	Confident	92 Å²	92	47.6 Å²	47.6	48%	0.482	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-40.8	179.3	-171.6	64.5	0	0	0	111.9	V169 L170 L171 L176 G177 L218	V169-L173 WeakPolarHBondContact O-CB 3.48Å; V169-L173 PolarHBondContact O-N 3.22Å; L170-L173 PolarHBondContact O-N 3.18Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 3.4Å; L173-L176 PolarHBondContact O-N 2.76Å; L173-G177 PolarHBondContact O-N 3.11Å; L173-L218 HydrophobicContact CB-CD1 4.23Å; L173-L218 HydrophobicContact CD2-CD1 3.66Å; L173-L218 HydrophobicContact CD2-CD2 4.19Å; L173-L218 HydrophobicContact CG-CD1 3.68Å
174	S	91.1	Very high	88.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-44.2	175.2	-171.6	0	0	0	0	112.1	L170 L171 L176 G177 E178 S215 E219	L170-S174 WeakPolarHBondContact O-CB 3.22Å; L170-S174 PolarHBondContact O-N 2.86Å; L171-S174 PolarHBondContact O-N 3.12Å; S174-L176 PolarHBondContact O-N 3.27Å; S174-G177 CarbonylContact O-C 3.5Å; S174-G177 WeakPolarHBondContact O-CA 3.29Å; S174-G177 PolarHBondContact O-N 2.67Å; S174-E178 PolarHBondContact O-N 2.91Å; S174-S215 WeakPolarHBondContact OG-CB 3.41Å; S174-S215 PolarHBondContact OG-O 2.8Å; S174-S215 VanDerWaalsContact OG-O 3.13Å; S174-E219 WeakPolarHBondContact OG-CG 3.05Å; S174-E219 PolarHBondContact OG-OE1 2.89Å
175	C	88.3	Confident	88.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.7	-41.1	177.5	-79.1	0	0	0	0	111.4	L171 I172 G177 E178 M179 C292	L171-C175 WeakPolarHBondContact O-CB 3.47Å; L171-C175 PolarHBondContact O-N 3.11Å; L171-C175 PolarHBondContact O-SG 3.05Å; I172-C175 PolarHBondContact O-N 3.48Å; C175-G177 VanDerWaalsContact C-N 3.31Å; C175-G177 PolarHBondContact O-N 3.36Å; C175-E178 PolarHBondContact O-N 3.26Å; C175-M179 VanDerWaalsContact O-CG 3.25Å; C175-M179 WeakPolarHBondContact O-CG 3.46Å; C175-M179 PolarHBondContact O-N 2.96Å; C175-M179 VanDerWaalsContact O-N 3.08Å; C175-C292 HydrophobicContact CB-CB 4.4Å
176	L	85.6	Confident	88.5	Confident	82 Å²	82	37.1 Å²	37.1	43%	0.429	20%	0.198	S	C	.	.	H	α-helix	trans	-61.3	-38	175.1	-70.3	167.9	0	0	0	112.7	I172 L173 S174 F296	I172-L176 WeakPolarHBondContact O-CG 3.31Å; I172-L176 PolarHBondContact O-N 2.98Å; L173-L176 PolarHBondContact O-N 2.76Å; S174-L176 PolarHBondContact O-N 3.27Å; L176-F296 HydrophobicContact CD2-CE2 4.03Å; L176-F296 HydrophobicContact CD2-CZ 4.31Å
177	G	86.7	Confident	88.3	Confident	5 Å²	5	39.2 Å²	39.2	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-71.2	-40.2	175.9	0	0	0	0	0	113.2	L173 S174 C175 M179 A180	L173-G177 PolarHBondContact O-N 3.11Å; S174-G177 CarbonylContact O-C 3.5Å; S174-G177 WeakPolarHBondContact O-CA 3.29Å; S174-G177 PolarHBondContact O-N 2.67Å; C175-G177 VanDerWaalsContact C-N 3.31Å; C175-G177 PolarHBondContact O-N 3.36Å; G177-M179 VanDerWaalsContact C-N 3.26Å; G177-M179 PolarHBondContact O-N 3.37Å; G177-A180 WeakPolarHBondContact O-CB 3.21Å; G177-A180 PolarHBondContact O-N 3.23Å; G177-A180 VanDerWaalsContact O-N 3.07Å
178	E	85.9	Confident	88.1	Confident	31 Å²	31	40.5 Å²	40.5	15%	0.145	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-37.6	173.2	-71.1	-164.4	110.7	0	0	111.9	S174 C175 A180 I181 E219 R289	S174-E178 PolarHBondContact O-N 2.91Å; C175-E178 PolarHBondContact O-N 3.26Å; E178-A180 PolarHBondContact O-N 3.34Å; E178-I181 PolarHBondContact O-N 2.85Å; E178-E219 VanDerWaalsContact CG-OE1 3.24Å; E178-E219 WeakPolarHBondContact CG-OE1 3.17Å; E178-R289 VanDerWaalsContact CD-NH1 3.32Å; E178-R289 IonicContact OE1-CZ 3.64Å; E178-R289 IonicContact OE1-NH1 2.86Å; E178-R289 PolarHBondContact OE1-NH1 3.49Å; E178-R289 IonicContact OE1-NH2 2.65Å; E178-R289 IonicContact OE2-CZ 3.39Å; E178-R289 IonicContact OE2-NE 3.38Å; E178-R289 IonicContact OE2-NH1 3.13Å; E178-R289 PolarHBondContact OE2-NH1 3.5Å
179	M	86	Confident	88	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.7	178.4	-66.2	-42.2	108.9	0	0	113.4	C175 G177 I181 P182 R289 C292 L293 F296 Y427	C175-M179 VanDerWaalsContact O-CG 3.25Å; C175-M179 WeakPolarHBondContact O-CG 3.46Å; C175-M179 PolarHBondContact O-N 2.96Å; C175-M179 VanDerWaalsContact O-N 3.08Å; G177-M179 VanDerWaalsContact C-N 3.26Å; G177-M179 PolarHBondContact O-N 3.37Å; M179-I181 VanDerWaalsContact C-N 3.28Å; M179-I181 PolarHBondContact O-N 3.37Å; M179-P182 WeakPolarHBondContact O-CD 3.39Å; M179-R289 HydrophobicContact CE-CG 3.93Å; M179-C292 HydrophobicContact CG-CB 4.4Å; M179-L293 HydrophobicContact CE-CD2 4.15Å; M179-L293 HydrophobicContact CE-CG 4.11Å; M179-L293 HydrophobicContact SD-CD2 3.18Å; M179-L293 WeakPolarHBondContact SD-CD2 3.32Å; M179-L293 HydrophobicContact SD-CG 3.52Å; M179-L293 VanDerWaalsContact SD-CG 3.52Å; M179-F296 HydrophobicContact CB-CD2 3.9Å; M179-F296 HydrophobicContact CB-CE2 3.71Å; M179-F296 HydrophobicContact CB-CZ 4.24Å; M179-F296 HydrophobicContact CG-CD2 3.86Å; M179-F296 HydrophobicContact CG-CE2 3.92Å; M179-Y427 HydrophobicContact CB-CE1 4.17Å; M179-Y427 PolarHBondContact O-OH 2.84Å; M179-Y427 HydrophobicContact SD-CD1 4.26Å; M179-Y427 HydrophobicContact SD-CE1 4.08Å
180	A	86.9	Confident	87.6	Confident	8 Å²	8	35 Å²	35	7%	0.066	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-33.4	175.4	0	0	0	0	0	112.3	G177 E178 F183 F184 L211	G177-A180 WeakPolarHBondContact O-CB 3.21Å; G177-A180 PolarHBondContact O-N 3.23Å; G177-A180 VanDerWaalsContact O-N 3.07Å; E178-A180 PolarHBondContact O-N 3.34Å; A180-F183 PolarHBondContact O-N 3.25Å; A180-F184 HydrophobicContact CB-CD2 3.89Å; A180-F184 HydrophobicContact CB-CE2 3.89Å; A180-F184 WeakPolarHBondContact O-CD2 3.27Å; A180-F184 PolarHBondContact O-N 3.44Å; A180-L211 HydrophobicContact CB-CB 3.97Å; A180-L211 HydrophobicContact CB-CD1 4.05Å; A180-L211 HydrophobicContact CB-CG 4.49Å
181	I	89.3	Confident	87.2	Confident	66 Å²	66	36.3 Å²	36.3	34%	0.338	18%	0.179	S	C	.	.	H	α-helix	trans	-60.4	-54.5	-174.4	-64.2	166.1	0	0	0	111.6	E178 M179 F183 T185 M208 T212	E178-I181 PolarHBondContact O-N 2.85Å; M179-I181 VanDerWaalsContact C-N 3.28Å; M179-I181 PolarHBondContact O-N 3.37Å; I181-F183 VanDerWaalsContact C-N 3.3Å; I181-F183 PolarHBondContact O-N 3.46Å; I181-T185 VanDerWaalsContact O-CB 3.3Å; I181-T185 WeakPolarHBondContact O-CB 3.35Å; I181-T185 PolarHBondContact O-N 3Å; I181-T185 PolarHBondContact O-OG1 2.9Å; I181-M208 HydrophobicContact CB-CE 4.33Å; I181-M208 HydrophobicContact CG1-CE 4.08Å; I181-M208 HydrophobicContact CG2-CE 3.96Å; I181-T212 HydrophobicContact CD1-CG2 3.64Å; I181-T212 HydrophobicContact CG1-CG2 3.41Å; I181-T212 VanDerWaalsContact CG1-CG2 3.41Å
182	P	90.2	Very high	86.8	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-37	176.5	-26.2	36.4	0	0	0	113.6	M179 G186 S423 L426 Y427	M179-P182 WeakPolarHBondContact O-CD 3.39Å; P182-G186 PolarHBondContact O-N 2.99Å; P182-G186 VanDerWaalsContact O-N 3.13Å; P182-S423 WeakPolarHBondContact O-CB 3.18Å; P182-S423 PolarHBondContact O-OG 3.46Å; P182-L426 HydrophobicContact CB-CB 3.78Å; P182-L426 HydrophobicContact CB-CD1 4.24Å; P182-L426 HydrophobicContact CG-CB 4.12Å; P182-Y427 HydrophobicContact CB-CD1 3.69Å; P182-Y427 HydrophobicContact CB-CD2 4.34Å; P182-Y427 HydrophobicContact CB-CE1 3.47Å; P182-Y427 VanDerWaalsContact CB-CE1 3.47Å; P182-Y427 HydrophobicContact CB-CE2 4.14Å; P182-Y427 HydrophobicContact CB-CG 4.13Å; P182-Y427 HydrophobicContact CG-CD1 3.73Å; P182-Y427 HydrophobicContact CG-CE1 3.61Å
183	F	89.1	Confident	86.3	Confident	56 Å²	56	43.4 Å²	43.4	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-52.8	179.3	-178.4	-100.3	0	0	0	112.3	A180 I181 T185 G186 R187 W299 Y427	A180-F183 PolarHBondContact O-N 3.25Å; I181-F183 VanDerWaalsContact C-N 3.3Å; I181-F183 PolarHBondContact O-N 3.46Å; F183-T185 VanDerWaalsContact C-N 3.3Å; F183-T185 PolarHBondContact O-N 2.78Å; F183-G186 PolarHBondContact O-N 2.79Å; F183-R187 HydrophobicContact CE1-CG 4.26Å; F183-R187 HydrophobicContact CZ-CG 4.42Å; F183-R187 PolarHBondContact O-N 3.01Å; F183-R187 VanDerWaalsContact O-N 3.09Å; F183-W299 HydrophobicContact CE2-CZ3 4.44Å; F183-Y427 WeakPolarHBondContact CB-OH 3.44Å
184	F	89.1	Confident	85.7	Confident	19 Å²	19	45.9 Å²	45.9	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-33.9	179.6	-75.7	-66.2	0	0	0	111.8	A180 G186 R187 I188 N204 L207 M208 L211	A180-F184 HydrophobicContact CB-CD2 3.89Å; A180-F184 HydrophobicContact CB-CE2 3.89Å; A180-F184 WeakPolarHBondContact O-CD2 3.27Å; A180-F184 PolarHBondContact O-N 3.44Å; F184-G186 PolarHBondContact O-N 2.96Å; F184-R187 PolarHBondContact O-N 2.78Å; F184-I188 WeakPolarHBondContact O-CB 3.36Å; F184-I188 VanDerWaalsContact O-CG1 3.24Å; F184-I188 WeakPolarHBondContact O-CG1 3.49Å; F184-I188 PolarHBondContact O-N 2.75Å; F184-N204 HydrophobicContact CD1-CB 4.06Å; F184-N204 HydrophobicContact CE1-CB 4.39Å; F184-L207 HydrophobicContact CE1-CB 4.13Å; F184-L207 HydrophobicContact CE1-CD1 4.47Å; F184-L207 HydrophobicContact CE2-CB 4.42Å; F184-L207 HydrophobicContact CZ-CB 3.78Å; F184-L207 HydrophobicContact CZ-CD1 4.44Å; F184-M208 HydrophobicContact CB-CB 4.09Å; F184-M208 HydrophobicContact CB-CG 4.26Å; F184-M208 HydrophobicContact CB-SD 4.14Å; F184-M208 HydrophobicContact CD2-CB 3.85Å; F184-M208 HydrophobicContact CD2-CG 4.34Å; F184-M208 HydrophobicContact CG-CB 4.01Å; F184-L211 HydrophobicContact CE2-CD1 3.67Å; F184-L211 HydrophobicContact CZ-CD1 4.17Å
185	T	89.1	Confident	84.4	Confident	43 Å²	43	50.6 Å²	50.6	26%	0.264	25%	0.25	S	C	.	.	H	α-helix	trans	-59.4	-46.8	174.6	-57.8	0	0	0	0	111.3	I181 F183 I188 T189 V422 L426	I181-T185 VanDerWaalsContact O-CB 3.3Å; I181-T185 WeakPolarHBondContact O-CB 3.35Å; I181-T185 PolarHBondContact O-N 3Å; I181-T185 PolarHBondContact O-OG1 2.9Å; F183-T185 VanDerWaalsContact C-N 3.3Å; F183-T185 PolarHBondContact O-N 2.78Å; T185-I188 PolarHBondContact O-N 3Å; T185-T189 PolarHBondContact O-N 3.22Å; T185-T189 PolarHBondContact O-OG1 3.47Å; T185-V422 HydrophobicContact CG2-CG1 4.16Å; T185-L426 HydrophobicContact CG2-CD1 3.87Å
186	G	87	Confident	83.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-42.5	176.1	0	0	0	0	0	113	P182 F183 F184 I188 T189 D190 G419 S423	P182-G186 PolarHBondContact O-N 2.99Å; P182-G186 VanDerWaalsContact O-N 3.13Å; F183-G186 PolarHBondContact O-N 2.79Å; F184-G186 PolarHBondContact O-N 2.96Å; G186-I188 VanDerWaalsContact C-N 3.3Å; G186-I188 PolarHBondContact O-N 2.95Å; G186-T189 WeakPolarHBondContact O-CB 3.38Å; G186-T189 PolarHBondContact O-N 2.8Å; G186-T189 VanDerWaalsContact O-N 3.16Å; G186-D190 PolarHBondContact O-N 3.48Å; G186-G419 WeakPolarHBondContact CA-O 3.2Å; G186-G419 WeakPolarHBondContact O-CA 3.26Å; G186-S423 VanDerWaalsContact CA-OG 3.29Å; G186-S423 WeakPolarHBondContact CA-OG 3.3Å; G186-S423 PolarHBondContact N-OG 3.46Å
187	R	85	Confident	82.4	Confident	132 Å²	132	59.9 Å²	59.9	50%	0.498	29%	0.292	S	S	.	.	H	α-helix	trans	-59.1	-39.8	173.8	-83.7	-78.9	172.3	98.3	-3.8	112.6	F183 F184 W191	F183-R187 HydrophobicContact CE1-CG 4.26Å; F183-R187 HydrophobicContact CZ-CG 4.42Å; F183-R187 PolarHBondContact O-N 3.01Å; F183-R187 VanDerWaalsContact O-N 3.09Å; F184-R187 PolarHBondContact O-N 2.78Å; R187-W191 VanDerWaalsContact O-CB 3.29Å; R187-W191 WeakPolarHBondContact O-CB 3.33Å; R187-W191 PolarHBondContact O-N 2.97Å
188	I	86.2	Confident	81.6	Confident	32 Å²	32	63.1 Å²	63.1	16%	0.164	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-41.1	175.7	-71.6	164.6	0	0	0	110.6	F184 T185 G186 W191 I192 F201	F184-I188 WeakPolarHBondContact O-CB 3.36Å; F184-I188 VanDerWaalsContact O-CG1 3.24Å; F184-I188 WeakPolarHBondContact O-CG1 3.49Å; F184-I188 PolarHBondContact O-N 2.75Å; T185-I188 PolarHBondContact O-N 3Å; G186-I188 VanDerWaalsContact C-N 3.3Å; G186-I188 PolarHBondContact O-N 2.95Å; I188-W191 PolarHBondContact O-N 3.27Å; I188-I192 HydrophobicContact CG2-CD1 3.84Å; I188-I192 HydrophobicContact CG2-CG1 4.36Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 PolarHBondContact O-N 3.45Å; I188-F201 HydrophobicContact CG1-CD2 4.5Å; I188-F201 HydrophobicContact CG1-CE2 4.3Å; I188-F201 HydrophobicContact CG2-CD2 4.47Å; I188-F201 HydrophobicContact CG2-CE2 3.85Å
189	T	85.4	Confident	81.1	Confident	37 Å²	37	66.3 Å²	66.3	23%	0.227	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-46.7	175.7	-55	0	0	0	0	112	T185 G186 W191 I192 L193 V422	T185-T189 PolarHBondContact O-N 3.22Å; T185-T189 PolarHBondContact O-OG1 3.47Å; G186-T189 WeakPolarHBondContact O-CB 3.38Å; G186-T189 PolarHBondContact O-N 2.8Å; G186-T189 VanDerWaalsContact O-N 3.16Å; T189-W191 VanDerWaalsContact C-N 3.31Å; T189-W191 PolarHBondContact O-N 2.78Å; T189-I192 PolarHBondContact O-N 3.47Å; T189-L193 HydrophobicContact CG2-CD1 4.03Å; T189-L193 WeakPolarHBondContact O-CD1 3.43Å; T189-L193 WeakPolarHBondContact O-CG 3.2Å; T189-L193 PolarHBondContact O-N 3.23Å; T189-V422 HydrophobicContact CG2-CG2 4.17Å
190	D	83.3	Confident	80.6	Confident	21 Å²	21	68.1 Å²	68.1	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-38.5	176.1	-81	-22.6	0	0	0	111.6	G186 L193 Q194 S417 S418 G419	G186-D190 PolarHBondContact O-N 3.48Å; D190-L193 PolarHBondContact O-N 3.1Å; D190-Q194 WeakPolarHBondContact O-CB 3.48Å; D190-Q194 PolarHBondContact O-N 2.98Å; D190-S417 VanDerWaalsContact OD2-CB 3.3Å; D190-S417 WeakPolarHBondContact OD2-CB 3.34Å; D190-S417 PolarHBondContact OD2-OG 3.18Å; D190-S418 PolarHBondContact OD1-OG 2.93Å; D190-G419 VanDerWaalsContact CG-CA 3.46Å; D190-G419 VanDerWaalsContact CG-N 3.29Å; D190-G419 WeakPolarHBondContact OD1-CA 3.5Å; D190-G419 PolarHBondContact OD1-N 3.28Å; D190-G419 WeakPolarHBondContact OD2-CA 3.3Å; D190-G419 PolarHBondContact OD2-N 2.97Å
191	W	80.9	Confident	80.4	Confident	54 Å²	54	70.8 Å²	70.8	21%	0.205	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-45.8	176.5	-178	84.4	0	0	0	112.5	R187 I188 T189 L193 Q194 D195 T197 F201	R187-W191 VanDerWaalsContact O-CB 3.29Å; R187-W191 WeakPolarHBondContact O-CB 3.33Å; R187-W191 PolarHBondContact O-N 2.97Å; I188-W191 PolarHBondContact O-N 3.27Å; T189-W191 VanDerWaalsContact C-N 3.31Å; T189-W191 PolarHBondContact O-N 2.78Å; W191-L193 PolarHBondContact O-N 3.5Å; W191-Q194 PolarHBondContact O-N 2.84Å; W191-D195 VanDerWaalsContact CE2-O 3.3Å; W191-D195 PolarHBondContact O-N 3.36Å; W191-D195 VanDerWaalsContact O-O 3.05Å; W191-T197 WeakPolarHBondContact CZ2-O 3.46Å; W191-T197 PolarHBondContact NE1-O 3Å; W191-F201 HydrophobicContact CD2-CB 4.21Å; W191-F201 HydrophobicContact CD2-CD2 4.21Å; W191-F201 HydrophobicContact CE3-CB 4.23Å; W191-F201 AromaticContact CE3-CD2 3.56Å; W191-F201 HydrophobicContact CE3-CD2 3.56Å; W191-F201 HydrophobicContact CE3-CE2 4.35Å; W191-F201 HydrophobicContact CE3-CG 4.24Å; W191-F201 HydrophobicContact CH2-CB 3.78Å; W191-F201 HydrophobicContact CH2-CD2 4.15Å; W191-F201 HydrophobicContact CH2-CG 4.06Å; W191-F201 HydrophobicContact CZ2-CB 3.75Å; W191-F201 HydrophobicContact CZ2-CG 4.5Å; W191-F201 HydrophobicContact CZ3-CB 4.02Å; W191-F201 AromaticContact CZ3-CD2 3.52Å; W191-F201 HydrophobicContact CZ3-CD2 3.52Å; W191-F201 HydrophobicContact CZ3-CE2 4.22Å; W191-F201 AromaticContact CZ3-CG 3.91Å; W191-F201 HydrophobicContact CZ3-CG 3.91Å
192	I	81.1	Confident	80.1	Confident	119 Å²	119	69.4 Å²	69.4	61%	0.61	36%	0.363	S	S	*	.	H	α-helix	trans	-58.1	-33.7	176.2	-69.5	167.2	0	0	0	111.4	I188 T189	I188-I192 HydrophobicContact CG2-CD1 3.84Å; I188-I192 HydrophobicContact CG2-CG1 4.36Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 PolarHBondContact O-N 3.45Å; T189-I192 PolarHBondContact O-N 3.47Å
193	L	77.9	Confident	79.8	Confident	112 Å²	112	76.8 Å²	76.8	59%	0.586	39%	0.391	S	S	*	.	H	α-helix	trans	-85.4	-26.2	-177.2	-69.2	166.9	0	0	0	113.7	T189 D190 W191 S418	T189-L193 HydrophobicContact CG2-CD1 4.03Å; T189-L193 WeakPolarHBondContact O-CD1 3.43Å; T189-L193 WeakPolarHBondContact O-CG 3.2Å; T189-L193 PolarHBondContact O-N 3.23Å; D190-L193 PolarHBondContact O-N 3.1Å; W191-L193 PolarHBondContact O-N 3.5Å; L193-S418 WeakPolarHBondContact CD1-OG 3.45Å
194	Q	74.9	Confident	79.6	Confident	145 Å²	145	75.3 Å²	75.3	68%	0.678	39%	0.385	S	S	*	.	H	α-helix	trans	-121.1	-26.6	-170.2	-64.3	-176.1	-2.3	0	0	116.1	D190 W191	D190-Q194 WeakPolarHBondContact O-CB 3.48Å; D190-Q194 PolarHBondContact O-N 2.98Å; W191-Q194 PolarHBondContact O-N 2.84Å
195	D	64.9	Low	79.5	Confident	99 Å²	99	78.4 Å²	78.4	53%	0.529	40%	0.401	S	S	.	.			trans	-139.7	134.3	-168.6	-95.9	-33.1	0	0	0	114.9	W191	W191-D195 VanDerWaalsContact CE2-O 3.3Å; W191-D195 PolarHBondContact O-N 3.36Å; W191-D195 VanDerWaalsContact O-O 3.05Å
196	K	62.6	Low	79.5	Confident	211 Å²	211	84.5 Å²	84.5	92%	0.917	42%	0.419	S	S	*	.			trans	-98.1	23.6	-178.8	-66	-174.9	178.6	179.5	0	115.1
197	T	68.8	Low	79.5	Confident	66 Å²	66	88 Å²	88	41%	0.405	44%	0.438	S	S	.	.			trans	-96.7	104.3	-173.5	53.1	0	0	0	0	114.1	W191 S200	W191-T197 WeakPolarHBondContact CZ2-O 3.46Å; W191-T197 PolarHBondContact NE1-O 3Å; T197-S200 PolarHBondContact O-N 3.25Å
198	A	70.6	Confident	79.6	Confident	73 Å²	73	84 Å²	84	60%	0.603	43%	0.425	S	S	*	.	H	α-helix	trans	-51.7	-37.8	-178.4	0	0	0	0	0	117.4	S200 F201 A202	A198-S200 PolarHBondContact O-N 3.45Å; A198-F201 PolarHBondContact O-N 3.16Å; A198-A202 PolarHBondContact O-N 2.86Å
199	P	75.7	Confident	79.8	Confident	98 Å²	98	84.9 Å²	84.9	64%	0.636	43%	0.434	S	S	*	.	H	α-helix	trans	-71.8	-30.7	-173.9	25.1	-33.3	0	0	0	114	R203	P199-R203 PolarHBondContact O-N 3.07Å; P199-R203 VanDerWaalsContact O-N 3.14Å
200	S	75.8	Confident	80.1	Confident	38 Å²	38	88 Å²	88	27%	0.266	45%	0.448	S	S	.	.	H	α-helix	trans	-70.5	-35.2	178.2	-68.8	0	0	0	0	112.2	T197 A198 N204	T197-S200 PolarHBondContact O-N 3.25Å; A198-S200 PolarHBondContact O-N 3.45Å; S200-N204 PolarHBondContact O-N 3.19Å; S200-N204 VanDerWaalsContact O-N 3.14Å; S200-N204 PolarHBondContact O-ND2 3.4Å
201	F	80.8	Confident	80.5	Confident	64 Å²	64	90.1 Å²	90.1	28%	0.281	46%	0.459	S	S	.	.	H	α-helix	trans	-64.4	-50.6	174.5	178.8	-95.8	0	0	0	111.4	I188 W191 A198 R203 N204 M205	I188-F201 HydrophobicContact CG1-CD2 4.5Å; I188-F201 HydrophobicContact CG1-CE2 4.3Å; I188-F201 HydrophobicContact CG2-CD2 4.47Å; I188-F201 HydrophobicContact CG2-CE2 3.85Å; W191-F201 HydrophobicContact CD2-CB 4.21Å; W191-F201 HydrophobicContact CD2-CD2 4.21Å; W191-F201 HydrophobicContact CE3-CB 4.23Å; W191-F201 AromaticContact CE3-CD2 3.56Å; W191-F201 HydrophobicContact CE3-CD2 3.56Å; W191-F201 HydrophobicContact CE3-CE2 4.35Å; W191-F201 HydrophobicContact CE3-CG 4.24Å; W191-F201 HydrophobicContact CH2-CB 3.78Å; W191-F201 HydrophobicContact CH2-CD2 4.15Å; W191-F201 HydrophobicContact CH2-CG 4.06Å; W191-F201 HydrophobicContact CZ2-CB 3.75Å; W191-F201 HydrophobicContact CZ2-CG 4.5Å; W191-F201 HydrophobicContact CZ3-CB 4.02Å; W191-F201 AromaticContact CZ3-CD2 3.52Å; W191-F201 HydrophobicContact CZ3-CD2 3.52Å; W191-F201 HydrophobicContact CZ3-CE2 4.22Å; W191-F201 AromaticContact CZ3-CG 3.91Å; W191-F201 HydrophobicContact CZ3-CG 3.91Å; A198-F201 PolarHBondContact O-N 3.16Å; F201-R203 VanDerWaalsContact C-N 3.31Å; F201-R203 PolarHBondContact O-N 3.39Å; F201-N204 PolarHBondContact O-N 2.99Å; F201-M205 HydrophobicContact CE1-CE 4.22Å; F201-M205 HydrophobicContact CE1-SD 3.99Å; F201-M205 HydrophobicContact CZ-SD 4.27Å; F201-M205 WeakPolarHBondContact O-CB 3.37Å; F201-M205 PolarHBondContact O-N 2.91Å
202	A	83.8	Confident	80.9	Confident	37 Å²	37	89 Å²	89	31%	0.306	46%	0.458	S	S	.	.	H	α-helix	trans	-58.2	-42.9	178.2	0	0	0	0	0	111.8	A198 M205 W206	A198-A202 PolarHBondContact O-N 2.86Å; A202-M205 PolarHBondContact O-N 3.08Å; A202-W206 WeakPolarHBondContact O-CB 3.09Å; A202-W206 PolarHBondContact O-N 2.9Å
203	R	84.4	Confident	81.5	Confident	157 Å²	157	88.5 Å²	88.5	59%	0.592	46%	0.456	S	S	*	.	H	α-helix	trans	-61.6	-46.2	177.1	-175.6	177.9	64.4	-165.1	-3.4	112.7	P199 F201 M205 W206 L207	P199-R203 PolarHBondContact O-N 3.07Å; P199-R203 VanDerWaalsContact O-N 3.14Å; F201-R203 VanDerWaalsContact C-N 3.31Å; F201-R203 PolarHBondContact O-N 3.39Å; R203-M205 VanDerWaalsContact C-N 3.33Å; R203-W206 PolarHBondContact O-N 3.31Å; R203-L207 HydrophobicContact CG-CD1 4.17Å; R203-L207 WeakPolarHBondContact O-CB 3.45Å; R203-L207 VanDerWaalsContact O-CG 3.31Å; R203-L207 WeakPolarHBondContact O-CG 3.47Å; R203-L207 PolarHBondContact O-N 3.15Å
204	N	85	Confident	82.2	Confident	24 Å²	24	85.3 Å²	85.3	13%	0.128	45%	0.446	C	S	.	.	H	α-helix	trans	-65.6	-38	179.2	-71.9	-23.1	0	0	0	111.9	F184 S200 F201 M208	F184-N204 HydrophobicContact CD1-CB 4.06Å; F184-N204 HydrophobicContact CE1-CB 4.39Å; S200-N204 PolarHBondContact O-N 3.19Å; S200-N204 VanDerWaalsContact O-N 3.14Å; S200-N204 PolarHBondContact O-ND2 3.4Å; F201-N204 PolarHBondContact O-N 2.99Å; N204-M208 WeakPolarHBondContact O-CB 3.42Å; N204-M208 PolarHBondContact O-N 3.49Å
205	M	85.8	Confident	83	Confident	85 Å²	85	78.7 Å²	78.7	42%	0.419	42%	0.415	S	S	.	.	H	α-helix	trans	-67.1	-42.9	176.2	-168.8	169.9	66.1	0	0	111.8	F201 A202 R203 M208 C209	F201-M205 HydrophobicContact CE1-CE 4.22Å; F201-M205 HydrophobicContact CE1-SD 3.99Å; F201-M205 HydrophobicContact CZ-SD 4.27Å; F201-M205 WeakPolarHBondContact O-CB 3.37Å; F201-M205 PolarHBondContact O-N 2.91Å; A202-M205 PolarHBondContact O-N 3.08Å; R203-M205 VanDerWaalsContact C-N 3.33Å; M205-M208 WeakPolarHBondContact O-CB 3.35Å; M205-M208 PolarHBondContact O-N 2.86Å; M205-C209 PolarHBondContact O-N 2.84Å; M205-C209 PolarHBondContact O-SG 3.32Å; M205-C209 VanDerWaalsContact O-SG 3.32Å
206	W	89.1	Confident	84.3	Confident	170 Å²	170	77.7 Å²	77.7	64%	0.644	41%	0.413	S	S	*	.	H	α-helix	trans	-63.3	-43.3	174.1	-85	113.2	0	0	0	112.7	A202 R203 M208 C209 I210	A202-W206 WeakPolarHBondContact O-CB 3.09Å; A202-W206 PolarHBondContact O-N 2.9Å; R203-W206 PolarHBondContact O-N 3.31Å; W206-M208 VanDerWaalsContact C-N 3.34Å; W206-M208 PolarHBondContact O-N 3.2Å; W206-C209 PolarHBondContact O-N 3.38Å; W206-I210 VanDerWaalsContact O-CG1 3.27Å; W206-I210 WeakPolarHBondContact O-CG1 3.5Å; W206-I210 PolarHBondContact O-N 3.46Å
207	L	88.2	Confident	85.8	Confident	75 Å²	75	71.9 Å²	71.9	39%	0.393	40%	0.395	S	S	.	.	H	α-helix	trans	-61.9	-43	175.8	-73.7	172.6	0	0	0	111.5	F184 R203 I210 L211	F184-L207 HydrophobicContact CE1-CB 4.13Å; F184-L207 HydrophobicContact CE1-CD1 4.47Å; F184-L207 HydrophobicContact CE2-CB 4.42Å; F184-L207 HydrophobicContact CZ-CB 3.78Å; F184-L207 HydrophobicContact CZ-CD1 4.44Å; R203-L207 HydrophobicContact CG-CD1 4.17Å; R203-L207 WeakPolarHBondContact O-CB 3.45Å; R203-L207 VanDerWaalsContact O-CG 3.31Å; R203-L207 WeakPolarHBondContact O-CG 3.47Å; R203-L207 PolarHBondContact O-N 3.15Å; L207-I210 PolarHBondContact O-N 3.39Å; L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 WeakPolarHBondContact O-CD1 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 2.7Å
208	M	87.6	Confident	87	Confident	46 Å²	46	70.7 Å²	70.7	23%	0.227	39%	0.386	C	S	.	.	H	α-helix	trans	-57.4	-51.6	173.8	-179.8	-178.1	167.1	0	0	110.9	I181 F184 N204 M205 W206 I210 L211 T212	I181-M208 HydrophobicContact CB-CE 4.33Å; I181-M208 HydrophobicContact CG1-CE 4.08Å; I181-M208 HydrophobicContact CG2-CE 3.96Å; F184-M208 HydrophobicContact CB-CB 4.09Å; F184-M208 HydrophobicContact CB-CG 4.26Å; F184-M208 HydrophobicContact CB-SD 4.14Å; F184-M208 HydrophobicContact CD2-CB 3.85Å; F184-M208 HydrophobicContact CD2-CG 4.34Å; F184-M208 HydrophobicContact CG-CB 4.01Å; N204-M208 WeakPolarHBondContact O-CB 3.42Å; N204-M208 PolarHBondContact O-N 3.49Å; M205-M208 WeakPolarHBondContact O-CB 3.35Å; M205-M208 PolarHBondContact O-N 2.86Å; W206-M208 VanDerWaalsContact C-N 3.34Å; W206-M208 PolarHBondContact O-N 3.2Å; M208-I210 PolarHBondContact O-N 3.1Å; M208-L211 PolarHBondContact O-N 3.41Å; M208-T212 WeakPolarHBondContact O-CG2 3.35Å; M208-T212 PolarHBondContact O-N 3.42Å; M208-T212 PolarHBondContact O-OG1 3.32Å; M208-T212 VanDerWaalsContact O-OG1 3.08Å
209	C	89.8	Confident	88	Confident	52 Å²	52	69.3 Å²	69.3	35%	0.351	37%	0.367	S	S	.	.	H	α-helix	trans	-59.7	-45	179.3	-69.9	0	0	0	0	112.8	M205 W206 T212 I213	M205-C209 PolarHBondContact O-N 2.84Å; M205-C209 PolarHBondContact O-SG 3.32Å; M205-C209 VanDerWaalsContact O-SG 3.32Å; W206-C209 PolarHBondContact O-N 3.38Å; C209-T212 WeakPolarHBondContact CA-OG1 3.43Å; C209-T212 PolarHBondContact O-N 3.07Å; C209-T212 PolarHBondContact O-OG1 3.15Å; C209-I213 WeakPolarHBondContact O-CB 3.19Å; C209-I213 WeakPolarHBondContact O-CD1 3.42Å; C209-I213 VanDerWaalsContact O-CG1 3.23Å; C209-I213 WeakPolarHBondContact O-CG1 3.43Å; C209-I213 PolarHBondContact O-N 3Å
210	I	92	Very high	88.8	Confident	101 Å²	101	72.7 Å²	72.7	52%	0.518	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-45.2	179.6	-68.4	165.3	0	0	0	110.4	W206 L207 M208 I213 A214	W206-I210 VanDerWaalsContact O-CG1 3.27Å; W206-I210 WeakPolarHBondContact O-CG1 3.5Å; W206-I210 PolarHBondContact O-N 3.46Å; L207-I210 PolarHBondContact O-N 3.39Å; M208-I210 PolarHBondContact O-N 3.1Å; I210-I213 PolarHBondContact O-N 3.41Å; I210-A214 WeakPolarHBondContact O-CB 3.17Å; I210-A214 PolarHBondContact O-N 2.85Å
211	L	91.2	Very high	89.6	Confident	67 Å²	67	72.8 Å²	72.8	35%	0.351	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-38.5	179.2	-82.9	155	0	0	0	112.4	A180 F184 L207 M208 S215	A180-L211 HydrophobicContact CB-CB 3.97Å; A180-L211 HydrophobicContact CB-CD1 4.05Å; A180-L211 HydrophobicContact CB-CG 4.49Å; F184-L211 HydrophobicContact CE2-CD1 3.67Å; F184-L211 HydrophobicContact CZ-CD1 4.17Å; L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 WeakPolarHBondContact O-CD1 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 2.7Å; M208-L211 PolarHBondContact O-N 3.41Å; L211-S215 WeakPolarHBondContact O-CB 3.34Å; L211-S215 PolarHBondContact O-N 2.92Å; L211-S215 PolarHBondContact O-OG 3.11Å
212	T	89.6	Confident	90.2	Very high	30 Å²	30	69.9 Å²	69.9	18%	0.184	36%	0.363	C	S	.	.	H	α-helix	trans	-72.8	-36	177.8	53.8	0	0	0	0	112.9	I181 M208 C209 S215 T216	I181-T212 HydrophobicContact CD1-CG2 3.64Å; I181-T212 HydrophobicContact CG1-CG2 3.41Å; I181-T212 VanDerWaalsContact CG1-CG2 3.41Å; M208-T212 WeakPolarHBondContact O-CG2 3.35Å; M208-T212 PolarHBondContact O-N 3.42Å; M208-T212 PolarHBondContact O-OG1 3.32Å; M208-T212 VanDerWaalsContact O-OG1 3.08Å; C209-T212 WeakPolarHBondContact CA-OG1 3.43Å; C209-T212 PolarHBondContact O-N 3.07Å; C209-T212 PolarHBondContact O-OG1 3.15Å; T212-S215 WeakPolarHBondContact CA-OG 3.36Å; T212-S215 PolarHBondContact O-OG 3.09Å; T212-T216 WeakPolarHBondContact O-CG2 3.2Å; T212-T216 PolarHBondContact O-N 3.45Å; T212-T216 VanDerWaalsContact O-N 3.09Å; T212-T216 PolarHBondContact O-OG1 2.92Å
213	I	93.1	Very high	90.5	Very high	108 Å²	108	71 Å²	71	55%	0.554	36%	0.364	S	S	*	.	H	α-helix	trans	-70.5	-41.5	174.8	-67.1	166.2	0	0	0	109.5	C209 I210 S215 T216 V217	C209-I213 WeakPolarHBondContact O-CB 3.19Å; C209-I213 WeakPolarHBondContact O-CD1 3.42Å; C209-I213 VanDerWaalsContact O-CG1 3.23Å; C209-I213 WeakPolarHBondContact O-CG1 3.43Å; C209-I213 PolarHBondContact O-N 3Å; I210-I213 PolarHBondContact O-N 3.41Å; I213-S215 VanDerWaalsContact C-N 3.35Å; I213-S215 PolarHBondContact O-N 3.37Å; I213-T216 PolarHBondContact O-N 3.01Å; I213-T216 PolarHBondContact O-OG1 3.1Å; I213-V217 VanDerWaalsContact O-CG2 3.28Å; I213-V217 WeakPolarHBondContact O-CG2 3.27Å; I213-V217 PolarHBondContact O-N 3.13Å; I213-V217 VanDerWaalsContact O-N 3.1Å
214	A	92.8	Very high	90.9	Very high	46 Å²	46	65 Å²	65	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-41.9	176.1	0	0	0	0	0	111.5	I210 L218	I210-A214 WeakPolarHBondContact O-CB 3.17Å; I210-A214 PolarHBondContact O-N 2.85Å; A214-L218 VanDerWaalsContact O-CG 3.24Å; A214-L218 WeakPolarHBondContact O-CG 3.23Å; A214-L218 PolarHBondContact O-N 3.04Å; A214-L218 VanDerWaalsContact O-N 3.08Å
215	S	92.2	Very high	91.2	Very high	5 Å²	5	66 Å²	66	4%	0.035	36%	0.356	C	S	.	.	H	α-helix	trans	-61.1	-55.1	176.3	70.7	0	0	0	0	110.2	S174 L211 T212 I213 V217 L218 E219	S174-S215 WeakPolarHBondContact OG-CB 3.41Å; S174-S215 PolarHBondContact OG-O 2.8Å; S174-S215 VanDerWaalsContact OG-O 3.13Å; L211-S215 WeakPolarHBondContact O-CB 3.34Å; L211-S215 PolarHBondContact O-N 2.92Å; L211-S215 PolarHBondContact O-OG 3.11Å; T212-S215 WeakPolarHBondContact CA-OG 3.36Å; T212-S215 PolarHBondContact O-OG 3.09Å; I213-S215 VanDerWaalsContact C-N 3.35Å; I213-S215 PolarHBondContact O-N 3.37Å; S215-V217 VanDerWaalsContact C-N 3.26Å; S215-V217 PolarHBondContact O-N 2.99Å; S215-V217 VanDerWaalsContact O-N 3.15Å; S215-L218 CarbonylContact O-C 3.47Å; S215-L218 WeakPolarHBondContact O-CA 3.03Å; S215-L218 WeakPolarHBondContact O-CB 3.21Å; S215-L218 PolarHBondContact O-N 2.83Å; S215-E219 VanDerWaalsContact O-CG 3.26Å; S215-E219 WeakPolarHBondContact O-CG 3.27Å; S215-E219 PolarHBondContact O-N 2.66Å
216	T	91.6	Very high	91.5	Very high	79 Å²	79	62 Å²	62	49%	0.485	34%	0.336	S	S	.	.	H	α-helix	trans	-57.8	-35.5	-177.9	55.1	0	0	0	0	113.6	T212 I213 E219 F220	T212-T216 WeakPolarHBondContact O-CG2 3.2Å; T212-T216 PolarHBondContact O-N 3.45Å; T212-T216 VanDerWaalsContact O-N 3.09Å; T212-T216 PolarHBondContact O-OG1 2.92Å; I213-T216 PolarHBondContact O-N 3.01Å; I213-T216 PolarHBondContact O-OG1 3.1Å; T216-E219 PolarHBondContact O-N 3.13Å; T216-F220 WeakPolarHBondContact O-CB 3.32Å; T216-F220 PolarHBondContact O-N 3.22Å
217	V	94.6	Very high	91.6	Very high	88 Å²	88	57.4 Å²	57.4	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-41.5	173.5	172.2	0	0	0	0	111.7	I213 S215 E219 F220 A221	I213-V217 VanDerWaalsContact O-CG2 3.28Å; I213-V217 WeakPolarHBondContact O-CG2 3.27Å; I213-V217 PolarHBondContact O-N 3.13Å; I213-V217 VanDerWaalsContact O-N 3.1Å; S215-V217 VanDerWaalsContact C-N 3.26Å; S215-V217 PolarHBondContact O-N 2.99Å; S215-V217 VanDerWaalsContact O-N 3.15Å; V217-E219 VanDerWaalsContact C-N 3.35Å; V217-F220 PolarHBondContact O-N 2.99Å; V217-A221 WeakPolarHBondContact O-CB 3.31Å; V217-A221 PolarHBondContact O-N 2.92Å
218	L	92.9	Very high	91.7	Very high	41 Å²	41	58.4 Å²	58.4	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-36.8	174.8	-68.1	168.5	0	0	0	111.8	L170 L173 A214 S215 G222	L170-L218 HydrophobicContact CD2-CD2 3.66Å; L173-L218 HydrophobicContact CB-CD1 4.23Å; L173-L218 HydrophobicContact CD2-CD1 3.66Å; L173-L218 HydrophobicContact CD2-CD2 4.19Å; L173-L218 HydrophobicContact CG-CD1 3.68Å; A214-L218 VanDerWaalsContact O-CG 3.24Å; A214-L218 WeakPolarHBondContact O-CG 3.23Å; A214-L218 PolarHBondContact O-N 3.04Å; A214-L218 VanDerWaalsContact O-N 3.08Å; S215-L218 CarbonylContact O-C 3.47Å; S215-L218 WeakPolarHBondContact O-CA 3.03Å; S215-L218 WeakPolarHBondContact O-CB 3.21Å; S215-L218 PolarHBondContact O-N 2.83Å; L218-G222 PolarHBondContact O-N 3.31Å
219	E	91.2	Very high	91.8	Very high	45 Å²	45	56.3 Å²	56.3	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-49.8	174	-54	-163.5	156.5	0	0	111	S174 E178 S215 T216 V217 A221 G222 D223 W285	S174-E219 WeakPolarHBondContact OG-CG 3.05Å; S174-E219 PolarHBondContact OG-OE1 2.89Å; E178-E219 VanDerWaalsContact CG-OE1 3.24Å; E178-E219 WeakPolarHBondContact CG-OE1 3.17Å; S215-E219 VanDerWaalsContact O-CG 3.26Å; S215-E219 WeakPolarHBondContact O-CG 3.27Å; S215-E219 PolarHBondContact O-N 2.66Å; T216-E219 PolarHBondContact O-N 3.13Å; V217-E219 VanDerWaalsContact C-N 3.35Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 2.78Å; E219-G222 PolarHBondContact O-N 3.14Å; E219-D223 VanDerWaalsContact O-CB 3.28Å; E219-D223 WeakPolarHBondContact O-CB 3.49Å; E219-D223 PolarHBondContact O-N 3.28Å; E219-W285 HydrophobicContact CB-CH2 3.61Å; E219-W285 HydrophobicContact CB-CZ2 4.35Å; E219-W285 HydrophobicContact CB-CZ3 4.46Å; E219-W285 HydrophobicContact CG-CH2 3.52Å; E219-W285 HydrophobicContact CG-CZ3 3.96Å
220	F	93.4	Very high	91.8	Very high	168 Å²	168	54.3 Å²	54.3	74%	0.737	30%	0.304	S	S	*	.	H	α-helix	trans	-59	-44.2	178.6	-179.6	-99.6	0	0	0	111.6	T216 V217 G224	T216-F220 WeakPolarHBondContact O-CB 3.32Å; T216-F220 PolarHBondContact O-N 3.22Å; V217-F220 PolarHBondContact O-N 2.99Å; F220-G224 PolarHBondContact O-N 3.06Å
221	A	93.7	Very high	91.6	Very high	41 Å²	41	51.1 Å²	51.1	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-45.3	176.1	0	0	0	0	0	112.1	V217 E219 G224 I225	V217-A221 WeakPolarHBondContact O-CB 3.31Å; V217-A221 PolarHBondContact O-N 2.92Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 2.78Å; A221-G224 PolarHBondContact O-N 2.81Å; A221-I225 WeakPolarHBondContact O-CG1 2.84Å; A221-I225 PolarHBondContact O-N 3.26Å
222	G	91.9	Very high	91.4	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-46.5	178.9	0	0	0	0	0	112.5	L218 E219 I225 Y226	L218-G222 PolarHBondContact O-N 3.31Å; E219-G222 PolarHBondContact O-N 3.14Å; G222-I225 PolarHBondContact O-N 3.2Å; G222-Y226 WeakPolarHBondContact O-CB 3.37Å; G222-Y226 PolarHBondContact O-N 3.11Å
223	D	91.4	Very high	91.2	Very high	60 Å²	60	51.8 Å²	51.8	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-67.7	-39.7	178.7	-167.2	61.6	0	0	0	111.6	E219 I225 Y226 N227 N281	E219-D223 VanDerWaalsContact O-CB 3.28Å; E219-D223 WeakPolarHBondContact O-CB 3.49Å; E219-D223 PolarHBondContact O-N 3.28Å; D223-I225 PolarHBondContact O-N 3.38Å; D223-Y226 PolarHBondContact O-N 3.17Å; D223-N227 VanDerWaalsContact CG-ND2 3.28Å; D223-N227 WeakPolarHBondContact O-CB 3.19Å; D223-N227 PolarHBondContact O-N 3.25Å; D223-N227 PolarHBondContact O-ND2 3.07Å; D223-N227 PolarHBondContact OD1-ND2 3.48Å; D223-N227 PolarHBondContact OD2-ND2 3.42Å; D223-N281 PolarHBondContact OD1-ND2 2.93Å; D223-N281 VanDerWaalsContact OD1-ND2 3.11Å
224	G	91.6	Very high	91	Very high	31 Å²	31	49.4 Å²	49.4	32%	0.32	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-46.9	172.3	0	0	0	0	0	112.7	F220 A221 Y226 I228	F220-G224 PolarHBondContact O-N 3.06Å; A221-G224 PolarHBondContact O-N 2.81Å; G224-Y226 VanDerWaalsContact C-N 3.33Å; G224-Y226 PolarHBondContact O-N 3.45Å; G224-I228 WeakPolarHBondContact O-CB 3.39Å; G224-I228 WeakPolarHBondContact O-CD1 3.24Å; G224-I228 VanDerWaalsContact O-CG1 3.23Å; G224-I228 WeakPolarHBondContact O-CG1 3.29Å; G224-I228 PolarHBondContact O-N 3Å
225	I	91.9	Very high	90.8	Very high	45 Å²	45	51.1 Å²	51.1	23%	0.231	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-38.7	177.3	-64.8	168	0	0	0	111	R163 L166 V167 L170 A221 G222 D223 T229	R163-I225 HydrophobicContact CB-CG2 4.3Å; L166-I225 HydrophobicContact CD2-CD1 3.89Å; V167-I225 HydrophobicContact CG2-CB 4Å; V167-I225 HydrophobicContact CG2-CG2 3.67Å; L170-I225 HydrophobicContact CD1-CD1 3.9Å; A221-I225 WeakPolarHBondContact O-CG1 2.84Å; A221-I225 PolarHBondContact O-N 3.26Å; G222-I225 PolarHBondContact O-N 3.2Å; D223-I225 PolarHBondContact O-N 3.38Å; I225-T229 VanDerWaalsContact O-CB 3.3Å; I225-T229 WeakPolarHBondContact O-CB 3.33Å; I225-T229 PolarHBondContact O-N 2.73Å; I225-T229 PolarHBondContact O-OG1 2.62Å
226	Y	91.7	Very high	90.6	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-54.9	176.5	-178.2	-93.2	0	0	0	111.3	V167 G222 D223 G224 I228 T229 M230 S277 N281	V167-Y226 HydrophobicContact CG1-CD2 4.26Å; G222-Y226 WeakPolarHBondContact O-CB 3.37Å; G222-Y226 PolarHBondContact O-N 3.11Å; D223-Y226 PolarHBondContact O-N 3.17Å; G224-Y226 VanDerWaalsContact C-N 3.33Å; G224-Y226 PolarHBondContact O-N 3.45Å; Y226-I228 PolarHBondContact O-N 3.33Å; Y226-T229 WeakPolarHBondContact O-CB 3.41Å; Y226-T229 PolarHBondContact O-N 3.16Å; Y226-M230 HydrophobicContact CE1-CB 4.38Å; Y226-M230 HydrophobicContact CE1-CG 4.47Å; Y226-M230 WeakPolarHBondContact O-CB 3.38Å; Y226-M230 PolarHBondContact O-N 3.35Å; Y226-S277 PolarHBondContact OH-O 3.2Å; Y226-N281 HydrophobicContact CD1-CB 4.09Å; Y226-N281 HydrophobicContact CE1-CB 3.44Å; Y226-N281 VanDerWaalsContact CE1-CB 3.44Å; Y226-N281 HydrophobicContact CE2-CB 4.39Å; Y226-N281 PolarHBondContact OH-N 3.41Å
227	N	91.1	Very high	90.4	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-40.7	-178.6	-75.7	-51.9	0	0	0	112.3	D223 T229 M230 G231	D223-N227 VanDerWaalsContact CG-ND2 3.28Å; D223-N227 WeakPolarHBondContact O-CB 3.19Å; D223-N227 PolarHBondContact O-N 3.25Å; D223-N227 PolarHBondContact O-ND2 3.07Å; D223-N227 PolarHBondContact OD1-ND2 3.48Å; D223-N227 PolarHBondContact OD2-ND2 3.42Å; N227-T229 VanDerWaalsContact C-N 3.34Å; N227-T229 PolarHBondContact O-N 3.31Å; N227-M230 PolarHBondContact O-N 3.07Å; N227-G231 PolarHBondContact O-N 3.43Å
228	I	90.5	Very high	90	Very high	96 Å²	96	50.6 Å²	50.6	49%	0.492	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-43.7	173.3	-68.9	166.3	0	0	0	110.7	G224 Y226 M230 H232	G224-I228 WeakPolarHBondContact O-CB 3.39Å; G224-I228 WeakPolarHBondContact O-CD1 3.24Å; G224-I228 VanDerWaalsContact O-CG1 3.23Å; G224-I228 WeakPolarHBondContact O-CG1 3.29Å; G224-I228 PolarHBondContact O-N 3Å; Y226-I228 PolarHBondContact O-N 3.33Å; I228-M230 VanDerWaalsContact C-N 3.33Å; I228-M230 PolarHBondContact O-N 2.91Å; I228-H232 PolarHBondContact O-CD2 2.92Å; I228-H232 PolarHBondContact O-N 3.44Å
229	T	90	Very high	89.9	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-39.9	-179.1	-59.4	0	0	0	0	111.2	L157 I225 Y226 N227 H232 M233	L157-T229 HydrophobicContact CD2-CG2 3.48Å; L157-T229 VanDerWaalsContact CD2-CG2 3.48Å; I225-T229 VanDerWaalsContact O-CB 3.3Å; I225-T229 WeakPolarHBondContact O-CB 3.33Å; I225-T229 PolarHBondContact O-N 2.73Å; I225-T229 PolarHBondContact O-OG1 2.62Å; Y226-T229 WeakPolarHBondContact O-CB 3.41Å; Y226-T229 PolarHBondContact O-N 3.16Å; N227-T229 VanDerWaalsContact C-N 3.34Å; N227-T229 PolarHBondContact O-N 3.31Å; T229-H232 PolarHBondContact O-N 2.86Å; T229-M233 PolarHBondContact O-N 3.05Å
230	M	88.4	Confident	89.8	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-76.1	-33.3	-179.5	-150.9	51.4	164.2	0	0	112.9	L157 Y226 N227 I228 H232 M233 H234 S277 L280	L157-M230 HydrophobicContact CD1-SD 4.46Å; Y226-M230 HydrophobicContact CE1-CB 4.38Å; Y226-M230 HydrophobicContact CE1-CG 4.47Å; Y226-M230 WeakPolarHBondContact O-CB 3.38Å; Y226-M230 PolarHBondContact O-N 3.35Å; N227-M230 PolarHBondContact O-N 3.07Å; I228-M230 VanDerWaalsContact C-N 3.33Å; I228-M230 PolarHBondContact O-N 2.91Å; M230-H232 VanDerWaalsContact C-N 3.32Å; M230-H232 PolarHBondContact O-N 3.46Å; M230-M233 HydrophobicContact CE-CE 3.25Å; M230-M233 HydrophobicContact CE-SD 3.75Å; M230-M233 HydrophobicContact CG-CE 4.42Å; M230-M233 WeakPolarHBondContact O-CB 3.1Å; M230-M233 PolarHBondContact O-N 3.48Å; M230-M233 VanDerWaalsContact O-N 3.11Å; M230-M233 HydrophobicContact SD-CB 4.14Å; M230-M233 HydrophobicContact SD-CE 3.44Å; M230-M233 WeakPolarHBondContact SD-CE 3.39Å; M230-M233 HydrophobicContact SD-CG 4.5Å; M230-M233 HydrophobicContact SD-SD 3.57Å; M230-H234 PolarHBondContact O-N 3.32Å; M230-S277 WeakPolarHBondContact CG-OG 3.21Å; M230-L280 HydrophobicContact CE-CD2 4.45Å
231	G	88.9	Confident	89.6	Confident	35 Å²	35	44.3 Å²	44.3	36%	0.361	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-39.3	170.9	0	0	0	0	0	112.7	N227 H234 S235	N227-G231 PolarHBondContact O-N 3.43Å; G231-H234 PolarHBondContact O-N 3.37Å; G231-S235 PolarHBondContact O-N 3.35Å; G231-S235 PolarHBondContact O-OG 3.1Å
232	H	87	Confident	89.5	Confident	104 Å²	104	47.9 Å²	47.9	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-38.2	172.7	-79	-124.2	0	0	0	112.6	K160 I228 T229 M230 R236	K160-H232 PolarHBondContact NZ-CE1 3.35Å; K160-H232 PolarHBondContact NZ-ND1 3.26Å; I228-H232 PolarHBondContact O-CD2 2.92Å; I228-H232 PolarHBondContact O-N 3.44Å; T229-H232 PolarHBondContact O-N 2.86Å; M230-H232 VanDerWaalsContact C-N 3.32Å; M230-H232 PolarHBondContact O-N 3.46Å; H232-R236 WeakPolarHBondContact O-CB 3.49Å; H232-R236 PolarHBondContact O-N 3.02Å; H232-R236 VanDerWaalsContact O-N 3.12Å
233	M	86.2	Confident	89.4	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.034	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-47	174.8	-172.7	-161.2	75	0	0	110.2	F156 L157 T229 M230 S235 R236 V237	F156-M233 HydrophobicContact CB-CG 4.31Å; L157-M233 HydrophobicContact CD1-CB 4.49Å; L157-M233 HydrophobicContact CD1-CG 4.08Å; L157-M233 HydrophobicContact CD1-SD 3.44Å; L157-M233 WeakPolarHBondContact CD1-SD 3.46Å; L157-M233 HydrophobicContact CG-CB 4.26Å; L157-M233 HydrophobicContact CG-CG 4.15Å; L157-M233 HydrophobicContact CG-SD 4.16Å; T229-M233 PolarHBondContact O-N 3.05Å; M230-M233 HydrophobicContact CE-CE 3.25Å; M230-M233 HydrophobicContact CE-SD 3.75Å; M230-M233 HydrophobicContact CG-CE 4.42Å; M230-M233 WeakPolarHBondContact O-CB 3.1Å; M230-M233 PolarHBondContact O-N 3.48Å; M230-M233 VanDerWaalsContact O-N 3.11Å; M230-M233 HydrophobicContact SD-CB 4.14Å; M230-M233 HydrophobicContact SD-CE 3.44Å; M230-M233 WeakPolarHBondContact SD-CE 3.39Å; M230-M233 HydrophobicContact SD-CG 4.5Å; M230-M233 HydrophobicContact SD-SD 3.57Å; M233-S235 PolarHBondContact O-N 3.23Å; M233-R236 PolarHBondContact O-N 3.47Å; M233-V237 HydrophobicContact CG-CG2 4.36Å; M233-V237 WeakPolarHBondContact O-CG2 3.48Å; M233-V237 PolarHBondContact O-N 2.94Å
234	H	87.6	Confident	89.3	Confident	57 Å²	57	52.9 Å²	52.9	26%	0.264	28%	0.282	S	S	.	.	H	α-helix	trans	-56.2	-51.8	178.4	175.9	91.5	0	0	0	111.8	M230 G231 R236 V237 H238 C273	M230-H234 PolarHBondContact O-N 3.32Å; G231-H234 PolarHBondContact O-N 3.37Å; H234-R236 VanDerWaalsContact C-N 3.31Å; H234-R236 PolarHBondContact O-N 3.45Å; H234-V237 PolarHBondContact O-N 3.23Å; H234-H238 AromaticContact CD2-CD2 3.75Å; H234-H238 AromaticContact CE1-CD2 3.35Å; H234-H238 PolarHBondContact CE1-CD2 2.95Å; H234-H238 AromaticContact CE1-NE2 3.16Å; H234-H238 PolarHBondContact CE1-NE2 2.99Å; H234-H238 AromaticContact CG-CD2 3.98Å; H234-H238 AromaticContact ND1-CD2 3.74Å; H234-H238 AromaticContact ND1-NE2 3.83Å; H234-H238 AromaticContact NE2-CD2 3.33Å; H234-H238 PolarHBondContact NE2-CD2 3.14Å; H234-H238 VanDerWaalsContact NE2-CD2 3.33Å; H234-H238 AromaticContact NE2-NE2 3.49Å; H234-H238 PolarHBondContact NE2-NE2 3.27Å; H234-H238 PolarHBondContact O-CD2 3.41Å; H234-H238 PolarHBondContact O-N 3.3Å; H234-C273 WeakPolarHBondContact ND1-CB 3.32Å
235	S	88	Confident	89.2	Confident	83 Å²	83	51.8 Å²	51.8	58%	0.58	27%	0.269	S	S	*	.	H	α-helix	trans	-61.7	-36.9	177.6	-56.3	0	0	0	0	113	G231 M233 G239	G231-S235 PolarHBondContact O-N 3.35Å; G231-S235 PolarHBondContact O-OG 3.1Å; M233-S235 PolarHBondContact O-N 3.23Å; S235-G239 PolarHBondContact O-N 3.12Å
236	R	88.4	Confident	89	Confident	119 Å²	119	54.8 Å²	54.8	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-67.6	-45.5	178.3	-172.2	177.1	-174.8	177.8	5	111.7	F156 H232 M233 H234 G239 E240	F156-R236 HydrophobicContact CD1-CG 4.39Å; F156-R236 PolarHBondContact O-NH1 3Å; F156-R236 VanDerWaalsContact O-NH1 3.07Å; H232-R236 WeakPolarHBondContact O-CB 3.49Å; H232-R236 PolarHBondContact O-N 3.02Å; H232-R236 VanDerWaalsContact O-N 3.12Å; M233-R236 PolarHBondContact O-N 3.47Å; H234-R236 VanDerWaalsContact C-N 3.31Å; H234-R236 PolarHBondContact O-N 3.45Å; R236-G239 PolarHBondContact O-N 2.91Å; R236-E240 WeakPolarHBondContact O-CG 3.41Å; R236-E240 PolarHBondContact O-N 3.12Å
237	V	87.3	Confident	88.8	Confident	6 Å²	6	59.7 Å²	59.7	4%	0.036	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-47.1	177.4	172.4	0	0	0	0	110.2	F156 M233 H234 G239 E240 V241 T269	F156-V237 HydrophobicContact CB-CG2 4.41Å; F156-V237 HydrophobicContact CD2-CG2 4.12Å; F156-V237 HydrophobicContact CG-CG2 4.1Å; M233-V237 HydrophobicContact CG-CG2 4.36Å; M233-V237 WeakPolarHBondContact O-CG2 3.48Å; M233-V237 PolarHBondContact O-N 2.94Å; H234-V237 PolarHBondContact O-N 3.23Å; V237-G239 VanDerWaalsContact C-N 3.32Å; V237-G239 PolarHBondContact O-N 3.43Å; V237-E240 PolarHBondContact O-N 3.23Å; V237-V241 HydrophobicContact CG1-CG2 4.15Å; V237-V241 WeakPolarHBondContact O-CB 3.3Å; V237-V241 VanDerWaalsContact O-CG2 3.25Å; V237-V241 WeakPolarHBondContact O-CG2 3.48Å; V237-V241 PolarHBondContact O-N 3.21Å; V237-T269 HydrophobicContact CG1-CG2 4.01Å
238	H	87.6	Confident	88.7	Confident	36 Å²	36	57 Å²	57	17%	0.167	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-43.6	175.3	-90.3	-76.6	0	0	0	112.6	H234 F242 V265 T266 S270	H234-H238 AromaticContact CD2-CD2 3.75Å; H234-H238 AromaticContact CE1-CD2 3.35Å; H234-H238 PolarHBondContact CE1-CD2 2.95Å; H234-H238 AromaticContact CE1-NE2 3.16Å; H234-H238 PolarHBondContact CE1-NE2 2.99Å; H234-H238 AromaticContact CG-CD2 3.98Å; H234-H238 AromaticContact ND1-CD2 3.74Å; H234-H238 AromaticContact ND1-NE2 3.83Å; H234-H238 AromaticContact NE2-CD2 3.33Å; H234-H238 PolarHBondContact NE2-CD2 3.14Å; H234-H238 VanDerWaalsContact NE2-CD2 3.33Å; H234-H238 AromaticContact NE2-NE2 3.49Å; H234-H238 PolarHBondContact NE2-NE2 3.27Å; H234-H238 PolarHBondContact O-CD2 3.41Å; H234-H238 PolarHBondContact O-N 3.3Å; H238-F242 VanDerWaalsContact O-CB 3.26Å; H238-F242 WeakPolarHBondContact O-CB 3.37Å; H238-F242 PolarHBondContact O-N 3.09Å; H238-V265 PolarHBondContact CE1-O 3.32Å; H238-V265 VanDerWaalsContact CE1-O 3.27Å; H238-V265 PolarHBondContact ND1-O 3.22Å; H238-T266 PolarHBondContact CE1-O 3.34Å; H238-S270 WeakPolarHBondContact NE2-CA 3.44Å; H238-S270 PolarHBondContact NE2-N 3.23Å
239	G	89.3	Confident	88.5	Confident	41 Å²	41	54.1 Å²	54.1	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-45.5	177.7	0	0	0	0	0	113	S235 R236 V237 R243	S235-G239 PolarHBondContact O-N 3.12Å; R236-G239 PolarHBondContact O-N 2.91Å; V237-G239 VanDerWaalsContact C-N 3.32Å; V237-G239 PolarHBondContact O-N 3.43Å; G239-R243 WeakPolarHBondContact O-CB 3.27Å; G239-R243 PolarHBondContact O-N 3.47Å
240	E	88.9	Confident	88.3	Confident	77 Å²	77	56.2 Å²	56.2	36%	0.36	29%	0.29	S	S	.	.	H	α-helix	trans	-69.9	-40	179.1	-68.1	-67.2	171.4	0	0	112.3	F156 R236 V237 R243 A244 L459	F156-E240 HydrophobicContact CE1-CG 4.24Å; R236-E240 WeakPolarHBondContact O-CG 3.41Å; R236-E240 PolarHBondContact O-N 3.12Å; V237-E240 PolarHBondContact O-N 3.23Å; E240-R243 PolarHBondContact O-N 3.2Å; E240-A244 WeakPolarHBondContact O-CB 3.47Å; E240-A244 PolarHBondContact O-N 3.1Å; E240-L459 HydrophobicContact CB-CD1 4.38Å
241	V	90.3	Very high	88.1	Confident	3 Å²	3	56 Å²	56	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-47.6	175.6	172	0	0	0	0	110.4	V237 R243 A244 V245 V265 T269 I455 L459	V237-V241 HydrophobicContact CG1-CG2 4.15Å; V237-V241 WeakPolarHBondContact O-CB 3.3Å; V237-V241 VanDerWaalsContact O-CG2 3.25Å; V237-V241 WeakPolarHBondContact O-CG2 3.48Å; V237-V241 PolarHBondContact O-N 3.21Å; V241-R243 VanDerWaalsContact C-N 3.32Å; V241-R243 PolarHBondContact O-N 3.2Å; V241-A244 PolarHBondContact O-N 2.95Å; V241-V245 WeakPolarHBondContact O-CG2 3.32Å; V241-V245 PolarHBondContact O-N 3.36Å; V241-V265 HydrophobicContact CG1-CG1 4.24Å; V241-V265 HydrophobicContact CG1-CG2 4.17Å; V241-T269 HydrophobicContact CG2-CG2 4.37Å; V241-I455 HydrophobicContact CG1-CG2 4.41Å; V241-I455 HydrophobicContact CG2-CG2 3.52Å; V241-L459 HydrophobicContact CG2-CD1 3.93Å
242	F	90.7	Very high	87.9	Confident	116 Å²	116	54.6 Å²	54.6	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-42.7	177	-176.6	-108.9	0	0	0	111.3	H238 V245 L246 V265	H238-F242 VanDerWaalsContact O-CB 3.26Å; H238-F242 WeakPolarHBondContact O-CB 3.37Å; H238-F242 PolarHBondContact O-N 3.09Å; F242-V245 PolarHBondContact O-N 3.43Å; F242-L246 HydrophobicContact CD1-CD1 3.9Å; F242-L246 HydrophobicContact CD1-CG 4.5Å; F242-L246 HydrophobicContact CE1-CD1 3.43Å; F242-L246 VanDerWaalsContact CE1-CD1 3.43Å; F242-L246 HydrophobicContact CE1-CG 4.2Å; F242-L246 HydrophobicContact CZ-CD1 3.83Å; F242-L246 HydrophobicContact CZ-CD2 4.35Å; F242-L246 HydrophobicContact CZ-CG 4.22Å; F242-L246 WeakPolarHBondContact O-CG 3.39Å; F242-L246 PolarHBondContact O-N 3.19Å; F242-L246 VanDerWaalsContact O-N 3.07Å; F242-V265 HydrophobicContact CB-CG1 4.27Å; F242-V265 HydrophobicContact CD2-CG1 4.17Å
243	R	90.3	Very high	87.9	Confident	145 Å²	145	53.4 Å²	53.4	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-47.2	174.3	-179	-177.3	168.3	83.5	8.3	111.5	G239 E240 V241 V245 L246 H247	G239-R243 WeakPolarHBondContact O-CB 3.27Å; G239-R243 PolarHBondContact O-N 3.47Å; E240-R243 PolarHBondContact O-N 3.2Å; V241-R243 VanDerWaalsContact C-N 3.32Å; V241-R243 PolarHBondContact O-N 3.2Å; R243-V245 PolarHBondContact O-N 3.07Å; R243-L246 PolarHBondContact O-N 2.69Å; R243-H247 PolarHBondContact O-N 2.94Å; R243-H247 PolarHBondContact O-ND1 2.81Å
244	A	89.4	Confident	87.8	Confident	22 Å²	22	57.2 Å²	57.2	18%	0.182	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-45	179.7	0	0	0	0	0	111.5	E240 V241 L246 H247 Q248	E240-A244 WeakPolarHBondContact O-CB 3.47Å; E240-A244 PolarHBondContact O-N 3.1Å; V241-A244 PolarHBondContact O-N 2.95Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 3.39Å; A244-H247 PolarHBondContact O-N 3.19Å; A244-H247 VanDerWaalsContact O-N 3.16Å; A244-Q248 PolarHBondContact O-N 3.46Å
245	V	89.9	Confident	87.5	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-43	176.1	171.5	0	0	0	0	111.8	V241 F242 R243 H247 Q248 F253 I261 V265 Y458	V241-V245 WeakPolarHBondContact O-CG2 3.32Å; V241-V245 PolarHBondContact O-N 3.36Å; F242-V245 PolarHBondContact O-N 3.43Å; R243-V245 PolarHBondContact O-N 3.07Å; V245-H247 VanDerWaalsContact C-N 3.26Å; V245-H247 PolarHBondContact O-N 3.15Å; V245-Q248 VanDerWaalsContact O-CB 3.27Å; V245-Q248 WeakPolarHBondContact O-CB 3.29Å; V245-Q248 PolarHBondContact O-N 3.23Å; V245-F253 HydrophobicContact CG1-CE1 3.97Å; V245-F253 HydrophobicContact CG1-CZ 3.9Å; V245-F253 VanDerWaalsContact O-CZ 3.29Å; V245-F253 WeakPolarHBondContact O-CZ 3.32Å; V245-I261 HydrophobicContact CG1-CG2 3.68Å; V245-V265 HydrophobicContact CG2-CG2 3.76Å; V245-Y458 HydrophobicContact CG2-CD1 3.84Å; V245-Y458 HydrophobicContact CG2-CE1 4.45Å
246	L	88.2	Confident	87.2	Confident	107 Å²	107	58 Å²	58	56%	0.56	28%	0.281	S	S	*	.	H	α-helix	trans	-66.1	-24.2	178.4	-71.9	179.6	0	0	0	114.1	F242 R243 A244 Q248	F242-L246 HydrophobicContact CD1-CD1 3.9Å; F242-L246 HydrophobicContact CD1-CG 4.5Å; F242-L246 HydrophobicContact CE1-CD1 3.43Å; F242-L246 VanDerWaalsContact CE1-CD1 3.43Å; F242-L246 HydrophobicContact CE1-CG 4.2Å; F242-L246 HydrophobicContact CZ-CD1 3.83Å; F242-L246 HydrophobicContact CZ-CD2 4.35Å; F242-L246 HydrophobicContact CZ-CG 4.22Å; F242-L246 WeakPolarHBondContact O-CG 3.39Å; F242-L246 PolarHBondContact O-N 3.19Å; F242-L246 VanDerWaalsContact O-N 3.07Å; R243-L246 PolarHBondContact O-N 2.69Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 3.39Å; L246-Q248 VanDerWaalsContact C-N 3.3Å
247	H	87.4	Confident	86.9	Confident	107 Å²	107	56.6 Å²	56.6	50%	0.495	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.4	177.2	-72.2	70.2	0	0	0	112.8	R243 A244 V245 P463	R243-H247 PolarHBondContact O-N 2.94Å; R243-H247 PolarHBondContact O-ND1 2.81Å; A244-H247 PolarHBondContact O-N 3.19Å; A244-H247 VanDerWaalsContact O-N 3.16Å; V245-H247 VanDerWaalsContact C-N 3.26Å; V245-H247 PolarHBondContact O-N 3.15Å; H247-P463 WeakPolarHBondContact O-CB 3.25Å
248	Q	88.1	Confident	86.8	Confident	14 Å²	14	61 Å²	61	7%	0.065	32%	0.315	C	S	.	.	S	Bend	trans	-74.5	150.4	179.5	-157.6	64	43.4	0	0	111.8	A244 V245 L246 F252 F253 R461	A244-Q248 PolarHBondContact O-N 3.46Å; V245-Q248 VanDerWaalsContact O-CB 3.27Å; V245-Q248 WeakPolarHBondContact O-CB 3.29Å; V245-Q248 PolarHBondContact O-N 3.23Å; L246-Q248 VanDerWaalsContact C-N 3.3Å; Q248-F252 HydrophobicContact CB-CB 4.24Å; Q248-F252 HydrophobicContact CB-CD1 4.17Å; Q248-F252 HydrophobicContact CB-CG 4.25Å; Q248-F252 HydrophobicContact CG-CB 3.35Å; Q248-F252 HydrophobicContact CG-CD1 3.77Å; Q248-F252 HydrophobicContact CG-CD2 3.89Å; Q248-F252 HydrophobicContact CG-CG 3.38Å; Q248-F253 HydrophobicContact CB-CE2 4.37Å; Q248-R461 VanDerWaalsContact CD-NE 3.29Å
249	E	86.8	Confident	86.6	Confident	37 Å²	37	61.8 Å²	61.8	17%	0.173	33%	0.333	C	S	.	.			trans	-59.5	151.1	176.8	64.9	-78.2	165.5	0	0	113.5	G251 F252 R461 P463 C464	E249-G251 PolarHBondContact O-N 3.18Å; E249-G251 VanDerWaalsContact O-N 3.14Å; E249-F252 HydrophobicContact CG-CB 4.4Å; E249-F252 WeakPolarHBondContact O-CB 3.18Å; E249-F252 PolarHBondContact O-N 3.48Å; E249-R461 IonicContact OE1-CZ 3.41Å; E249-R461 IonicContact OE1-NE 3.76Å; E249-R461 IonicContact OE1-NH2 2.85Å; E249-R461 PolarHBondContact OE1-NH2 3.45Å; E249-P463 WeakPolarHBondContact OE2-CA 3.22Å; E249-C464 PolarHBondContact OE2-N 3.33Å
250	T	86	Confident	86.2	Confident	46 Å²	46	61.5 Å²	61.5	28%	0.282	32%	0.324	S	S	.	.	H	α-helix	trans	-54.5	-33.6	174.8	55	0	0	0	0	113	F252 F253 L254 L531 Y532	T250-F252 PolarHBondContact O-N 3.11Å; T250-F253 PolarHBondContact O-N 3.43Å; T250-F253 VanDerWaalsContact O-N 3.11Å; T250-L254 PolarHBondContact O-N 3.04Å; T250-L531 HydrophobicContact CG2-CB 4.23Å; T250-L531 HydrophobicContact CG2-CD2 4.18Å; T250-L531 PolarHBondContact OG1-O 3.39Å; T250-Y532 WeakPolarHBondContact OG1-CE1 3.46Å; T250-Y532 VanDerWaalsContact OG1-CZ 3.27Å; T250-Y532 PolarHBondContact OG1-OH 3.18Å
251	G	83.6	Confident	86.1	Confident	4 Å²	4	58.2 Å²	58.2	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-24.6	174.6	0	0	0	0	0	114.1	E249 K255	E249-G251 PolarHBondContact O-N 3.18Å; E249-G251 VanDerWaalsContact O-N 3.14Å; G251-K255 WeakPolarHBondContact O-CG 3.45Å; G251-K255 PolarHBondContact O-N 3.15Å
252	F	85.9	Confident	85.9	Confident	7 Å²	7	61.8 Å²	61.8	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-42.4	173.4	176	-98	0	0	0	112	Q248 E249 T250 L254 K255 N256 I261 Y458	Q248-F252 HydrophobicContact CB-CB 4.24Å; Q248-F252 HydrophobicContact CB-CD1 4.17Å; Q248-F252 HydrophobicContact CB-CG 4.25Å; Q248-F252 HydrophobicContact CG-CB 3.35Å; Q248-F252 HydrophobicContact CG-CD1 3.77Å; Q248-F252 HydrophobicContact CG-CD2 3.89Å; Q248-F252 HydrophobicContact CG-CG 3.38Å; E249-F252 HydrophobicContact CG-CB 4.4Å; E249-F252 WeakPolarHBondContact O-CB 3.18Å; E249-F252 PolarHBondContact O-N 3.48Å; T250-F252 PolarHBondContact O-N 3.11Å; F252-L254 VanDerWaalsContact C-N 3.29Å; F252-L254 PolarHBondContact O-N 3.09Å; F252-K255 PolarHBondContact O-N 2.79Å; F252-N256 WeakPolarHBondContact CD2-ND2 3.45Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.33Å; F252-N256 HydrophobicContact CZ-CB 4.4Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.3Å; F252-N256 PolarHBondContact O-N 3.47Å; F252-N256 VanDerWaalsContact O-N 3.09Å; F252-N256 PolarHBondContact O-ND2 3.49Å; F252-I261 HydrophobicContact CD1-CD1 4.32Å; F252-I261 HydrophobicContact CE1-CD1 3.82Å; F252-I261 HydrophobicContact CE1-CG1 4.22Å; F252-Y458 HydrophobicContact CE1-CD1 4.47Å; F252-Y458 AromaticContact CE1-CE1 3.88Å; F252-Y458 HydrophobicContact CE1-CE1 3.88Å; F252-Y458 HydrophobicContact CE2-CE1 4.29Å; F252-Y458 AromaticContact CZ-CD1 3.94Å; F252-Y458 HydrophobicContact CZ-CD1 3.94Å; F252-Y458 AromaticContact CZ-CE1 3.28Å; F252-Y458 HydrophobicContact CZ-CE1 3.28Å; F252-Y458 AromaticContact CZ-CZ 3.95Å
253	F	87.1	Confident	85.7	Confident	78 Å²	78	58.1 Å²	58.1	34%	0.342	32%	0.32	S	S	.	.	H	α-helix	trans	-71.5	-23.6	178	-64	-84.8	0	0	0	112.7	V245 Q248 T250 I261	V245-F253 HydrophobicContact CG1-CE1 3.97Å; V245-F253 HydrophobicContact CG1-CZ 3.9Å; V245-F253 VanDerWaalsContact O-CZ 3.29Å; V245-F253 WeakPolarHBondContact O-CZ 3.32Å; Q248-F253 HydrophobicContact CB-CE2 4.37Å; T250-F253 PolarHBondContact O-N 3.43Å; T250-F253 VanDerWaalsContact O-N 3.11Å; F253-I261 HydrophobicContact CD1-CD1 3.5Å; F253-I261 HydrophobicContact CE1-CD1 3.9Å; F253-I261 HydrophobicContact CG-CD1 4.41Å
254	L	82.4	Confident	85.3	Confident	88 Å²	88	55.4 Å²	55.4	46%	0.461	31%	0.31	S	S	.	.	H	α-helix	trans	-74.3	-28	169.7	-72.3	-178.3	0	0	0	113.4	T250 F252 Y489 N491 Y532	T250-L254 PolarHBondContact O-N 3.04Å; F252-L254 VanDerWaalsContact C-N 3.29Å; F252-L254 PolarHBondContact O-N 3.09Å; L254-Y489 HydrophobicContact CD1-CD1 4.29Å; L254-N491 PolarHBondContact O-ND2 3.47Å; L254-N491 VanDerWaalsContact O-ND2 3.15Å; L254-Y532 HydrophobicContact CD1-CE1 4.24Å; L254-Y532 WeakPolarHBondContact CD1-OH 3.44Å
255	K	82.1	Confident	85.1	Confident	117 Å²	117	54.9 Å²	54.9	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-83.1	-31.7	178.5	-72.7	-176.5	-179.2	-172.4	0	112.5	G251 F252 P490 N491	G251-K255 WeakPolarHBondContact O-CG 3.45Å; G251-K255 PolarHBondContact O-N 3.15Å; F252-K255 PolarHBondContact O-N 2.79Å; K255-P490 VanDerWaalsContact CE-O 3.27Å; K255-P490 WeakPolarHBondContact CE-O 3.25Å; K255-P490 PolarHBondContact NZ-O 3.31Å; K255-N491 WeakPolarHBondContact CE-OD1 2.91Å; K255-N491 WeakPolarHBondContact CG-OD1 2.87Å
256	N	82.7	Confident	84.9	Confident	38 Å²	38	57.7 Å²	57.7	20%	0.203	32%	0.322	C	S	.	.	S	Bend	trans	-117	119.1	-172.4	-60.5	-81.6	0	0	0	109.3	F252 T258 I261	F252-N256 WeakPolarHBondContact CD2-ND2 3.45Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.33Å; F252-N256 HydrophobicContact CZ-CB 4.4Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.3Å; F252-N256 PolarHBondContact O-N 3.47Å; F252-N256 VanDerWaalsContact O-N 3.09Å; F252-N256 PolarHBondContact O-ND2 3.49Å; N256-T258 PolarHBondContact O-N 3.09Å; N256-I261 HydrophobicContact CB-CD1 3.93Å; N256-I261 HydrophobicContact CB-CG1 3.9Å
257	P	82	Confident	84.9	Confident	90 Å²	90	57.9 Å²	57.9	58%	0.584	32%	0.32	S	S	*	.			trans	-62.1	139.5	-179.1	24.1	-31	0	0	0	110.4	G259 S260 I261	P257-G259 VanDerWaalsContact C-N 3.26Å; P257-G259 PolarHBondContact O-N 3.47Å; P257-G259 VanDerWaalsContact O-N 3.15Å; P257-S260 WeakPolarHBondContact CD-OG 3.27Å; P257-S260 WeakPolarHBondContact CG-OG 3.41Å; P257-S260 WeakPolarHBondContact O-CB 3.42Å; P257-S260 PolarHBondContact O-N 3.45Å; P257-S260 PolarHBondContact O-OG 2.99Å; P257-I261 PolarHBondContact O-N 3.19Å
258	T	83.8	Confident	84.7	Confident	98 Å²	98	56 Å²	56	60%	0.601	31%	0.313	S	S	*	.	H	α-helix	trans	-52.3	-42.1	-174.7	-49.4	0	0	0	0	112.7	N256 S260 I261 T262	N256-T258 PolarHBondContact O-N 3.09Å; T258-S260 VanDerWaalsContact C-N 3.27Å; T258-S260 PolarHBondContact O-N 2.88Å; T258-I261 PolarHBondContact O-N 3.34Å; T258-I261 VanDerWaalsContact O-N 3.11Å; T258-T262 PolarHBondContact O-N 2.89Å; T258-T262 PolarHBondContact O-OG1 2.99Å; T258-T262 VanDerWaalsContact O-OG1 3.07Å
259	G	83.2	Confident	84.7	Confident	54 Å²	54	55.4 Å²	55.4	56%	0.557	31%	0.311	S	S	*	.	H	α-helix	trans	-59.6	-35.5	177.5	0	0	0	0	0	113.7	P257 S263	P257-G259 VanDerWaalsContact C-N 3.26Å; P257-G259 PolarHBondContact O-N 3.47Å; P257-G259 VanDerWaalsContact O-N 3.15Å; G259-S263 WeakPolarHBondContact O-CB 3.25Å; G259-S263 PolarHBondContact O-N 3.38Å
260	S	82	Confident	84.7	Confident	34 Å²	34	55.3 Å²	55.3	24%	0.238	31%	0.314	C	S	.	.	H	α-helix	trans	-71	-36.4	176.1	73.8	0	0	0	0	112.4	P257 T258 R264	P257-S260 WeakPolarHBondContact CD-OG 3.27Å; P257-S260 WeakPolarHBondContact CG-OG 3.41Å; P257-S260 WeakPolarHBondContact O-CB 3.42Å; P257-S260 PolarHBondContact O-N 3.45Å; P257-S260 PolarHBondContact O-OG 2.99Å; T258-S260 VanDerWaalsContact C-N 3.27Å; T258-S260 PolarHBondContact O-N 2.88Å; S260-R264 VanDerWaalsContact O-CB 3.32Å; S260-R264 WeakPolarHBondContact O-CB 3.28Å; S260-R264 WeakPolarHBondContact O-CD 3.5Å; S260-R264 WeakPolarHBondContact O-CG 3.26Å; S260-R264 PolarHBondContact O-N 3.25Å; S260-R264 VanDerWaalsContact O-N 3.08Å
261	I	86.7	Confident	84.8	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.046	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-45.7	175.8	-59.8	170.9	0	0	0	109	V245 F252 F253 N256 P257 T258 R264 V265	V245-I261 HydrophobicContact CG1-CG2 3.68Å; F252-I261 HydrophobicContact CD1-CD1 4.32Å; F252-I261 HydrophobicContact CE1-CD1 3.82Å; F252-I261 HydrophobicContact CE1-CG1 4.22Å; F253-I261 HydrophobicContact CD1-CD1 3.5Å; F253-I261 HydrophobicContact CE1-CD1 3.9Å; F253-I261 HydrophobicContact CG-CD1 4.41Å; N256-I261 HydrophobicContact CB-CD1 3.93Å; N256-I261 HydrophobicContact CB-CG1 3.9Å; P257-I261 PolarHBondContact O-N 3.19Å; T258-I261 PolarHBondContact O-N 3.34Å; T258-I261 VanDerWaalsContact O-N 3.11Å; I261-R264 PolarHBondContact O-N 2.98Å; I261-V265 HydrophobicContact CG2-CG2 4.15Å; I261-V265 WeakPolarHBondContact O-CB 3.41Å; I261-V265 VanDerWaalsContact O-CG2 3.23Å; I261-V265 WeakPolarHBondContact O-CG2 3.46Å; I261-V265 PolarHBondContact O-N 2.94Å
262	T	86.3	Confident	85	Confident	77 Å²	77	57.8 Å²	57.8	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-58.3	-55.5	178.5	-56.6	0	0	0	0	111.1	T258 R264 V265 T266	T258-T262 PolarHBondContact O-N 2.89Å; T258-T262 PolarHBondContact O-OG1 2.99Å; T258-T262 VanDerWaalsContact O-OG1 3.07Å; T262-R264 VanDerWaalsContact C-N 3.28Å; T262-R264 PolarHBondContact O-N 2.96Å; T262-V265 PolarHBondContact O-N 2.96Å; T262-V265 VanDerWaalsContact O-N 3.13Å; T262-T266 HydrophobicContact CG2-CG2 4.42Å; T262-T266 PolarHBondContact O-N 3.25Å; T262-T266 PolarHBondContact O-OG1 3.31Å
263	S	85.5	Confident	84.9	Confident	39 Å²	39	57.5 Å²	57.5	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-38.3	178.8	170.8	0	0	0	0	112.1	G259 E267 D268	G259-S263 WeakPolarHBondContact O-CB 3.25Å; G259-S263 PolarHBondContact O-N 3.38Å; S263-E267 WeakPolarHBondContact O-CA 3.38Å; S263-E267 WeakPolarHBondContact O-CB 3.43Å; S263-E267 PolarHBondContact O-N 2.91Å; S263-E267 PolarHBondContact OG-OE2 3.34Å; S263-D268 PolarHBondContact O-N 3.03Å
264	R	82	Confident	85	Confident	88 Å²	88	58.8 Å²	58.8	33%	0.332	33%	0.331	S	S	.	.	I	π-helix	trans	-66	-42.6	175.7	-74.4	173.4	-175.4	-161	2.6	113.2	S260 I261 T262 D268 T269 Y458	S260-R264 VanDerWaalsContact O-CB 3.32Å; S260-R264 WeakPolarHBondContact O-CB 3.28Å; S260-R264 WeakPolarHBondContact O-CD 3.5Å; S260-R264 WeakPolarHBondContact O-CG 3.26Å; S260-R264 PolarHBondContact O-N 3.25Å; S260-R264 VanDerWaalsContact O-N 3.08Å; I261-R264 PolarHBondContact O-N 2.98Å; T262-R264 VanDerWaalsContact C-N 3.28Å; T262-R264 PolarHBondContact O-N 2.96Å; R264-D268 WeakPolarHBondContact CG-OD2 3.49Å; R264-D268 WeakPolarHBondContact O-CB 3.49Å; R264-T269 PolarHBondContact O-N 3.32Å; R264-T269 PolarHBondContact O-OG1 3.28Å; R264-Y458 WeakPolarHBondContact CD-OH 3.23Å; R264-Y458 PolarHBondContact NH1-OH 3.21Å
265	V	86.2	Confident	85.3	Confident	12 Å²	12	56.1 Å²	56.1	7%	0.073	32%	0.319	C	S	.	.	I	π-helix	trans	-75	-31.6	-178.3	174.4	0	0	0	0	111.8	H238 V241 F242 V245 I261 T262 T269	H238-V265 PolarHBondContact CE1-O 3.32Å; H238-V265 VanDerWaalsContact CE1-O 3.27Å; H238-V265 PolarHBondContact ND1-O 3.22Å; V241-V265 HydrophobicContact CG1-CG1 4.24Å; V241-V265 HydrophobicContact CG1-CG2 4.17Å; F242-V265 HydrophobicContact CB-CG1 4.27Å; F242-V265 HydrophobicContact CD2-CG1 4.17Å; V245-V265 HydrophobicContact CG2-CG2 3.76Å; I261-V265 HydrophobicContact CG2-CG2 4.15Å; I261-V265 WeakPolarHBondContact O-CB 3.41Å; I261-V265 VanDerWaalsContact O-CG2 3.23Å; I261-V265 WeakPolarHBondContact O-CG2 3.46Å; I261-V265 PolarHBondContact O-N 2.94Å; T262-V265 PolarHBondContact O-N 2.96Å; T262-V265 VanDerWaalsContact O-N 3.13Å; V265-T269 VanDerWaalsContact O-CB 3.27Å; V265-T269 WeakPolarHBondContact O-CB 3.34Å; V265-T269 PolarHBondContact O-OG1 3.15Å
266	T	85.9	Confident	85.5	Confident	68 Å²	68	50.8 Å²	50.8	42%	0.417	30%	0.296	S	S	.	.	I	π-helix	trans	-96.3	-69.3	-179.2	59.7	0	0	0	0	111.7	H238 T262 S270	H238-T266 PolarHBondContact CE1-O 3.34Å; T262-T266 HydrophobicContact CG2-CG2 4.42Å; T262-T266 PolarHBondContact O-N 3.25Å; T262-T266 PolarHBondContact O-OG1 3.31Å; T266-S270 WeakPolarHBondContact O-CB 3.5Å; T266-S270 PolarHBondContact O-N 2.9Å
267	E	86.6	Confident	85.7	Confident	111 Å²	111	49.5 Å²	49.5	52%	0.519	29%	0.29	S	S	.	.	I	π-helix	trans	-70.1	-53.5	-171.7	-61.5	173.9	161.3	0	0	111.8	S263 T269 S270 N271	S263-E267 WeakPolarHBondContact O-CA 3.38Å; S263-E267 WeakPolarHBondContact O-CB 3.43Å; S263-E267 PolarHBondContact O-N 2.91Å; S263-E267 PolarHBondContact OG-OE2 3.34Å; E267-T269 VanDerWaalsContact C-N 3.33Å; E267-T269 PolarHBondContact O-N 3.19Å; E267-S270 PolarHBondContact O-N 3.12Å; E267-N271 VanDerWaalsContact O-CB 3.22Å; E267-N271 WeakPolarHBondContact O-CB 3.43Å; E267-N271 PolarHBondContact O-N 3.34Å; E267-N271 PolarHBondContact O-ND2 3.29Å; E267-N271 VanDerWaalsContact O-ND2 3.12Å
268	D	84.9	Confident	86.1	Confident	68 Å²	68	48.6 Å²	48.6	36%	0.364	28%	0.281	S	S	.	.	I	π-helix	trans	-63.8	-41.8	-177.2	-72.6	-20.2	0	0	0	110.9	S263 R264 V272	S263-D268 PolarHBondContact O-N 3.03Å; R264-D268 WeakPolarHBondContact CG-OD2 3.49Å; R264-D268 WeakPolarHBondContact O-CB 3.49Å; D268-V272 VanDerWaalsContact O-CB 3.3Å; D268-V272 WeakPolarHBondContact O-CB 3.37Å; D268-V272 WeakPolarHBondContact O-CG2 3.34Å; D268-V272 PolarHBondContact O-N 3.04Å
269	T	86.8	Confident	86.3	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-41.1	178	-56.4	0	0	0	0	111.9	V237 V241 R264 V265 E267 C273 I455	V237-T269 HydrophobicContact CG1-CG2 4.01Å; V241-T269 HydrophobicContact CG2-CG2 4.37Å; R264-T269 PolarHBondContact O-N 3.32Å; R264-T269 PolarHBondContact O-OG1 3.28Å; V265-T269 VanDerWaalsContact O-CB 3.27Å; V265-T269 WeakPolarHBondContact O-CB 3.34Å; V265-T269 PolarHBondContact O-OG1 3.15Å; E267-T269 VanDerWaalsContact C-N 3.33Å; E267-T269 PolarHBondContact O-N 3.19Å; T269-C273 WeakPolarHBondContact O-CB 3.44Å; T269-C273 PolarHBondContact O-N 2.87Å; T269-C273 PolarHBondContact O-SG 3.08Å; T269-I455 HydrophobicContact CG2-CD1 4.46Å
270	S	87.8	Confident	86.5	Confident	35 Å²	35	46 Å²	46	25%	0.245	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-50.6	176.4	-175.2	0	0	0	0	111.3	H238 T266 E267 V272 C273 E274	H238-S270 WeakPolarHBondContact NE2-CA 3.44Å; H238-S270 PolarHBondContact NE2-N 3.23Å; T266-S270 WeakPolarHBondContact O-CB 3.5Å; T266-S270 PolarHBondContact O-N 2.9Å; E267-S270 PolarHBondContact O-N 3.12Å; S270-V272 VanDerWaalsContact C-N 3.29Å; S270-V272 PolarHBondContact O-N 3.22Å; S270-C273 PolarHBondContact O-N 2.75Å; S270-E274 VanDerWaalsContact O-CB 3.31Å; S270-E274 WeakPolarHBondContact O-CB 3.38Å; S270-E274 PolarHBondContact O-N 3.03Å
271	N	87.8	Confident	86.8	Confident	95 Å²	95	45.4 Å²	45.4	51%	0.508	24%	0.241	S	C	.	.	H	α-helix	trans	-58.5	-41.1	-180	-71.5	-25.6	0	0	0	111.8	E267 S275	E267-N271 VanDerWaalsContact O-CB 3.22Å; E267-N271 WeakPolarHBondContact O-CB 3.43Å; E267-N271 PolarHBondContact O-N 3.34Å; E267-N271 PolarHBondContact O-ND2 3.29Å; E267-N271 VanDerWaalsContact O-ND2 3.12Å; N271-S275 WeakPolarHBondContact O-CB 3.49Å; N271-S275 PolarHBondContact O-N 2.88Å
272	V	86.6	Confident	87	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-47.3	176.9	168	0	0	0	0	110.9	M153 D268 S270 I276 A451 I455	M153-V272 HydrophobicContact CE-CG1 4.29Å; D268-V272 VanDerWaalsContact O-CB 3.3Å; D268-V272 WeakPolarHBondContact O-CB 3.37Å; D268-V272 WeakPolarHBondContact O-CG2 3.34Å; D268-V272 PolarHBondContact O-N 3.04Å; S270-V272 VanDerWaalsContact C-N 3.29Å; S270-V272 PolarHBondContact O-N 3.22Å; V272-I276 HydrophobicContact CG1-CD1 3.61Å; V272-I276 HydrophobicContact CG1-CG1 4.45Å; V272-I276 VanDerWaalsContact O-CB 3.3Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 WeakPolarHBondContact O-CG1 3.32Å; V272-I276 PolarHBondContact O-N 3.17Å; V272-A451 HydrophobicContact CG2-CB 3.61Å; V272-I455 HydrophobicContact CB-CD1 3.74Å; V272-I455 HydrophobicContact CG1-CD1 3.97Å; V272-I455 HydrophobicContact CG2-CD1 3.76Å
273	C	85.7	Confident	87.2	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-44.4	-179.7	-71.1	0	0	0	0	112.3	H234 T269 S270 I276 S277	H234-C273 WeakPolarHBondContact ND1-CB 3.32Å; T269-C273 WeakPolarHBondContact O-CB 3.44Å; T269-C273 PolarHBondContact O-N 2.87Å; T269-C273 PolarHBondContact O-SG 3.08Å; S270-C273 PolarHBondContact O-N 2.75Å; C273-I276 PolarHBondContact O-N 3.41Å; C273-S277 WeakPolarHBondContact O-CB 3.4Å; C273-S277 PolarHBondContact O-N 3.11Å
274	E	88.1	Confident	87.3	Confident	105 Å²	105	48.2 Å²	48.2	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-48.6	176.9	-175.3	177.2	-171.1	0	0	110.8	S270 I276 S277 D278	S270-E274 VanDerWaalsContact O-CB 3.31Å; S270-E274 WeakPolarHBondContact O-CB 3.38Å; S270-E274 PolarHBondContact O-N 3.03Å; E274-I276 VanDerWaalsContact C-N 3.29Å; E274-I276 PolarHBondContact O-N 3.44Å; E274-S277 WeakPolarHBondContact O-CB 3.39Å; E274-S277 PolarHBondContact O-N 3.08Å; E274-D278 PolarHBondContact O-N 3.35Å
275	S	88.3	Confident	87.7	Confident	31 Å²	31	45.9 Å²	45.9	22%	0.217	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-39.8	177.6	-170.7	0	0	0	0	112	N271 K279 S448	N271-S275 WeakPolarHBondContact O-CB 3.49Å; N271-S275 PolarHBondContact O-N 2.88Å; S275-K279 VanDerWaalsContact O-CB 3.25Å; S275-K279 WeakPolarHBondContact O-CB 3.32Å; S275-K279 WeakPolarHBondContact O-CG 3.44Å; S275-K279 PolarHBondContact O-N 3.02Å; S275-S448 PolarHBondContact OG-OG 3.15Å
276	I	86	Confident	87.9	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-43.3	177	-69.4	171	0	0	0	111	L150 M153 V272 C273 E274 L280 M445	L150-I276 HydrophobicContact CD2-CG2 4.11Å; M153-I276 HydrophobicContact CE-CD1 3.94Å; M153-I276 HydrophobicContact SD-CD1 3.24Å; M153-I276 WeakPolarHBondContact SD-CD1 3.36Å; V272-I276 HydrophobicContact CG1-CD1 3.61Å; V272-I276 HydrophobicContact CG1-CG1 4.45Å; V272-I276 VanDerWaalsContact O-CB 3.3Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 WeakPolarHBondContact O-CG1 3.32Å; V272-I276 PolarHBondContact O-N 3.17Å; C273-I276 PolarHBondContact O-N 3.41Å; E274-I276 VanDerWaalsContact C-N 3.29Å; E274-I276 PolarHBondContact O-N 3.44Å; I276-L280 WeakPolarHBondContact O-CB 3.27Å; I276-L280 PolarHBondContact O-N 3.39Å; I276-M445 HydrophobicContact CB-CE 4.21Å; I276-M445 HydrophobicContact CG1-CE 3.94Å; I276-M445 HydrophobicContact CG2-CE 4.42Å
277	S	87.9	Confident	88.1	Confident	11 Å²	11	48.5 Å²	48.5	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-53	-56.8	173.6	173.5	0	0	0	0	112.8	Y226 M230 C273 E274 K279 L280 N281	Y226-S277 PolarHBondContact OH-O 3.2Å; M230-S277 WeakPolarHBondContact CG-OG 3.21Å; C273-S277 WeakPolarHBondContact O-CB 3.4Å; C273-S277 PolarHBondContact O-N 3.11Å; E274-S277 WeakPolarHBondContact O-CB 3.39Å; E274-S277 PolarHBondContact O-N 3.08Å; S277-K279 PolarHBondContact O-N 2.8Å; S277-L280 PolarHBondContact O-N 3Å; S277-N281 WeakPolarHBondContact O-CB 3.33Å; S277-N281 PolarHBondContact O-N 3.13Å
278	D	89.4	Confident	88.1	Confident	72 Å²	72	43.8 Å²	43.8	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-67.6	-43.3	-172.4	-69.6	-7.9	0	0	0	111.3	E274 N281 L282	E274-D278 PolarHBondContact O-N 3.35Å; D278-N281 WeakPolarHBondContact O-CB 3.34Å; D278-N281 PolarHBondContact O-N 3.42Å; D278-L282 WeakPolarHBondContact O-CB 3.47Å; D278-L282 VanDerWaalsContact O-CG 3.23Å; D278-L282 WeakPolarHBondContact O-CG 3.45Å; D278-L282 PolarHBondContact O-N 2.94Å
279	K	88.6	Confident	88.3	Confident	61 Å²	61	42.9 Å²	42.9	27%	0.265	22%	0.216	S	C	.	.	H	α-helix	trans	-71.8	-33.5	-178.6	-61.8	-61.1	168.8	-165.8	0	111.7	S275 S277 L282 F283 I441 S444 M445	S275-K279 VanDerWaalsContact O-CB 3.25Å; S275-K279 WeakPolarHBondContact O-CB 3.32Å; S275-K279 WeakPolarHBondContact O-CG 3.44Å; S275-K279 PolarHBondContact O-N 3.02Å; S277-K279 PolarHBondContact O-N 2.8Å; K279-L282 HydrophobicContact CD-CD1 4.44Å; K279-F283 WeakPolarHBondContact O-CB 3.15Å; K279-F283 PolarHBondContact O-N 3.48Å; K279-I441 HydrophobicContact CB-CG2 4.2Å; K279-S444 VanDerWaalsContact CE-OG 3.28Å; K279-S444 WeakPolarHBondContact CE-OG 3.28Å; K279-M445 HydrophobicContact CB-CE 3.34Å; K279-M445 HydrophobicContact CB-CG 4.19Å; K279-M445 HydrophobicContact CB-SD 4.34Å; K279-M445 HydrophobicContact CG-CE 4.04Å
280	L	87.1	Confident	88.4	Confident	36 Å²	36	43.4 Å²	43.4	19%	0.188	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-41.6	171.9	-178.4	66.2	0	0	0	111.2	L154 M230 I276 S277 F283 L284	L154-L280 HydrophobicContact CD2-CD2 4.06Å; M230-L280 HydrophobicContact CE-CD2 4.45Å; I276-L280 WeakPolarHBondContact O-CB 3.27Å; I276-L280 PolarHBondContact O-N 3.39Å; S277-L280 PolarHBondContact O-N 3Å; L280-F283 PolarHBondContact O-N 3.43Å; L280-L284 HydrophobicContact CD1-CD1 4.48Å; L280-L284 HydrophobicContact CD1-CG 4.49Å; L280-L284 HydrophobicContact CG-CD1 4.27Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.05Å
281	N	89.3	Confident	88.5	Confident	21 Å²	21	46.8 Å²	46.8	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-58	175.2	-161.9	18	0	0	0	109.4	D223 Y226 S277 D278 F283 L284 W285	D223-N281 PolarHBondContact OD1-ND2 2.93Å; D223-N281 VanDerWaalsContact OD1-ND2 3.11Å; Y226-N281 HydrophobicContact CD1-CB 4.09Å; Y226-N281 HydrophobicContact CE1-CB 3.44Å; Y226-N281 VanDerWaalsContact CE1-CB 3.44Å; Y226-N281 HydrophobicContact CE2-CB 4.39Å; Y226-N281 PolarHBondContact OH-N 3.41Å; S277-N281 WeakPolarHBondContact O-CB 3.33Å; S277-N281 PolarHBondContact O-N 3.13Å; D278-N281 WeakPolarHBondContact O-CB 3.34Å; D278-N281 PolarHBondContact O-N 3.42Å; N281-F283 PolarHBondContact O-N 3.44Å; N281-L284 PolarHBondContact O-N 2.91Å; N281-L284 VanDerWaalsContact O-N 3.1Å; N281-W285 PolarHBondContact O-N 3Å; N281-W285 PolarHBondContact OD1-NE1 3.34Å
282	L	90.4	Very high	88.5	Confident	59 Å²	59	43.1 Å²	43.1	31%	0.309	22%	0.218	S	C	.	.	H	α-helix	trans	-55.3	-40.3	178.4	-68.8	168.5	0	0	0	111.7	D278 K279 W285 Y286 I441	D278-L282 WeakPolarHBondContact O-CB 3.47Å; D278-L282 VanDerWaalsContact O-CG 3.23Å; D278-L282 WeakPolarHBondContact O-CG 3.45Å; D278-L282 PolarHBondContact O-N 2.94Å; K279-L282 HydrophobicContact CD-CD1 4.44Å; L282-W285 PolarHBondContact O-N 3.34Å; L282-Y286 HydrophobicContact CB-CD2 4.38Å; L282-Y286 HydrophobicContact CD2-CD2 4.32Å; L282-Y286 HydrophobicContact CD2-CE2 3.82Å; L282-Y286 WeakPolarHBondContact O-CB 3.4Å; L282-Y286 VanDerWaalsContact O-CD2 3.25Å; L282-Y286 WeakPolarHBondContact O-CD2 3.47Å; L282-Y286 PolarHBondContact O-N 2.84Å; L282-I441 HydrophobicContact CB-CD1 3.75Å
283	F	90	Very high	88.7	Confident	79 Å²	79	42.9 Å²	42.9	35%	0.346	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-50.3	177.9	177.8	-98.2	0	0	0	111.4	K279 L280 N281 W285 L287 L438 I441	K279-F283 WeakPolarHBondContact O-CB 3.15Å; K279-F283 PolarHBondContact O-N 3.48Å; L280-F283 PolarHBondContact O-N 3.43Å; N281-F283 PolarHBondContact O-N 3.44Å; F283-W285 PolarHBondContact O-N 2.85Å; F283-L287 HydrophobicContact CE1-CD2 3.9Å; F283-L287 HydrophobicContact CZ-CD2 4.02Å; F283-L287 WeakPolarHBondContact O-CB 3.42Å; F283-L287 PolarHBondContact O-N 3.28Å; F283-L438 HydrophobicContact CD2-CD1 3.41Å; F283-L438 VanDerWaalsContact CD2-CD1 3.41Å; F283-L438 HydrophobicContact CE2-CD1 3.68Å; F283-L438 HydrophobicContact CG-CD1 4.3Å; F283-I441 HydrophobicContact CB-CD1 4.17Å; F283-I441 HydrophobicContact CB-CG2 4.31Å
284	L	88.1	Confident	88.8	Confident	47 Å²	47	45.2 Å²	45.2	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-44.1	179.4	-69.6	171	0	0	0	111.7	L168 L171 L280 N281 G288	L168-L284 HydrophobicContact CD1-CD2 4.41Å; L171-L284 HydrophobicContact CD1-CB 4.31Å; L280-L284 HydrophobicContact CD1-CD1 4.48Å; L280-L284 HydrophobicContact CD1-CG 4.49Å; L280-L284 HydrophobicContact CG-CD1 4.27Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.05Å; N281-L284 PolarHBondContact O-N 2.91Å; N281-L284 VanDerWaalsContact O-N 3.1Å; L284-G288 PolarHBondContact O-N 2.79Å
285	W	89.8	Confident	88.8	Confident	38 Å²	38	43 Å²	43	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-56.1	177.1	-85.5	92.4	0	0	0	112.8	L171 E219 N281 L282 F283 L287 G288 R289	L171-W285 HydrophobicContact CD1-CB 4.33Å; L171-W285 HydrophobicContact CD1-CD2 3.7Å; L171-W285 HydrophobicContact CD1-CE3 4.37Å; L171-W285 HydrophobicContact CD1-CG 3.66Å; L171-W285 HydrophobicContact CD1-CZ2 4.44Å; L171-W285 HydrophobicContact CG-CD2 4.02Å; L171-W285 HydrophobicContact CG-CE3 4.19Å; L171-W285 HydrophobicContact CG-CG 4.39Å; E219-W285 HydrophobicContact CB-CH2 3.61Å; E219-W285 HydrophobicContact CB-CZ2 4.35Å; E219-W285 HydrophobicContact CB-CZ3 4.46Å; E219-W285 HydrophobicContact CG-CH2 3.52Å; E219-W285 HydrophobicContact CG-CZ3 3.96Å; N281-W285 PolarHBondContact O-N 3Å; N281-W285 PolarHBondContact OD1-NE1 3.34Å; L282-W285 PolarHBondContact O-N 3.34Å; F283-W285 PolarHBondContact O-N 2.85Å; W285-L287 VanDerWaalsContact C-N 3.33Å; W285-L287 PolarHBondContact O-N 3.24Å; W285-G288 PolarHBondContact O-N 3.21Å; W285-R289 VanDerWaalsContact O-CB 3.23Å; W285-R289 WeakPolarHBondContact O-CB 3.21Å; W285-R289 PolarHBondContact O-N 2.87Å
286	Y	90.8	Very high	88.8	Confident	68 Å²	68	43.6 Å²	43.6	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-73.6	-25.9	-176.1	-76.2	-72.7	0	0	0	113	L282 G290 A434 V437	L282-Y286 HydrophobicContact CB-CD2 4.38Å; L282-Y286 HydrophobicContact CD2-CD2 4.32Å; L282-Y286 HydrophobicContact CD2-CE2 3.82Å; L282-Y286 WeakPolarHBondContact O-CB 3.4Å; L282-Y286 VanDerWaalsContact O-CD2 3.25Å; L282-Y286 WeakPolarHBondContact O-CD2 3.47Å; L282-Y286 PolarHBondContact O-N 2.84Å; Y286-G290 WeakPolarHBondContact O-CA 3.31Å; Y286-G290 PolarHBondContact O-N 3.09Å; Y286-A434 HydrophobicContact CD1-CB 3.83Å; Y286-V437 HydrophobicContact CD1-CB 4.34Å; Y286-V437 HydrophobicContact CD2-CB 4.07Å; Y286-V437 HydrophobicContact CD2-CG1 3.46Å; Y286-V437 VanDerWaalsContact CD2-CG1 3.46Å; Y286-V437 HydrophobicContact CE1-CB 4.35Å; Y286-V437 HydrophobicContact CE1-CG2 4.29Å; Y286-V437 HydrophobicContact CE2-CB 4.13Å; Y286-V437 HydrophobicContact CE2-CG1 3.52Å; Y286-V437 HydrophobicContact CE2-CG2 4.34Å; Y286-V437 HydrophobicContact CG-CB 4.18Å; Y286-V437 HydrophobicContact CG-CG1 4.04Å
287	L	89.3	Confident	88.8	Confident	67 Å²	67	43.4 Å²	43.4	35%	0.351	23%	0.226	S	C	.	.	H	α-helix	trans	-67.2	-50.5	169.9	-175.2	70.2	0	0	0	110.9	F283 W285 G290 L291 L438	F283-L287 HydrophobicContact CE1-CD2 3.9Å; F283-L287 HydrophobicContact CZ-CD2 4.02Å; F283-L287 WeakPolarHBondContact O-CB 3.42Å; F283-L287 PolarHBondContact O-N 3.28Å; W285-L287 VanDerWaalsContact C-N 3.33Å; W285-L287 PolarHBondContact O-N 3.24Å; L287-G290 PolarHBondContact O-N 2.87Å; L287-L291 HydrophobicContact CG-CD1 4.38Å; L287-L291 WeakPolarHBondContact O-CG 3.24Å; L287-L291 PolarHBondContact O-N 3.43Å; L287-L438 HydrophobicContact CB-CD1 4.44Å; L287-L438 HydrophobicContact CD1-CD2 4.25Å
288	G	87.9	Confident	88.7	Confident	12 Å²	12	46.9 Å²	46.9	12%	0.124	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-47.7	177.5	0	0	0	0	0	112	L284 W285 L291 C292	L284-G288 PolarHBondContact O-N 2.79Å; W285-G288 PolarHBondContact O-N 3.21Å; G288-L291 PolarHBondContact O-N 3.11Å; G288-C292 PolarHBondContact O-N 3.45Å; G288-C292 PolarHBondContact O-SG 2.66Å
289	R	88.9	Confident	88.5	Confident	50 Å²	50	52.4 Å²	52.4	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-43.9	176	-173.2	174.4	-178.8	138.5	7.4	112.2	E178 M179 W285 L291 C292 L293	E178-R289 VanDerWaalsContact CD-NH1 3.32Å; E178-R289 IonicContact OE1-CZ 3.64Å; E178-R289 IonicContact OE1-NH1 2.86Å; E178-R289 PolarHBondContact OE1-NH1 3.49Å; E178-R289 IonicContact OE1-NH2 2.65Å; E178-R289 IonicContact OE2-CZ 3.39Å; E178-R289 IonicContact OE2-NE 3.38Å; E178-R289 IonicContact OE2-NH1 3.13Å; E178-R289 PolarHBondContact OE2-NH1 3.5Å; M179-R289 HydrophobicContact CE-CG 3.93Å; W285-R289 VanDerWaalsContact O-CB 3.23Å; W285-R289 WeakPolarHBondContact O-CB 3.21Å; W285-R289 PolarHBondContact O-N 2.87Å; R289-L291 PolarHBondContact O-N 3.36Å; R289-C292 PolarHBondContact O-N 2.82Å; R289-L293 HydrophobicContact CG-CD1 3.79Å; R289-L293 HydrophobicContact CG-CG 4.38Å; R289-L293 VanDerWaalsContact O-CB 3.29Å; R289-L293 WeakPolarHBondContact O-CB 3.27Å; R289-L293 WeakPolarHBondContact O-CD1 3.47Å; R289-L293 VanDerWaalsContact O-CG 3.26Å; R289-L293 WeakPolarHBondContact O-CG 3.44Å; R289-L293 PolarHBondContact O-N 3.15Å
290	G	89.2	Confident	88.1	Confident	11 Å²	11	51.5 Å²	51.5	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-42.6	177.8	0	0	0	0	0	112.7	Y286 L287 L294	Y286-G290 WeakPolarHBondContact O-CA 3.31Å; Y286-G290 PolarHBondContact O-N 3.09Å; L287-G290 PolarHBondContact O-N 2.87Å; G290-L294 VanDerWaalsContact O-CB 3.3Å; G290-L294 WeakPolarHBondContact O-CB 3.44Å; G290-L294 PolarHBondContact O-N 2.95Å
291	L	88.7	Confident	87.9	Confident	107 Å²	107	50.5 Å²	50.5	56%	0.56	26%	0.263	S	S	*	.	H	α-helix	trans	-66.4	-43.4	176.2	-69.7	172.5	0	0	0	112.1	L287 G288 R289 L294 A295	L287-L291 HydrophobicContact CG-CD1 4.38Å; L287-L291 WeakPolarHBondContact O-CG 3.24Å; L287-L291 PolarHBondContact O-N 3.43Å; G288-L291 PolarHBondContact O-N 3.11Å; R289-L291 PolarHBondContact O-N 3.36Å; L291-L294 PolarHBondContact O-N 2.98Å; L291-A295 PolarHBondContact O-N 3.24Å; L291-A295 VanDerWaalsContact O-N 3.07Å
292	C	88.6	Confident	87.6	Confident	18 Å²	18	55 Å²	55	12%	0.122	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-49	176.3	-66	0	0	0	0	111.1	C175 M179 G288 R289 L294 A295 F296	C175-C292 HydrophobicContact CB-CB 4.4Å; M179-C292 HydrophobicContact CG-CB 4.4Å; G288-C292 PolarHBondContact O-N 3.45Å; G288-C292 PolarHBondContact O-SG 2.66Å; R289-C292 PolarHBondContact O-N 2.82Å; C292-L294 VanDerWaalsContact C-N 3.33Å; C292-L294 PolarHBondContact O-N 2.89Å; C292-A295 WeakPolarHBondContact O-CB 3.44Å; C292-A295 PolarHBondContact O-N 2.83Å; C292-A295 VanDerWaalsContact O-N 3.14Å; C292-F296 VanDerWaalsContact O-CD2 3.27Å; C292-F296 WeakPolarHBondContact O-CD2 3.44Å; C292-F296 PolarHBondContact O-N 3.07Å
293	L	90	Very high	87.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-46	176.8	-79.8	166.2	0	0	0	112	M179 R289 A295 F296 M297 Y427 Q430 F431 A434	M179-L293 HydrophobicContact CE-CD2 4.15Å; M179-L293 HydrophobicContact CE-CG 4.11Å; M179-L293 HydrophobicContact SD-CD2 3.18Å; M179-L293 WeakPolarHBondContact SD-CD2 3.32Å; M179-L293 HydrophobicContact SD-CG 3.52Å; M179-L293 VanDerWaalsContact SD-CG 3.52Å; R289-L293 HydrophobicContact CG-CD1 3.79Å; R289-L293 HydrophobicContact CG-CG 4.38Å; R289-L293 VanDerWaalsContact O-CB 3.29Å; R289-L293 WeakPolarHBondContact O-CB 3.27Å; R289-L293 WeakPolarHBondContact O-CD1 3.47Å; R289-L293 VanDerWaalsContact O-CG 3.26Å; R289-L293 WeakPolarHBondContact O-CG 3.44Å; R289-L293 PolarHBondContact O-N 3.15Å; L293-A295 VanDerWaalsContact C-N 3.31Å; L293-A295 PolarHBondContact O-N 3.34Å; L293-F296 PolarHBondContact O-N 3.32Å; L293-M297 WeakPolarHBondContact O-CB 3.39Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.23Å; L293-M297 PolarHBondContact O-N 2.9Å; L293-Y427 HydrophobicContact CD2-CD1 3.6Å; L293-Y427 HydrophobicContact CD2-CE1 4.45Å; L293-Y427 HydrophobicContact CD2-CG 4.34Å; L293-Q430 HydrophobicContact CD1-CB 3.95Å; L293-Q430 HydrophobicContact CD2-CB 4.04Å; L293-F431 HydrophobicContact CB-CB 4.27Å; L293-F431 HydrophobicContact CB-CD2 4.01Å; L293-F431 HydrophobicContact CD1-CB 4.2Å; L293-A434 HydrophobicContact CD1-CB 4.39Å
294	L	89	Confident	86.7	Confident	51 Å²	51	54.6 Å²	54.6	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-42.8	177.7	-173.4	70.1	0	0	0	111.4	G290 L291 C292 M297 I298 T305 F431	G290-L294 VanDerWaalsContact O-CB 3.3Å; G290-L294 WeakPolarHBondContact O-CB 3.44Å; G290-L294 PolarHBondContact O-N 2.95Å; L291-L294 PolarHBondContact O-N 2.98Å; C292-L294 VanDerWaalsContact C-N 3.33Å; C292-L294 PolarHBondContact O-N 2.89Å; L294-M297 PolarHBondContact O-N 3.27Å; L294-I298 HydrophobicContact CG-CD1 4.15Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.47Å; L294-I298 PolarHBondContact O-N 3.3Å; L294-T305 HydrophobicContact CD1-CG2 4.25Å; L294-F431 HydrophobicContact CB-CE2 4.2Å; L294-F431 HydrophobicContact CD1-CE2 4.4Å; L294-F431 HydrophobicContact CD1-CZ 4.03Å
295	A	88.1	Confident	86.6	Confident	59 Å²	59	52.7 Å²	52.7	49%	0.488	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-45.4	177	0	0	0	0	0	112.3	L291 C292 L293 I298 W299	L291-A295 PolarHBondContact O-N 3.24Å; L291-A295 VanDerWaalsContact O-N 3.07Å; C292-A295 WeakPolarHBondContact O-CB 3.44Å; C292-A295 PolarHBondContact O-N 2.83Å; C292-A295 VanDerWaalsContact O-N 3.14Å; L293-A295 VanDerWaalsContact C-N 3.31Å; L293-A295 PolarHBondContact O-N 3.34Å; A295-I298 PolarHBondContact O-N 2.88Å; A295-W299 PolarHBondContact O-N 3.08Å
296	F	86.8	Confident	86.4	Confident	43 Å²	43	54.2 Å²	54.2	19%	0.189	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-36.2	176.6	-81.5	-78.2	0	0	0	113	L176 M179 C292 L293 W299 G300 Y427	L176-F296 HydrophobicContact CD2-CE2 4.03Å; L176-F296 HydrophobicContact CD2-CZ 4.31Å; M179-F296 HydrophobicContact CB-CD2 3.9Å; M179-F296 HydrophobicContact CB-CE2 3.71Å; M179-F296 HydrophobicContact CB-CZ 4.24Å; M179-F296 HydrophobicContact CG-CD2 3.86Å; M179-F296 HydrophobicContact CG-CE2 3.92Å; C292-F296 VanDerWaalsContact O-CD2 3.27Å; C292-F296 WeakPolarHBondContact O-CD2 3.44Å; C292-F296 PolarHBondContact O-N 3.07Å; L293-F296 PolarHBondContact O-N 3.32Å; F296-W299 AromaticContact CD1-CE3 3.92Å; F296-W299 HydrophobicContact CD1-CE3 3.92Å; F296-W299 HydrophobicContact CD1-CZ3 4.28Å; F296-W299 HydrophobicContact CE1-CE3 4.1Å; F296-W299 HydrophobicContact CE1-CZ3 4.04Å; F296-W299 PolarHBondContact O-N 3.28Å; F296-G300 PolarHBondContact O-N 2.94Å; F296-Y427 HydrophobicContact CB-CD2 4.44Å; F296-Y427 HydrophobicContact CB-CE1 4.21Å; F296-Y427 HydrophobicContact CB-CE2 4.05Å; F296-Y427 HydrophobicContact CG-CE1 4.5Å
297	M	86.1	Confident	86.1	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-45.1	175.1	-73.8	177.6	68.6	0	0	111.5	L293 L294 W299 G300 S301 T305 T308 F424 Q428 F431	L293-M297 WeakPolarHBondContact O-CB 3.39Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.23Å; L293-M297 PolarHBondContact O-N 2.9Å; L294-M297 PolarHBondContact O-N 3.27Å; M297-W299 VanDerWaalsContact C-N 3.28Å; M297-W299 PolarHBondContact O-N 3.13Å; M297-G300 PolarHBondContact O-N 3.24Å; M297-S301 PolarHBondContact O-N 3.07Å; M297-T305 HydrophobicContact CB-CG2 4.19Å; M297-T305 PolarHBondContact O-OG1 3.27Å; M297-T308 HydrophobicContact CE-CG2 3.96Å; M297-T308 WeakPolarHBondContact CE-OG1 3.46Å; M297-F424 HydrophobicContact CB-CE2 4.23Å; M297-F424 HydrophobicContact CE-CE1 4.43Å; M297-F424 HydrophobicContact CE-CE2 3.83Å; M297-F424 HydrophobicContact CE-CZ 3.62Å; M297-F424 HydrophobicContact CG-CE2 4.37Å; M297-Q428 HydrophobicContact CE-CB 4.05Å; M297-Q428 HydrophobicContact CE-CG 4.37Å; M297-F431 HydrophobicContact SD-CB 3.86Å; M297-F431 HydrophobicContact SD-CD1 4.1Å; M297-F431 HydrophobicContact SD-CG 3.99Å
298	I	87	Confident	85.8	Confident	85 Å²	85	49.5 Å²	49.5	44%	0.436	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-41.6	175.5	-68	167.3	0	0	0	110.5	L294 A295 F302 T305	L294-I298 HydrophobicContact CG-CD1 4.15Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.47Å; L294-I298 PolarHBondContact O-N 3.3Å; A295-I298 PolarHBondContact O-N 2.88Å; I298-F302 HydrophobicContact CG2-CD2 4.49Å; I298-T305 HydrophobicContact CG1-CG2 3.93Å; I298-T305 PolarHBondContact N-OG1 3.11Å
299	W	85.5	Confident	85.6	Confident	188 Å²	188	53.6 Å²	53.6	71%	0.712	28%	0.277	S	S	*	.	H	α-helix	trans	-66.4	-39.1	178.3	-173.3	28.3	0	0	0	112.8	F183 A295 F296 M297	F183-W299 HydrophobicContact CE2-CZ3 4.44Å; A295-W299 PolarHBondContact O-N 3.08Å; F296-W299 AromaticContact CD1-CE3 3.92Å; F296-W299 HydrophobicContact CD1-CE3 3.92Å; F296-W299 HydrophobicContact CD1-CZ3 4.28Å; F296-W299 HydrophobicContact CE1-CE3 4.1Å; F296-W299 HydrophobicContact CE1-CZ3 4.04Å; F296-W299 PolarHBondContact O-N 3.28Å; M297-W299 VanDerWaalsContact C-N 3.28Å; M297-W299 PolarHBondContact O-N 3.13Å
300	G	79.7	Confident	85.4	Confident	41 Å²	41	57.4 Å²	57.4	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-71.1	-51.5	179.2	0	0	0	0	0	113.6	F296 M297	F296-G300 PolarHBondContact O-N 2.94Å; M297-G300 PolarHBondContact O-N 3.24Å
301	S	82.1	Confident	85	Confident	16 Å²	16	58 Å²	58	11%	0.112	30%	0.303	C	S	.	.			trans	-160.2	114.1	174.9	179.6	0	0	0	0	111.3	M297 Y303 L304 T305	M297-S301 PolarHBondContact O-N 3.07Å; S301-Y303 VanDerWaalsContact C-N 3.33Å; S301-Y303 PolarHBondContact O-N 3.2Å; S301-L304 PolarHBondContact OG-N 3.49Å; S301-T305 WeakPolarHBondContact O-CB 3.37Å; S301-T305 PolarHBondContact O-N 3.16Å; S301-T305 VanDerWaalsContact O-N 3.08Å; S301-T305 PolarHBondContact O-OG1 3.19Å
302	F	82.9	Confident	84.7	Confident	114 Å²	114	53.8 Å²	53.8	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175.9	-177.6	-101.8	0	0	0	112.3	I298 T305 V306	I298-F302 HydrophobicContact CG2-CD2 4.49Å; F302-T305 PolarHBondContact O-N 3.2Å; F302-V306 HydrophobicContact CD1-CG2 4.25Å; F302-V306 HydrophobicContact CE1-CG2 3.79Å; F302-V306 HydrophobicContact CE2-CG2 4.2Å; F302-V306 HydrophobicContact CZ-CG2 3.76Å; F302-V306 WeakPolarHBondContact O-CG2 3.3Å; F302-V306 PolarHBondContact O-N 3.49Å
303	Y	82.1	Confident	84.3	Confident	129 Å²	129	55.6 Å²	55.6	51%	0.506	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-49.1	-177.7	-178.2	-99.2	0	0	0	111.9	S301 T305 V306 V307 L410	S301-Y303 VanDerWaalsContact C-N 3.33Å; S301-Y303 PolarHBondContact O-N 3.2Å; Y303-T305 VanDerWaalsContact C-N 3.29Å; Y303-T305 PolarHBondContact O-N 3.36Å; Y303-V306 PolarHBondContact O-N 3.33Å; Y303-V307 HydrophobicContact CE1-CG2 4.2Å; Y303-V307 WeakPolarHBondContact O-CG2 3.35Å; Y303-V307 PolarHBondContact O-N 2.86Å; Y303-V307 VanDerWaalsContact O-N 3.15Å; Y303-L410 HydrophobicContact CD1-CD1 3.94Å; Y303-L410 HydrophobicContact CD1-CD2 4.02Å; Y303-L410 HydrophobicContact CE1-CD1 3.92Å
304	L	80.8	Confident	83.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-34.8	178.3	-64	173.6	0	0	0	111.1	S301 V307 T308 L410 L421 F424	S301-L304 PolarHBondContact OG-N 3.49Å; L304-V307 WeakPolarHBondContact O-CB 3.38Å; L304-V307 PolarHBondContact O-N 2.86Å; L304-T308 VanDerWaalsContact O-CG2 3.3Å; L304-T308 WeakPolarHBondContact O-CG2 3.44Å; L304-T308 PolarHBondContact O-N 3.28Å; L304-T308 PolarHBondContact O-OG1 3.29Å; L304-L410 HydrophobicContact CD2-CD2 4.42Å; L304-L410 HydrophobicContact CG-CD2 4.21Å; L304-L421 HydrophobicContact CD1-CD1 4.25Å; L304-F424 HydrophobicContact CB-CD1 3.98Å; L304-F424 HydrophobicContact CB-CD2 4.05Å; L304-F424 HydrophobicContact CB-CE1 3.46Å; L304-F424 VanDerWaalsContact CB-CE1 3.46Å; L304-F424 HydrophobicContact CB-CE2 3.52Å; L304-F424 HydrophobicContact CB-CG 4.26Å; L304-F424 HydrophobicContact CB-CZ 3.22Å; L304-F424 HydrophobicContact CD1-CD1 3.87Å; L304-F424 HydrophobicContact CD1-CD2 4.31Å; L304-F424 HydrophobicContact CD1-CE1 4.21Å; L304-F424 HydrophobicContact CD1-CG 3.95Å; L304-F424 HydrophobicContact CG-CE1 4.36Å; L304-F424 HydrophobicContact CG-CZ 4.48Å; L304-F424 WeakPolarHBondContact O-CZ 3.48Å
305	T	85.9	Confident	83.3	Confident	8 Å²	8	60.4 Å²	60.4	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-44.6	175.7	-55.5	0	0	0	0	112	L294 M297 I298 S301 F302 Y303 V307 T308 L309	L294-T305 HydrophobicContact CD1-CG2 4.25Å; M297-T305 HydrophobicContact CB-CG2 4.19Å; M297-T305 PolarHBondContact O-OG1 3.27Å; I298-T305 HydrophobicContact CG1-CG2 3.93Å; I298-T305 PolarHBondContact N-OG1 3.11Å; S301-T305 WeakPolarHBondContact O-CB 3.37Å; S301-T305 PolarHBondContact O-N 3.16Å; S301-T305 VanDerWaalsContact O-N 3.08Å; S301-T305 PolarHBondContact O-OG1 3.19Å; F302-T305 PolarHBondContact O-N 3.2Å; Y303-T305 VanDerWaalsContact C-N 3.29Å; Y303-T305 PolarHBondContact O-N 3.36Å; T305-V307 VanDerWaalsContact C-N 3.33Å; T305-V307 PolarHBondContact O-N 3.49Å; T305-T308 WeakPolarHBondContact CA-OG1 3.44Å; T305-T308 PolarHBondContact O-N 3.38Å; T305-T308 PolarHBondContact O-OG1 2.96Å; T305-L309 PolarHBondContact O-N 3.32Å
306	V	85.6	Confident	82.9	Confident	70 Å²	70	59.5 Å²	59.5	42%	0.424	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-41.8	176.4	173	0	0	0	0	111.2	F302 Y303 T308 L309 L310	F302-V306 HydrophobicContact CD1-CG2 4.25Å; F302-V306 HydrophobicContact CE1-CG2 3.79Å; F302-V306 HydrophobicContact CE2-CG2 4.2Å; F302-V306 HydrophobicContact CZ-CG2 3.76Å; F302-V306 WeakPolarHBondContact O-CG2 3.3Å; F302-V306 PolarHBondContact O-N 3.49Å; Y303-V306 PolarHBondContact O-N 3.33Å; V306-T308 VanDerWaalsContact C-N 3.33Å; V306-T308 PolarHBondContact O-N 3.35Å; V306-L309 PolarHBondContact O-N 3.39Å; V306-L310 WeakPolarHBondContact O-CB 3.5Å; V306-L310 PolarHBondContact O-N 3.39Å
307	V	83.3	Confident	82.5	Confident	32 Å²	32	61.3 Å²	61.3	19%	0.194	31%	0.312	C	S	.	.	H	α-helix	trans	-58.9	-45.5	174.8	172	0	0	0	0	110.9	Y303 L304 T305 L309 L310 S311 L406	Y303-V307 HydrophobicContact CE1-CG2 4.2Å; Y303-V307 WeakPolarHBondContact O-CG2 3.35Å; Y303-V307 PolarHBondContact O-N 2.86Å; Y303-V307 VanDerWaalsContact O-N 3.15Å; L304-V307 WeakPolarHBondContact O-CB 3.38Å; L304-V307 PolarHBondContact O-N 2.86Å; T305-V307 VanDerWaalsContact C-N 3.33Å; T305-V307 PolarHBondContact O-N 3.49Å; V307-L309 PolarHBondContact O-N 2.93Å; V307-L310 PolarHBondContact O-N 3.5Å; V307-S311 WeakPolarHBondContact O-CB 3.46Å; V307-S311 PolarHBondContact O-N 3.35Å; V307-S311 PolarHBondContact O-OG 3.1Å; V307-L406 HydrophobicContact CG1-CD1 3.72Å; V307-L406 HydrophobicContact CG2-CD1 4.38Å
308	T	82.9	Confident	82.2	Confident	4 Å²	4	66 Å²	66	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-44.9	177.6	59.7	0	0	0	0	111.8	M297 L304 T305 V306 L310 S311 L312 I403 F424 Q428	M297-T308 HydrophobicContact CE-CG2 3.96Å; M297-T308 WeakPolarHBondContact CE-OG1 3.46Å; L304-T308 VanDerWaalsContact O-CG2 3.3Å; L304-T308 WeakPolarHBondContact O-CG2 3.44Å; L304-T308 PolarHBondContact O-N 3.28Å; L304-T308 PolarHBondContact O-OG1 3.29Å; T305-T308 WeakPolarHBondContact CA-OG1 3.44Å; T305-T308 PolarHBondContact O-N 3.38Å; T305-T308 PolarHBondContact O-OG1 2.96Å; V306-T308 VanDerWaalsContact C-N 3.33Å; V306-T308 PolarHBondContact O-N 3.35Å; T308-L310 VanDerWaalsContact C-N 3.32Å; T308-L310 PolarHBondContact O-N 2.88Å; T308-S311 PolarHBondContact O-N 3.11Å; T308-S311 VanDerWaalsContact O-N 3.13Å; T308-S311 PolarHBondContact O-OG 3Å; T308-L312 PolarHBondContact O-N 3.28Å; T308-L312 VanDerWaalsContact O-N 3.15Å; T308-I403 HydrophobicContact CG2-CD1 3.61Å; T308-F424 HydrophobicContact CG2-CE1 3.8Å; T308-F424 HydrophobicContact CG2-CZ 3.65Å; T308-Q428 HydrophobicContact CG2-CB 4.48Å; T308-Q428 HydrophobicContact CG2-CG 3.64Å
309	L	84.6	Confident	81.8	Confident	97 Å²	97	62.5 Å²	62.5	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-37.9	179.8	-159	78.2	0	0	0	111.8	T305 V306 V307 S311 L312 P313	T305-L309 PolarHBondContact O-N 3.32Å; V306-L309 PolarHBondContact O-N 3.39Å; V307-L309 PolarHBondContact O-N 2.93Å; L309-S311 VanDerWaalsContact C-N 3.3Å; L309-S311 PolarHBondContact O-N 2.84Å; L309-L312 HydrophobicContact CD1-CD1 4.18Å; L309-L312 PolarHBondContact O-N 3.42Å; L309-P313 WeakPolarHBondContact O-CD 3.21Å
310	L	85.1	Confident	81.5	Confident	130 Å²	130	59.8 Å²	59.8	68%	0.681	31%	0.309	S	S	*	.	H	α-helix	trans	-69.2	-29.3	176.7	-170.4	65.1	0	0	0	112.5	V306 V307 T308 P313	V306-L310 WeakPolarHBondContact O-CB 3.5Å; V306-L310 PolarHBondContact O-N 3.39Å; V307-L310 PolarHBondContact O-N 3.5Å; T308-L310 VanDerWaalsContact C-N 3.32Å; T308-L310 PolarHBondContact O-N 2.88Å; L310-P313 WeakPolarHBondContact O-CD 3.49Å
311	S	81.2	Confident	81.6	Confident	24 Å²	24	66.5 Å²	66.5	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-80.1	-24.2	178.3	74.1	0	0	0	0	114.3	V307 T308 L309 M314 L315 L399	V307-S311 WeakPolarHBondContact O-CB 3.46Å; V307-S311 PolarHBondContact O-N 3.35Å; V307-S311 PolarHBondContact O-OG 3.1Å; T308-S311 PolarHBondContact O-N 3.11Å; T308-S311 VanDerWaalsContact O-N 3.13Å; T308-S311 PolarHBondContact O-OG 3Å; L309-S311 VanDerWaalsContact C-N 3.3Å; L309-S311 PolarHBondContact O-N 2.84Å; S311-M314 WeakPolarHBondContact O-CB 3.37Å; S311-M314 PolarHBondContact O-N 3.04Å; S311-M314 VanDerWaalsContact O-N 3.11Å; S311-L315 PolarHBondContact O-N 3.29Å; S311-L399 VanDerWaalsContact CB-CD1 3.46Å; S311-L399 WeakPolarHBondContact OG-CD1 3.23Å
312	L	81.8	Confident	81.5	Confident	19 Å²	19	68.4 Å²	68.4	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-47.1	-179.1	-72.8	173.7	0	0	0	113.3	T308 L309 M314 L315 F316 F431	T308-L312 PolarHBondContact O-N 3.28Å; T308-L312 VanDerWaalsContact O-N 3.15Å; L309-L312 HydrophobicContact CD1-CD1 4.18Å; L309-L312 PolarHBondContact O-N 3.42Å; L312-M314 PolarHBondContact O-N 3.26Å; L312-L315 PolarHBondContact O-N 3.48Å; L312-L315 VanDerWaalsContact O-N 3.14Å; L312-F316 HydrophobicContact CB-CD2 4.42Å; L312-F316 HydrophobicContact CB-CE2 4.3Å; L312-F316 HydrophobicContact CD2-CE2 3.81Å; L312-F316 WeakPolarHBondContact O-CD2 3.43Å; L312-F316 PolarHBondContact O-N 3.25Å; L312-F431 HydrophobicContact CD1-CE1 3.78Å; L312-F431 HydrophobicContact CD1-CZ 4.43Å
313	P	79.8	Confident	81.4	Confident	55 Å²	55	63.2 Å²	63.2	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-56.4	-38.1	175.6	-25.9	33.5	0	0	0	112.8	L130 L309 L310 L317	L130-P313 HydrophobicContact CD1-CG 3.97Å; L309-P313 WeakPolarHBondContact O-CD 3.21Å; L310-P313 WeakPolarHBondContact O-CD 3.49Å; P313-L317 WeakPolarHBondContact O-CB 3.39Å; P313-L317 PolarHBondContact O-N 2.82Å
314	M	78.1	Confident	81.5	Confident	143 Å²	143	63.4 Å²	63.4	70%	0.704	31%	0.313	S	S	*	.	H	α-helix	trans	-68.7	-41.2	178.2	-171.6	169.5	-178	0	0	111.4	S311 L312 F316	S311-M314 WeakPolarHBondContact O-CB 3.37Å; S311-M314 PolarHBondContact O-N 3.04Å; S311-M314 VanDerWaalsContact O-N 3.11Å; L312-M314 PolarHBondContact O-N 3.26Å; M314-F316 VanDerWaalsContact C-N 3.35Å; M314-F316 PolarHBondContact O-N 2.94Å
315	L	80.6	Confident	81.7	Confident	9 Å²	9	67 Å²	67	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-39.1	177.9	-170.8	147.4	0	0	0	112.1	S311 L312 P319 M392 L399 T432	S311-L315 PolarHBondContact O-N 3.29Å; L312-L315 PolarHBondContact O-N 3.48Å; L312-L315 VanDerWaalsContact O-N 3.14Å; L315-P319 WeakPolarHBondContact O-CD 3.28Å; L315-P319 WeakPolarHBondContact O-CG 3.4Å; L315-M392 HydrophobicContact CD2-CE 4.08Å; L315-M392 HydrophobicContact CD2-SD 4.48Å; L315-L399 HydrophobicContact CD1-CB 4.37Å; L315-L399 HydrophobicContact CD1-CD2 3.43Å; L315-L399 VanDerWaalsContact CD1-CD2 3.43Å; L315-T432 HydrophobicContact CD1-CG2 3.92Å; L315-T432 HydrophobicContact CD2-CG2 4.39Å
316	F	78.2	Confident	81.7	Confident	41 Å²	41	69.6 Å²	69.6	18%	0.18	34%	0.344	C	S	.	.	H	α-helix	trans	-93	-27.7	-177	-64.8	-64	0	0	0	115	L312 M314 L318 R320 M392 V435 E436 L439	L312-F316 HydrophobicContact CB-CD2 4.42Å; L312-F316 HydrophobicContact CB-CE2 4.3Å; L312-F316 HydrophobicContact CD2-CE2 3.81Å; L312-F316 WeakPolarHBondContact O-CD2 3.43Å; L312-F316 PolarHBondContact O-N 3.25Å; M314-F316 VanDerWaalsContact C-N 3.35Å; M314-F316 PolarHBondContact O-N 2.94Å; F316-L318 PolarHBondContact O-N 2.73Å; F316-R320 WeakPolarHBondContact O-CB 3.39Å; F316-R320 PolarHBondContact O-N 3.38Å; F316-R320 VanDerWaalsContact O-N 3.12Å; F316-M392 HydrophobicContact CE1-CE 4.46Å; F316-V435 HydrophobicContact CE2-CB 4.44Å; F316-V435 HydrophobicContact CE2-CG1 3.54Å; F316-V435 HydrophobicContact CZ-CB 4.27Å; F316-V435 HydrophobicContact CZ-CG1 3.7Å; F316-E436 HydrophobicContact CE1-CB 4.16Å; F316-E436 HydrophobicContact CZ-CB 4.38Å; F316-L439 HydrophobicContact CB-CD1 4.45Å; F316-L439 HydrophobicContact CD1-CD1 3.64Å; F316-L439 HydrophobicContact CD2-CD1 3.65Å; F316-L439 HydrophobicContact CE1-CD1 3.67Å; F316-L439 HydrophobicContact CE2-CD1 3.67Å; F316-L439 HydrophobicContact CG-CD1 3.64Å; F316-L439 HydrophobicContact CZ-CD1 3.69Å
317	L	79.9	Confident	81.7	Confident	81 Å²	81	72.3 Å²	72.3	42%	0.424	35%	0.352	S	S	.	.	H	α-helix	trans	-67.3	-39	-173.5	-171.8	72.8	0	0	0	112.5	P313 R321	P313-L317 WeakPolarHBondContact O-CB 3.39Å; P313-L317 PolarHBondContact O-N 2.82Å; L317-R321 PolarHBondContact O-N 3.18Å
318	L	78.4	Confident	81.9	Confident	98 Å²	98	73.5 Å²	73.5	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-71.8	-52.4	-177.3	-175.7	73	0	0	0	111.8	F316 R320 R321 L322 T391	F316-L318 PolarHBondContact O-N 2.73Å; L318-R320 VanDerWaalsContact C-N 3.27Å; L318-R320 PolarHBondContact O-N 3.04Å; L318-R321 PolarHBondContact O-N 3.06Å; L318-L322 PolarHBondContact O-N 3.27Å; L318-T391 HydrophobicContact CD2-CG2 3.54Å; L318-T391 HydrophobicContact CG-CG2 3.74Å
319	P	78.4	Confident	82.2	Confident	12 Å²	12	74.9 Å²	74.9	8%	0.078	37%	0.369	C	S	.	.	H	α-helix	trans	-57.7	-39	173.6	-25.2	35.5	0	0	0	112.6	L315 R321 L322 G323 M392	L315-P319 WeakPolarHBondContact O-CD 3.28Å; L315-P319 WeakPolarHBondContact O-CG 3.4Å; P319-R321 VanDerWaalsContact C-N 3.3Å; P319-R321 PolarHBondContact O-N 3.46Å; P319-L322 PolarHBondContact O-N 3.27Å; P319-L322 VanDerWaalsContact O-N 3.17Å; P319-G323 PolarHBondContact O-N 2.87Å; P319-M392 HydrophobicContact CB-SD 4.11Å; P319-M392 HydrophobicContact CG-SD 3.71Å
320	R	80.2	Confident	82.4	Confident	131 Å²	131	71.4 Å²	71.4	49%	0.494	35%	0.354	S	S	.	.	H	α-helix	trans	-59	-37.3	179.5	-177	-176.9	179.1	117.6	7	113.6	F137 F316 L318 K324	F137-R320 VanDerWaalsContact CE1-NH2 3.34Å; F316-R320 WeakPolarHBondContact O-CB 3.39Å; F316-R320 PolarHBondContact O-N 3.38Å; F316-R320 VanDerWaalsContact O-N 3.12Å; L318-R320 VanDerWaalsContact C-N 3.27Å; L318-R320 PolarHBondContact O-N 3.04Å; R320-K324 PolarHBondContact O-N 3.47Å
321	R	80.8	Confident	82.6	Confident	182 Å²	182	69.6 Å²	69.6	69%	0.687	35%	0.348	S	S	*	.	H	α-helix	trans	-69.6	-40.4	178.8	-74.6	-166.9	179.7	-176.3	1.2	111.5	L317 L318 P319	L317-R321 PolarHBondContact O-N 3.18Å; L318-R321 PolarHBondContact O-N 3.06Å; P319-R321 VanDerWaalsContact C-N 3.3Å; P319-R321 PolarHBondContact O-N 3.46Å
322	L	81.5	Confident	83.1	Confident	56 Å²	56	74.1 Å²	74.1	29%	0.293	37%	0.365	S	S	.	.	H	α-helix	trans	-71.5	-40.4	178.1	-65.1	170.4	0	0	0	111.6	L318 P319 K324 V325 Y326 I387 T391	L318-L322 PolarHBondContact O-N 3.27Å; P319-L322 PolarHBondContact O-N 3.27Å; P319-L322 VanDerWaalsContact O-N 3.17Å; L322-K324 PolarHBondContact O-N 3.06Å; L322-V325 WeakPolarHBondContact O-CA 3.38Å; L322-V325 WeakPolarHBondContact O-CB 3.3Å; L322-V325 PolarHBondContact O-N 2.88Å; L322-Y326 PolarHBondContact O-N 3.34Å; L322-Y326 VanDerWaalsContact O-N 3.07Å; L322-I387 HydrophobicContact CD1-CG2 4.22Å; L322-I387 HydrophobicContact CD2-CG2 4.37Å; L322-T391 HydrophobicContact CD1-CG2 3.64Å; L322-T391 VanDerWaalsContact CD1-OG1 3.22Å; L322-T391 WeakPolarHBondContact CD1-OG1 3.39Å
323	G	81.1	Confident	83.5	Confident	6 Å²	6	73.8 Å²	73.8	6%	0.062	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-30.5	176.5	0	0	0	0	0	113.2	P319 V325 Y326 Q327	P319-G323 PolarHBondContact O-N 2.87Å; G323-V325 VanDerWaalsContact C-N 3.34Å; G323-V325 PolarHBondContact O-N 3.04Å; G323-Y326 PolarHBondContact O-N 3.35Å; G323-Q327 WeakPolarHBondContact O-CB 3.32Å; G323-Q327 VanDerWaalsContact O-CG 3.29Å; G323-Q327 WeakPolarHBondContact O-CG 3.49Å; G323-Q327 PolarHBondContact O-N 3.41Å
324	K	83	Confident	84	Confident	132 Å²	132	77.8 Å²	77.8	57%	0.574	38%	0.378	S	S	*	.	H	α-helix	trans	-63.5	-39	171.6	-76.4	-172.9	176.1	-167.8	0	112.8	R320 L322 S328	R320-K324 PolarHBondContact O-N 3.47Å; L322-K324 PolarHBondContact O-N 3.06Å; K324-S328 WeakPolarHBondContact O-CB 3.43Å; K324-S328 PolarHBondContact O-N 3.1Å
325	V	85.5	Confident	84.6	Confident	78 Å²	78	75.9 Å²	75.9	47%	0.473	37%	0.367	S	S	.	.	H	α-helix	trans	-66.6	-48.8	177.4	-179.7	0	0	0	0	108.6	L322 G323 Q327 S328 L329	L322-V325 WeakPolarHBondContact O-CA 3.38Å; L322-V325 WeakPolarHBondContact O-CB 3.3Å; L322-V325 PolarHBondContact O-N 2.88Å; G323-V325 VanDerWaalsContact C-N 3.34Å; G323-V325 PolarHBondContact O-N 3.04Å; V325-Q327 PolarHBondContact O-N 3.18Å; V325-S328 PolarHBondContact O-N 3.5Å; V325-S328 PolarHBondContact O-OG 2.97Å; V325-L329 HydrophobicContact CG1-CD1 3.93Å; V325-L329 WeakPolarHBondContact O-CD1 3.41Å; V325-L329 PolarHBondContact O-N 3.42Å; V325-L329 VanDerWaalsContact O-N 3.12Å
326	Y	86.4	Confident	85.1	Confident	62 Å²	62	76.4 Å²	76.4	24%	0.243	37%	0.371	C	S	.	.	H	α-helix	trans	-53.7	-52.8	174.6	169.4	-112.8	0	0	0	112.2	L322 G323 S328 L329 A330 E381 A384 Y385 E388	L322-Y326 PolarHBondContact O-N 3.34Å; L322-Y326 VanDerWaalsContact O-N 3.07Å; G323-Y326 PolarHBondContact O-N 3.35Å; Y326-S328 VanDerWaalsContact C-N 3.3Å; Y326-S328 PolarHBondContact O-N 2.71Å; Y326-L329 PolarHBondContact O-N 3.03Å; Y326-A330 PolarHBondContact O-N 3.49Å; Y326-E381 HydrophobicContact CD2-CG 4.04Å; Y326-E381 HydrophobicContact CE2-CG 3.65Å; Y326-A384 HydrophobicContact CD2-CB 4.45Å; Y326-Y385 HydrophobicContact CE2-CD2 4.31Å; Y326-E388 WeakPolarHBondContact CB-OE2 3.44Å; Y326-E388 WeakPolarHBondContact CD1-OE2 3.28Å; Y326-E388 VanDerWaalsContact CG-OE2 3.3Å
327	Q	83.9	Confident	85.8	Confident	126 Å²	126	78.4 Å²	78.4	59%	0.589	38%	0.383	S	S	*	.	H	α-helix	trans	-56.1	-41.8	178	-76.3	178.2	-4.7	0	0	112.7	G323 V325 L329 A330 V331	G323-Q327 WeakPolarHBondContact O-CB 3.32Å; G323-Q327 VanDerWaalsContact O-CG 3.29Å; G323-Q327 WeakPolarHBondContact O-CG 3.49Å; G323-Q327 PolarHBondContact O-N 3.41Å; V325-Q327 PolarHBondContact O-N 3.18Å; Q327-L329 VanDerWaalsContact C-N 3.3Å; Q327-L329 PolarHBondContact O-N 3.28Å; Q327-A330 PolarHBondContact O-N 3.39Å; Q327-V331 WeakPolarHBondContact O-CG2 3.13Å; Q327-V331 PolarHBondContact O-N 3.48Å
328	S	88.6	Confident	86.3	Confident	57 Å²	57	77.2 Å²	77.2	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-30.9	178.8	75.9	0	0	0	0	113.3	K324 V325 Y326 K332	K324-S328 WeakPolarHBondContact O-CB 3.43Å; K324-S328 PolarHBondContact O-N 3.1Å; V325-S328 PolarHBondContact O-N 3.5Å; V325-S328 PolarHBondContact O-OG 2.97Å; Y326-S328 VanDerWaalsContact C-N 3.3Å; Y326-S328 PolarHBondContact O-N 2.71Å; S328-K332 WeakPolarHBondContact O-CG 3.19Å
329	L	88.9	Confident	86.8	Confident	34 Å²	34	77.4 Å²	77.4	18%	0.178	38%	0.382	C	S	.	.	H	α-helix	trans	-76	-43.4	174.3	-88.1	79.1	0	0	0	110.9	V325 Y326 Q327 V331 K332 V333 K380 E381	V325-L329 HydrophobicContact CG1-CD1 3.93Å; V325-L329 WeakPolarHBondContact O-CD1 3.41Å; V325-L329 PolarHBondContact O-N 3.42Å; V325-L329 VanDerWaalsContact O-N 3.12Å; Y326-L329 PolarHBondContact O-N 3.03Å; Q327-L329 VanDerWaalsContact C-N 3.3Å; Q327-L329 PolarHBondContact O-N 3.28Å; L329-V331 VanDerWaalsContact C-N 3.28Å; L329-V331 PolarHBondContact O-N 2.89Å; L329-K332 WeakPolarHBondContact O-CB 3.21Å; L329-K332 PolarHBondContact O-N 3.09Å; L329-V333 WeakPolarHBondContact O-CG2 3.48Å; L329-V333 PolarHBondContact O-N 3Å; L329-K380 VanDerWaalsContact CD2-C 3.42Å; L329-K380 HydrophobicContact CD2-CB 3.47Å; L329-K380 VanDerWaalsContact CD2-CB 3.47Å; L329-E381 HydrophobicContact CB-CB 4.28Å
330	A	88.4	Confident	87.5	Confident	23 Å²	23	76.9 Å²	76.9	19%	0.19	38%	0.379	C	S	.	.	H	α-helix	trans	-56.7	-41.7	177.6	0	0	0	0	0	111.8	Y326 Q327 K332 V333 Q334	Y326-A330 PolarHBondContact O-N 3.49Å; Q327-A330 PolarHBondContact O-N 3.39Å; A330-K332 PolarHBondContact O-N 3.07Å; A330-V333 PolarHBondContact O-N 2.89Å; A330-Q334 WeakPolarHBondContact O-CB 3.48Å; A330-Q334 PolarHBondContact O-N 3.43Å
331	V	89.8	Confident	88.1	Confident	92 Å²	92	74 Å²	74	56%	0.558	38%	0.375	S	S	*	.	H	α-helix	trans	-60.7	-43.2	174.8	171.6	0	0	0	0	111.9	Q327 L329 V333 Q334 E335	Q327-V331 WeakPolarHBondContact O-CG2 3.13Å; Q327-V331 PolarHBondContact O-N 3.48Å; L329-V331 VanDerWaalsContact C-N 3.28Å; L329-V331 PolarHBondContact O-N 2.89Å; V331-V333 VanDerWaalsContact C-N 3.35Å; V331-Q334 PolarHBondContact O-N 3.47Å; V331-E335 PolarHBondContact O-N 3.4Å
332	K	90.9	Very high	88.6	Confident	120 Å²	120	71.5 Å²	71.5	52%	0.522	37%	0.372	S	S	.	.	H	α-helix	trans	-67.4	-36.7	178.4	-67	174.9	179.7	179.4	0	112.1	S328 L329 A330 E335 S336 L377	S328-K332 WeakPolarHBondContact O-CG 3.19Å; L329-K332 WeakPolarHBondContact O-CB 3.21Å; L329-K332 PolarHBondContact O-N 3.09Å; A330-K332 PolarHBondContact O-N 3.07Å; K332-E335 PolarHBondContact O-N 2.66Å; K332-S336 WeakPolarHBondContact O-CB 3.3Å; K332-S336 PolarHBondContact O-N 3.43Å; K332-L377 HydrophobicContact CB-CD2 3.63Å
333	V	91.9	Very high	89.1	Confident	12 Å²	12	69.6 Å²	69.6	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-42.9	175	172.9	0	0	0	0	110.4	L329 A330 V331 S336 L337 M374 L377 E381	L329-V333 WeakPolarHBondContact O-CG2 3.48Å; L329-V333 PolarHBondContact O-N 3Å; A330-V333 PolarHBondContact O-N 2.89Å; V331-V333 VanDerWaalsContact C-N 3.35Å; V333-S336 PolarHBondContact O-N 2.93Å; V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 PolarHBondContact O-N 3.48Å; V333-M374 HydrophobicContact CG1-CE 3.4Å; V333-M374 VanDerWaalsContact CG1-CE 3.4Å; V333-L377 HydrophobicContact CG2-CB 3.72Å; V333-E381 VanDerWaalsContact CB-OE2 3.25Å; V333-E381 WeakPolarHBondContact CB-OE2 3.3Å; V333-E381 VanDerWaalsContact CG1-OE2 3.31Å; V333-E381 WeakPolarHBondContact CG1-OE2 3.42Å; V333-E381 HydrophobicContact CG2-CB 4.19Å; V333-E381 WeakPolarHBondContact CG2-OE2 3.45Å
334	Q	89.1	Confident	89.7	Confident	139 Å²	139	70.7 Å²	70.7	65%	0.65	37%	0.371	S	S	*	.	H	α-helix	trans	-63.2	-40.5	175.4	-170.9	177	-0.9	0	0	112.4	A330 V331 L337 A338	A330-Q334 WeakPolarHBondContact O-CB 3.48Å; A330-Q334 PolarHBondContact O-N 3.43Å; V331-Q334 PolarHBondContact O-N 3.47Å; Q334-L337 PolarHBondContact O-N 2.86Å; Q334-A338 PolarHBondContact O-N 3.35Å
335	E	91.4	Very high	90.1	Very high	103 Å²	103	69.7 Å²	69.7	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-42	175.3	-166.5	-165.9	147.3	0	0	111.8	V331 K332 L337 A338 K339	V331-E335 PolarHBondContact O-N 3.4Å; K332-E335 PolarHBondContact O-N 2.66Å; E335-L337 VanDerWaalsContact C-N 3.33Å; E335-A338 PolarHBondContact O-N 2.95Å; E335-K339 WeakPolarHBondContact O-CG 3.34Å; E335-K339 PolarHBondContact O-N 3.49Å; E335-K339 VanDerWaalsContact O-N 3.14Å; E335-K339 WeakPolarHBondContact OE1-CE 3.37Å; E335-K339 IonicContact OE1-NZ 3.48Å; E335-K339 PolarHBondContact OE1-NZ 3.35Å
336	S	91.2	Very high	90.5	Very high	19 Å²	19	71.5 Å²	71.5	13%	0.133	38%	0.375	C	S	.	.	H	α-helix	trans	-64.4	-38.1	175	-167.5	0	0	0	0	111.9	K332 V333 K339 S340	K332-S336 WeakPolarHBondContact O-CB 3.3Å; K332-S336 PolarHBondContact O-N 3.43Å; V333-S336 PolarHBondContact O-N 2.93Å; S336-K339 PolarHBondContact O-N 2.65Å; S336-S340 PolarHBondContact O-N 3.32Å; S336-S340 PolarHBondContact O-OG 2.83Å
337	L	92.2	Very high	90.8	Very high	83 Å²	83	69.4 Å²	69.4	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-45.1	175.1	-179.2	63.5	0	0	0	111.2	V333 Q334 E335 K339 S340 T341 M374	V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 PolarHBondContact O-N 3.48Å; Q334-L337 PolarHBondContact O-N 2.86Å; E335-L337 VanDerWaalsContact C-N 3.33Å; L337-K339 VanDerWaalsContact C-N 3.29Å; L337-K339 PolarHBondContact O-N 3.06Å; L337-S340 WeakPolarHBondContact O-CB 3.09Å; L337-S340 PolarHBondContact O-N 3.04Å; L337-S340 VanDerWaalsContact O-N 3.09Å; L337-T341 PolarHBondContact O-N 3.28Å; L337-T341 PolarHBondContact O-OG1 2.93Å; L337-T341 VanDerWaalsContact O-OG1 3.13Å; L337-M374 HydrophobicContact CB-CE 4.03Å; L337-M374 HydrophobicContact CB-SD 4.4Å; L337-M374 HydrophobicContact CD1-CE 4.29Å; L337-M374 HydrophobicContact CD1-SD 4.39Å
338	A	89.7	Confident	91.3	Very high	57 Å²	57	69.2 Å²	69.2	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-58.2	-40.7	177.5	0	0	0	0	0	112.1	Q334 E335 T341 Q342	Q334-A338 PolarHBondContact O-N 3.35Å; E335-A338 PolarHBondContact O-N 2.95Å; A338-T341 PolarHBondContact O-N 2.73Å; A338-Q342 WeakPolarHBondContact O-CB 3.21Å; A338-Q342 PolarHBondContact O-N 2.89Å
339	K	90.7	Very high	91.5	Very high	101 Å²	101	71.1 Å²	71.1	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-42.2	174.2	-70.3	172.1	-173.2	165.8	0	112.2	E335 S336 L337 Q342 V343	E335-K339 WeakPolarHBondContact O-CG 3.34Å; E335-K339 PolarHBondContact O-N 3.49Å; E335-K339 VanDerWaalsContact O-N 3.14Å; E335-K339 WeakPolarHBondContact OE1-CE 3.37Å; E335-K339 IonicContact OE1-NZ 3.48Å; E335-K339 PolarHBondContact OE1-NZ 3.35Å; S336-K339 PolarHBondContact O-N 2.65Å; L337-K339 VanDerWaalsContact C-N 3.29Å; L337-K339 PolarHBondContact O-N 3.06Å; K339-Q342 PolarHBondContact O-N 2.93Å; K339-V343 PolarHBondContact O-N 3.03Å
340	S	92.2	Very high	91.8	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.007	39%	0.391	C	S	.	.	H	α-helix	trans	-65	-43.6	175.5	-57.1	0	0	0	0	111.9	S336 L337 Q342 V343 A344 F367 K370	S336-S340 PolarHBondContact O-N 3.32Å; S336-S340 PolarHBondContact O-OG 2.83Å; L337-S340 WeakPolarHBondContact O-CB 3.09Å; L337-S340 PolarHBondContact O-N 3.04Å; L337-S340 VanDerWaalsContact O-N 3.09Å; S340-Q342 VanDerWaalsContact C-N 3.31Å; S340-Q342 PolarHBondContact O-N 3.4Å; S340-V343 PolarHBondContact O-N 3.28Å; S340-A344 PolarHBondContact O-N 3.33Å; S340-A344 VanDerWaalsContact O-N 3.13Å; S340-F367 WeakPolarHBondContact O-CE2 3.44Å; S340-K370 WeakPolarHBondContact OG-CB 3.34Å
341	T	92.3	Very high	92.1	Very high	70 Å²	70	73.5 Å²	73.5	43%	0.429	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-38.7	176	-58.4	0	0	0	0	111.7	L337 A338 V343 A344 L345	L337-T341 PolarHBondContact O-N 3.28Å; L337-T341 PolarHBondContact O-OG1 2.93Å; L337-T341 VanDerWaalsContact O-OG1 3.13Å; A338-T341 PolarHBondContact O-N 2.73Å; T341-V343 PolarHBondContact O-N 2.7Å; T341-A344 PolarHBondContact O-N 2.87Å; T341-L345 HydrophobicContact CG2-CD1 4.09Å; T341-L345 HydrophobicContact CG2-CG 4.34Å; T341-L345 WeakPolarHBondContact O-CB 3.3Å; T341-L345 WeakPolarHBondContact O-CG 3.45Å; T341-L345 PolarHBondContact O-N 3.32Å
342	Q	91.6	Very high	92.4	Very high	130 Å²	130	74 Å²	74	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-61.2	-43.5	176.5	-174.8	178.6	-2.3	0	0	112.1	A338 K339 S340 A344 L345 E346	A338-Q342 WeakPolarHBondContact O-CB 3.21Å; A338-Q342 PolarHBondContact O-N 2.89Å; K339-Q342 PolarHBondContact O-N 2.93Å; S340-Q342 VanDerWaalsContact C-N 3.31Å; S340-Q342 PolarHBondContact O-N 3.4Å; Q342-A344 VanDerWaalsContact C-N 3.34Å; Q342-A344 PolarHBondContact O-N 3.01Å; Q342-L345 PolarHBondContact O-N 2.87Å; Q342-E346 PolarHBondContact O-N 3.17Å
343	V	92.3	Very high	92.7	Very high	17 Å²	17	71.8 Å²	71.8	10%	0.103	40%	0.4	C	S	.	.	H	α-helix	trans	-61.4	-43.4	175.4	174.2	0	0	0	0	111	K339 S340 T341 E346 A347 K366 K370	K339-V343 PolarHBondContact O-N 3.03Å; S340-V343 PolarHBondContact O-N 3.28Å; T341-V343 PolarHBondContact O-N 2.7Å; V343-E346 PolarHBondContact O-N 3.01Å; V343-A347 PolarHBondContact O-N 2.86Å; V343-A347 VanDerWaalsContact O-N 3.07Å; V343-K366 HydrophobicContact CG1-CD 4.15Å; V343-K366 HydrophobicContact CG1-CG 4.21Å; V343-K370 HydrophobicContact CG2-CG 4.49Å
344	A	94	Very high	93	Very high	28 Å²	28	72 Å²	72	23%	0.231	40%	0.402	C	S	.	.	H	α-helix	trans	-63.8	-42.1	176.9	0	0	0	0	0	112.2	S340 T341 Q342 A347 L348 F367	S340-A344 PolarHBondContact O-N 3.33Å; S340-A344 VanDerWaalsContact O-N 3.13Å; T341-A344 PolarHBondContact O-N 2.87Å; Q342-A344 VanDerWaalsContact C-N 3.34Å; Q342-A344 PolarHBondContact O-N 3.01Å; A344-A347 PolarHBondContact O-N 3.19Å; A344-L348 VanDerWaalsContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CG 3.13Å; A344-L348 PolarHBondContact O-N 2.66Å; A344-F367 HydrophobicContact CB-CD2 4.21Å; A344-F367 HydrophobicContact CB-CE2 3.93Å
345	L	92	Very high	93.3	Very high	112 Å²	112	72.9 Å²	72.9	59%	0.586	40%	0.399	S	S	*	.	H	α-helix	trans	-62.2	-44.7	176.8	-76.3	170.7	0	0	0	111.7	T341 Q342 S349	T341-L345 HydrophobicContact CG2-CD1 4.09Å; T341-L345 HydrophobicContact CG2-CG 4.34Å; T341-L345 WeakPolarHBondContact O-CB 3.3Å; T341-L345 WeakPolarHBondContact O-CG 3.45Å; T341-L345 PolarHBondContact O-N 3.32Å; Q342-L345 PolarHBondContact O-N 2.87Å; L345-S349 WeakPolarHBondContact O-CB 3.16Å; L345-S349 PolarHBondContact O-N 3.17Å; L345-S349 PolarHBondContact O-OG 2.83Å
346	E	92.9	Very high	93.6	Very high	116 Å²	116	72.1 Å²	72.1	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-58.7	-52.6	177.2	-172.4	178.3	-172.1	0	0	110.9	Q342 V343 L348 S349 A350	Q342-E346 PolarHBondContact O-N 3.17Å; V343-E346 PolarHBondContact O-N 3.01Å; E346-L348 PolarHBondContact O-N 2.82Å; E346-S349 PolarHBondContact O-N 3.28Å; E346-S349 PolarHBondContact O-OG 3.42Å; E346-A350 PolarHBondContact O-N 3.26Å
347	A	93.3	Very high	93.9	Very high	18 Å²	18	78.7 Å²	78.7	15%	0.149	43%	0.432	C	S	.	.	H	α-helix	trans	-62.6	-43.7	-179.5	0	0	0	0	0	113.1	V343 A344 A350 M351 E363	V343-A347 PolarHBondContact O-N 2.86Å; V343-A347 VanDerWaalsContact O-N 3.07Å; A344-A347 PolarHBondContact O-N 3.19Å; A347-A350 CarbonylContact O-C 3.59Å; A347-A350 PolarHBondContact O-N 3.49Å; A347-M351 PolarHBondContact O-N 2.96Å; A347-E363 HydrophobicContact CB-CB 4.26Å; A347-E363 HydrophobicContact CB-CG 4.14Å
348	L	94.7	Very high	94.1	Very high	121 Å²	121	78.4 Å²	78.4	63%	0.634	44%	0.441	S	S	*	.	H	α-helix	trans	-73.4	-34.9	-179	-67.8	174.4	0	0	0	112.7	A344 E346 A350 M351	A344-L348 VanDerWaalsContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CG 3.13Å; A344-L348 PolarHBondContact O-N 2.66Å; E346-L348 PolarHBondContact O-N 2.82Å; L348-A350 VanDerWaalsContact C-N 3.27Å; L348-A350 PolarHBondContact O-N 3.06Å; L348-M351 WeakPolarHBondContact O-CB 3.37Å; L348-M351 PolarHBondContact O-N 3.33Å
349	S	92.4	Very high	94.4	Very high	98 Å²	98	79 Å²	79	69%	0.685	44%	0.437	S	S	*	.	H	α-helix	trans	-66.4	-31.6	176.3	69.1	0	0	0	0	112.3	L345 E346	L345-S349 WeakPolarHBondContact O-CB 3.16Å; L345-S349 PolarHBondContact O-N 3.17Å; L345-S349 PolarHBondContact O-OG 2.83Å; E346-S349 PolarHBondContact O-N 3.28Å; E346-S349 PolarHBondContact O-OG 3.42Å
350	A	94.4	Very high	94.7	Very high	35 Å²	35	77.1 Å²	77.1	29%	0.289	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	30.8	177.9	0	0	0	0	0	112.6	E346 A347 L348 P352 T353 V354	E346-A350 PolarHBondContact O-N 3.26Å; A347-A350 CarbonylContact O-C 3.59Å; A347-A350 PolarHBondContact O-N 3.49Å; L348-A350 VanDerWaalsContact C-N 3.27Å; L348-A350 PolarHBondContact O-N 3.06Å; A350-P352 VanDerWaalsContact C-CD 3.44Å; A350-P352 VanDerWaalsContact C-N 3.35Å; A350-T353 WeakPolarHBondContact O-CA 3.47Å; A350-T353 VanDerWaalsContact O-CB 3.28Å; A350-T353 WeakPolarHBondContact O-CB 3.49Å; A350-T353 PolarHBondContact O-N 3.45Å; A350-V354 PolarHBondContact O-N 2.86Å
351	M	94.8	Very high	94.9	Very high	72 Å²	72	84.2 Å²	84.2	36%	0.355	46%	0.462	S	S	.	.	H	α-helix	trans	-53.7	-39.8	-174.9	-166.5	66.1	-172.7	0	0	114.5	A347 L348 T353 V354 R355	A347-M351 PolarHBondContact O-N 2.96Å; L348-M351 WeakPolarHBondContact O-CB 3.37Å; L348-M351 PolarHBondContact O-N 3.33Å; M351-T353 VanDerWaalsContact C-N 3.27Å; M351-T353 PolarHBondContact O-N 3.04Å; M351-V354 PolarHBondContact O-N 2.92Å; M351-R355 HydrophobicContact CE-CG 3.99Å; M351-R355 WeakPolarHBondContact O-CB 3.09Å; M351-R355 WeakPolarHBondContact O-CG 3.44Å; M351-R355 PolarHBondContact O-N 3.04Å
352	P	96.6	Very high	95.1	Very high	101 Å²	101	82.5 Å²	82.5	66%	0.656	46%	0.459	S	S	*	.	H	α-helix	trans	-60.1	-36.8	174.7	-24.3	35.4	0	0	0	112.9	A350 S356	A350-P352 VanDerWaalsContact C-CD 3.44Å; A350-P352 VanDerWaalsContact C-N 3.35Å; P352-S356 WeakPolarHBondContact O-CB 3.23Å; P352-S356 PolarHBondContact O-N 3.38Å; P352-S356 PolarHBondContact O-OG 2.85Å
353	T	97.2	Very high	95.3	Very high	74 Å²	74	78.3 Å²	78.3	45%	0.454	44%	0.439	S	S	.	.	H	α-helix	trans	-69.5	-46.9	176.5	-50.6	0	0	0	0	111	A350 M351 R355 S356 F357	A350-T353 WeakPolarHBondContact O-CA 3.47Å; A350-T353 VanDerWaalsContact O-CB 3.28Å; A350-T353 WeakPolarHBondContact O-CB 3.49Å; A350-T353 PolarHBondContact O-N 3.45Å; M351-T353 VanDerWaalsContact C-N 3.27Å; M351-T353 PolarHBondContact O-N 3.04Å; T353-R355 VanDerWaalsContact C-N 3.26Å; T353-R355 PolarHBondContact O-N 3Å; T353-S356 WeakPolarHBondContact CA-OG 3.33Å; T353-S356 PolarHBondContact O-N 3.41Å; T353-S356 PolarHBondContact O-OG 3.48Å; T353-F357 HydrophobicContact CG2-CD2 3.74Å; T353-F357 HydrophobicContact CG2-CE2 3.78Å; T353-F357 VanDerWaalsContact O-CD2 3.24Å; T353-F357 WeakPolarHBondContact O-CD2 3.4Å; T353-F357 PolarHBondContact O-N 3.27Å
354	V	97.4	Very high	95.4	Very high	17 Å²	17	79.9 Å²	79.9	10%	0.103	45%	0.453	C	S	.	.	H	α-helix	trans	-57.4	-43.4	176.7	179.4	0	0	0	0	110.7	A350 M351 A358 N359 E360 E363	A350-V354 PolarHBondContact O-N 2.86Å; M351-V354 PolarHBondContact O-N 2.92Å; V354-A358 PolarHBondContact O-N 2.9Å; V354-A358 VanDerWaalsContact O-N 3.14Å; V354-N359 PolarHBondContact O-N 3.38Å; V354-N359 VanDerWaalsContact O-N 3.07Å; V354-E360 HydrophobicContact CG1-CG 4.23Å; V354-E363 HydrophobicContact CG1-CG 4.38Å; V354-E363 HydrophobicContact CG2-CG 4.46Å
355	R	96.7	Very high	95.6	Very high	158 Å²	158	83.6 Å²	83.6	60%	0.596	47%	0.466	S	S	*	.	H	α-helix	trans	-66.6	-42.7	175.6	-78.6	-78.2	180	-167.9	9.7	113	M351 T353 F357 A358 E360	M351-R355 HydrophobicContact CE-CG 3.99Å; M351-R355 WeakPolarHBondContact O-CB 3.09Å; M351-R355 WeakPolarHBondContact O-CG 3.44Å; M351-R355 PolarHBondContact O-N 3.04Å; T353-R355 VanDerWaalsContact C-N 3.26Å; T353-R355 PolarHBondContact O-N 3Å; R355-F357 PolarHBondContact O-N 3.48Å; R355-A358 PolarHBondContact O-N 3.01Å; R355-E360 WeakPolarHBondContact CD-OE1 3.29Å; R355-E360 IonicContact CZ-OE1 3.32Å; R355-E360 IonicContact NE-OE1 3.47Å; R355-E360 PolarHBondContact NE-OE1 3.38Å; R355-E360 IonicContact NH1-OE1 2.68Å; R355-E360 PolarHBondContact NH1-OE1 3.46Å
356	S	97.5	Very high	95.7	Very high	86 Å²	86	82.1 Å²	82.1	60%	0.601	46%	0.455	S	S	*	.	H	α-helix	trans	-65.2	-28.8	-179.1	67.6	0	0	0	0	112.7	P352 T353	P352-S356 WeakPolarHBondContact O-CB 3.23Å; P352-S356 PolarHBondContact O-N 3.38Å; P352-S356 PolarHBondContact O-OG 2.85Å; T353-S356 WeakPolarHBondContact CA-OG 3.33Å; T353-S356 PolarHBondContact O-N 3.41Å; T353-S356 PolarHBondContact O-OG 3.48Å
357	F	97.4	Very high	95.8	Very high	158 Å²	158	80 Å²	80	69%	0.693	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	2.7	176.9	-71.4	-75.3	0	0	0	114	T353 R355 N359	T353-F357 HydrophobicContact CG2-CD2 3.74Å; T353-F357 HydrophobicContact CG2-CE2 3.78Å; T353-F357 VanDerWaalsContact O-CD2 3.24Å; T353-F357 WeakPolarHBondContact O-CD2 3.4Å; T353-F357 PolarHBondContact O-N 3.27Å; R355-F357 PolarHBondContact O-N 3.48Å; F357-N359 PolarHBondContact O-N 3.14Å
358	A	96.8	Very high	95.9	Very high	77 Å²	77	86 Å²	86	64%	0.636	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	39	-176.9	0	0	0	0	0	113.8	V354 R355 E360	V354-A358 PolarHBondContact O-N 2.9Å; V354-A358 VanDerWaalsContact O-N 3.14Å; R355-A358 PolarHBondContact O-N 3.01Å; A358-E360 VanDerWaalsContact CA-OE2 3.24Å; A358-E360 WeakPolarHBondContact CA-OE2 3.22Å
359	N	96.2	Very high	96	Very high	70 Å²	70	85.4 Å²	85.4	37%	0.374	46%	0.457	S	S	.	.			trans	-100.7	23.4	-174.3	-166.9	44.4	0	0	0	113.5	V354 F357 E361 G362 E363	V354-N359 PolarHBondContact O-N 3.38Å; V354-N359 VanDerWaalsContact O-N 3.07Å; F357-N359 PolarHBondContact O-N 3.14Å; N359-E361 VanDerWaalsContact C-N 3.34Å; N359-E361 PolarHBondContact O-N 3.04Å; N359-G362 PolarHBondContact O-N 3Å; N359-E363 PolarHBondContact ND2-OE1 2.96Å; N359-E363 PolarHBondContact O-N 3.46Å; N359-E363 VanDerWaalsContact O-N 3.1Å
360	E	96.6	Very high	96	Very high	61 Å²	61	83.6 Å²	83.6	29%	0.285	44%	0.437	S	S	.	.	H	α-helix	trans	-60.5	-42.9	-177.6	-58.9	92.5	146.2	0	0	112	V354 R355 A358 A364	V354-E360 HydrophobicContact CG1-CG 4.23Å; R355-E360 WeakPolarHBondContact CD-OE1 3.29Å; R355-E360 IonicContact CZ-OE1 3.32Å; R355-E360 IonicContact NE-OE1 3.47Å; R355-E360 PolarHBondContact NE-OE1 3.38Å; R355-E360 IonicContact NH1-OE1 2.68Å; R355-E360 PolarHBondContact NH1-OE1 3.46Å; A358-E360 VanDerWaalsContact CA-OE2 3.24Å; A358-E360 WeakPolarHBondContact CA-OE2 3.22Å; E360-A364 WeakPolarHBondContact O-CB 3.37Å; E360-A364 PolarHBondContact O-N 3.34Å
361	E	96.9	Very high	95.9	Very high	150 Å²	150	85.1 Å²	85.1	70%	0.701	44%	0.439	S	S	*	.	H	α-helix	trans	-70	-34.7	-180	-164.3	61.9	-149.9	0	0	111.8	N359 A364 Q365	N359-E361 VanDerWaalsContact C-N 3.34Å; N359-E361 PolarHBondContact O-N 3.04Å; E361-A364 PolarHBondContact O-N 3.5Å; E361-Q365 WeakPolarHBondContact O-CB 3.37Å; E361-Q365 PolarHBondContact O-N 3.07Å
362	G	95.3	Very high	95.9	Very high	34 Å²	34	85.6 Å²	85.6	35%	0.351	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-46.2	176.3	0	0	0	0	0	112.1	N359 Q365 K366	N359-G362 PolarHBondContact O-N 3Å; G362-Q365 PolarHBondContact O-N 3.16Å; G362-K366 WeakPolarHBondContact O-CB 3.37Å; G362-K366 PolarHBondContact O-N 3.13Å
363	E	96.1	Very high	95.7	Very high	42 Å²	42	84.8 Å²	84.8	20%	0.196	43%	0.428	C	S	.	.	H	α-helix	trans	-67.9	-37.2	175	-68.8	-56	146.5	0	0	112.1	A347 V354 N359 Q365 K366 F367	A347-E363 HydrophobicContact CB-CB 4.26Å; A347-E363 HydrophobicContact CB-CG 4.14Å; V354-E363 HydrophobicContact CG1-CG 4.38Å; V354-E363 HydrophobicContact CG2-CG 4.46Å; N359-E363 PolarHBondContact ND2-OE1 2.96Å; N359-E363 PolarHBondContact O-N 3.46Å; N359-E363 VanDerWaalsContact O-N 3.1Å; E363-Q365 PolarHBondContact O-N 3Å; E363-K366 PolarHBondContact O-N 2.93Å; E363-K366 IonicContact OE2-NZ 2.69Å; E363-F367 WeakPolarHBondContact O-CB 3.36Å; E363-F367 PolarHBondContact O-N 3.35Å
364	A	95.3	Very high	95.5	Very high	49 Å²	49	82.4 Å²	82.4	41%	0.405	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-43.2	174.3	0	0	0	0	0	112.1	E360 E361 F367 R368	E360-A364 WeakPolarHBondContact O-CB 3.37Å; E360-A364 PolarHBondContact O-N 3.34Å; E361-A364 PolarHBondContact O-N 3.5Å; A364-F367 PolarHBondContact O-N 2.65Å; A364-R368 WeakPolarHBondContact O-CB 3.29Å; A364-R368 PolarHBondContact O-N 3.34Å
365	Q	96.5	Very high	95.3	Very high	106 Å²	106	87 Å²	87	50%	0.495	43%	0.431	S	S	.	.	H	α-helix	trans	-67.2	-40.7	177.5	-176.5	63.2	7.1	0	0	112	E361 G362 E363 F367 R368 Q369	E361-Q365 WeakPolarHBondContact O-CB 3.37Å; E361-Q365 PolarHBondContact O-N 3.07Å; G362-Q365 PolarHBondContact O-N 3.16Å; E363-Q365 PolarHBondContact O-N 3Å; Q365-F367 VanDerWaalsContact C-N 3.35Å; Q365-F367 PolarHBondContact O-N 3.34Å; Q365-R368 WeakPolarHBondContact O-CB 3.29Å; Q365-R368 PolarHBondContact O-N 3.27Å; Q365-Q369 PolarHBondContact O-N 3.14Å
366	K	94.7	Very high	95.2	Very high	81 Å²	81	82.7 Å²	82.7	35%	0.352	42%	0.423	S	S	.	.	H	α-helix	trans	-60.9	-43.1	174.5	-175.4	-178.3	171.2	-165.8	0	111.5	V343 G362 E363 Q369 K370	V343-K366 HydrophobicContact CG1-CD 4.15Å; V343-K366 HydrophobicContact CG1-CG 4.21Å; G362-K366 WeakPolarHBondContact O-CB 3.37Å; G362-K366 PolarHBondContact O-N 3.13Å; E363-K366 PolarHBondContact O-N 2.93Å; E363-K366 IonicContact OE2-NZ 2.69Å; K366-Q369 PolarHBondContact O-N 3.26Å; K366-K370 PolarHBondContact O-N 3.39Å
367	F	95.4	Very high	94.9	Very high	71 Å²	71	81.4 Å²	81.4	31%	0.311	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-43.1	174.3	-174.7	-104	0	0	0	111.8	S340 A344 E363 A364 Q365 Q369 K370 L371	S340-F367 WeakPolarHBondContact O-CE2 3.44Å; A344-F367 HydrophobicContact CB-CD2 4.21Å; A344-F367 HydrophobicContact CB-CE2 3.93Å; E363-F367 WeakPolarHBondContact O-CB 3.36Å; E363-F367 PolarHBondContact O-N 3.35Å; A364-F367 PolarHBondContact O-N 2.65Å; Q365-F367 VanDerWaalsContact C-N 3.35Å; Q365-F367 PolarHBondContact O-N 3.34Å; F367-Q369 VanDerWaalsContact C-N 3.35Å; F367-Q369 PolarHBondContact O-N 2.86Å; F367-K370 PolarHBondContact O-N 3.29Å; F367-L371 HydrophobicContact CD1-CD1 3.87Å; F367-L371 HydrophobicContact CD1-CG 4.27Å; F367-L371 HydrophobicContact CE1-CD1 3.49Å; F367-L371 VanDerWaalsContact CE1-CD1 3.49Å; F367-L371 HydrophobicContact CE1-CD2 4.39Å; F367-L371 HydrophobicContact CE1-CG 3.98Å; F367-L371 HydrophobicContact CZ-CD1 4.21Å; F367-L371 HydrophobicContact CZ-CD2 4.3Å; F367-L371 HydrophobicContact CZ-CG 4.32Å; F367-L371 PolarHBondContact O-N 3.49Å
368	R	95.6	Very high	94.6	Very high	145 Å²	145	77.5 Å²	77.5	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-58.6	-44.1	175.5	-177.6	179.7	-179.7	139.4	-2.2	112.2	A364 Q365 K370 L371 E372	A364-R368 WeakPolarHBondContact O-CB 3.29Å; A364-R368 PolarHBondContact O-N 3.34Å; Q365-R368 WeakPolarHBondContact O-CB 3.29Å; Q365-R368 PolarHBondContact O-N 3.27Å; R368-K370 VanDerWaalsContact C-N 3.31Å; R368-K370 PolarHBondContact O-N 3.06Å; R368-L371 WeakPolarHBondContact O-CB 3.24Å; R368-L371 PolarHBondContact O-N 3.01Å; R368-E372 IonicContact CZ-OE1 3.86Å; R368-E372 IonicContact NE-OE1 3.09Å; R368-E372 PolarHBondContact NE-OE1 3.33Å; R368-E372 VanDerWaalsContact NE-OE1 3.09Å; R368-E372 IonicContact NH2-OE1 3.7Å; R368-E372 WeakPolarHBondContact O-CG 3.28Å; R368-E372 PolarHBondContact O-N 2.97Å
369	Q	95.3	Very high	94.4	Very high	108 Å²	108	81 Å²	81	51%	0.505	40%	0.397	S	S	.	.	H	α-helix	trans	-58.9	-43.2	177	-176.3	-180	-1.8	0	0	111.3	Q365 K366 F367 L371 E372 E373	Q365-Q369 PolarHBondContact O-N 3.14Å; K366-Q369 PolarHBondContact O-N 3.26Å; F367-Q369 VanDerWaalsContact C-N 3.35Å; F367-Q369 PolarHBondContact O-N 2.86Å; Q369-L371 VanDerWaalsContact C-N 3.35Å; Q369-L371 PolarHBondContact O-N 3.4Å; Q369-E372 PolarHBondContact O-N 3.48Å; Q369-E372 VanDerWaalsContact O-N 3.16Å; Q369-E373 WeakPolarHBondContact O-CG 3.49Å; Q369-E373 PolarHBondContact O-N 3.04Å
370	K	93.1	Very high	94.2	Very high	61 Å²	61	84.3 Å²	84.3	27%	0.265	41%	0.408	S	S	.	.	H	α-helix	trans	-64.2	-37.8	176.5	-69.6	-73.7	160.1	-147.6	0	112.8	S340 V343 K366 F367 R368 E373 M374	S340-K370 WeakPolarHBondContact OG-CB 3.34Å; V343-K370 HydrophobicContact CG2-CG 4.49Å; K366-K370 PolarHBondContact O-N 3.39Å; F367-K370 PolarHBondContact O-N 3.29Å; R368-K370 VanDerWaalsContact C-N 3.31Å; R368-K370 PolarHBondContact O-N 3.06Å; K370-E373 IonicContact NZ-OE1 2.62Å; K370-E373 IonicContact NZ-OE2 3.61Å; K370-E373 PolarHBondContact NZ-OE2 2.98Å; K370-M374 PolarHBondContact O-N 3.44Å
371	L	93.8	Very high	94	Very high	66 Å²	66	82.9 Å²	82.9	35%	0.346	40%	0.401	S	S	.	.	H	α-helix	trans	-66.2	-37.9	172.1	-67.9	179.9	0	0	0	112.3	F367 R368 Q369 M374 K375	F367-L371 HydrophobicContact CD1-CD1 3.87Å; F367-L371 HydrophobicContact CD1-CG 4.27Å; F367-L371 HydrophobicContact CE1-CD1 3.49Å; F367-L371 VanDerWaalsContact CE1-CD1 3.49Å; F367-L371 HydrophobicContact CE1-CD2 4.39Å; F367-L371 HydrophobicContact CE1-CG 3.98Å; F367-L371 HydrophobicContact CZ-CD1 4.21Å; F367-L371 HydrophobicContact CZ-CD2 4.3Å; F367-L371 HydrophobicContact CZ-CG 4.32Å; F367-L371 PolarHBondContact O-N 3.49Å; R368-L371 WeakPolarHBondContact O-CB 3.24Å; R368-L371 PolarHBondContact O-N 3.01Å; Q369-L371 VanDerWaalsContact C-N 3.35Å; Q369-L371 PolarHBondContact O-N 3.4Å; L371-M374 WeakPolarHBondContact O-CB 3.29Å; L371-M374 PolarHBondContact O-N 2.87Å; L371-K375 WeakPolarHBondContact O-CG 3.33Å; L371-K375 PolarHBondContact O-N 3.18Å; L371-K375 VanDerWaalsContact O-N 3.09Å
372	E	94.5	Very high	93.8	Very high	83 Å²	83	78.2 Å²	78.2	39%	0.388	39%	0.388	S	S	.	.	H	α-helix	trans	-68.5	-36.4	177.1	-74.4	-179.2	-177.6	0	0	112.7	R368 Q369 M374 K375 P376	R368-E372 IonicContact CZ-OE1 3.86Å; R368-E372 IonicContact NE-OE1 3.09Å; R368-E372 PolarHBondContact NE-OE1 3.33Å; R368-E372 VanDerWaalsContact NE-OE1 3.09Å; R368-E372 IonicContact NH2-OE1 3.7Å; R368-E372 WeakPolarHBondContact O-CG 3.28Å; R368-E372 PolarHBondContact O-N 2.97Å; Q369-E372 PolarHBondContact O-N 3.48Å; Q369-E372 VanDerWaalsContact O-N 3.16Å; E372-M374 VanDerWaalsContact C-N 3.27Å; E372-M374 PolarHBondContact O-N 3.43Å; E372-K375 HydrophobicContact CG-CD 4.36Å; E372-K375 PolarHBondContact O-N 2.7Å; E372-P376 WeakPolarHBondContact O-CD 3.34Å
373	E	91.6	Very high	93.7	Very high	84 Å²	84	82 Å²	82	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-60.9	-34.7	170	-73	171.5	-169.3	0	0	112.1	Q369 K370 P376	Q369-E373 WeakPolarHBondContact O-CG 3.49Å; Q369-E373 PolarHBondContact O-N 3.04Å; K370-E373 IonicContact NZ-OE1 2.62Å; K370-E373 IonicContact NZ-OE2 3.61Å; K370-E373 PolarHBondContact NZ-OE2 2.98Å; E373-P376 WeakPolarHBondContact O-CD 3.33Å; E373-P376 WeakPolarHBondContact O-CG 3.36Å
374	M	92.8	Very high	93.4	Very high	23 Å²	23	80.8 Å²	80.8	11%	0.113	40%	0.397	C	S	.	.	H	α-helix	trans	-75.8	-34.3	179.2	-173.7	-171.4	173.5	0	0	113.3	V333 L337 K370 L371 E372 L377 N378	V333-M374 HydrophobicContact CG1-CE 3.4Å; V333-M374 VanDerWaalsContact CG1-CE 3.4Å; L337-M374 HydrophobicContact CB-CE 4.03Å; L337-M374 HydrophobicContact CB-SD 4.4Å; L337-M374 HydrophobicContact CD1-CE 4.29Å; L337-M374 HydrophobicContact CD1-SD 4.39Å; K370-M374 PolarHBondContact O-N 3.44Å; L371-M374 WeakPolarHBondContact O-CB 3.29Å; L371-M374 PolarHBondContact O-N 2.87Å; E372-M374 VanDerWaalsContact C-N 3.27Å; E372-M374 PolarHBondContact O-N 3.43Å; M374-L377 WeakPolarHBondContact O-CB 3.27Å; M374-L377 PolarHBondContact O-N 3.46Å; M374-L377 VanDerWaalsContact O-N 3.07Å; M374-N378 PolarHBondContact O-N 3.28Å
375	K	93.1	Very high	93.1	Very high	115 Å²	115	84.5 Å²	84.5	50%	0.5	40%	0.401	S	S	.	.	H	α-helix	trans	-48	-50	-177.5	-79.2	175.5	-173.1	170.4	0	114.9	L371 E372 L377 N378 K379	L371-K375 WeakPolarHBondContact O-CG 3.33Å; L371-K375 PolarHBondContact O-N 3.18Å; L371-K375 VanDerWaalsContact O-N 3.09Å; E372-K375 HydrophobicContact CG-CD 4.36Å; E372-K375 PolarHBondContact O-N 2.7Å; K375-L377 VanDerWaalsContact C-N 3.32Å; K375-L377 PolarHBondContact O-N 3.5Å; K375-N378 PolarHBondContact O-N 3.44Å; K375-K379 WeakPolarHBondContact O-CG 3.27Å; K375-K379 PolarHBondContact O-N 3.06Å
376	P	94.4	Very high	92.9	Very high	66 Å²	66	83.1 Å²	83.1	43%	0.429	40%	0.4	S	S	.	.	H	α-helix	trans	-66.2	-32.7	-179.5	25.4	-34.9	0	0	0	112.9	E372 E373 K380	E372-P376 WeakPolarHBondContact O-CD 3.34Å; E373-P376 WeakPolarHBondContact O-CD 3.33Å; E373-P376 WeakPolarHBondContact O-CG 3.36Å; P376-K380 WeakPolarHBondContact O-CG 3.46Å; P376-K380 PolarHBondContact O-N 3.31Å
377	L	91.1	Very high	92.7	Very high	59 Å²	59	83.6 Å²	83.6	31%	0.309	41%	0.405	S	S	.	.	H	α-helix	trans	-67.6	-46.3	173.9	-82.6	80.7	0	0	0	110.8	K332 V333 M374 K375 K379 K380 E381	K332-L377 HydrophobicContact CB-CD2 3.63Å; V333-L377 HydrophobicContact CG2-CB 3.72Å; M374-L377 WeakPolarHBondContact O-CB 3.27Å; M374-L377 PolarHBondContact O-N 3.46Å; M374-L377 VanDerWaalsContact O-N 3.07Å; K375-L377 VanDerWaalsContact C-N 3.32Å; K375-L377 PolarHBondContact O-N 3.5Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.2Å; L377-K380 PolarHBondContact O-N 2.94Å; L377-K380 VanDerWaalsContact O-N 3.09Å; L377-E381 PolarHBondContact O-N 3.31Å
378	N	91.3	Very high	92.2	Very high	77 Å²	77	82.6 Å²	82.6	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-40	179.2	-166.2	2.4	0	0	0	111.7	M374 K375 K380 E381 A382	M374-N378 PolarHBondContact O-N 3.28Å; K375-N378 PolarHBondContact O-N 3.44Å; N378-K380 PolarHBondContact O-N 3.49Å; N378-E381 PolarHBondContact O-N 2.96Å; N378-A382 WeakPolarHBondContact O-CB 3.45Å; N378-A382 PolarHBondContact O-N 2.72Å
379	K	93.6	Very high	91.7	Very high	150 Å²	150	78.5 Å²	78.5	65%	0.652	39%	0.392	S	S	*	.	H	α-helix	trans	-59.8	-43.1	172.6	-75.1	-176.8	179.6	-176.9	0	112.8	K375 L377 L383	K375-K379 WeakPolarHBondContact O-CG 3.27Å; K375-K379 PolarHBondContact O-N 3.06Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.2Å; K379-L383 WeakPolarHBondContact O-CG 3.2Å; K379-L383 PolarHBondContact O-N 3.25Å; K379-L383 VanDerWaalsContact O-N 3.08Å
380	K	92.3	Very high	91.4	Very high	140 Å²	140	82 Å²	82	61%	0.609	40%	0.401	S	S	*	.	H	α-helix	trans	-67.1	-38.7	177.3	-70.7	179	179.9	179	0	111.6	L329 P376 L377 N378 L383 A384	L329-K380 VanDerWaalsContact CD2-C 3.42Å; L329-K380 HydrophobicContact CD2-CB 3.47Å; L329-K380 VanDerWaalsContact CD2-CB 3.47Å; P376-K380 WeakPolarHBondContact O-CG 3.46Å; P376-K380 PolarHBondContact O-N 3.31Å; L377-K380 PolarHBondContact O-N 2.94Å; L377-K380 VanDerWaalsContact O-N 3.09Å; N378-K380 PolarHBondContact O-N 3.49Å; K380-L383 PolarHBondContact O-N 3Å; K380-A384 WeakPolarHBondContact O-CB 3.45Å; K380-A384 PolarHBondContact O-N 3.27Å
381	E	91.7	Very high	91.1	Very high	31 Å²	31	80.4 Å²	80.4	15%	0.145	40%	0.396	C	S	.	.	H	α-helix	trans	-62.6	-48.3	174.8	-176.2	-171.2	173.6	0	0	111	Y326 L329 V333 L377 N378 L383 A384 Y385	Y326-E381 HydrophobicContact CD2-CG 4.04Å; Y326-E381 HydrophobicContact CE2-CG 3.65Å; L329-E381 HydrophobicContact CB-CB 4.28Å; V333-E381 VanDerWaalsContact CB-OE2 3.25Å; V333-E381 WeakPolarHBondContact CB-OE2 3.3Å; V333-E381 VanDerWaalsContact CG1-OE2 3.31Å; V333-E381 WeakPolarHBondContact CG1-OE2 3.42Å; V333-E381 HydrophobicContact CG2-CB 4.19Å; V333-E381 WeakPolarHBondContact CG2-OE2 3.45Å; L377-E381 PolarHBondContact O-N 3.31Å; N378-E381 PolarHBondContact O-N 2.96Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.15Å; E381-A384 WeakPolarHBondContact O-CB 3.46Å; E381-A384 PolarHBondContact O-N 3.42Å; E381-A384 VanDerWaalsContact O-N 3.1Å; E381-Y385 WeakPolarHBondContact O-CB 3.32Å; E381-Y385 PolarHBondContact O-N 2.76Å
382	A	92	Very high	90.6	Very high	51 Å²	51	79.5 Å²	79.5	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-58.4	-42.3	178	0	0	0	0	0	112	N378 Y385 V386	N378-A382 WeakPolarHBondContact O-CB 3.45Å; N378-A382 PolarHBondContact O-N 2.72Å; A382-Y385 PolarHBondContact O-N 3.02Å; A382-V386 WeakPolarHBondContact O-CG2 3.38Å; A382-V386 PolarHBondContact O-N 2.96Å
383	L	93.1	Very high	90	Very high	114 Å²	114	79.1 Å²	79.1	60%	0.597	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-43.5	174	-74.1	172.8	0	0	0	112.3	K379 K380 E381 Y385 V386 I387	K379-L383 WeakPolarHBondContact O-CG 3.2Å; K379-L383 PolarHBondContact O-N 3.25Å; K379-L383 VanDerWaalsContact O-N 3.08Å; K380-L383 PolarHBondContact O-N 3Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.15Å; L383-Y385 VanDerWaalsContact C-N 3.32Å; L383-Y385 PolarHBondContact O-N 3.35Å; L383-V386 PolarHBondContact O-N 3.31Å; L383-I387 VanDerWaalsContact O-CG1 3.28Å; L383-I387 WeakPolarHBondContact O-CG1 3.37Å; L383-I387 PolarHBondContact O-N 3.29Å
384	A	90.1	Very high	89.8	Confident	17 Å²	17	79.2 Å²	79.2	14%	0.14	40%	0.404	C	S	.	.	H	α-helix	trans	-61.8	-41.1	176.8	0	0	0	0	0	111.9	Y326 K380 E381 I387 E388	Y326-A384 HydrophobicContact CD2-CB 4.45Å; K380-A384 WeakPolarHBondContact O-CB 3.45Å; K380-A384 PolarHBondContact O-N 3.27Å; E381-A384 WeakPolarHBondContact O-CB 3.46Å; E381-A384 PolarHBondContact O-N 3.42Å; E381-A384 VanDerWaalsContact O-N 3.1Å; A384-I387 PolarHBondContact O-N 3.35Å; A384-E388 WeakPolarHBondContact O-CB 3.44Å; A384-E388 PolarHBondContact O-N 3.31Å
385	Y	89.1	Confident	89.3	Confident	127 Å²	127	79 Å²	79	50%	0.498	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-48.5	174.7	172.5	-103.2	0	0	0	111.8	Y326 E381 A382 L383 I387 E388 V389	Y326-Y385 HydrophobicContact CE2-CD2 4.31Å; E381-Y385 WeakPolarHBondContact O-CB 3.32Å; E381-Y385 PolarHBondContact O-N 2.76Å; A382-Y385 PolarHBondContact O-N 3.02Å; L383-Y385 VanDerWaalsContact C-N 3.32Å; L383-Y385 PolarHBondContact O-N 3.35Å; Y385-I387 VanDerWaalsContact C-N 3.31Å; Y385-I387 PolarHBondContact O-N 3.36Å; Y385-E388 PolarHBondContact O-N 3.04Å; Y385-V389 HydrophobicContact CD1-CG2 4.44Å; Y385-V389 HydrophobicContact CD2-CG2 4.13Å; Y385-V389 HydrophobicContact CE1-CG2 4.01Å; Y385-V389 HydrophobicContact CE2-CG2 3.66Å; Y385-V389 WeakPolarHBondContact O-CG2 3.43Å; Y385-V389 PolarHBondContact O-N 2.98Å
386	V	91.8	Very high	88.7	Confident	76 Å²	76	74.6 Å²	74.6	46%	0.461	39%	0.391	S	S	.	.	H	α-helix	trans	-58.9	-44.4	177.7	171.5	0	0	0	0	111	A382 L383 E388 V389 W390	A382-V386 WeakPolarHBondContact O-CG2 3.38Å; A382-V386 PolarHBondContact O-N 2.96Å; L383-V386 PolarHBondContact O-N 3.31Å; V386-E388 VanDerWaalsContact C-N 3.35Å; V386-E388 PolarHBondContact O-N 3.48Å; V386-V389 PolarHBondContact O-N 2.96Å; V386-W390 WeakPolarHBondContact O-CB 3.37Å; V386-W390 PolarHBondContact O-N 2.9Å
387	I	90.3	Very high	88.3	Confident	91 Å²	91	77.5 Å²	77.5	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-41.7	177.9	-68.7	165.5	0	0	0	111.3	L322 L383 A384 Y385 T391	L322-I387 HydrophobicContact CD1-CG2 4.22Å; L322-I387 HydrophobicContact CD2-CG2 4.37Å; L383-I387 VanDerWaalsContact O-CG1 3.28Å; L383-I387 WeakPolarHBondContact O-CG1 3.37Å; L383-I387 PolarHBondContact O-N 3.29Å; A384-I387 PolarHBondContact O-N 3.35Å; Y385-I387 VanDerWaalsContact C-N 3.31Å; Y385-I387 PolarHBondContact O-N 3.36Å; I387-T391 WeakPolarHBondContact O-CB 3.03Å; I387-T391 PolarHBondContact O-N 3.23Å; I387-T391 PolarHBondContact O-OG1 2.88Å
388	E	85.7	Confident	88	Confident	51 Å²	51	80.1 Å²	80.1	24%	0.238	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-52.1	176.7	-179.9	176.8	-172.5	0	0	111.7	Y326 A384 Y385 V386 W390 T391 M392	Y326-E388 WeakPolarHBondContact CB-OE2 3.44Å; Y326-E388 WeakPolarHBondContact CD1-OE2 3.28Å; Y326-E388 VanDerWaalsContact CG-OE2 3.3Å; A384-E388 WeakPolarHBondContact O-CB 3.44Å; A384-E388 PolarHBondContact O-N 3.31Å; Y385-E388 PolarHBondContact O-N 3.04Å; V386-E388 VanDerWaalsContact C-N 3.35Å; V386-E388 PolarHBondContact O-N 3.48Å; E388-W390 VanDerWaalsContact C-N 3.34Å; E388-W390 PolarHBondContact O-N 3.47Å; E388-T391 PolarHBondContact O-N 3.19Å; E388-M392 PolarHBondContact O-N 2.8Å
389	V	85.8	Confident	87.5	Confident	58 Å²	58	77.6 Å²	77.6	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-60.9	-42.8	179.8	173.2	0	0	0	0	111.4	Y385 V386 M392 S393	Y385-V389 HydrophobicContact CD1-CG2 4.44Å; Y385-V389 HydrophobicContact CD2-CG2 4.13Å; Y385-V389 HydrophobicContact CE1-CG2 4.01Å; Y385-V389 HydrophobicContact CE2-CG2 3.66Å; Y385-V389 WeakPolarHBondContact O-CG2 3.43Å; Y385-V389 PolarHBondContact O-N 2.98Å; V386-V389 PolarHBondContact O-N 2.96Å; V389-M392 PolarHBondContact O-N 2.73Å; V389-S393 WeakPolarHBondContact O-CB 3.26Å; V389-S393 PolarHBondContact O-N 3.48Å; V389-S393 PolarHBondContact O-OG 3.49Å
390	W	89.2	Confident	86.9	Confident	181 Å²	181	76 Å²	76	69%	0.686	39%	0.394	S	S	*	.	H	α-helix	trans	-62.1	-45.6	175.1	-103.2	57.5	0	0	0	111.9	V386 E388 M392 S393 V394	V386-W390 WeakPolarHBondContact O-CB 3.37Å; V386-W390 PolarHBondContact O-N 2.9Å; E388-W390 VanDerWaalsContact C-N 3.34Å; E388-W390 PolarHBondContact O-N 3.47Å; W390-M392 VanDerWaalsContact C-N 3.33Å; W390-M392 PolarHBondContact O-N 3.31Å; W390-S393 PolarHBondContact O-N 3.17Å; W390-V394 WeakPolarHBondContact O-CB 3.42Å; W390-V394 WeakPolarHBondContact O-CG2 3.45Å; W390-V394 PolarHBondContact O-N 2.9Å
391	T	85.9	Confident	86.6	Confident	28 Å²	28	73.6 Å²	73.6	17%	0.172	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-39.6	-179.4	-56.6	0	0	0	0	111.6	L318 L322 I387 E388 S395	L318-T391 HydrophobicContact CD2-CG2 3.54Å; L318-T391 HydrophobicContact CG-CG2 3.74Å; L322-T391 HydrophobicContact CD1-CG2 3.64Å; L322-T391 VanDerWaalsContact CD1-OG1 3.22Å; L322-T391 WeakPolarHBondContact CD1-OG1 3.39Å; I387-T391 WeakPolarHBondContact O-CB 3.03Å; I387-T391 PolarHBondContact O-N 3.23Å; I387-T391 PolarHBondContact O-OG1 2.88Å; E388-T391 PolarHBondContact O-N 3.19Å; T391-S395 VanDerWaalsContact O-CB 3.32Å; T391-S395 WeakPolarHBondContact O-CB 3.06Å; T391-S395 PolarHBondContact O-N 3.12Å; T391-S395 PolarHBondContact O-OG 2.97Å
392	M	82.9	Confident	86.3	Confident	48 Å²	48	73.5 Å²	73.5	24%	0.236	40%	0.399	C	S	.	.	H	α-helix	trans	-64.1	-43.8	174.3	-170.1	61.4	176.9	0	0	111.4	L315 F316 P319 E388 V389 W390 S395 G396 E436	L315-M392 HydrophobicContact CD2-CE 4.08Å; L315-M392 HydrophobicContact CD2-SD 4.48Å; F316-M392 HydrophobicContact CE1-CE 4.46Å; P319-M392 HydrophobicContact CB-SD 4.11Å; P319-M392 HydrophobicContact CG-SD 3.71Å; E388-M392 PolarHBondContact O-N 2.8Å; V389-M392 PolarHBondContact O-N 2.73Å; W390-M392 VanDerWaalsContact C-N 3.33Å; W390-M392 PolarHBondContact O-N 3.31Å; M392-S395 PolarHBondContact O-OG 2.95Å; M392-G396 PolarHBondContact O-N 3.49Å; M392-E436 HydrophobicContact CE-CG 4.03Å; M392-E436 VanDerWaalsContact CE-OE1 3.31Å; M392-E436 WeakPolarHBondContact CE-OE1 3.18Å
393	S	83.4	Confident	85.8	Confident	74 Å²	74	71.2 Å²	71.2	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-46	179.5	-60.7	0	0	0	0	112.6	V389 W390 G396 M397	V389-S393 WeakPolarHBondContact O-CB 3.26Å; V389-S393 PolarHBondContact O-N 3.48Å; V389-S393 PolarHBondContact O-OG 3.49Å; W390-S393 PolarHBondContact O-N 3.17Å; S393-G396 PolarHBondContact O-N 3.1Å; S393-M397 WeakPolarHBondContact O-CB 3.25Å; S393-M397 PolarHBondContact O-N 3.2Å
394	V	86	Confident	85.4	Confident	86 Å²	86	71.2 Å²	71.2	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-67.1	-42.4	180	171.6	0	0	0	0	111.4	W390 G396 M397 L398	W390-V394 WeakPolarHBondContact O-CB 3.42Å; W390-V394 WeakPolarHBondContact O-CG2 3.45Å; W390-V394 PolarHBondContact O-N 2.9Å; V394-G396 PolarHBondContact O-N 2.98Å; V394-M397 PolarHBondContact O-N 3.3Å; V394-L398 WeakPolarHBondContact O-CB 3.38Å; V394-L398 PolarHBondContact O-N 2.93Å
395	S	82.8	Confident	85.2	Confident	20 Å²	20	77.5 Å²	77.5	14%	0.14	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-40.4	176.8	58.2	0	0	0	0	112.1	T391 M392 L398 L399	T391-S395 VanDerWaalsContact O-CB 3.32Å; T391-S395 WeakPolarHBondContact O-CB 3.06Å; T391-S395 PolarHBondContact O-N 3.12Å; T391-S395 PolarHBondContact O-OG 2.97Å; M392-S395 PolarHBondContact O-OG 2.95Å; S395-L398 PolarHBondContact O-N 3.4Å; S395-L399 PolarHBondContact O-N 3.47Å; S395-L399 VanDerWaalsContact O-N 3.07Å
396	G	81.5	Confident	85.1	Confident	21 Å²	21	74 Å²	74	22%	0.216	39%	0.39	C	S	.	.	H	α-helix	trans	-63.6	-39.9	172.4	0	0	0	0	0	113.2	M392 S393 V394 L399 K400	M392-G396 PolarHBondContact O-N 3.49Å; S393-G396 PolarHBondContact O-N 3.1Å; V394-G396 PolarHBondContact O-N 2.98Å; G396-L399 PolarHBondContact O-N 2.86Å; G396-K400 WeakPolarHBondContact O-CG 3.48Å; G396-K400 PolarHBondContact O-N 3.36Å; G396-K400 VanDerWaalsContact O-N 3.14Å
397	M	84.1	Confident	84.7	Confident	128 Å²	128	70.3 Å²	70.3	63%	0.631	37%	0.368	S	S	*	.	H	α-helix	trans	-64.9	-45.2	175.8	-166.6	101.6	156.2	0	0	111.6	S393 V394 L399 K400 V401	S393-M397 WeakPolarHBondContact O-CB 3.25Å; S393-M397 PolarHBondContact O-N 3.2Å; V394-M397 PolarHBondContact O-N 3.3Å; M397-L399 VanDerWaalsContact C-N 3.28Å; M397-L399 PolarHBondContact O-N 3.18Å; M397-K400 WeakPolarHBondContact O-CB 2.99Å; M397-K400 PolarHBondContact O-N 2.92Å; M397-K400 VanDerWaalsContact O-N 3.15Å; M397-V401 WeakPolarHBondContact O-CG2 3.22Å; M397-V401 PolarHBondContact O-N 3.33Å
398	L	84.6	Confident	84.4	Confident	114 Å²	114	67.2 Å²	67.2	60%	0.597	36%	0.358	S	S	*	.	H	α-helix	trans	-60.2	-40.5	178.2	-175.1	65.5	0	0	0	111.3	V394 S395 V401 G402	V394-L398 WeakPolarHBondContact O-CB 3.38Å; V394-L398 PolarHBondContact O-N 2.93Å; S395-L398 PolarHBondContact O-N 3.4Å; L398-V401 PolarHBondContact O-N 2.91Å; L398-G402 PolarHBondContact O-N 3.38Å
399	L	82.4	Confident	84.4	Confident	24 Å²	24	68.1 Å²	68.1	13%	0.126	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-45	174.8	179.5	57.5	0	0	0	112.2	S311 L315 S395 G396 M397 V401 G402 I403	S311-L399 VanDerWaalsContact CB-CD1 3.46Å; S311-L399 WeakPolarHBondContact OG-CD1 3.23Å; L315-L399 HydrophobicContact CD1-CB 4.37Å; L315-L399 HydrophobicContact CD1-CD2 3.43Å; L315-L399 VanDerWaalsContact CD1-CD2 3.43Å; S395-L399 PolarHBondContact O-N 3.47Å; S395-L399 VanDerWaalsContact O-N 3.07Å; G396-L399 PolarHBondContact O-N 2.86Å; M397-L399 VanDerWaalsContact C-N 3.28Å; M397-L399 PolarHBondContact O-N 3.18Å; L399-V401 PolarHBondContact O-N 3.37Å; L399-G402 PolarHBondContact O-N 3.49Å; L399-I403 HydrophobicContact CD1-CD1 3.51Å; L399-I403 HydrophobicContact CD1-CG1 4.19Å; L399-I403 HydrophobicContact CG-CD1 3.92Å; L399-I403 PolarHBondContact O-N 3.11Å
400	K	81.3	Confident	84.3	Confident	115 Å²	115	66.6 Å²	66.6	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-46.4	177.1	-70.1	171.5	-172.1	175.9	0	111.5	G396 M397 I403 L404	G396-K400 WeakPolarHBondContact O-CG 3.48Å; G396-K400 PolarHBondContact O-N 3.36Å; G396-K400 VanDerWaalsContact O-N 3.14Å; M397-K400 WeakPolarHBondContact O-CB 2.99Å; M397-K400 PolarHBondContact O-N 2.92Å; M397-K400 VanDerWaalsContact O-N 3.15Å; K400-I403 PolarHBondContact O-N 2.84Å; K400-L404 WeakPolarHBondContact O-CB 3.43Å; K400-L404 PolarHBondContact O-N 3.41Å
401	V	85.4	Confident	84.1	Confident	90 Å²	90	60.3 Å²	60.3	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-43.7	178	174.7	0	0	0	0	110.9	M397 L398 L399 I403 L404 Y405	M397-V401 WeakPolarHBondContact O-CG2 3.22Å; M397-V401 PolarHBondContact O-N 3.33Å; L398-V401 PolarHBondContact O-N 2.91Å; L399-V401 PolarHBondContact O-N 3.37Å; V401-I403 VanDerWaalsContact C-N 3.34Å; V401-I403 PolarHBondContact O-N 3.37Å; V401-L404 PolarHBondContact O-N 3.21Å; V401-Y405 WeakPolarHBondContact O-CB 3.47Å; V401-Y405 PolarHBondContact O-N 2.9Å
402	G	84.3	Confident	84.1	Confident	30 Å²	30	65.2 Å²	65.2	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-40.9	178.3	0	0	0	0	0	113.1	L398 L399 Y405 L406	L398-G402 PolarHBondContact O-N 3.38Å; L399-G402 PolarHBondContact O-N 3.49Å; G402-Y405 PolarHBondContact O-N 3.04Å; G402-L406 WeakPolarHBondContact O-CB 3.49Å; G402-L406 WeakPolarHBondContact O-CG 3.36Å; G402-L406 PolarHBondContact O-N 3.22Å
403	I	82.8	Confident	84.2	Confident	3 Å²	3	72 Å²	72	2%	0.015	39%	0.386	C	S	.	.	H	α-helix	trans	-76.3	-35.7	179.8	-71.5	165.2	0	0	0	111.9	T308 L399 K400 V401 Y405 G407 F424 V425 Q428	T308-I403 HydrophobicContact CG2-CD1 3.61Å; L399-I403 HydrophobicContact CD1-CD1 3.51Å; L399-I403 HydrophobicContact CD1-CG1 4.19Å; L399-I403 HydrophobicContact CG-CD1 3.92Å; L399-I403 PolarHBondContact O-N 3.11Å; K400-I403 PolarHBondContact O-N 2.84Å; V401-I403 VanDerWaalsContact C-N 3.34Å; V401-I403 PolarHBondContact O-N 3.37Å; I403-Y405 VanDerWaalsContact C-N 3.31Å; I403-Y405 PolarHBondContact O-N 2.85Å; I403-G407 WeakPolarHBondContact O-CA 3.47Å; I403-G407 PolarHBondContact O-N 2.92Å; I403-F424 HydrophobicContact CG2-CD1 4.38Å; I403-F424 HydrophobicContact CG2-CE1 4.19Å; I403-V425 HydrophobicContact CG2-CG2 4.45Å; I403-Q428 HydrophobicContact CD1-CG 4.12Å
404	L	83.8	Confident	83.9	Confident	113 Å²	113	71.6 Å²	71.6	59%	0.592	39%	0.394	S	S	*	.	H	α-helix	trans	-61.9	-41.5	171.8	-174.6	63.7	0	0	0	111.3	K400 V401 G408	K400-L404 WeakPolarHBondContact O-CB 3.43Å; K400-L404 PolarHBondContact O-N 3.41Å; V401-L404 PolarHBondContact O-N 3.21Å; L404-G408 WeakPolarHBondContact O-CA 3.24Å; L404-G408 PolarHBondContact O-N 2.96Å
405	Y	86.9	Confident	83.5	Confident	149 Å²	149	71 Å²	71	58%	0.584	40%	0.398	S	S	*	.	H	α-helix	trans	-65.3	-51.5	177.5	-177.5	-97.3	0	0	0	112.3	V401 G402 I403 G408 Q409	V401-Y405 WeakPolarHBondContact O-CB 3.47Å; V401-Y405 PolarHBondContact O-N 2.9Å; G402-Y405 PolarHBondContact O-N 3.04Å; I403-Y405 VanDerWaalsContact C-N 3.31Å; I403-Y405 PolarHBondContact O-N 2.85Å; Y405-G408 PolarHBondContact O-N 2.84Å; Y405-Q409 PolarHBondContact O-N 2.8Å; Y405-Q409 PolarHBondContact OH-NE2 2.95Å; Y405-Q409 VanDerWaalsContact OH-NE2 3.15Å
406	L	85.7	Confident	83.4	Confident	53 Å²	53	71.1 Å²	71.1	28%	0.277	40%	0.398	S	S	.	.	H	α-helix	trans	-68.1	-42.4	-179.3	-69.6	171.4	0	0	0	112.3	V307 G402 Q409 L410	V307-L406 HydrophobicContact CG1-CD1 3.72Å; V307-L406 HydrophobicContact CG2-CD1 4.38Å; G402-L406 WeakPolarHBondContact O-CB 3.49Å; G402-L406 WeakPolarHBondContact O-CG 3.36Å; G402-L406 PolarHBondContact O-N 3.22Å; L406-Q409 PolarHBondContact O-N 3.39Å; L406-L410 WeakPolarHBondContact O-CD1 3.39Å; L406-L410 PolarHBondContact O-N 3.48Å; L406-L410 VanDerWaalsContact O-N 3.14Å
407	G	84.6	Confident	83.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-41.3	175.1	0	0	0	0	0	112.1	I403 Q409 L410 V411	I403-G407 WeakPolarHBondContact O-CA 3.47Å; I403-G407 PolarHBondContact O-N 2.92Å; G407-Q409 PolarHBondContact O-N 3.4Å; G407-L410 WeakPolarHBondContact O-CB 3.36Å; G407-L410 PolarHBondContact O-N 2.89Å; G407-L410 VanDerWaalsContact O-N 3.11Å; G407-V411 WeakPolarHBondContact O-CG2 3.28Å; G407-V411 PolarHBondContact O-N 2.94Å
408	G	84.1	Confident	83.5	Confident	25 Å²	25	67.4 Å²	67.4	26%	0.258	38%	0.381	S	S	.	.	H	α-helix	trans	-60.1	-42.6	173.7	0	0	0	0	0	112.6	L404 Y405 L410 V411 V412	L404-G408 WeakPolarHBondContact O-CA 3.24Å; L404-G408 PolarHBondContact O-N 2.96Å; Y405-G408 PolarHBondContact O-N 2.84Å; G408-L410 VanDerWaalsContact C-N 3.3Å; G408-L410 PolarHBondContact O-N 3.08Å; G408-V411 PolarHBondContact O-N 3.31Å; G408-V412 WeakPolarHBondContact O-CG2 3.39Å; G408-V412 PolarHBondContact O-N 3.45Å
409	Q	85.2	Confident	83.4	Confident	71 Å²	71	62 Å²	62	33%	0.332	35%	0.352	S	S	.	.	H	α-helix	trans	-62.7	-35.4	173.2	-73	-162.4	-6.7	0	0	113	Y405 L406 G407 R413	Y405-Q409 PolarHBondContact O-N 2.8Å; Y405-Q409 PolarHBondContact OH-NE2 2.95Å; Y405-Q409 VanDerWaalsContact OH-NE2 3.15Å; L406-Q409 PolarHBondContact O-N 3.39Å; G407-Q409 PolarHBondContact O-N 3.4Å; Q409-R413 VanDerWaalsContact O-CG 3.29Å; Q409-R413 WeakPolarHBondContact O-CG 3.43Å; Q409-R413 PolarHBondContact O-N 3.42Å; Q409-R413 VanDerWaalsContact O-N 3.12Å
410	L	83.5	Confident	83.6	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.131	37%	0.365	C	S	.	.	H	α-helix	trans	-66.9	-36.8	174.4	-101.8	73	0	0	0	112.3	Y303 L304 L406 G407 G408 R413 G414 A415 V416	Y303-L410 HydrophobicContact CD1-CD1 3.94Å; Y303-L410 HydrophobicContact CD1-CD2 4.02Å; Y303-L410 HydrophobicContact CE1-CD1 3.92Å; L304-L410 HydrophobicContact CD2-CD2 4.42Å; L304-L410 HydrophobicContact CG-CD2 4.21Å; L406-L410 WeakPolarHBondContact O-CD1 3.39Å; L406-L410 PolarHBondContact O-N 3.48Å; L406-L410 VanDerWaalsContact O-N 3.14Å; G407-L410 WeakPolarHBondContact O-CB 3.36Å; G407-L410 PolarHBondContact O-N 2.89Å; G407-L410 VanDerWaalsContact O-N 3.11Å; G408-L410 VanDerWaalsContact C-N 3.3Å; G408-L410 PolarHBondContact O-N 3.08Å; L410-R413 PolarHBondContact O-N 2.96Å; L410-G414 PolarHBondContact O-N 3.46Å; L410-A415 PolarHBondContact O-N 2.92Å; L410-A415 VanDerWaalsContact O-N 3.09Å; L410-V416 HydrophobicContact CB-CG2 4.33Å; L410-V416 HydrophobicContact CD2-CG2 3.8Å
411	V	85.1	Confident	83.8	Confident	49 Å²	49	59.8 Å²	59.8	30%	0.297	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-44.8	175.4	173.7	0	0	0	0	110.9	G407 G408 R413 G414 L421	G407-V411 WeakPolarHBondContact O-CG2 3.28Å; G407-V411 PolarHBondContact O-N 2.94Å; G408-V411 PolarHBondContact O-N 3.31Å; V411-R413 PolarHBondContact O-N 2.91Å; V411-G414 PolarHBondContact O-N 3.25Å; V411-L421 HydrophobicContact CG2-CB 4.04Å; V411-L421 HydrophobicContact CG2-CD2 3.64Å; V411-L421 HydrophobicContact CG2-CG 4.41Å
412	V	86.1	Confident	84	Confident	131 Å²	131	57.8 Å²	57.8	79%	0.794	33%	0.334	S	S	*	.	H	α-helix	trans	-60.1	-34	176.5	172.2	0	0	0	0	111.7	G408 G414	G408-V412 WeakPolarHBondContact O-CG2 3.39Å; G408-V412 PolarHBondContact O-N 3.45Å; V412-G414 VanDerWaalsContact C-N 3.26Å; V412-G414 PolarHBondContact O-N 3Å
413	R	84.4	Confident	84.2	Confident	191 Å²	191	56.8 Å²	56.8	72%	0.721	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.3	175.6	-69.6	175.6	-175.1	-173.7	3.7	114.1	Q409 L410 V411 A415	Q409-R413 VanDerWaalsContact O-CG 3.29Å; Q409-R413 WeakPolarHBondContact O-CG 3.43Å; Q409-R413 PolarHBondContact O-N 3.42Å; Q409-R413 VanDerWaalsContact O-N 3.12Å; L410-R413 PolarHBondContact O-N 2.96Å; V411-R413 PolarHBondContact O-N 2.91Å; R413-A415 PolarHBondContact O-N 3.39Å
414	G	77.8	Confident	84.5	Confident	66 Å²	66	56.9 Å²	56.9	68%	0.68	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	11.9	-179	0	0	0	0	0	115	L410 V411 V412	L410-G414 PolarHBondContact O-N 3.46Å; V411-G414 PolarHBondContact O-N 3.25Å; V412-G414 VanDerWaalsContact C-N 3.26Å; V412-G414 PolarHBondContact O-N 3Å
415	A	77.3	Confident	84.7	Confident	74 Å²	74	54 Å²	54	61%	0.612	31%	0.31	S	S	*	.	S	Bend	trans	-79.8	-22.7	-177.6	0	0	0	0	0	113.1	L410 R413	L410-A415 PolarHBondContact O-N 2.92Å; L410-A415 VanDerWaalsContact O-N 3.09Å; R413-A415 PolarHBondContact O-N 3.39Å
416	V	80.4	Confident	84.8	Confident	22 Å²	22	49.6 Å²	49.6	13%	0.133	30%	0.296	C	S	.	.	S	Bend	trans	-141.1	138.9	-179.1	-179.1	0	0	0	0	108.7	L410 N420	L410-V416 HydrophobicContact CB-CG2 4.33Å; L410-V416 HydrophobicContact CD2-CG2 3.8Å; V416-N420 HydrophobicContact CG1-CB 3.62Å
417	S	83.4	Confident	85	Confident	35 Å²	35	47.6 Å²	47.6	25%	0.245	29%	0.285	C	S	.	.			trans	-71.9	158.2	175	71.7	0	0	0	0	112.2	D190 G419 N420 L421	D190-S417 VanDerWaalsContact OD2-CB 3.3Å; D190-S417 WeakPolarHBondContact OD2-CB 3.34Å; D190-S417 PolarHBondContact OD2-OG 3.18Å; S417-G419 VanDerWaalsContact C-N 3.27Å; S417-G419 PolarHBondContact O-N 3Å; S417-N420 PolarHBondContact O-N 2.94Å; S417-N420 WeakPolarHBondContact OG-CB 3.18Å; S417-N420 VanDerWaalsContact OG-CG 3.3Å; S417-N420 PolarHBondContact OG-N 2.62Å; S417-N420 VanDerWaalsContact OG-N 3.11Å; S417-L421 PolarHBondContact O-N 3Å
418	S	83.6	Confident	85.2	Confident	35 Å²	35	48 Å²	48	25%	0.245	29%	0.287	C	S	.	.	H	α-helix	trans	-54.1	-41.9	173	33.2	0	0	0	0	112.9	D190 L193 L421 V422	D190-S418 PolarHBondContact OD1-OG 2.93Å; L193-S418 WeakPolarHBondContact CD1-OG 3.45Å; S418-L421 WeakPolarHBondContact O-CB 3.47Å; S418-L421 PolarHBondContact O-N 3.2Å; S418-V422 WeakPolarHBondContact O-CG2 3.42Å; S418-V422 PolarHBondContact O-N 2.94Å
419	G	84.1	Confident	85.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-41	-179.5	0	0	0	0	0	112.5	G186 D190 S417 L421 V422 S423	G186-G419 WeakPolarHBondContact CA-O 3.2Å; G186-G419 WeakPolarHBondContact O-CA 3.26Å; D190-G419 VanDerWaalsContact CG-CA 3.46Å; D190-G419 VanDerWaalsContact CG-N 3.29Å; D190-G419 WeakPolarHBondContact OD1-CA 3.5Å; D190-G419 PolarHBondContact OD1-N 3.28Å; D190-G419 WeakPolarHBondContact OD2-CA 3.3Å; D190-G419 PolarHBondContact OD2-N 2.97Å; S417-G419 VanDerWaalsContact C-N 3.27Å; S417-G419 PolarHBondContact O-N 3Å; G419-L421 VanDerWaalsContact C-N 3.26Å; G419-L421 PolarHBondContact O-N 3.1Å; G419-V422 PolarHBondContact O-N 3.11Å; G419-V422 VanDerWaalsContact O-N 3.16Å; G419-S423 PolarHBondContact O-N 3.13Å; G419-S423 PolarHBondContact O-OG 3.02Å
420	N	84.8	Confident	85.6	Confident	73 Å²	73	48.4 Å²	48.4	39%	0.39	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-34.9	172.8	-76.1	-8.3	0	0	0	111.6	V416 S417 F424	V416-N420 HydrophobicContact CG1-CB 3.62Å; S417-N420 PolarHBondContact O-N 2.94Å; S417-N420 WeakPolarHBondContact OG-CB 3.18Å; S417-N420 VanDerWaalsContact OG-CG 3.3Å; S417-N420 PolarHBondContact OG-N 2.62Å; S417-N420 VanDerWaalsContact OG-N 3.11Å; N420-F424 VanDerWaalsContact O-CB 3.23Å; N420-F424 WeakPolarHBondContact O-CB 3.37Å; N420-F424 PolarHBondContact O-N 3.45Å
421	L	86.3	Confident	85.9	Confident	20 Å²	20	48 Å²	48	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-43.4	172.7	-179.3	63.1	0	0	0	111.6	L304 V411 S417 S418 G419 F424 V425	L304-L421 HydrophobicContact CD1-CD1 4.25Å; V411-L421 HydrophobicContact CG2-CB 4.04Å; V411-L421 HydrophobicContact CG2-CD2 3.64Å; V411-L421 HydrophobicContact CG2-CG 4.41Å; S417-L421 PolarHBondContact O-N 3Å; S418-L421 WeakPolarHBondContact O-CB 3.47Å; S418-L421 PolarHBondContact O-N 3.2Å; G419-L421 VanDerWaalsContact C-N 3.26Å; G419-L421 PolarHBondContact O-N 3.1Å; L421-F424 PolarHBondContact O-N 2.81Å; L421-V425 HydrophobicContact CD1-CG2 4.36Å; L421-V425 WeakPolarHBondContact O-CG2 3.49Å; L421-V425 PolarHBondContact O-N 3.44Å
422	V	88.9	Confident	85.9	Confident	49 Å²	49	46.6 Å²	46.6	30%	0.297	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-48.5	175.7	170.9	0	0	0	0	111.3	T185 T189 S418 G419 F424 V425 L426	T185-V422 HydrophobicContact CG2-CG1 4.16Å; T189-V422 HydrophobicContact CG2-CG2 4.17Å; S418-V422 WeakPolarHBondContact O-CG2 3.42Å; S418-V422 PolarHBondContact O-N 2.94Å; G419-V422 PolarHBondContact O-N 3.11Å; G419-V422 VanDerWaalsContact O-N 3.16Å; V422-F424 VanDerWaalsContact C-N 3.28Å; V422-F424 PolarHBondContact O-N 3.2Å; V422-V425 PolarHBondContact O-N 2.94Å; V422-L426 HydrophobicContact CG1-CD1 4.15Å; V422-L426 WeakPolarHBondContact O-CG 3.3Å; V422-L426 PolarHBondContact O-N 3.45Å
423	S	88.9	Confident	86	Confident	8 Å²	8	48 Å²	48	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-56.8	-43.9	174.2	-66.2	0	0	0	0	111.5	P182 G186 G419 L426 Y427	P182-S423 WeakPolarHBondContact O-CB 3.18Å; P182-S423 PolarHBondContact O-OG 3.46Å; G186-S423 VanDerWaalsContact CA-OG 3.29Å; G186-S423 WeakPolarHBondContact CA-OG 3.3Å; G186-S423 PolarHBondContact N-OG 3.46Å; G419-S423 PolarHBondContact O-N 3.13Å; G419-S423 PolarHBondContact O-OG 3.02Å; S423-L426 PolarHBondContact O-N 2.91Å; S423-Y427 WeakPolarHBondContact O-CD2 3.44Å; S423-Y427 PolarHBondContact O-N 3.36Å
424	F	89	Confident	86.2	Confident	5 Å²	5	38.9 Å²	38.9	2%	0.022	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-46.3	179.2	-174.6	-87.9	0	0	0	112.3	M297 L304 T308 I403 N420 L421 V422 L426 Y427 Q428	M297-F424 HydrophobicContact CB-CE2 4.23Å; M297-F424 HydrophobicContact CE-CE1 4.43Å; M297-F424 HydrophobicContact CE-CE2 3.83Å; M297-F424 HydrophobicContact CE-CZ 3.62Å; M297-F424 HydrophobicContact CG-CE2 4.37Å; L304-F424 HydrophobicContact CB-CD1 3.98Å; L304-F424 HydrophobicContact CB-CD2 4.05Å; L304-F424 HydrophobicContact CB-CE1 3.46Å; L304-F424 VanDerWaalsContact CB-CE1 3.46Å; L304-F424 HydrophobicContact CB-CE2 3.52Å; L304-F424 HydrophobicContact CB-CG 4.26Å; L304-F424 HydrophobicContact CB-CZ 3.22Å; L304-F424 HydrophobicContact CD1-CD1 3.87Å; L304-F424 HydrophobicContact CD1-CD2 4.31Å; L304-F424 HydrophobicContact CD1-CE1 4.21Å; L304-F424 HydrophobicContact CD1-CG 3.95Å; L304-F424 HydrophobicContact CG-CE1 4.36Å; L304-F424 HydrophobicContact CG-CZ 4.48Å; L304-F424 WeakPolarHBondContact O-CZ 3.48Å; T308-F424 HydrophobicContact CG2-CE1 3.8Å; T308-F424 HydrophobicContact CG2-CZ 3.65Å; I403-F424 HydrophobicContact CG2-CD1 4.38Å; I403-F424 HydrophobicContact CG2-CE1 4.19Å; N420-F424 VanDerWaalsContact O-CB 3.23Å; N420-F424 WeakPolarHBondContact O-CB 3.37Å; N420-F424 PolarHBondContact O-N 3.45Å; L421-F424 PolarHBondContact O-N 2.81Å; V422-F424 VanDerWaalsContact C-N 3.28Å; V422-F424 PolarHBondContact O-N 3.2Å; F424-L426 VanDerWaalsContact C-N 3.31Å; F424-L426 PolarHBondContact O-N 2.68Å; F424-Y427 PolarHBondContact O-N 3.47Å; F424-Q428 HydrophobicContact CE1-CB 4.29Å; F424-Q428 VanDerWaalsContact O-CB 3.23Å; F424-Q428 WeakPolarHBondContact O-CB 3.49Å; F424-Q428 PolarHBondContact O-N 3.42Å
425	V	88.1	Confident	86.7	Confident	54 Å²	54	37.1 Å²	37.1	33%	0.327	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-41	178	170.5	0	0	0	0	111.1	I403 L421 V422 L429	I403-V425 HydrophobicContact CG2-CG2 4.45Å; L421-V425 HydrophobicContact CD1-CG2 4.36Å; L421-V425 WeakPolarHBondContact O-CG2 3.49Å; L421-V425 PolarHBondContact O-N 3.44Å; V422-V425 PolarHBondContact O-N 2.94Å; V425-L429 WeakPolarHBondContact O-CB 3.38Å; V425-L429 PolarHBondContact O-N 3.44Å
426	L	90	Very high	87	Confident	56 Å²	56	37.6 Å²	37.6	29%	0.293	20%	0.195	S	C	.	.	H	α-helix	trans	-65.7	-46	176.7	-70.9	175.3	0	0	0	112	P182 T185 V422 S423 F424 Q428 L429 Q430	P182-L426 HydrophobicContact CB-CB 3.78Å; P182-L426 HydrophobicContact CB-CD1 4.24Å; P182-L426 HydrophobicContact CG-CB 4.12Å; T185-L426 HydrophobicContact CG2-CD1 3.87Å; V422-L426 HydrophobicContact CG1-CD1 4.15Å; V422-L426 WeakPolarHBondContact O-CG 3.3Å; V422-L426 PolarHBondContact O-N 3.45Å; S423-L426 PolarHBondContact O-N 2.91Å; F424-L426 VanDerWaalsContact C-N 3.31Å; F424-L426 PolarHBondContact O-N 2.68Å; L426-Q428 PolarHBondContact O-N 2.96Å; L426-L429 PolarHBondContact O-N 2.95Å; L426-Q430 WeakPolarHBondContact O-CG 3.46Å; L426-Q430 PolarHBondContact O-N 3.07Å; L426-Q430 VanDerWaalsContact O-N 3.12Å
427	Y	90.6	Very high	87.3	Confident	10 Å²	10	38.4 Å²	38.4	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-44.5	175.6	-72.8	-47.7	0	0	0	112	M179 P182 F183 L293 F296 S423 F424 L429 Q430 F431	M179-Y427 HydrophobicContact CB-CE1 4.17Å; M179-Y427 PolarHBondContact O-OH 2.84Å; M179-Y427 HydrophobicContact SD-CD1 4.26Å; M179-Y427 HydrophobicContact SD-CE1 4.08Å; P182-Y427 HydrophobicContact CB-CD1 3.69Å; P182-Y427 HydrophobicContact CB-CD2 4.34Å; P182-Y427 HydrophobicContact CB-CE1 3.47Å; P182-Y427 VanDerWaalsContact CB-CE1 3.47Å; P182-Y427 HydrophobicContact CB-CE2 4.14Å; P182-Y427 HydrophobicContact CB-CG 4.13Å; P182-Y427 HydrophobicContact CG-CD1 3.73Å; P182-Y427 HydrophobicContact CG-CE1 3.61Å; F183-Y427 WeakPolarHBondContact CB-OH 3.44Å; L293-Y427 HydrophobicContact CD2-CD1 3.6Å; L293-Y427 HydrophobicContact CD2-CE1 4.45Å; L293-Y427 HydrophobicContact CD2-CG 4.34Å; F296-Y427 HydrophobicContact CB-CD2 4.44Å; F296-Y427 HydrophobicContact CB-CE1 4.21Å; F296-Y427 HydrophobicContact CB-CE2 4.05Å; F296-Y427 HydrophobicContact CG-CE1 4.5Å; S423-Y427 WeakPolarHBondContact O-CD2 3.44Å; S423-Y427 PolarHBondContact O-N 3.36Å; F424-Y427 PolarHBondContact O-N 3.47Å; Y427-L429 PolarHBondContact O-N 3.36Å; Y427-Q430 PolarHBondContact O-N 3.18Å; Y427-F431 VanDerWaalsContact O-CB 3.26Å; Y427-F431 WeakPolarHBondContact O-CB 3.39Å; Y427-F431 PolarHBondContact O-N 3.14Å
428	Q	87.8	Confident	87.5	Confident	9 Å²	9	39 Å²	39	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-42.2	177.9	-178.7	-136.4	-30.2	0	0	112.2	M297 T308 I403 F424 L426 Q430 F431 T432	M297-Q428 HydrophobicContact CE-CB 4.05Å; M297-Q428 HydrophobicContact CE-CG 4.37Å; T308-Q428 HydrophobicContact CG2-CB 4.48Å; T308-Q428 HydrophobicContact CG2-CG 3.64Å; I403-Q428 HydrophobicContact CD1-CG 4.12Å; F424-Q428 HydrophobicContact CE1-CB 4.29Å; F424-Q428 VanDerWaalsContact O-CB 3.23Å; F424-Q428 WeakPolarHBondContact O-CB 3.49Å; F424-Q428 PolarHBondContact O-N 3.42Å; L426-Q428 PolarHBondContact O-N 2.96Å; Q428-Q430 VanDerWaalsContact C-N 3.34Å; Q428-Q430 PolarHBondContact O-N 2.87Å; Q428-F431 PolarHBondContact O-N 2.97Å; Q428-T432 WeakPolarHBondContact O-CB 3.45Å; Q428-T432 PolarHBondContact O-N 3.19Å; Q428-T432 PolarHBondContact O-OG1 3.49Å
429	L	86.9	Confident	87.5	Confident	62 Å²	62	41.6 Å²	41.6	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-45.3	177.7	-175.6	70.5	0	0	0	111	V425 L426 Y427 R433	V425-L429 WeakPolarHBondContact O-CB 3.38Å; V425-L429 PolarHBondContact O-N 3.44Å; L426-L429 PolarHBondContact O-N 2.95Å; Y427-L429 PolarHBondContact O-N 3.36Å; L429-R433 PolarHBondContact O-N 2.88Å
430	Q	90.3	Very high	87.4	Confident	43 Å²	43	45 Å²	45	20%	0.201	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-38.9	176.5	-67.1	-171.6	17.5	0	0	112	L293 L426 Y427 Q428 R433 A434	L293-Q430 HydrophobicContact CD1-CB 3.95Å; L293-Q430 HydrophobicContact CD2-CB 4.04Å; L426-Q430 WeakPolarHBondContact O-CG 3.46Å; L426-Q430 PolarHBondContact O-N 3.07Å; L426-Q430 VanDerWaalsContact O-N 3.12Å; Y427-Q430 PolarHBondContact O-N 3.18Å; Q428-Q430 VanDerWaalsContact C-N 3.34Å; Q428-Q430 PolarHBondContact O-N 2.87Å; Q430-R433 PolarHBondContact O-N 3.47Å; Q430-A434 WeakPolarHBondContact O-CB 3.3Å; Q430-A434 PolarHBondContact O-N 3Å
431	F	89.8	Confident	87.4	Confident	15 Å²	15	41.8 Å²	41.8	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-42.2	178.9	-179.1	-113.2	0	0	0	111.9	L293 L294 M297 L312 Y427 Q428 R433 A434 V435	L293-F431 HydrophobicContact CB-CB 4.27Å; L293-F431 HydrophobicContact CB-CD2 4.01Å; L293-F431 HydrophobicContact CD1-CB 4.2Å; L294-F431 HydrophobicContact CB-CE2 4.2Å; L294-F431 HydrophobicContact CD1-CE2 4.4Å; L294-F431 HydrophobicContact CD1-CZ 4.03Å; M297-F431 HydrophobicContact SD-CB 3.86Å; M297-F431 HydrophobicContact SD-CD1 4.1Å; M297-F431 HydrophobicContact SD-CG 3.99Å; L312-F431 HydrophobicContact CD1-CE1 3.78Å; L312-F431 HydrophobicContact CD1-CZ 4.43Å; Y427-F431 VanDerWaalsContact O-CB 3.26Å; Y427-F431 WeakPolarHBondContact O-CB 3.39Å; Y427-F431 PolarHBondContact O-N 3.14Å; Q428-F431 PolarHBondContact O-N 2.97Å; F431-R433 VanDerWaalsContact C-N 3.32Å; F431-R433 PolarHBondContact O-N 3.44Å; F431-A434 PolarHBondContact O-N 2.91Å; F431-V435 HydrophobicContact CD1-CG2 4.42Å; F431-V435 HydrophobicContact CD2-CG2 4.27Å; F431-V435 HydrophobicContact CE1-CG2 4.1Å; F431-V435 HydrophobicContact CE2-CG2 3.9Å; F431-V435 HydrophobicContact CZ-CG2 3.81Å; F431-V435 WeakPolarHBondContact O-CG2 3.12Å; F431-V435 PolarHBondContact O-N 3.49Å
432	T	86.1	Confident	87.1	Confident	21 Å²	21	46 Å²	46	13%	0.129	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-44.4	176.5	-51.8	0	0	0	0	110.6	L315 Q428 V435 E436	L315-T432 HydrophobicContact CD1-CG2 3.92Å; L315-T432 HydrophobicContact CD2-CG2 4.39Å; Q428-T432 WeakPolarHBondContact O-CB 3.45Å; Q428-T432 PolarHBondContact O-N 3.19Å; Q428-T432 PolarHBondContact O-OG1 3.49Å; T432-V435 PolarHBondContact O-N 3.37Å; T432-E436 WeakPolarHBondContact O-CB 3.06Å; T432-E436 PolarHBondContact O-N 3.36Å
433	R	87.1	Confident	86.5	Confident	159 Å²	159	47 Å²	47	60%	0.6	24%	0.24	S	C	*	.	H	α-helix	trans	-63.5	-43.2	174	-72.7	-174.5	-178.9	170.5	0.3	112.6	L429 Q430 F431 V435 E436 V437	L429-R433 PolarHBondContact O-N 2.88Å; Q430-R433 PolarHBondContact O-N 3.47Å; F431-R433 VanDerWaalsContact C-N 3.32Å; F431-R433 PolarHBondContact O-N 3.44Å; R433-V435 VanDerWaalsContact C-N 3.34Å; R433-V435 PolarHBondContact O-N 2.98Å; R433-E436 WeakPolarHBondContact O-CB 3.43Å; R433-E436 PolarHBondContact O-N 2.85Å; R433-V437 WeakPolarHBondContact O-CG2 3.3Å; R433-V437 PolarHBondContact O-N 3.07Å
434	A	89.6	Confident	86	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-43.6	179.4	0	0	0	0	0	111.7	Y286 L293 Q430 F431 L438	Y286-A434 HydrophobicContact CD1-CB 3.83Å; L293-A434 HydrophobicContact CD1-CB 4.39Å; Q430-A434 WeakPolarHBondContact O-CB 3.3Å; Q430-A434 PolarHBondContact O-N 3Å; F431-A434 PolarHBondContact O-N 2.91Å; A434-L438 VanDerWaalsContact O-CB 3.31Å; A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 3.45Å
435	V	87.1	Confident	85.6	Confident	29 Å²	29	49.2 Å²	49.2	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-41.7	175.6	176.2	0	0	0	0	111.2	F316 F431 T432 R433 L438 L439	F316-V435 HydrophobicContact CE2-CB 4.44Å; F316-V435 HydrophobicContact CE2-CG1 3.54Å; F316-V435 HydrophobicContact CZ-CB 4.27Å; F316-V435 HydrophobicContact CZ-CG1 3.7Å; F431-V435 HydrophobicContact CD1-CG2 4.42Å; F431-V435 HydrophobicContact CD2-CG2 4.27Å; F431-V435 HydrophobicContact CE1-CG2 4.1Å; F431-V435 HydrophobicContact CE2-CG2 3.9Å; F431-V435 HydrophobicContact CZ-CG2 3.81Å; F431-V435 WeakPolarHBondContact O-CG2 3.12Å; F431-V435 PolarHBondContact O-N 3.49Å; T432-V435 PolarHBondContact O-N 3.37Å; R433-V435 VanDerWaalsContact C-N 3.34Å; R433-V435 PolarHBondContact O-N 2.98Å; V435-L438 PolarHBondContact O-N 3.37Å; V435-L439 HydrophobicContact CG1-CD1 3.97Å; V435-L439 HydrophobicContact CG1-CG 4.22Å; V435-L439 WeakPolarHBondContact O-CB 3.26Å; V435-L439 VanDerWaalsContact O-CG 3.27Å; V435-L439 WeakPolarHBondContact O-CG 3.32Å; V435-L439 PolarHBondContact O-N 3.01Å
436	E	84.4	Confident	85.1	Confident	84 Å²	84	51.2 Å²	51.2	39%	0.393	26%	0.259	S	S	.	.	H	α-helix	trans	-57.4	-50.4	176.7	-179.4	-179.2	-176.4	0	0	111.8	F316 M392 T432 R433 L439 S440	F316-E436 HydrophobicContact CE1-CB 4.16Å; F316-E436 HydrophobicContact CZ-CB 4.38Å; M392-E436 HydrophobicContact CE-CG 4.03Å; M392-E436 VanDerWaalsContact CE-OE1 3.31Å; M392-E436 WeakPolarHBondContact CE-OE1 3.18Å; T432-E436 WeakPolarHBondContact O-CB 3.06Å; T432-E436 PolarHBondContact O-N 3.36Å; R433-E436 WeakPolarHBondContact O-CB 3.43Å; R433-E436 PolarHBondContact O-N 2.85Å; E436-L439 PolarHBondContact O-N 3.36Å; E436-S440 PolarHBondContact O-N 2.85Å; E436-S440 VanDerWaalsContact O-N 3.07Å
437	V	87.7	Confident	84.6	Confident	38 Å²	38	56.4 Å²	56.4	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-46.6	176.5	177.1	0	0	0	0	110.5	Y286 R433 L439 S440 I441	Y286-V437 HydrophobicContact CD1-CB 4.34Å; Y286-V437 HydrophobicContact CD2-CB 4.07Å; Y286-V437 HydrophobicContact CD2-CG1 3.46Å; Y286-V437 VanDerWaalsContact CD2-CG1 3.46Å; Y286-V437 HydrophobicContact CE1-CB 4.35Å; Y286-V437 HydrophobicContact CE1-CG2 4.29Å; Y286-V437 HydrophobicContact CE2-CB 4.13Å; Y286-V437 HydrophobicContact CE2-CG1 3.52Å; Y286-V437 HydrophobicContact CE2-CG2 4.34Å; Y286-V437 HydrophobicContact CG-CB 4.18Å; Y286-V437 HydrophobicContact CG-CG1 4.04Å; R433-V437 WeakPolarHBondContact O-CG2 3.3Å; R433-V437 PolarHBondContact O-N 3.07Å; V437-L439 VanDerWaalsContact C-N 3.28Å; V437-L439 PolarHBondContact O-N 3.32Å; V437-S440 WeakPolarHBondContact O-CB 3.48Å; V437-S440 PolarHBondContact O-N 2.87Å; V437-S440 PolarHBondContact O-OG 3.36Å; V437-I441 HydrophobicContact CG1-CD1 4.2Å; V437-I441 HydrophobicContact CG1-CG1 4.5Å; V437-I441 WeakPolarHBondContact O-CG1 3.49Å; V437-I441 PolarHBondContact O-N 3.45Å; V437-I441 VanDerWaalsContact O-N 3.14Å
438	L	87	Confident	84.2	Confident	47 Å²	47	56.4 Å²	56.4	25%	0.246	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-40.2	178.8	-165.8	67.8	0	0	0	112.6	F283 L287 A434 V435 I441	F283-L438 HydrophobicContact CD2-CD1 3.41Å; F283-L438 VanDerWaalsContact CD2-CD1 3.41Å; F283-L438 HydrophobicContact CE2-CD1 3.68Å; F283-L438 HydrophobicContact CG-CD1 4.3Å; L287-L438 HydrophobicContact CB-CD1 4.44Å; L287-L438 HydrophobicContact CD1-CD2 4.25Å; A434-L438 VanDerWaalsContact O-CB 3.31Å; A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 3.45Å; V435-L438 PolarHBondContact O-N 3.37Å; L438-I441 PolarHBondContact O-N 3.22Å
439	L	83.5	Confident	83.8	Confident	91 Å²	91	56.1 Å²	56.1	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-67.5	-34.5	176.5	-74.7	177.9	0	0	0	112.8	F316 V435 E436 V437 I441 P443	F316-L439 HydrophobicContact CB-CD1 4.45Å; F316-L439 HydrophobicContact CD1-CD1 3.64Å; F316-L439 HydrophobicContact CD2-CD1 3.65Å; F316-L439 HydrophobicContact CE1-CD1 3.67Å; F316-L439 HydrophobicContact CE2-CD1 3.67Å; F316-L439 HydrophobicContact CG-CD1 3.64Å; F316-L439 HydrophobicContact CZ-CD1 3.69Å; V435-L439 HydrophobicContact CG1-CD1 3.97Å; V435-L439 HydrophobicContact CG1-CG 4.22Å; V435-L439 WeakPolarHBondContact O-CB 3.26Å; V435-L439 VanDerWaalsContact O-CG 3.27Å; V435-L439 WeakPolarHBondContact O-CG 3.32Å; V435-L439 PolarHBondContact O-N 3.01Å; E436-L439 PolarHBondContact O-N 3.36Å; V437-L439 VanDerWaalsContact C-N 3.28Å; V437-L439 PolarHBondContact O-N 3.32Å; L439-I441 VanDerWaalsContact C-N 3.31Å; L439-P443 WeakPolarHBondContact O-CD 3.37Å
440	S	81.8	Confident	83.4	Confident	71 Å²	71	55 Å²	55	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-71.3	-23.7	176.4	77.7	0	0	0	0	113.8	E436 V437 P443	E436-S440 PolarHBondContact O-N 2.85Å; E436-S440 VanDerWaalsContact O-N 3.07Å; V437-S440 WeakPolarHBondContact O-CB 3.48Å; V437-S440 PolarHBondContact O-N 2.87Å; V437-S440 PolarHBondContact O-OG 3.36Å; S440-P443 WeakPolarHBondContact O-CD 3.13Å
441	I	84.9	Confident	82.8	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-37.8	-178.7	-69.7	167.4	0	0	0	111	K279 L282 F283 V437 L438 L439 S444 M445	K279-I441 HydrophobicContact CB-CG2 4.2Å; L282-I441 HydrophobicContact CB-CD1 3.75Å; F283-I441 HydrophobicContact CB-CD1 4.17Å; F283-I441 HydrophobicContact CB-CG2 4.31Å; V437-I441 HydrophobicContact CG1-CD1 4.2Å; V437-I441 HydrophobicContact CG1-CG1 4.5Å; V437-I441 WeakPolarHBondContact O-CG1 3.49Å; V437-I441 PolarHBondContact O-N 3.45Å; V437-I441 VanDerWaalsContact O-N 3.14Å; L438-I441 PolarHBondContact O-N 3.22Å; L439-I441 VanDerWaalsContact C-N 3.31Å; I441-S444 WeakPolarHBondContact O-CB 3.37Å; I441-S444 PolarHBondContact O-N 2.91Å; I441-M445 HydrophobicContact CG2-CG 3.74Å; I441-M445 WeakPolarHBondContact O-CB 3.43Å; I441-M445 PolarHBondContact O-N 2.88Å
442	Y	78.8	Confident	82.5	Confident	109 Å²	109	54.5 Å²	54.5	43%	0.427	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-52.3	-173.1	176.4	-86.2	0	0	0	113.9	F137 S444 M445 Q446	F137-Y442 PolarHBondContact O-OH 3.09Å; Y442-S444 VanDerWaalsContact C-N 3.28Å; Y442-S444 PolarHBondContact O-N 3.2Å; Y442-M445 PolarHBondContact O-N 3.44Å; Y442-Q446 PolarHBondContact O-N 3.08Å
443	P	77.6	Confident	82.2	Confident	71 Å²	71	57.6 Å²	57.6	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-36.8	177.1	-21.8	33.2	0	0	0	112.8	L439 S440 Q446 K447	L439-P443 WeakPolarHBondContact O-CD 3.37Å; S440-P443 WeakPolarHBondContact O-CD 3.13Å; P443-Q446 PolarHBondContact O-N 2.89Å; P443-K447 PolarHBondContact O-N 2.86Å
444	S	77.1	Confident	81.7	Confident	32 Å²	32	55.8 Å²	55.8	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-45.2	177.5	-169.7	0	0	0	0	111.2	K279 I441 Y442 Q446 K447 S448	K279-S444 VanDerWaalsContact CE-OG 3.28Å; K279-S444 WeakPolarHBondContact CE-OG 3.28Å; I441-S444 WeakPolarHBondContact O-CB 3.37Å; I441-S444 PolarHBondContact O-N 2.91Å; Y442-S444 VanDerWaalsContact C-N 3.28Å; Y442-S444 PolarHBondContact O-N 3.2Å; S444-Q446 VanDerWaalsContact C-N 3.35Å; S444-Q446 PolarHBondContact O-N 2.97Å; S444-K447 WeakPolarHBondContact O-CB 3.5Å; S444-K447 PolarHBondContact O-N 3.5Å; S444-S448 PolarHBondContact O-N 3.36Å; S444-S448 PolarHBondContact O-OG 3.42Å
445	M	80.5	Confident	81.5	Confident	26 Å²	26	56.4 Å²	56.4	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-57.7	-47.2	174.6	-91.3	-74.7	96.9	0	0	111.3	L150 I276 K279 I441 Y442 K447 S448 V449	L150-M445 HydrophobicContact CD2-SD 4.3Å; I276-M445 HydrophobicContact CB-CE 4.21Å; I276-M445 HydrophobicContact CG1-CE 3.94Å; I276-M445 HydrophobicContact CG2-CE 4.42Å; K279-M445 HydrophobicContact CB-CE 3.34Å; K279-M445 HydrophobicContact CB-CG 4.19Å; K279-M445 HydrophobicContact CB-SD 4.34Å; K279-M445 HydrophobicContact CG-CE 4.04Å; I441-M445 HydrophobicContact CG2-CG 3.74Å; I441-M445 WeakPolarHBondContact O-CB 3.43Å; I441-M445 PolarHBondContact O-N 2.88Å; Y442-M445 PolarHBondContact O-N 3.44Å; M445-K447 VanDerWaalsContact C-N 3.28Å; M445-K447 PolarHBondContact O-N 2.85Å; M445-S448 PolarHBondContact O-N 3.43Å; M445-V449 VanDerWaalsContact O-CG2 3.28Å; M445-V449 WeakPolarHBondContact O-CG2 3.32Å; M445-V449 PolarHBondContact O-N 3.1Å
446	Q	77.9	Confident	81.2	Confident	96 Å²	96	55.7 Å²	55.7	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-39.1	178.6	-170.8	173.4	3.9	0	0	112	Y442 P443 S444 G450	Y442-Q446 PolarHBondContact O-N 3.08Å; P443-Q446 PolarHBondContact O-N 2.89Å; S444-Q446 VanDerWaalsContact C-N 3.35Å; S444-Q446 PolarHBondContact O-N 2.97Å; Q446-G450 PolarHBondContact O-N 3.13Å
447	K	79.3	Confident	81.2	Confident	166 Å²	166	57.8 Å²	57.8	72%	0.722	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-46.8	174.3	-173.8	-176.1	177.9	-174.3	0	111.7	P443 S444 M445 V449 G450 A451	P443-K447 PolarHBondContact O-N 2.86Å; S444-K447 WeakPolarHBondContact O-CB 3.5Å; S444-K447 PolarHBondContact O-N 3.5Å; M445-K447 VanDerWaalsContact C-N 3.28Å; M445-K447 PolarHBondContact O-N 2.85Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 3.09Å; K447-G450 PolarHBondContact O-N 3.49Å; K447-A451 PolarHBondContact O-N 2.97Å
448	S	82.1	Confident	81	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.063	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-36.9	-179.6	-49.5	0	0	0	0	111.9	S275 S444 M445 A451 S452	S275-S448 PolarHBondContact OG-OG 3.15Å; S444-S448 PolarHBondContact O-N 3.36Å; S444-S448 PolarHBondContact O-OG 3.42Å; M445-S448 PolarHBondContact O-N 3.43Å; S448-A451 PolarHBondContact O-N 2.79Å; S448-S452 PolarHBondContact O-N 3.14Å
449	V	80.6	Confident	80.9	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-41.7	175.3	176.7	0	0	0	0	111.6	A146 M149 L150 M445 K447 A451 S452 E453	A146-V449 VanDerWaalsContact CA-CG1 3.5Å; A146-V449 HydrophobicContact CB-CB 4.15Å; A146-V449 HydrophobicContact CB-CG1 3.57Å; A146-V449 HydrophobicContact CB-CG2 4.46Å; M149-V449 HydrophobicContact CB-CG1 3.78Å; M149-V449 HydrophobicContact CG-CG1 4.26Å; M149-V449 HydrophobicContact SD-CG1 3.63Å; L150-V449 HydrophobicContact CD1-CG2 4.04Å; L150-V449 HydrophobicContact CD2-CG2 3.87Å; L150-V449 HydrophobicContact CG-CG2 3.7Å; M445-V449 VanDerWaalsContact O-CG2 3.28Å; M445-V449 WeakPolarHBondContact O-CG2 3.32Å; M445-V449 PolarHBondContact O-N 3.1Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 3.09Å; V449-A451 VanDerWaalsContact C-N 3.26Å; V449-A451 PolarHBondContact O-N 3.22Å; V449-S452 WeakPolarHBondContact CA-OG 3.4Å; V449-S452 WeakPolarHBondContact O-CB 3.31Å; V449-S452 PolarHBondContact O-N 3.48Å; V449-S452 PolarHBondContact O-OG 3.21Å; V449-E453 PolarHBondContact O-N 3.42Å; V449-E453 VanDerWaalsContact O-N 3.11Å
450	G	78	Confident	81.1	Confident	39 Å²	39	56.1 Å²	56.1	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-32.7	173.7	0	0	0	0	0	113.2	Q446 K447	Q446-G450 PolarHBondContact O-N 3.13Å; K447-G450 PolarHBondContact O-N 3.49Å
451	A	77.9	Confident	81.2	Confident	46 Å²	46	57.3 Å²	57.3	38%	0.38	29%	0.288	S	S	.	.	H	α-helix	trans	-70.8	-36.4	171.5	0	0	0	0	0	112.2	V272 K447 S448 V449 E453 K454	V272-A451 HydrophobicContact CG2-CB 3.61Å; K447-A451 PolarHBondContact O-N 2.97Å; S448-A451 PolarHBondContact O-N 2.79Å; V449-A451 VanDerWaalsContact C-N 3.26Å; V449-A451 PolarHBondContact O-N 3.22Å; A451-E453 VanDerWaalsContact C-N 3.27Å; A451-E453 PolarHBondContact O-N 3.29Å; A451-K454 PolarHBondContact O-N 3.43Å
452	S	82.8	Confident	81	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-27.5	176.5	81.6	0	0	0	0	113.7	S448 V449 K454 I455 F456	S448-S452 PolarHBondContact O-N 3.14Å; V449-S452 WeakPolarHBondContact CA-OG 3.4Å; V449-S452 WeakPolarHBondContact O-CB 3.31Å; V449-S452 PolarHBondContact O-N 3.48Å; V449-S452 PolarHBondContact O-OG 3.21Å; S452-K454 PolarHBondContact O-N 3.26Å; S452-I455 WeakPolarHBondContact O-CB 3.36Å; S452-I455 PolarHBondContact O-N 3.24Å; S452-F456 VanDerWaalsContact O-CD2 3.32Å; S452-F456 WeakPolarHBondContact O-CD2 3.47Å; S452-F456 PolarHBondContact O-N 3.49Å
453	E	81.6	Confident	80.9	Confident	85 Å²	85	59.9 Å²	59.9	40%	0.397	32%	0.316	S	S	.	.	H	α-helix	trans	-54.9	-41.2	179.2	-177.2	166.4	-158.1	0	0	111.7	M149 V449 A451 F456 E457	M149-E453 HydrophobicContact CE-CB 3.59Å; M149-E453 HydrophobicContact CE-CG 3.48Å; M149-E453 VanDerWaalsContact CE-CG 3.48Å; M149-E453 HydrophobicContact SD-CB 3.91Å; M149-E453 HydrophobicContact SD-CG 4.46Å; V449-E453 PolarHBondContact O-N 3.42Å; V449-E453 VanDerWaalsContact O-N 3.11Å; A451-E453 VanDerWaalsContact C-N 3.27Å; A451-E453 PolarHBondContact O-N 3.29Å; E453-F456 PolarHBondContact O-N 3.32Å; E453-E457 PolarHBondContact O-N 3.43Å
454	K	76.6	Confident	80.3	Confident	121 Å²	121	61.8 Å²	61.8	53%	0.526	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-42	176.2	-66.8	-179.9	-179	175.7	0	111.5	A451 S452 F456 E457 Y458	A451-K454 PolarHBondContact O-N 3.43Å; S452-K454 PolarHBondContact O-N 3.26Å; K454-F456 VanDerWaalsContact C-N 3.3Å; K454-F456 PolarHBondContact O-N 3.35Å; K454-E457 VanDerWaalsContact O-CB 3.22Å; K454-E457 WeakPolarHBondContact O-CB 3.45Å; K454-E457 PolarHBondContact O-N 3.12Å; K454-E457 VanDerWaalsContact O-N 3.11Å; K454-Y458 VanDerWaalsContact O-CD2 3.27Å; K454-Y458 WeakPolarHBondContact O-CD2 3.28Å; K454-Y458 PolarHBondContact O-N 3.32Å; K454-Y458 VanDerWaalsContact O-N 3.15Å
455	I	83.7	Confident	79.5	Confident	15 Å²	15	63 Å²	63	8%	0.077	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-42.4	177.8	-60.1	165.4	0	0	0	110.3	V241 T269 V272 S452 E457 Y458 L459	V241-I455 HydrophobicContact CG1-CG2 4.41Å; V241-I455 HydrophobicContact CG2-CG2 3.52Å; T269-I455 HydrophobicContact CG2-CD1 4.46Å; V272-I455 HydrophobicContact CB-CD1 3.74Å; V272-I455 HydrophobicContact CG1-CD1 3.97Å; V272-I455 HydrophobicContact CG2-CD1 3.76Å; S452-I455 WeakPolarHBondContact O-CB 3.36Å; S452-I455 PolarHBondContact O-N 3.24Å; I455-E457 VanDerWaalsContact C-N 3.31Å; I455-E457 PolarHBondContact O-N 3.01Å; I455-Y458 WeakPolarHBondContact O-CB 3.45Å; I455-Y458 PolarHBondContact O-N 3.16Å; I455-L459 PolarHBondContact O-N 3.16Å
456	F	82.6	Confident	78.4	Confident	13 Å²	13	64.7 Å²	64.7	6%	0.057	35%	0.352	C	S	.	.	H	α-helix	trans	-67.2	-30.9	174.4	-78.8	-69.9	0	0	0	112.8	R152 M153 F156 S452 E453 K454 Y458 L459 D460	R152-F456 HydrophobicContact CB-CE1 4.11Å; R152-F456 HydrophobicContact CB-CZ 4.03Å; M153-F456 HydrophobicContact CG-CE2 3.55Å; M153-F456 HydrophobicContact CG-CZ 3.47Å; M153-F456 VanDerWaalsContact CG-CZ 3.47Å; M153-F456 HydrophobicContact SD-CE2 4.14Å; F156-F456 HydrophobicContact CE2-CE1 4.13Å; F156-F456 HydrophobicContact CE2-CZ 4.38Å; S452-F456 VanDerWaalsContact O-CD2 3.32Å; S452-F456 WeakPolarHBondContact O-CD2 3.47Å; S452-F456 PolarHBondContact O-N 3.49Å; E453-F456 PolarHBondContact O-N 3.32Å; K454-F456 VanDerWaalsContact C-N 3.3Å; K454-F456 PolarHBondContact O-N 3.35Å; F456-Y458 VanDerWaalsContact C-N 3.29Å; F456-Y458 PolarHBondContact O-N 3.11Å; F456-L459 PolarHBondContact O-N 3.44Å; F456-D460 WeakPolarHBondContact O-CB 3.25Å; F456-D460 VanDerWaalsContact O-CG 3.23Å; F456-D460 PolarHBondContact O-N 3.46Å
457	E	84	Confident	77.6	Confident	128 Å²	128	68.1 Å²	68.1	60%	0.598	37%	0.372	S	S	*	.	H	α-helix	trans	-58.6	-41.6	170.2	-169.1	-171.2	167.1	0	0	111.2	E453 K454 I455 R461	E453-E457 PolarHBondContact O-N 3.43Å; K454-E457 VanDerWaalsContact O-CB 3.22Å; K454-E457 WeakPolarHBondContact O-CB 3.45Å; K454-E457 PolarHBondContact O-N 3.12Å; K454-E457 VanDerWaalsContact O-N 3.11Å; I455-E457 VanDerWaalsContact C-N 3.31Å; I455-E457 PolarHBondContact O-N 3.01Å; E457-R461 VanDerWaalsContact O-CB 3.23Å; E457-R461 WeakPolarHBondContact O-CB 3.42Å; E457-R461 PolarHBondContact O-N 2.99Å; E457-R461 VanDerWaalsContact O-N 3.13Å
458	Y	82.6	Confident	77.2	Confident	20 Å²	20	63.4 Å²	63.4	8%	0.078	36%	0.36	C	S	.	.	H	α-helix	trans	-67	-39.3	173.6	-81.3	-99	0	0	0	112.7	V245 F252 R264 K454 I455 F456	V245-Y458 HydrophobicContact CG2-CD1 3.84Å; V245-Y458 HydrophobicContact CG2-CE1 4.45Å; F252-Y458 HydrophobicContact CE1-CD1 4.47Å; F252-Y458 AromaticContact CE1-CE1 3.88Å; F252-Y458 HydrophobicContact CE1-CE1 3.88Å; F252-Y458 HydrophobicContact CE2-CE1 4.29Å; F252-Y458 AromaticContact CZ-CD1 3.94Å; F252-Y458 HydrophobicContact CZ-CD1 3.94Å; F252-Y458 AromaticContact CZ-CE1 3.28Å; F252-Y458 HydrophobicContact CZ-CE1 3.28Å; F252-Y458 AromaticContact CZ-CZ 3.95Å; R264-Y458 WeakPolarHBondContact CD-OH 3.23Å; R264-Y458 PolarHBondContact NH1-OH 3.21Å; K454-Y458 VanDerWaalsContact O-CD2 3.27Å; K454-Y458 WeakPolarHBondContact O-CD2 3.28Å; K454-Y458 PolarHBondContact O-N 3.32Å; K454-Y458 VanDerWaalsContact O-N 3.15Å; I455-Y458 WeakPolarHBondContact O-CB 3.45Å; I455-Y458 PolarHBondContact O-N 3.16Å; F456-Y458 VanDerWaalsContact C-N 3.29Å; F456-Y458 PolarHBondContact O-N 3.11Å
459	L	85.4	Confident	77.1	Confident	45 Å²	45	63.8 Å²	63.8	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-75.3	-34.8	-176	-156.2	149.1	0	0	0	112.3	F156 E240 V241 I455 F456	F156-L459 HydrophobicContact CZ-CD1 4.19Å; E240-L459 HydrophobicContact CB-CD1 4.38Å; V241-L459 HydrophobicContact CG2-CD1 3.93Å; I455-L459 PolarHBondContact O-N 3.16Å; F456-L459 PolarHBondContact O-N 3.44Å
460	D	86.7	Confident	77.4	Confident	76 Å²	76	69.3 Å²	69.3	41%	0.406	40%	0.404	S	S	.	.	H	α-helix	trans	-87.5	-12.7	-179.9	-67	-19.5	0	0	0	113	R152 F456 T462	R152-D460 IonicContact CZ-OD1 3.4Å; R152-D460 IonicContact CZ-OD2 3.98Å; R152-D460 IonicContact NH1-OD1 3.69Å; R152-D460 IonicContact NH1-OD2 2.96Å; R152-D460 PolarHBondContact NH1-OD2 2.8Å; R152-D460 IonicContact NH2-OD1 2.83Å; R152-D460 PolarHBondContact NH2-OD1 3.22Å; R152-D460 IonicContact NH2-OD2 2.84Å; R152-D460 PolarHBondContact NH2-OD2 2.75Å; F456-D460 WeakPolarHBondContact O-CB 3.25Å; F456-D460 VanDerWaalsContact O-CG 3.23Å; F456-D460 PolarHBondContact O-N 3.46Å; D460-T462 PolarHBondContact O-N 2.92Å
461	R	85.2	Confident	77.9	Confident	97 Å²	97	69.9 Å²	69.9	37%	0.366	40%	0.398	S	S	.	.			trans	-64.9	111	176.9	-176.7	176.6	175	121.4	1.7	109.1	Q248 E249 E457	Q248-R461 VanDerWaalsContact CD-NE 3.29Å; E249-R461 IonicContact OE1-CZ 3.41Å; E249-R461 IonicContact OE1-NE 3.76Å; E249-R461 IonicContact OE1-NH2 2.85Å; E249-R461 PolarHBondContact OE1-NH2 3.45Å; E457-R461 VanDerWaalsContact O-CB 3.23Å; E457-R461 WeakPolarHBondContact O-CB 3.42Å; E457-R461 PolarHBondContact O-N 2.99Å; E457-R461 VanDerWaalsContact O-N 3.13Å
462	T	79.5	Confident	78.3	Confident	112 Å²	112	70.5 Å²	70.5	69%	0.687	40%	0.403	S	S	*	.			trans	-75.7	131.3	168.3	52.9	0	0	0	0	109.2	D460	D460-T462 PolarHBondContact O-N 2.92Å
463	P	77.3	Confident	78.6	Confident	55 Å²	55	72.5 Å²	72.5	36%	0.357	42%	0.416	S	S	.	.			trans	-59.5	140.3	174.5	23.7	-31.7	0	0	0	110.9	H247 E249 S465	H247-P463 WeakPolarHBondContact O-CB 3.25Å; E249-P463 WeakPolarHBondContact OE2-CA 3.22Å; P463-S465 PolarHBondContact O-N 2.93Å
464	C	64.6	Low	78.6	Confident	111 Å²	111	76.8 Å²	76.8	75%	0.75	44%	0.441	S	S	*	.	S	Bend	trans	-74.3	-10.3	177.5	-70.5	0	0	0	0	112.5	E249	E249-C464 PolarHBondContact OE2-N 3.33Å
465	S	59.9	Low	78.8	Confident	58 Å²	58	77.8 Å²	77.8	41%	0.406	45%	0.452	S	S	.	.	S	Bend	trans	-72	141.1	175	-176	0	0	0	0	110.5	P463	P463-S465 PolarHBondContact O-N 2.93Å
466	P	57.4	Low	79	Confident	61 Å²	61	77.5 Å²	77.5	40%	0.396	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-54.3	144.6	169.9	21.6	-31.3	0	0	0	110.7	S468 V547	P466-S468 PolarHBondContact O-N 3.14Å; P466-V547 HydrophobicContact CB-CG1 3.85Å; P466-V547 HydrophobicContact CG-CG1 3.4Å; P466-V547 VanDerWaalsContact CG-CG1 3.4Å
467	L	62	Low	79.2	Confident	169 Å²	169	84.6 Å²	84.6	89%	0.885	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-47.9	137.7	167.5	-77.2	140.4	0	0	0	108.9	G469	L467-G469 PolarHBondContact O-N 3.34Å
468	S	70.6	Confident	79.4	Confident	67 Å²	67	78.5 Å²	78.5	47%	0.469	45%	0.453	S	S	.	.			trans	-42.9	128.4	176.5	-165	0	0	0	0	109.5	P466 D550 H551	P466-S468 PolarHBondContact O-N 3.14Å; S468-D550 WeakPolarHBondContact OG-CA 3.39Å; S468-D550 PolarHBondContact OG-OD2 3.45Å; S468-H551 PolarHBondContact OG-N 3.34Å
469	G	79.6	Confident	80	Confident	16 Å²	16	79.6 Å²	79.6	17%	0.165	46%	0.46	C	S	.	.			trans	-64.9	169.9	174.7	0	0	0	0	0	111.1	L467 Q548 Y549 D550	L467-G469 PolarHBondContact O-N 3.34Å; G469-Q548 CarbonylContact C-O 3.32Å; G469-Q548 VanDerWaalsContact CA-O 3.24Å; G469-Q548 WeakPolarHBondContact CA-O 3.46Å; G469-Y549 PolarHBondContact N-O 2.89Å; G469-D550 WeakPolarHBondContact O-CA 3.38Å; G469-D550 WeakPolarHBondContact O-CB 3.24Å; G469-D550 PolarHBondContact O-N 3.36Å
470	S	86.8	Confident	80.5	Confident	121 Å²	121	77.5 Å²	77.5	85%	0.846	45%	0.449	S	S	*	.			trans	-100	-2.6	-179.5	57.8	0	0	0	0	113.6	A472 Q548	S470-A472 PolarHBondContact O-N 3.25Å; S470-Q548 PolarHBondContact N-O 3.36Å
471	L	88.3	Confident	80.9	Confident	50 Å²	50	77.8 Å²	77.8	26%	0.262	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-80.7	115.6	-170.5	-163.5	135	0	0	0	111.1	P473 E544 Q548 Y549 D550	L471-P473 HydrophobicContact CD2-CG 4.02Å; L471-E544 HydrophobicContact CD1-CG 4.16Å; L471-Q548 WeakPolarHBondContact CB-O 2.91Å; L471-Q548 PolarHBondContact N-O 3.48Å; L471-Q548 VanDerWaalsContact N-O 3.07Å; L471-Y549 HydrophobicContact CD2-CD1 3.5Å; L471-Y549 VanDerWaalsContact CD2-CD1 3.5Å; L471-Y549 HydrophobicContact CD2-CD2 4.29Å; L471-Y549 HydrophobicContact CD2-CE1 3.19Å; L471-Y549 HydrophobicContact CD2-CE2 4.03Å; L471-Y549 HydrophobicContact CD2-CG 4.05Å; L471-Y549 VanDerWaalsContact CD2-CZ 3.46Å; L471-Y549 WeakPolarHBondContact O-CA 3.33Å; L471-D550 PolarHBondContact O-N 2.92Å
472	A	88.4	Confident	81.4	Confident	60 Å²	60	73.3 Å²	73.3	50%	0.496	43%	0.429	S	S	.	.			trans	-139.1	73.5	179.1	0	0	0	0	0	110.9	S470 Y553	S470-A472 PolarHBondContact O-N 3.25Å; A472-Y553 HydrophobicContact CB-CD1 4.35Å; A472-Y553 HydrophobicContact CB-CD2 3.81Å; A472-Y553 HydrophobicContact CB-CE2 4.39Å; A472-Y553 HydrophobicContact CB-CG 3.78Å
473	P	88.2	Confident	82.2	Confident	42 Å²	42	72.2 Å²	72.2	27%	0.273	42%	0.417	S	S	.	.			trans	-65.9	144.4	-176.1	22.6	-31.4	0	0	0	112.3	L471 N475 Y549 Y553	L471-P473 HydrophobicContact CD2-CG 4.02Å; P473-N475 VanDerWaalsContact C-N 3.3Å; P473-N475 PolarHBondContact O-N 3.3Å; P473-Y549 HydrophobicContact CG-CE1 4.08Å; P473-Y553 HydrophobicContact CG-CE1 4.05Å; P473-Y553 WeakPolarHBondContact CG-OH 3.27Å; P473-Y553 VanDerWaalsContact O-CE2 3.27Å; P473-Y553 WeakPolarHBondContact O-CE2 3.26Å; P473-Y553 PolarHBondContact O-OH 2.73Å
474	L	80.6	Confident	83	Confident	176 Å²	176	74.6 Å²	74.6	92%	0.921	43%	0.426	S	S	*	.	S	Bend	trans	-65.8	-34.1	177.6	-74.4	159.9	0	0	0	112.5
475	N	82.4	Confident	84.4	Confident	141 Å²	141	69.3 Å²	69.3	75%	0.754	39%	0.39	S	S	*	.			trans	-123.7	120.9	-179.9	-74.4	-29.5	0	0	0	110.1	P473	P473-N475 VanDerWaalsContact C-N 3.3Å; P473-N475 PolarHBondContact O-N 3.3Å
476	M	86.4	Confident	86.1	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.049	38%	0.378	C	S	.	.			trans	-109.5	130.1	173.5	-179.4	178.9	-72.7	0	0	109.4	L541 D542 Y549 Y553 Q557 R639	M476-L541 HydrophobicContact CE-CD2 3.52Å; M476-L541 HydrophobicContact CE-CG 4.27Å; M476-L541 HydrophobicContact SD-CD1 4.38Å; M476-L541 HydrophobicContact SD-CD2 3.89Å; M476-L541 HydrophobicContact SD-CG 4.37Å; M476-D542 WeakPolarHBondContact CA-OD2 3.1Å; M476-D542 VanDerWaalsContact CG-OD2 3.25Å; M476-D542 WeakPolarHBondContact CG-OD2 3.43Å; M476-Y549 HydrophobicContact CE-CD1 4.48Å; M476-Y549 HydrophobicContact CE-CE1 3.97Å; M476-Y553 HydrophobicContact CE-CE1 3.49Å; M476-Y553 VanDerWaalsContact CE-CE1 3.49Å; M476-Q557 HydrophobicContact CE-CB 3.79Å; M476-Q557 HydrophobicContact CE-CG 3.67Å; M476-Q557 HydrophobicContact SD-CB 3.51Å; M476-Q557 VanDerWaalsContact SD-CB 3.51Å; M476-Q557 HydrophobicContact SD-CG 3.82Å; M476-R639 HydrophobicContact CB-CG 4.24Å; M476-R639 HydrophobicContact CG-CB 4.36Å; M476-R639 HydrophobicContact CG-CG 4.39Å; M476-R639 HydrophobicContact SD-CB 4.01Å; M476-R639 HydrophobicContact SD-CG 4.38Å
477	K	87.3	Confident	87.8	Confident	162 Å²	162	64.9 Å²	64.9	70%	0.704	36%	0.36	S	S	*	.			trans	-83.1	-35.3	176.2	-61.7	177.7	-178	175.7	0	110.7	P507 D542	K477-P507 VanDerWaalsContact O-CB 3.28Å; K477-P507 WeakPolarHBondContact O-CB 3.44Å; K477-D542 WeakPolarHBondContact CB-OD1 3.19Å; K477-D542 PolarHBondContact N-OD2 2.95Å
478	G	88.7	Confident	89.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.322	C	S	.	.			trans	89.6	20.7	178.3	0	0	0	0	0	114.1	V480 D542 T672	G478-V480 PolarHBondContact O-N 3.09Å; G478-D542 PolarHBondContact N-OD1 3.08Å; G478-D542 PolarHBondContact N-OD2 3.42Å; G478-T672 WeakPolarHBondContact O-CB 3.38Å; G478-T672 PolarHBondContact O-OG1 3.18Å
479	L	94.3	Very high	90.1	Very high	43 Å²	43	57 Å²	57	23%	0.225	31%	0.311	C	S	.	.			trans	-77.8	117.7	175.5	-179.3	73.6	0	0	0	109.5	T504 Y506 L541 D542	L479-T504 HydrophobicContact CD1-CG2 3.79Å; L479-Y506 HydrophobicContact CD1-CD1 3.82Å; L479-Y506 HydrophobicContact CD1-CE1 4.2Å; L479-L541 CarbonylContact O-C 3.45Å; L479-D542 WeakPolarHBondContact CB-OD1 3.41Å; L479-D542 PolarHBondContact N-OD1 2.94Å; L479-D542 PolarHBondContact O-N 2.95Å
480	V	95.8	Very high	90.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.7	178.5	-172	0	0	0	0	110.9	G478 F482 T504 L505 L528 V539 L540 L541 L640	G478-V480 PolarHBondContact O-N 3.09Å; V480-F482 HydrophobicContact CG1-CD2 4.2Å; V480-F482 HydrophobicContact CG1-CE2 3.96Å; V480-T504 CarbonylContact O-C 3.49Å; V480-T504 VanDerWaalsContact O-CA 3.27Å; V480-T504 WeakPolarHBondContact O-CA 3.29Å; V480-T504 WeakPolarHBondContact O-CG2 3.37Å; V480-L505 HydrophobicContact CB-CB 4.03Å; V480-L505 HydrophobicContact CB-CD1 4.16Å; V480-L505 HydrophobicContact CB-CG 4.28Å; V480-L505 HydrophobicContact CG2-CD1 4.4Å; V480-L505 PolarHBondContact N-O 3.48Å; V480-L505 PolarHBondContact O-N 3.41Å; V480-L528 HydrophobicContact CB-CD2 4.47Å; V480-L528 HydrophobicContact CG1-CD2 3.57Å; V480-L528 HydrophobicContact CG2-CD2 4.41Å; V480-V539 HydrophobicContact CG1-CG1 4.27Å; V480-L540 CarbonylContact C-O 3.6Å; V480-L540 WeakPolarHBondContact CA-O 3.43Å; V480-L541 HydrophobicContact CG2-CD1 3.72Å; V480-L640 HydrophobicContact CG2-CD1 4.2Å; V480-L640 HydrophobicContact CG2-CD2 3.96Å
481	K	96.1	Very high	90.1	Very high	82 Å²	82	55.9 Å²	55.9	36%	0.357	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.6	175.8	-65.4	-177.5	178.4	179.6	0	110.9	T504 L540	K481-T504 HydrophobicContact CG-CG2 3.89Å; K481-L540 HydrophobicContact CB-CB 4.34Å; K481-L540 PolarHBondContact N-O 3.44Å; K481-L540 PolarHBondContact O-N 3.39Å
482	F	96.2	Very high	89.9	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.8	164.8	-79.3	-110.7	0	0	0	108	V480 V485 L501 T502 F503 V524 L527 L528 V539	V480-F482 HydrophobicContact CG1-CD2 4.2Å; V480-F482 HydrophobicContact CG1-CE2 3.96Å; F482-V485 HydrophobicContact CB-CG2 4.12Å; F482-V485 HydrophobicContact CD1-CB 3.9Å; F482-V485 HydrophobicContact CD1-CG1 4.12Å; F482-V485 HydrophobicContact CD1-CG2 3.71Å; F482-V485 HydrophobicContact CE1-CG1 4.41Å; F482-V485 HydrophobicContact CG-CG2 4.29Å; F482-L501 HydrophobicContact CD1-CD2 4.16Å; F482-T502 WeakPolarHBondContact O-CA 3.48Å; F482-T502 WeakPolarHBondContact O-CG2 3.5Å; F482-F503 HydrophobicContact CB-CD1 3.95Å; F482-F503 HydrophobicContact CB-CE1 3.86Å; F482-F503 HydrophobicContact CB-CG 4.48Å; F482-F503 HydrophobicContact CB-CZ 4.34Å; F482-F503 AromaticContact CD1-CE1 3.91Å; F482-F503 HydrophobicContact CD1-CE1 3.91Å; F482-F503 HydrophobicContact CD1-CZ 4.18Å; F482-F503 HydrophobicContact CD2-CD1 4.39Å; F482-F503 HydrophobicContact CD2-CD2 4.41Å; F482-F503 AromaticContact CD2-CE1 3.68Å; F482-F503 HydrophobicContact CD2-CE1 3.68Å; F482-F503 AromaticContact CD2-CE2 3.71Å; F482-F503 HydrophobicContact CD2-CE2 3.71Å; F482-F503 AromaticContact CD2-CZ 3.29Å; F482-F503 HydrophobicContact CD2-CZ 3.29Å; F482-F503 HydrophobicContact CE1-CE1 4.42Å; F482-F503 HydrophobicContact CE1-CZ 4.37Å; F482-F503 HydrophobicContact CE2-CE1 4.21Å; F482-F503 HydrophobicContact CE2-CE2 4.04Å; F482-F503 AromaticContact CE2-CZ 3.51Å; F482-F503 HydrophobicContact CE2-CZ 3.51Å; F482-F503 HydrophobicContact CG-CD1 4.14Å; F482-F503 AromaticContact CG-CE1 3.53Å; F482-F503 HydrophobicContact CG-CE1 3.53Å; F482-F503 HydrophobicContact CG-CE2 4.38Å; F482-F503 AromaticContact CG-CZ 3.68Å; F482-F503 HydrophobicContact CG-CZ 3.68Å; F482-F503 HydrophobicContact CZ-CZ 4.08Å; F482-F503 PolarHBondContact N-O 3.49Å; F482-F503 PolarHBondContact O-N 3.47Å; F482-V524 HydrophobicContact CE1-CG1 4.37Å; F482-V524 HydrophobicContact CZ-CG1 4Å; F482-L527 HydrophobicContact CE1-CB 4.45Å; F482-L527 HydrophobicContact CE1-CD1 4.42Å; F482-L528 HydrophobicContact CE2-CD2 3.49Å; F482-L528 VanDerWaalsContact CE2-CD2 3.49Å; F482-L528 HydrophobicContact CE2-CG 3.96Å; F482-L528 HydrophobicContact CZ-CD2 3.79Å; F482-L528 HydrophobicContact CZ-CG 3.83Å; F482-V539 HydrophobicContact CD1-CG2 3.9Å; F482-V539 HydrophobicContact CD2-CG1 4.27Å; F482-V539 HydrophobicContact CE1-CG1 4.31Å; F482-V539 HydrophobicContact CE1-CG2 3.63Å; F482-V539 HydrophobicContact CE2-CG1 3.85Å; F482-V539 HydrophobicContact CG-CG2 4.47Å; F482-V539 HydrophobicContact CZ-CG1 3.85Å; F482-V539 HydrophobicContact CZ-CG2 4Å
483	Q	95	Very high	89.7	Confident	90 Å²	90	60.9 Å²	60.9	42%	0.421	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	104.6	179.2	-65.9	-178.2	-12.7	0	0	109.7	V485 G537 K538	Q483-V485 PolarHBondContact O-N 2.97Å; Q483-G537 CarbonylContact O-C 3.54Å; Q483-G537 VanDerWaalsContact O-CA 3.23Å; Q483-G537 WeakPolarHBondContact O-CA 3.5Å; Q483-K538 PolarHBondContact N-O 3.07Å; Q483-K538 PolarHBondContact O-N 3.21Å
484	D	94.1	Very high	89.6	Confident	104 Å²	104	66.5 Å²	66.5	56%	0.556	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.8	41.9	176.5	-165.2	33.3	0	0	0	113.5	S486 G500 L501 T502 G537	D484-S486 PolarHBondContact O-N 3.33Å; D484-G500 WeakPolarHBondContact OD1-CA 3.28Å; D484-L501 PolarHBondContact N-O 3.47Å; D484-T502 PolarHBondContact N-OG1 3.3Å; D484-G537 VanDerWaalsContact O-CA 3.27Å; D484-G537 WeakPolarHBondContact O-CA 3.26Å
485	V	95.1	Very high	89.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.4	-170	174.5	0	0	0	0	110.7	F482 Q483 G500 L501 L527 P534 G536 K538 V539	F482-V485 HydrophobicContact CB-CG2 4.12Å; F482-V485 HydrophobicContact CD1-CB 3.9Å; F482-V485 HydrophobicContact CD1-CG1 4.12Å; F482-V485 HydrophobicContact CD1-CG2 3.71Å; F482-V485 HydrophobicContact CE1-CG1 4.41Å; F482-V485 HydrophobicContact CG-CG2 4.29Å; Q483-V485 PolarHBondContact O-N 2.97Å; V485-G500 PolarHBondContact O-N 2.87Å; V485-L501 HydrophobicContact CB-CB 4.26Å; V485-L501 PolarHBondContact N-O 3.25Å; V485-L501 WeakPolarHBondContact O-CB 3.39Å; V485-L501 PolarHBondContact O-N 2.86Å; V485-L527 HydrophobicContact CG1-CD1 3.95Å; V485-P534 HydrophobicContact CG1-CB 3.81Å; V485-G536 WeakPolarHBondContact CA-O 3.18Å; V485-K538 VanDerWaalsContact CG2-O 3.27Å; V485-K538 WeakPolarHBondContact CG2-O 3.43Å; V485-V539 HydrophobicContact CG1-CG2 4.36Å; V485-V539 HydrophobicContact CG2-CG2 3.88Å
486	S	94.1	Very high	90.2	Very high	22 Å²	22	60.5 Å²	60.5	15%	0.154	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.2	171.8	-59.7	0	0	0	0	109.8	D484 L498 G500 T535 G536	D484-S486 PolarHBondContact O-N 3.33Å; S486-L498 VanDerWaalsContact CA-O 3.3Å; S486-L498 WeakPolarHBondContact CA-O 3.48Å; S486-G500 PolarHBondContact OG-N 3.44Å; S486-T535 VanDerWaalsContact C-OG1 3.26Å; S486-T535 PolarHBondContact O-N 2.86Å; S486-T535 PolarHBondContact O-OG1 3.01Å; S486-G536 PolarHBondContact N-O 2.84Å; S486-G536 PolarHBondContact O-N 2.96Å; S486-G536 VanDerWaalsContact O-N 3.11Å
487	F	93.9	Very high	90.5	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.6	-178.4	-179	-100.6	0	0	0	112.9	Y489 V497 L498 T523 L527 Y532 Q533 T535	F487-Y489 AromaticContact CE1-CD1 3.74Å; F487-Y489 HydrophobicContact CE1-CD1 3.74Å; F487-Y489 AromaticContact CE1-CD2 3.88Å; F487-Y489 HydrophobicContact CE1-CD2 3.88Å; F487-Y489 AromaticContact CE1-CE1 3.79Å; F487-Y489 HydrophobicContact CE1-CE1 3.79Å; F487-Y489 AromaticContact CE1-CE2 3.91Å; F487-Y489 HydrophobicContact CE1-CE2 3.91Å; F487-Y489 AromaticContact CE1-CG 3.78Å; F487-Y489 HydrophobicContact CE1-CG 3.78Å; F487-Y489 AromaticContact CE1-CZ 3.87Å; F487-Y489 AromaticContact CZ-CD1 3.94Å; F487-Y489 HydrophobicContact CZ-CD1 3.94Å; F487-Y489 HydrophobicContact CZ-CE1 4.15Å; F487-Y489 HydrophobicContact CZ-CG 4.27Å; F487-V497 PolarHBondContact O-N 3.39Å; F487-L498 HydrophobicContact CB-CB 4.12Å; F487-L498 HydrophobicContact CB-CD1 4.16Å; F487-L498 HydrophobicContact CB-CG 4.32Å; F487-L498 PolarHBondContact N-O 2.88Å; F487-L498 PolarHBondContact O-N 3.05Å; F487-T523 HydrophobicContact CD1-CG2 3.28Å; F487-T523 HydrophobicContact CE1-CG2 3.6Å; F487-T523 HydrophobicContact CG-CG2 4.19Å; F487-L527 HydrophobicContact CB-CD1 4.18Å; F487-L527 HydrophobicContact CD2-CD2 3.88Å; F487-L527 HydrophobicContact CE2-CD2 4.16Å; F487-L527 HydrophobicContact CG-CD1 4.36Å; F487-L527 HydrophobicContact CG-CD2 4.29Å; F487-Y532 HydrophobicContact CE2-CG 4.21Å; F487-Y532 HydrophobicContact CZ-CD1 4.06Å; F487-Y532 HydrophobicContact CZ-CD2 4.4Å; F487-Y532 AromaticContact CZ-CG 3.78Å; F487-Y532 HydrophobicContact CZ-CG 3.78Å; F487-Q533 VanDerWaalsContact CD2-O 3.26Å; F487-Q533 WeakPolarHBondContact CD2-O 3.41Å; F487-Q533 VanDerWaalsContact CE2-O 3.26Å; F487-Q533 WeakPolarHBondContact CE2-O 3.25Å; F487-T535 VanDerWaalsContact CA-OG1 3.29Å; F487-T535 WeakPolarHBondContact CA-OG1 3.27Å; F487-T535 HydrophobicContact CD2-CG2 4.48Å; F487-T535 PolarHBondContact N-OG1 3.4Å
488	A	91.3	Very high	90.8	Very high	10 Å²	10	54 Å²	54	8%	0.083	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.4	169.2	0	0	0	0	0	109.6	P493 V495 T535	A488-P493 WeakPolarHBondContact CB-O 3.37Å; A488-V495 WeakPolarHBondContact CB-O 3.34Å; A488-T535 HydrophobicContact CB-CG2 4.42Å
489	Y	89.3	Confident	91	Very high	60 Å²	60	58.8 Å²	58.8	24%	0.235	31%	0.308	C	S	.	.			trans	-69.5	144.9	178.7	-78.5	-79.9	0	0	0	111.3	L254 F487 N491 H492 V497 T523 Y532	L254-Y489 HydrophobicContact CD1-CD1 4.29Å; F487-Y489 AromaticContact CE1-CD1 3.74Å; F487-Y489 HydrophobicContact CE1-CD1 3.74Å; F487-Y489 AromaticContact CE1-CD2 3.88Å; F487-Y489 HydrophobicContact CE1-CD2 3.88Å; F487-Y489 AromaticContact CE1-CE1 3.79Å; F487-Y489 HydrophobicContact CE1-CE1 3.79Å; F487-Y489 AromaticContact CE1-CE2 3.91Å; F487-Y489 HydrophobicContact CE1-CE2 3.91Å; F487-Y489 AromaticContact CE1-CG 3.78Å; F487-Y489 HydrophobicContact CE1-CG 3.78Å; F487-Y489 AromaticContact CE1-CZ 3.87Å; F487-Y489 AromaticContact CZ-CD1 3.94Å; F487-Y489 HydrophobicContact CZ-CD1 3.94Å; F487-Y489 HydrophobicContact CZ-CE1 4.15Å; F487-Y489 HydrophobicContact CZ-CG 4.27Å; Y489-N491 PolarHBondContact O-N 2.97Å; Y489-H492 CarbonylContact O-C 3.57Å; Y489-H492 PolarHBondContact O-N 2.89Å; Y489-V497 HydrophobicContact CD2-CG2 3.81Å; Y489-V497 HydrophobicContact CE2-CG2 4.02Å; Y489-T523 HydrophobicContact CE2-CG2 4.19Å; Y489-T523 PolarHBondContact OH-OG1 2.97Å; Y489-Y532 HydrophobicContact CD1-CE1 4.36Å; Y489-Y532 HydrophobicContact CE1-CD2 4.37Å; Y489-Y532 HydrophobicContact CE1-CE1 4.47Å; Y489-Y532 AromaticContact CE1-CE2 4Å; Y489-Y532 HydrophobicContact CE1-CE2 4Å
490	P	83.7	Confident	90.8	Very high	56 Å²	56	58.2 Å²	58.2	36%	0.364	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.3	179.4	-26.1	34.6	0	0	0	115.7	K255	K255-P490 VanDerWaalsContact CE-O 3.27Å; K255-P490 WeakPolarHBondContact CE-O 3.25Å; K255-P490 PolarHBondContact NZ-O 3.31Å
491	N	82.1	Confident	90.7	Very high	59 Å²	59	58.2 Å²	58.2	32%	0.316	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-26.6	176.5	-68.9	6.7	0	0	0	112.1	L254 K255 Y489	L254-N491 PolarHBondContact O-ND2 3.47Å; L254-N491 VanDerWaalsContact O-ND2 3.15Å; K255-N491 WeakPolarHBondContact CE-OD1 2.91Å; K255-N491 WeakPolarHBondContact CG-OD1 2.87Å; Y489-N491 PolarHBondContact O-N 2.97Å
492	H	85.1	Confident	90.7	Very high	126 Å²	126	58.1 Å²	58.1	58%	0.583	32%	0.318	S	S	*	.			trans	-137.5	68.6	-178.4	-62.5	-67.8	0	0	0	110	Y489 N494 V495	Y489-H492 CarbonylContact O-C 3.57Å; Y489-H492 PolarHBondContact O-N 2.89Å; H492-N494 PolarHBondContact O-N 3.32Å; H492-N494 VanDerWaalsContact O-N 3.13Å; H492-V495 HydrophobicContact CB-CB 4.36Å; H492-V495 HydrophobicContact CB-CG2 4.41Å; H492-V495 PolarHBondContact O-N 3.28Å; H492-V495 VanDerWaalsContact O-N 3.1Å
493	P	83.5	Confident	90.6	Very high	89 Å²	89	58.3 Å²	58.3	58%	0.578	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.3	-174.4	26.2	-35.4	0	0	0	113.2	A488 V495	A488-P493 WeakPolarHBondContact CB-O 3.37Å; P493-V495 VanDerWaalsContact C-N 3.32Å
494	N	86.9	Confident	90.6	Very high	159 Å²	159	55.6 Å²	55.6	85%	0.85	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.2	-179.4	-62.7	-12.4	0	0	0	113.4	H492	H492-N494 PolarHBondContact O-N 3.32Å; H492-N494 VanDerWaalsContact O-N 3.13Å
495	V	87.8	Confident	90.7	Very high	90 Å²	90	50.6 Å²	50.6	55%	0.545	28%	0.282	S	S	.	.	S	Bend	trans	-109.4	103.7	-178.8	-176.7	0	0	0	0	108.5	A488 H492 P493 V497	A488-V495 WeakPolarHBondContact CB-O 3.34Å; H492-V495 HydrophobicContact CB-CB 4.36Å; H492-V495 HydrophobicContact CB-CG2 4.41Å; H492-V495 PolarHBondContact O-N 3.28Å; H492-V495 VanDerWaalsContact O-N 3.1Å; P493-V495 VanDerWaalsContact C-N 3.32Å; V495-V497 PolarHBondContact O-N 3.3Å
496	Q	88.7	Confident	90.6	Very high	102 Å²	102	55.9 Å²	55.9	48%	0.477	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.1	174.4	-71.6	-174.4	-15.1	0	0	109.9	Q499	Q496-Q499 HydrophobicContact CB-CG 4.09Å
497	V	92.6	Very high	90.4	Very high	36 Å²	36	57.6 Å²	57.6	22%	0.218	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-35.2	177.1	179	0	0	0	0	111	F487 Y489 V495 T523 G695	F487-V497 PolarHBondContact O-N 3.39Å; Y489-V497 HydrophobicContact CD2-CG2 3.81Å; Y489-V497 HydrophobicContact CE2-CG2 4.02Å; V495-V497 PolarHBondContact O-N 3.3Å; V497-T523 HydrophobicContact CG1-CG2 4.27Å; V497-G695 WeakPolarHBondContact O-CA 3.44Å
498	L	93.3	Very high	90.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.4	174.2	-57.8	178.1	0	0	0	109.4	S486 F487 L501 T523 V524 L527 G695	S486-L498 VanDerWaalsContact CA-O 3.3Å; S486-L498 WeakPolarHBondContact CA-O 3.48Å; F487-L498 HydrophobicContact CB-CB 4.12Å; F487-L498 HydrophobicContact CB-CD1 4.16Å; F487-L498 HydrophobicContact CB-CG 4.32Å; F487-L498 PolarHBondContact N-O 2.88Å; F487-L498 PolarHBondContact O-N 3.05Å; L498-L501 HydrophobicContact CD1-CD2 4.14Å; L498-L501 HydrophobicContact CD2-CD2 4.21Å; L498-T523 HydrophobicContact CD1-CG2 3.91Å; L498-T523 HydrophobicContact CG-CG2 4.13Å; L498-V524 HydrophobicContact CD1-CG2 4.21Å; L498-V524 HydrophobicContact CD2-CG2 4.21Å; L498-L527 HydrophobicContact CD1-CD1 3.48Å; L498-L527 VanDerWaalsContact CD1-CD1 3.48Å; L498-G695 WeakPolarHBondContact CA-O 3.39Å
499	Q	92.8	Very high	90.2	Very high	100 Å²	100	62.9 Å²	62.9	47%	0.467	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	103.2	-173.4	-60.2	179.7	19.8	0	0	109.5	Q496 L501 G695	Q496-Q499 HydrophobicContact CB-CG 4.09Å; Q499-L501 VanDerWaalsContact C-N 3.32Å; Q499-L501 PolarHBondContact O-N 3.13Å; Q499-G695 PolarHBondContact N-O 3.07Å
500	G	90.6	Very high	90.3	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.6	34.8	175	0	0	0	0	0	115.6	D484 V485 S486 T502	D484-G500 WeakPolarHBondContact OD1-CA 3.28Å; V485-G500 PolarHBondContact O-N 2.87Å; S486-G500 PolarHBondContact OG-N 3.44Å; G500-T502 PolarHBondContact O-N 3.13Å; G500-T502 PolarHBondContact O-OG1 2.94Å
501	L	93.4	Very high	90.8	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	121	-171.5	-165.3	73.7	0	0	0	112	F482 D484 V485 L498 Q499 F503 V524 L692 V697	F482-L501 HydrophobicContact CD1-CD2 4.16Å; D484-L501 PolarHBondContact N-O 3.47Å; V485-L501 HydrophobicContact CB-CB 4.26Å; V485-L501 PolarHBondContact N-O 3.25Å; V485-L501 WeakPolarHBondContact O-CB 3.39Å; V485-L501 PolarHBondContact O-N 2.86Å; L498-L501 HydrophobicContact CD1-CD2 4.14Å; L498-L501 HydrophobicContact CD2-CD2 4.21Å; Q499-L501 VanDerWaalsContact C-N 3.32Å; Q499-L501 PolarHBondContact O-N 3.13Å; L501-F503 HydrophobicContact CD2-CD1 4.24Å; L501-F503 HydrophobicContact CD2-CE1 3.58Å; L501-F503 HydrophobicContact CG-CD1 3.96Å; L501-F503 HydrophobicContact CG-CE1 3.82Å; L501-V524 HydrophobicContact CD2-CG2 3.63Å; L501-L692 HydrophobicContact CD1-CD1 3.41Å; L501-L692 VanDerWaalsContact CD1-CD1 3.41Å; L501-V697 HydrophobicContact CD1-CG2 3.5Å; L501-V697 HydrophobicContact CG-CG2 4.41Å
502	T	94.6	Very high	91.4	Very high	80 Å²	80	54.8 Å²	54.8	49%	0.491	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	116.1	-178.3	-58.8	0	0	0	0	111.2	F482 D484 G500	F482-T502 WeakPolarHBondContact O-CA 3.48Å; F482-T502 WeakPolarHBondContact O-CG2 3.5Å; D484-T502 PolarHBondContact N-OG1 3.3Å; G500-T502 PolarHBondContact O-N 3.13Å; G500-T502 PolarHBondContact O-OG1 2.94Å
503	F	95	Very high	91.8	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	170.3	173.7	65.5	-87.2	0	0	0	110.7	F482 L501 L505 V524 L690 V697	F482-F503 HydrophobicContact CB-CD1 3.95Å; F482-F503 HydrophobicContact CB-CE1 3.86Å; F482-F503 HydrophobicContact CB-CG 4.48Å; F482-F503 HydrophobicContact CB-CZ 4.34Å; F482-F503 AromaticContact CD1-CE1 3.91Å; F482-F503 HydrophobicContact CD1-CE1 3.91Å; F482-F503 HydrophobicContact CD1-CZ 4.18Å; F482-F503 HydrophobicContact CD2-CD1 4.39Å; F482-F503 HydrophobicContact CD2-CD2 4.41Å; F482-F503 AromaticContact CD2-CE1 3.68Å; F482-F503 HydrophobicContact CD2-CE1 3.68Å; F482-F503 AromaticContact CD2-CE2 3.71Å; F482-F503 HydrophobicContact CD2-CE2 3.71Å; F482-F503 AromaticContact CD2-CZ 3.29Å; F482-F503 HydrophobicContact CD2-CZ 3.29Å; F482-F503 HydrophobicContact CE1-CE1 4.42Å; F482-F503 HydrophobicContact CE1-CZ 4.37Å; F482-F503 HydrophobicContact CE2-CE1 4.21Å; F482-F503 HydrophobicContact CE2-CE2 4.04Å; F482-F503 AromaticContact CE2-CZ 3.51Å; F482-F503 HydrophobicContact CE2-CZ 3.51Å; F482-F503 HydrophobicContact CG-CD1 4.14Å; F482-F503 AromaticContact CG-CE1 3.53Å; F482-F503 HydrophobicContact CG-CE1 3.53Å; F482-F503 HydrophobicContact CG-CE2 4.38Å; F482-F503 AromaticContact CG-CZ 3.68Å; F482-F503 HydrophobicContact CG-CZ 3.68Å; F482-F503 HydrophobicContact CZ-CZ 4.08Å; F482-F503 PolarHBondContact N-O 3.49Å; F482-F503 PolarHBondContact O-N 3.47Å; L501-F503 HydrophobicContact CD2-CD1 4.24Å; L501-F503 HydrophobicContact CD2-CE1 3.58Å; L501-F503 HydrophobicContact CG-CD1 3.96Å; L501-F503 HydrophobicContact CG-CE1 3.82Å; F503-L505 HydrophobicContact CD2-CD2 3.95Å; F503-L505 HydrophobicContact CD2-CG 4.2Å; F503-L505 HydrophobicContact CE2-CD1 4.26Å; F503-L505 HydrophobicContact CE2-CD2 3.71Å; F503-L505 HydrophobicContact CE2-CG 3.78Å; F503-V524 HydrophobicContact CE1-CG1 4.39Å; F503-V524 HydrophobicContact CZ-CG1 3.8Å; F503-L690 HydrophobicContact CB-CD1 4.08Å; F503-L690 HydrophobicContact CB-CD2 4.15Å; F503-L690 HydrophobicContact CD1-CD1 4.34Å; F503-L690 HydrophobicContact CD2-CD1 3.44Å; F503-L690 VanDerWaalsContact CD2-CD1 3.44Å; F503-L690 HydrophobicContact CE2-CD1 3.91Å; F503-L690 HydrophobicContact CG-CD1 3.69Å; F503-V697 HydrophobicContact CD1-CG2 4.27Å
504	T	95.2	Very high	92.2	Very high	32 Å²	32	45 Å²	45	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.3	179.4	-58.2	0	0	0	0	110.8	L479 V480 K481 Y506	L479-T504 HydrophobicContact CD1-CG2 3.79Å; V480-T504 CarbonylContact O-C 3.49Å; V480-T504 VanDerWaalsContact O-CA 3.27Å; V480-T504 WeakPolarHBondContact O-CA 3.29Å; V480-T504 WeakPolarHBondContact O-CG2 3.37Å; K481-T504 HydrophobicContact CG-CG2 3.89Å; T504-Y506 HydrophobicContact CG2-CD1 4.3Å; T504-Y506 HydrophobicContact CG2-CD2 4.34Å; T504-Y506 HydrophobicContact CG2-CE1 3.87Å; T504-Y506 HydrophobicContact CG2-CE2 3.91Å
505	L	95.1	Very high	92.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.8	169.6	-52.8	177.6	0	0	0	109	V480 F503 T511 L528 L640 T672 L674	V480-L505 HydrophobicContact CB-CB 4.03Å; V480-L505 HydrophobicContact CB-CD1 4.16Å; V480-L505 HydrophobicContact CB-CG 4.28Å; V480-L505 HydrophobicContact CG2-CD1 4.4Å; V480-L505 PolarHBondContact N-O 3.48Å; V480-L505 PolarHBondContact O-N 3.41Å; F503-L505 HydrophobicContact CD2-CD2 3.95Å; F503-L505 HydrophobicContact CD2-CG 4.2Å; F503-L505 HydrophobicContact CE2-CD1 4.26Å; F503-L505 HydrophobicContact CE2-CD2 3.71Å; F503-L505 HydrophobicContact CE2-CG 3.78Å; L505-T511 HydrophobicContact CD2-CG2 3.66Å; L505-L528 HydrophobicContact CD1-CD1 4.19Å; L505-L640 HydrophobicContact CD1-CD1 4.42Å; L505-T672 HydrophobicContact CB-CG2 3.58Å; L505-T672 HydrophobicContact CD1-CG2 4.47Å; L505-L674 HydrophobicContact CD1-CB 4.24Å; L505-L674 HydrophobicContact CD1-CD1 4.46Å; L505-L674 HydrophobicContact CD2-CD1 4.15Å
506	Y	92.9	Very high	92.3	Very high	111 Å²	111	36.7 Å²	36.7	44%	0.435	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-101.9	143.9	-175.2	-67	-84.2	0	0	0	111.9	L479 T504 K509	L479-Y506 HydrophobicContact CD1-CD1 3.82Å; L479-Y506 HydrophobicContact CD1-CE1 4.2Å; T504-Y506 HydrophobicContact CG2-CD1 4.3Å; T504-Y506 HydrophobicContact CG2-CD2 4.34Å; T504-Y506 HydrophobicContact CG2-CE1 3.87Å; T504-Y506 HydrophobicContact CG2-CE2 3.91Å; Y506-K509 PolarHBondContact O-N 3.07Å
507	P	91.6	Very high	92.2	Very high	57 Å²	57	38 Å²	38	37%	0.37	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	141	174	28.7	-35.5	0	0	0	111.9	K477 K509 T672	K477-P507 VanDerWaalsContact O-CB 3.28Å; K477-P507 WeakPolarHBondContact O-CB 3.44Å; P507-K509 PolarHBondContact O-N 3.07Å; P507-T672 VanDerWaalsContact CA-OG1 3.27Å; P507-T672 WeakPolarHBondContact CA-OG1 3.41Å
508	G	88.8	Confident	91.7	Very high	26 Å²	26	40.1 Å²	40.1	27%	0.268	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	9.2	-178.3	0	0	0	0	0	114.3	A669 R671	G508-A669 VanDerWaalsContact CA-O 3.24Å; G508-A669 WeakPolarHBondContact CA-O 3.33Å; G508-R671 VanDerWaalsContact CA-O 3.25Å; G508-R671 WeakPolarHBondContact CA-O 3.34Å; G508-R671 PolarHBondContact N-O 3.3Å
509	K	90.8	Very high	91.4	Very high	99 Å²	99	40.2 Å²	40.2	43%	0.43	25%	0.245	S	C	.	.			trans	-118.7	139.4	178.3	-63.6	-165.3	-177	-179.7	0	111.5	Y506 P507 V673 H687	Y506-K509 PolarHBondContact O-N 3.07Å; P507-K509 PolarHBondContact O-N 3.07Å; K509-V673 PolarHBondContact O-N 3.14Å; K509-H687 HydrophobicContact CB-CB 4.2Å; K509-H687 HydrophobicContact CD-CB 4.44Å; K509-H687 HydrophobicContact CG-CB 4.45Å
510	V	92.4	Very high	91.2	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.5	169.1	-175.1	0	0	0	0	108.9	Y663 V673 L675 H687 H688	V510-Y663 HydrophobicContact CB-CE1 3.86Å; V510-Y663 HydrophobicContact CG1-CE1 4.06Å; V510-Y663 HydrophobicContact CG2-CD1 4.19Å; V510-Y663 HydrophobicContact CG2-CE1 3.85Å; V510-V673 HydrophobicContact CB-CB 4.41Å; V510-V673 HydrophobicContact CG1-CB 4.26Å; V510-V673 HydrophobicContact CG1-CG1 4.21Å; V510-V673 HydrophobicContact CG2-CB 4.13Å; V510-V673 HydrophobicContact CG2-CG2 4.32Å; V510-L675 HydrophobicContact CG1-CB 4.4Å; V510-H687 PolarHBondContact N-ND1 3.48Å; V510-H687 PolarHBondContact O-N 3.33Å; V510-H688 PolarHBondContact O-N 3.45Å
511	T	94.5	Very high	91.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.5	175	-54	0	0	0	0	109.5	L505 V673 L674 L675 H688 L690	L505-T511 HydrophobicContact CD2-CG2 3.66Å; T511-V673 PolarHBondContact N-O 3.03Å; T511-L674 WeakPolarHBondContact O-CA 3.24Å; T511-L675 PolarHBondContact O-N 3.48Å; T511-H688 CarbonylContact C-O 3.55Å; T511-H688 VanDerWaalsContact CA-O 3.23Å; T511-H688 WeakPolarHBondContact CA-O 3.45Å; T511-H688 HydrophobicContact CG2-CB 4.22Å; T511-L690 HydrophobicContact CG2-CD1 3.73Å; T511-L690 HydrophobicContact CG2-CG 3.87Å
512	A	94.3	Very high	91.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.8	174.4	0	0	0	0	0	110.9	V514 L675 A683 A686 H688 I689 L690	A512-V514 HydrophobicContact CB-CG2 4.35Å; A512-L675 CarbonylContact C-O 3.58Å; A512-L675 WeakPolarHBondContact CA-O 3.27Å; A512-A683 HydrophobicContact CB-CB 4.31Å; A512-A686 HydrophobicContact CB-CB 3.54Å; A512-H688 PolarHBondContact N-O 3Å; A512-I689 HydrophobicContact CB-CG1 4.39Å; A512-I689 CarbonylContact O-C 3.56Å; A512-I689 WeakPolarHBondContact O-CA 3.43Å; A512-L690 PolarHBondContact O-N 3.15Å
513	L	94.1	Very high	91	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.3	174	-176.9	66.2	0	0	0	109.3	K521 V524 L674 L675 I676 L690 L692	L513-K521 HydrophobicContact CD2-CB 4.05Å; L513-K521 HydrophobicContact CD2-CG 4.25Å; L513-K521 HydrophobicContact CG-CB 4.48Å; L513-K521 HydrophobicContact CG-CG 4.22Å; L513-V524 HydrophobicContact CD2-CB 4.06Å; L513-V524 HydrophobicContact CD2-CG1 4.23Å; L513-V524 HydrophobicContact CD2-CG2 4.2Å; L513-L674 HydrophobicContact CB-CD1 4.01Å; L513-L675 PolarHBondContact N-O 3.07Å; L513-I676 HydrophobicContact CB-CG1 4.12Å; L513-I676 HydrophobicContact CD2-CD1 4.47Å; L513-I676 HydrophobicContact CD2-CG1 4.1Å; L513-L690 WeakPolarHBondContact CA-O 3.34Å; L513-L690 HydrophobicContact CD1-CB 3.71Å; L513-L690 HydrophobicContact CD1-CD1 4.44Å; L513-L692 HydrophobicContact CD1-CB 3.97Å; L513-L692 HydrophobicContact CD1-CD1 4.49Å; L513-L692 HydrophobicContact CD1-CD2 4.48Å
514	V	92.1	Very high	91	Very high	7 Å²	7	34 Å²	34	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153	-170.1	-138.4	0	0	0	0	110.2	A512 T677 A683 I689 L690 F691 L692 Y713 M716	A512-V514 HydrophobicContact CB-CG2 4.35Å; V514-T677 WeakPolarHBondContact CG1-O 3.33Å; V514-A683 HydrophobicContact CG2-CB 4.37Å; V514-I689 HydrophobicContact CG2-CG2 3.65Å; V514-L690 PolarHBondContact N-O 3.25Å; V514-F691 CarbonylContact O-C 3.15Å; V514-F691 WeakPolarHBondContact O-CA 3.37Å; V514-L692 PolarHBondContact O-N 2.94Å; V514-Y713 HydrophobicContact CG2-CE2 4.47Å; V514-M716 HydrophobicContact CB-CE 4.15Å; V514-M716 HydrophobicContact CB-SD 4.48Å; V514-M716 HydrophobicContact CG1-CE 3.51Å; V514-M716 HydrophobicContact CG1-SD 3.81Å
515	G	90	Very high	90.9	Very high	9 Å²	9	32.7 Å²	32.7	9%	0.093	20%	0.203	C	C	.	.			trans	153.9	171.9	177.8	0	0	0	0	0	112.8	K521	G515-K521 PolarHBondContact O-NZ 3.32Å
516	P	86.3	Confident	90.8	Very high	66 Å²	66	33.2 Å²	33.2	43%	0.429	21%	0.207	S	C	.	.			trans	-62.3	160.7	-176.4	25.2	-33.9	0	0	0	113.1	S519 K521	P516-S519 WeakPolarHBondContact O-CB 3.4Å; P516-S519 PolarHBondContact O-N 3.19Å; P516-S519 PolarHBondContact O-OG 3.5Å; P516-K521 PolarHBondContact O-NZ 2.9Å
517	N	85.3	Confident	90.8	Very high	129 Å²	129	28 Å²	28	69%	0.69	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	140.2	172.7	-70.3	-19.4	0	0	0	110.4	S519 Q678	N517-S519 VanDerWaalsContact C-N 3.33Å; N517-S519 PolarHBondContact O-N 3.31Å; N517-Q678 PolarHBondContact OD1-NE2 3.43Å
518	G	82.9	Confident	90.8	Very high	81 Å²	81	25.4 Å²	25.4	84%	0.835	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	2.5	-177.1	0	0	0	0	0	115.8	G520	G518-G520 PolarHBondContact O-N 3.34Å
519	S	87.3	Confident	91	Very high	3 Å²	3	26 Å²	26	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-72.7	-5.8	179.8	66.3	0	0	0	0	115.9	P516 N517 K521 L692 G695	P516-S519 WeakPolarHBondContact O-CB 3.4Å; P516-S519 PolarHBondContact O-N 3.19Å; P516-S519 PolarHBondContact O-OG 3.5Å; N517-S519 VanDerWaalsContact C-N 3.33Å; N517-S519 PolarHBondContact O-N 3.31Å; S519-K521 WeakPolarHBondContact OG-CG 3.45Å; S519-L692 VanDerWaalsContact CB-O 3.26Å; S519-L692 WeakPolarHBondContact CB-O 3.33Å; S519-L692 WeakPolarHBondContact O-CD2 3.4Å; S519-L692 PolarHBondContact OG-O 3.5Å; S519-G695 WeakPolarHBondContact O-CA 3.38Å; S519-G695 PolarHBondContact O-N 3.07Å
520	G	88.9	Confident	91	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	15%	0.152	C	C	.	.	S	Bend	trans	101.7	10.2	179.1	0	0	0	0	0	115.8	G518 T523 V524	G518-G520 PolarHBondContact O-N 3.34Å; G520-T523 WeakPolarHBondContact O-CA 3.37Å; G520-T523 VanDerWaalsContact O-CB 3.24Å; G520-T523 WeakPolarHBondContact O-CB 3.21Å; G520-T523 PolarHBondContact O-N 3.46Å; G520-T523 VanDerWaalsContact O-N 3.11Å; G520-V524 PolarHBondContact O-N 3.41Å
521	K	91.6	Very high	90.8	Very high	17 Å²	17	25.2 Å²	25.2	7%	0.074	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-52.5	-176.8	-54.3	-177.7	-62.7	-81.2	0	113.4	L513 G515 P516 S519 T523 V524 A525 I676 L692	L513-K521 HydrophobicContact CD2-CB 4.05Å; L513-K521 HydrophobicContact CD2-CG 4.25Å; L513-K521 HydrophobicContact CG-CB 4.48Å; L513-K521 HydrophobicContact CG-CG 4.22Å; G515-K521 PolarHBondContact O-NZ 3.32Å; P516-K521 PolarHBondContact O-NZ 2.9Å; S519-K521 WeakPolarHBondContact OG-CG 3.45Å; K521-T523 PolarHBondContact O-N 3Å; K521-V524 WeakPolarHBondContact O-CB 3.24Å; K521-V524 PolarHBondContact O-N 3.49Å; K521-V524 VanDerWaalsContact O-N 3.1Å; K521-A525 PolarHBondContact O-N 2.91Å; K521-I676 HydrophobicContact CB-CD1 4.29Å; K521-I676 HydrophobicContact CB-CG1 4.48Å; K521-I676 HydrophobicContact CB-CG2 3.7Å; K521-I676 HydrophobicContact CD-CG2 3.87Å; K521-I676 HydrophobicContact CG-CG2 4.34Å; K521-I676 WeakPolarHBondContact O-CD1 3.32Å; K521-L692 HydrophobicContact CG-CD2 4.07Å
522	S	90.2	Very high	90.6	Very high	57 Å²	57	26.8 Å²	26.8	40%	0.399	17%	0.172	S	C	.	.	H	α-helix	trans	-65.8	-25.6	177.1	-50.6	0	0	0	0	112.3	A525 A526 D644	S522-A525 PolarHBondContact O-N 3.45Å; S522-A526 WeakPolarHBondContact O-CB 3.25Å; S522-A526 PolarHBondContact O-N 2.98Å; S522-D644 WeakPolarHBondContact CB-OD2 3.3Å; S522-D644 PolarHBondContact OG-OD2 3.37Å
523	T	92.6	Very high	90.3	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-39.9	172.8	-49.3	0	0	0	0	111.4	F487 Y489 V497 L498 G520 K521 A525 A526 L527	F487-T523 HydrophobicContact CD1-CG2 3.28Å; F487-T523 HydrophobicContact CE1-CG2 3.6Å; F487-T523 HydrophobicContact CG-CG2 4.19Å; Y489-T523 HydrophobicContact CE2-CG2 4.19Å; Y489-T523 PolarHBondContact OH-OG1 2.97Å; V497-T523 HydrophobicContact CG1-CG2 4.27Å; L498-T523 HydrophobicContact CD1-CG2 3.91Å; L498-T523 HydrophobicContact CG-CG2 4.13Å; G520-T523 WeakPolarHBondContact O-CA 3.37Å; G520-T523 VanDerWaalsContact O-CB 3.24Å; G520-T523 WeakPolarHBondContact O-CB 3.21Å; G520-T523 PolarHBondContact O-N 3.46Å; G520-T523 VanDerWaalsContact O-N 3.11Å; K521-T523 PolarHBondContact O-N 3Å; T523-A525 VanDerWaalsContact C-N 3.35Å; T523-A526 PolarHBondContact O-N 2.96Å; T523-L527 WeakPolarHBondContact O-CG 3.48Å; T523-L527 PolarHBondContact O-N 2.65Å
524	V	93.9	Very high	90.2	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-45.9	172.3	176.4	0	0	0	0	110.7	F482 L498 L501 F503 L513 G520 K521 A526 L527 L528 L674	F482-V524 HydrophobicContact CE1-CG1 4.37Å; F482-V524 HydrophobicContact CZ-CG1 4Å; L498-V524 HydrophobicContact CD1-CG2 4.21Å; L498-V524 HydrophobicContact CD2-CG2 4.21Å; L501-V524 HydrophobicContact CD2-CG2 3.63Å; F503-V524 HydrophobicContact CE1-CG1 4.39Å; F503-V524 HydrophobicContact CZ-CG1 3.8Å; L513-V524 HydrophobicContact CD2-CB 4.06Å; L513-V524 HydrophobicContact CD2-CG1 4.23Å; L513-V524 HydrophobicContact CD2-CG2 4.2Å; G520-V524 PolarHBondContact O-N 3.41Å; K521-V524 WeakPolarHBondContact O-CB 3.24Å; K521-V524 PolarHBondContact O-N 3.49Å; K521-V524 VanDerWaalsContact O-N 3.1Å; V524-A526 VanDerWaalsContact C-N 3.3Å; V524-A526 PolarHBondContact O-N 3.27Å; V524-L527 PolarHBondContact O-N 2.95Å; V524-L528 HydrophobicContact CG1-CD1 4.36Å; V524-L528 WeakPolarHBondContact O-CG 3.42Å; V524-L528 PolarHBondContact O-N 2.94Å; V524-L674 HydrophobicContact CG1-CD2 4.19Å
525	A	93.3	Very high	90.1	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-39.2	175.1	0	0	0	0	0	112.6	K521 S522 T523 Q529 I642 I676	K521-A525 PolarHBondContact O-N 2.91Å; S522-A525 PolarHBondContact O-N 3.45Å; T523-A525 VanDerWaalsContact C-N 3.35Å; A525-Q529 WeakPolarHBondContact O-CG 3.32Å; A525-Q529 PolarHBondContact O-N 3.19Å; A525-Q529 PolarHBondContact O-NE2 2.88Å; A525-I642 HydrophobicContact CB-CG2 3.73Å; A525-I676 HydrophobicContact CB-CD1 3.86Å
526	A	92.1	Very high	90.1	Very high	11 Å²	11	35.6 Å²	35.6	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-70.5	-37.5	179.1	0	0	0	0	0	112.9	S522 T523 V524 Q529 N530 L531 Y532	S522-A526 WeakPolarHBondContact O-CB 3.25Å; S522-A526 PolarHBondContact O-N 2.98Å; T523-A526 PolarHBondContact O-N 2.96Å; V524-A526 VanDerWaalsContact C-N 3.3Å; V524-A526 PolarHBondContact O-N 3.27Å; A526-Q529 PolarHBondContact O-N 2.93Å; A526-N530 PolarHBondContact O-N 2.88Å; A526-L531 HydrophobicContact CB-CD1 4.46Å; A526-L531 WeakPolarHBondContact O-CB 3.3Å; A526-L531 PolarHBondContact O-N 3.41Å; A526-Y532 HydrophobicContact CB-CD2 3.81Å; A526-Y532 HydrophobicContact CB-CE2 4.05Å
527	L	92.9	Very high	90.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-39.6	174.3	-70.5	177.4	0	0	0	112	F482 V485 F487 L498 T523 V524 Q529 N530 Y532 L546	F482-L527 HydrophobicContact CE1-CB 4.45Å; F482-L527 HydrophobicContact CE1-CD1 4.42Å; V485-L527 HydrophobicContact CG1-CD1 3.95Å; F487-L527 HydrophobicContact CB-CD1 4.18Å; F487-L527 HydrophobicContact CD2-CD2 3.88Å; F487-L527 HydrophobicContact CE2-CD2 4.16Å; F487-L527 HydrophobicContact CG-CD1 4.36Å; F487-L527 HydrophobicContact CG-CD2 4.29Å; L498-L527 HydrophobicContact CD1-CD1 3.48Å; L498-L527 VanDerWaalsContact CD1-CD1 3.48Å; T523-L527 WeakPolarHBondContact O-CG 3.48Å; T523-L527 PolarHBondContact O-N 2.65Å; V524-L527 PolarHBondContact O-N 2.95Å; L527-Q529 VanDerWaalsContact C-N 3.28Å; L527-Q529 PolarHBondContact O-N 3.33Å; L527-N530 WeakPolarHBondContact O-CA 3.34Å; L527-N530 PolarHBondContact O-N 3.05Å; L527-Y532 VanDerWaalsContact CD2-O 3.32Å; L527-Y532 WeakPolarHBondContact CD2-O 3.49Å; L527-L546 VanDerWaalsContact O-CD1 3.29Å; L527-L546 WeakPolarHBondContact O-CD1 3.45Å
528	L	93.1	Very high	90.8	Very high	2 Å²	2	34 Å²	34	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-36.4	175.1	-80.5	176.7	0	0	0	113.4	V480 F482 L505 V524 N530 V539 L640 I642 L674	V480-L528 HydrophobicContact CB-CD2 4.47Å; V480-L528 HydrophobicContact CG1-CD2 3.57Å; V480-L528 HydrophobicContact CG2-CD2 4.41Å; F482-L528 HydrophobicContact CE2-CD2 3.49Å; F482-L528 VanDerWaalsContact CE2-CD2 3.49Å; F482-L528 HydrophobicContact CE2-CG 3.96Å; F482-L528 HydrophobicContact CZ-CD2 3.79Å; F482-L528 HydrophobicContact CZ-CG 3.83Å; L505-L528 HydrophobicContact CD1-CD1 4.19Å; V524-L528 HydrophobicContact CG1-CD1 4.36Å; V524-L528 WeakPolarHBondContact O-CG 3.42Å; V524-L528 PolarHBondContact O-N 2.94Å; L528-N530 PolarHBondContact O-N 3.29Å; L528-V539 HydrophobicContact CD2-CG1 4.47Å; L528-L640 HydrophobicContact CD2-CD2 4.22Å; L528-I642 HydrophobicContact CB-CD1 3.61Å; L528-I642 HydrophobicContact CD1-CD1 3.94Å; L528-I642 HydrophobicContact CD1-CG1 4.28Å; L528-I642 HydrophobicContact CG-CD1 4.43Å; L528-L674 HydrophobicContact CD1-CD2 3.35Å
529	Q	91.8	Very high	91.4	Very high	40 Å²	40	30.6 Å²	30.6	19%	0.187	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	1.3	174.5	-70.7	172.2	81	0	0	112.6	A525 A526 L527 L531 H555 V558 A560 I642	A525-Q529 WeakPolarHBondContact O-CG 3.32Å; A525-Q529 PolarHBondContact O-N 3.19Å; A525-Q529 PolarHBondContact O-NE2 2.88Å; A526-Q529 PolarHBondContact O-N 2.93Å; L527-Q529 VanDerWaalsContact C-N 3.28Å; L527-Q529 PolarHBondContact O-N 3.33Å; Q529-L531 HydrophobicContact CB-CD1 4.1Å; Q529-L531 HydrophobicContact CB-CD2 4.43Å; Q529-L531 HydrophobicContact CB-CG 3.72Å; Q529-L531 PolarHBondContact O-N 3.14Å; Q529-L531 VanDerWaalsContact O-N 3.14Å; Q529-H555 PolarHBondContact O-CE1 3.46Å; Q529-H555 PolarHBondContact O-NE2 3.44Å; Q529-V558 HydrophobicContact CG-CG1 4.29Å; Q529-A560 HydrophobicContact CG-CB 4.01Å; Q529-A560 VanDerWaalsContact OE1-CB 3.31Å; Q529-I642 HydrophobicContact CG-CD1 3.94Å
530	N	91.2	Very high	91.7	Very high	25 Å²	25	31.3 Å²	31.3	13%	0.134	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	29.3	-175.1	-160.8	35	0	0	0	113	A526 L527 L528 Y532 Q533 L546 L554	A526-N530 PolarHBondContact O-N 2.88Å; L527-N530 WeakPolarHBondContact O-CA 3.34Å; L527-N530 PolarHBondContact O-N 3.05Å; L528-N530 PolarHBondContact O-N 3.29Å; N530-Y532 VanDerWaalsContact C-N 3.29Å; N530-Q533 PolarHBondContact OD1-NE2 3.03Å; N530-L546 HydrophobicContact CB-CB 4.4Å; N530-L554 HydrophobicContact CB-CD2 3.51Å
531	L	89.3	Confident	92	Very high	62 Å²	62	31.1 Å²	31.1	33%	0.325	18%	0.182	S	C	.	.	S	Bend	trans	-74.1	-26.3	175.9	-62	178.7	0	0	0	111.6	T250 A526 Q529	T250-L531 HydrophobicContact CG2-CB 4.23Å; T250-L531 HydrophobicContact CG2-CD2 4.18Å; T250-L531 PolarHBondContact OG1-O 3.39Å; A526-L531 HydrophobicContact CB-CD1 4.46Å; A526-L531 WeakPolarHBondContact O-CB 3.3Å; A526-L531 PolarHBondContact O-N 3.41Å; Q529-L531 HydrophobicContact CB-CD1 4.1Å; Q529-L531 HydrophobicContact CB-CD2 4.43Å; Q529-L531 HydrophobicContact CB-CG 3.72Å; Q529-L531 PolarHBondContact O-N 3.14Å; Q529-L531 VanDerWaalsContact O-N 3.14Å
532	Y	89.4	Confident	92	Very high	33 Å²	33	32.6 Å²	32.6	13%	0.129	19%	0.19	C	C	.	.	S	Bend	trans	-134.3	153.5	173.3	-58.6	-82.7	0	0	0	109.7	T250 L254 F487 Y489 A526 L527 N530	T250-Y532 WeakPolarHBondContact OG1-CE1 3.46Å; T250-Y532 VanDerWaalsContact OG1-CZ 3.27Å; T250-Y532 PolarHBondContact OG1-OH 3.18Å; L254-Y532 HydrophobicContact CD1-CE1 4.24Å; L254-Y532 WeakPolarHBondContact CD1-OH 3.44Å; F487-Y532 HydrophobicContact CE2-CG 4.21Å; F487-Y532 HydrophobicContact CZ-CD1 4.06Å; F487-Y532 HydrophobicContact CZ-CD2 4.4Å; F487-Y532 AromaticContact CZ-CG 3.78Å; F487-Y532 HydrophobicContact CZ-CG 3.78Å; Y489-Y532 HydrophobicContact CD1-CE1 4.36Å; Y489-Y532 HydrophobicContact CE1-CD2 4.37Å; Y489-Y532 HydrophobicContact CE1-CE1 4.47Å; Y489-Y532 AromaticContact CE1-CE2 4Å; Y489-Y532 HydrophobicContact CE1-CE2 4Å; A526-Y532 HydrophobicContact CB-CD2 3.81Å; A526-Y532 HydrophobicContact CB-CE2 4.05Å; L527-Y532 VanDerWaalsContact CD2-O 3.32Å; L527-Y532 WeakPolarHBondContact CD2-O 3.49Å; N530-Y532 VanDerWaalsContact C-N 3.29Å
533	Q	88.3	Confident	92.1	Very high	57 Å²	57	32 Å²	32	27%	0.266	19%	0.193	S	C	.	.			trans	-92.6	140.3	172.1	-65.1	-58.3	-30.1	0	0	110.4	F487 N530	F487-Q533 VanDerWaalsContact CD2-O 3.26Å; F487-Q533 WeakPolarHBondContact CD2-O 3.41Å; F487-Q533 VanDerWaalsContact CE2-O 3.26Å; F487-Q533 WeakPolarHBondContact CE2-O 3.25Å; N530-Q533 PolarHBondContact OD1-NE2 3.03Å
534	P	91.6	Very high	92.1	Very high	32 Å²	32	35.5 Å²	35.5	21%	0.208	21%	0.209	C	C	.	.			trans	-62.5	143.4	172.3	29.6	-35	0	0	0	110.4	V485	V485-P534 HydrophobicContact CG1-CB 3.81Å
535	T	90.1	Very high	92	Very high	87 Å²	87	36.9 Å²	36.9	53%	0.534	22%	0.218	S	C	.	.	S	Bend	trans	-79.8	-24.3	176.3	55.8	0	0	0	0	112	S486 F487 A488	S486-T535 VanDerWaalsContact C-OG1 3.26Å; S486-T535 PolarHBondContact O-N 2.86Å; S486-T535 PolarHBondContact O-OG1 3.01Å; F487-T535 VanDerWaalsContact CA-OG1 3.29Å; F487-T535 WeakPolarHBondContact CA-OG1 3.27Å; F487-T535 HydrophobicContact CD2-CG2 4.48Å; F487-T535 PolarHBondContact N-OG1 3.4Å; A488-T535 HydrophobicContact CB-CG2 4.42Å
536	G	90.7	Very high	91.9	Very high	26 Å²	26	37.1 Å²	37.1	27%	0.268	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.3	172.1	0	0	0	0	0	111	V485 S486	V485-G536 WeakPolarHBondContact CA-O 3.18Å; S486-G536 PolarHBondContact N-O 2.84Å; S486-G536 PolarHBondContact O-N 2.96Å; S486-G536 VanDerWaalsContact O-N 3.11Å
537	G	92.8	Very high	91.7	Very high	39 Å²	39	39.1 Å²	39.1	40%	0.402	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-166.2	-175.9	0	0	0	0	0	113.9	Q483 D484	Q483-G537 CarbonylContact O-C 3.54Å; Q483-G537 VanDerWaalsContact O-CA 3.23Å; Q483-G537 WeakPolarHBondContact O-CA 3.5Å; D484-G537 VanDerWaalsContact O-CA 3.27Å; D484-G537 WeakPolarHBondContact O-CA 3.26Å
538	K	93.4	Very high	91.5	Very high	123 Å²	123	43.1 Å²	43.1	54%	0.535	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.7	-178.5	-63.2	-178.6	-176.5	176.3	0	112.1	Q483 V485 L540	Q483-K538 PolarHBondContact N-O 3.07Å; Q483-K538 PolarHBondContact O-N 3.21Å; V485-K538 VanDerWaalsContact CG2-O 3.27Å; V485-K538 WeakPolarHBondContact CG2-O 3.43Å; K538-L540 HydrophobicContact CB-CD2 4.2Å
539	V	94.9	Very high	91.4	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.7	167.2	-173.3	0	0	0	0	107.9	V480 F482 V485 L528 P545 L546	V480-V539 HydrophobicContact CG1-CG1 4.27Å; F482-V539 HydrophobicContact CD1-CG2 3.9Å; F482-V539 HydrophobicContact CD2-CG1 4.27Å; F482-V539 HydrophobicContact CE1-CG1 4.31Å; F482-V539 HydrophobicContact CE1-CG2 3.63Å; F482-V539 HydrophobicContact CE2-CG1 3.85Å; F482-V539 HydrophobicContact CG-CG2 4.47Å; F482-V539 HydrophobicContact CZ-CG1 3.85Å; F482-V539 HydrophobicContact CZ-CG2 4Å; V485-V539 HydrophobicContact CG1-CG2 4.36Å; V485-V539 HydrophobicContact CG2-CG2 3.88Å; L528-V539 HydrophobicContact CD2-CG1 4.47Å; V539-P545 WeakPolarHBondContact O-CA 3.29Å; V539-L546 HydrophobicContact CB-CD1 3.92Å; V539-L546 HydrophobicContact CB-CG 4.32Å; V539-L546 HydrophobicContact CG1-CD1 3.46Å; V539-L546 VanDerWaalsContact CG1-CD1 3.46Å; V539-L546 HydrophobicContact CG1-CG 4.01Å; V539-L546 PolarHBondContact O-N 3.35Å; V539-L546 VanDerWaalsContact O-N 3.12Å
540	L	94.8	Very high	91.4	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.1	-177.4	-52.1	175.6	0	0	0	110.2	V480 K481 K538 E544 P545	V480-L540 CarbonylContact C-O 3.6Å; V480-L540 WeakPolarHBondContact CA-O 3.43Å; K481-L540 HydrophobicContact CB-CB 4.34Å; K481-L540 PolarHBondContact N-O 3.44Å; K481-L540 PolarHBondContact O-N 3.39Å; K538-L540 HydrophobicContact CB-CD2 4.2Å; L540-E544 CarbonylContact C-O 3.59Å; L540-E544 VanDerWaalsContact CA-O 3.25Å; L540-E544 WeakPolarHBondContact CA-O 3.5Å; L540-P545 HydrophobicContact CD2-CB 4.2Å; L540-P545 HydrophobicContact CD2-CG 3.8Å
541	L	93.8	Very high	91.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.2	168.1	-179.9	64.4	0	0	0	107.3	M476 L479 V480 G543 E544 L546 Y549 L554	M476-L541 HydrophobicContact CE-CD2 3.52Å; M476-L541 HydrophobicContact CE-CG 4.27Å; M476-L541 HydrophobicContact SD-CD1 4.38Å; M476-L541 HydrophobicContact SD-CD2 3.89Å; M476-L541 HydrophobicContact SD-CG 4.37Å; L479-L541 CarbonylContact O-C 3.45Å; V480-L541 HydrophobicContact CG2-CD1 3.72Å; L541-G543 PolarHBondContact O-N 2.95Å; L541-E544 PolarHBondContact N-O 3.33Å; L541-E544 PolarHBondContact O-N 3.42Å; L541-L546 HydrophobicContact CB-CD2 3.73Å; L541-L546 HydrophobicContact CD2-CD2 4.08Å; L541-Y549 HydrophobicContact CB-CE2 3.94Å; L541-Y549 HydrophobicContact CD2-CE1 4.28Å; L541-Y549 HydrophobicContact CD2-CE2 4.34Å; L541-Y549 HydrophobicContact CG-CE2 4.46Å; L541-Y549 PolarHBondContact O-OH 3.45Å; L541-L554 HydrophobicContact CD2-CD1 3.79Å
542	D	92.9	Very high	91.2	Very high	47 Å²	47	49.5 Å²	49.5	25%	0.251	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	22.7	-175.5	-68.6	-20	0	0	0	115.8	M476 K477 G478 L479	M476-D542 WeakPolarHBondContact CA-OD2 3.1Å; M476-D542 VanDerWaalsContact CG-OD2 3.25Å; M476-D542 WeakPolarHBondContact CG-OD2 3.43Å; K477-D542 WeakPolarHBondContact CB-OD1 3.19Å; K477-D542 PolarHBondContact N-OD2 2.95Å; G478-D542 PolarHBondContact N-OD1 3.08Å; G478-D542 PolarHBondContact N-OD2 3.42Å; L479-D542 WeakPolarHBondContact CB-OD1 3.41Å; L479-D542 PolarHBondContact N-OD1 2.94Å; L479-D542 PolarHBondContact O-N 2.95Å
543	G	91.3	Very high	91.2	Very high	45 Å²	45	49.3 Å²	49.3	46%	0.464	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-14.2	-179.2	0	0	0	0	0	114.5	L541	L541-G543 PolarHBondContact O-N 2.95Å
544	E	92.7	Very high	91.4	Very high	81 Å²	81	46.6 Å²	46.6	38%	0.379	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.7	-179.3	-64	-60	162.6	0	0	112	L471 L540 L541 Q548 Y549	L471-E544 HydrophobicContact CD1-CG 4.16Å; L540-E544 CarbonylContact C-O 3.59Å; L540-E544 VanDerWaalsContact CA-O 3.25Å; L540-E544 WeakPolarHBondContact CA-O 3.5Å; L541-E544 PolarHBondContact N-O 3.33Å; L541-E544 PolarHBondContact O-N 3.42Å; E544-Q548 PolarHBondContact OE2-OE1 2.94Å; E544-Y549 HydrophobicContact CB-CE2 3.83Å
545	P	92.4	Very high	91.3	Very high	30 Å²	30	47 Å²	47	20%	0.195	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	139.5	175.3	-20.9	31.5	0	0	0	112.8	V539 L540 V547 Q548 Y549	V539-P545 WeakPolarHBondContact O-CA 3.29Å; L540-P545 HydrophobicContact CD2-CB 4.2Å; L540-P545 HydrophobicContact CD2-CG 3.8Å; P545-V547 PolarHBondContact O-N 3.44Å; P545-Q548 HydrophobicContact CB-CG 4.38Å; P545-Q548 HydrophobicContact CG-CG 4.46Å; P545-Q548 PolarHBondContact O-N 3.16Å; P545-Y549 WeakPolarHBondContact O-CD2 3.34Å
546	L	90.4	Very high	91.3	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-53.5	-30.1	178.3	-73.5	-179.9	0	0	0	113.9	L527 N530 V539 L541 Q548 Y549 L554	L527-L546 VanDerWaalsContact O-CD1 3.29Å; L527-L546 WeakPolarHBondContact O-CD1 3.45Å; N530-L546 HydrophobicContact CB-CB 4.4Å; V539-L546 HydrophobicContact CB-CD1 3.92Å; V539-L546 HydrophobicContact CB-CG 4.32Å; V539-L546 HydrophobicContact CG1-CD1 3.46Å; V539-L546 VanDerWaalsContact CG1-CD1 3.46Å; V539-L546 HydrophobicContact CG1-CG 4.01Å; V539-L546 PolarHBondContact O-N 3.35Å; V539-L546 VanDerWaalsContact O-N 3.12Å; L541-L546 HydrophobicContact CB-CD2 3.73Å; L541-L546 HydrophobicContact CD2-CD2 4.08Å; L546-Q548 PolarHBondContact O-N 3Å; L546-Y549 PolarHBondContact O-N 3.31Å; L546-L554 HydrophobicContact CD2-CD1 3.92Å; L546-L554 HydrophobicContact CD2-CD2 4.43Å
547	V	87.8	Confident	91.3	Very high	53 Å²	53	45.7 Å²	45.7	32%	0.321	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-61.2	-29	177.8	-176.5	0	0	0	0	113.4	P466 P545 Y549	P466-V547 HydrophobicContact CB-CG1 3.85Å; P466-V547 HydrophobicContact CG-CG1 3.4Å; P466-V547 VanDerWaalsContact CG-CG1 3.4Å; P545-V547 PolarHBondContact O-N 3.44Å; V547-Y549 VanDerWaalsContact C-N 3.34Å
548	Q	89.9	Confident	91.3	Very high	87 Å²	87	44 Å²	44	41%	0.407	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-82.3	-15.7	-175.8	-62	-174.1	11.5	0	0	113.2	G469 S470 L471 E544 P545 L546	G469-Q548 CarbonylContact C-O 3.32Å; G469-Q548 VanDerWaalsContact CA-O 3.24Å; G469-Q548 WeakPolarHBondContact CA-O 3.46Å; S470-Q548 PolarHBondContact N-O 3.36Å; L471-Q548 WeakPolarHBondContact CB-O 2.91Å; L471-Q548 PolarHBondContact N-O 3.48Å; L471-Q548 VanDerWaalsContact N-O 3.07Å; E544-Q548 PolarHBondContact OE2-OE1 2.94Å; P545-Q548 HydrophobicContact CB-CG 4.38Å; P545-Q548 HydrophobicContact CG-CG 4.46Å; P545-Q548 PolarHBondContact O-N 3.16Å; L546-Q548 PolarHBondContact O-N 3Å
549	Y	90.6	Very high	91.3	Very high	6 Å²	6	38.3 Å²	38.3	2%	0.024	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-74.1	144.4	177.8	-73.2	-94	0	0	0	111.1	G469 L471 P473 M476 L541 E544 P545 L546 V547 H551 Y553	G469-Y549 PolarHBondContact N-O 2.89Å; L471-Y549 HydrophobicContact CD2-CD1 3.5Å; L471-Y549 VanDerWaalsContact CD2-CD1 3.5Å; L471-Y549 HydrophobicContact CD2-CD2 4.29Å; L471-Y549 HydrophobicContact CD2-CE1 3.19Å; L471-Y549 HydrophobicContact CD2-CE2 4.03Å; L471-Y549 HydrophobicContact CD2-CG 4.05Å; L471-Y549 VanDerWaalsContact CD2-CZ 3.46Å; L471-Y549 WeakPolarHBondContact O-CA 3.33Å; P473-Y549 HydrophobicContact CG-CE1 4.08Å; M476-Y549 HydrophobicContact CE-CD1 4.48Å; M476-Y549 HydrophobicContact CE-CE1 3.97Å; L541-Y549 HydrophobicContact CB-CE2 3.94Å; L541-Y549 HydrophobicContact CD2-CE1 4.28Å; L541-Y549 HydrophobicContact CD2-CE2 4.34Å; L541-Y549 HydrophobicContact CG-CE2 4.46Å; L541-Y549 PolarHBondContact O-OH 3.45Å; E544-Y549 HydrophobicContact CB-CE2 3.83Å; P545-Y549 WeakPolarHBondContact O-CD2 3.34Å; L546-Y549 PolarHBondContact O-N 3.31Å; V547-Y549 VanDerWaalsContact C-N 3.34Å; Y549-H551 PolarHBondContact O-N 3.48Å; Y549-Y553 AromaticContact CD1-CD1 3.97Å; Y549-Y553 HydrophobicContact CD1-CD1 3.97Å; Y549-Y553 AromaticContact CD1-CE1 3.91Å; Y549-Y553 HydrophobicContact CD1-CE1 3.91Å; Y549-Y553 HydrophobicContact CE1-CE1 4.16Å
550	D	90.8	Very high	91.2	Very high	49 Å²	49	39.6 Å²	39.6	26%	0.262	22%	0.215	S	C	.	.			trans	-63.7	132.2	165.9	173.9	-104.1	0	0	0	109.8	S468 G469 L471 H552 Y553 L554	S468-D550 WeakPolarHBondContact OG-CA 3.39Å; S468-D550 PolarHBondContact OG-OD2 3.45Å; G469-D550 WeakPolarHBondContact O-CA 3.38Å; G469-D550 WeakPolarHBondContact O-CB 3.24Å; G469-D550 PolarHBondContact O-N 3.36Å; L471-D550 PolarHBondContact O-N 2.92Å; D550-H552 PolarHBondContact O-N 3.44Å; D550-H552 WeakPolarHBondContact OD1-CB 3.33Å; D550-H552 PolarHBondContact OD1-N 2.94Å; D550-H552 VanDerWaalsContact OD1-N 3.08Å; D550-Y553 PolarHBondContact O-N 3.23Å; D550-Y553 PolarHBondContact OD1-N 3.41Å; D550-L554 WeakPolarHBondContact O-CB 3.49Å; D550-L554 PolarHBondContact O-N 3.36Å
551	H	87.9	Confident	91.1	Very high	103 Å²	103	38.9 Å²	38.9	48%	0.477	21%	0.212	S	C	.	.	H	α-helix	trans	-59.1	-44.6	-176.6	176.6	78.8	0	0	0	112.1	S468 Y549 L554 H555	S468-H551 PolarHBondContact OG-N 3.34Å; Y549-H551 PolarHBondContact O-N 3.48Å; H551-L554 PolarHBondContact O-N 3.42Å; H551-H555 AromaticContact CE1-CD2 3.12Å; H551-H555 PolarHBondContact CE1-CD2 3.25Å; H551-H555 AromaticContact CE1-NE2 3.04Å; H551-H555 PolarHBondContact CE1-NE2 3.35Å; H551-H555 AromaticContact CG-CD2 3.89Å; H551-H555 AromaticContact ND1-CD2 3.34Å; H551-H555 PolarHBondContact ND1-CD2 3.39Å; H551-H555 VanDerWaalsContact ND1-CD2 3.34Å; H551-H555 AromaticContact ND1-NE2 3.37Å; H551-H555 PolarHBondContact ND1-NE2 3.22Å; H551-H555 AromaticContact NE2-CD2 3.55Å; H551-H555 AromaticContact NE2-NE2 3.87Å; H551-H555 PolarHBondContact O-CD2 2.9Å; H551-H555 PolarHBondContact O-N 3.26Å; H551-H555 VanDerWaalsContact O-N 3.1Å
552	H	88.4	Confident	90.9	Very high	104 Å²	104	40.4 Å²	40.4	48%	0.481	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-46.1	179	-176.3	-73.3	0	0	0	110	D550 L554 H555 T556	D550-H552 PolarHBondContact O-N 3.44Å; D550-H552 WeakPolarHBondContact OD1-CB 3.33Å; D550-H552 PolarHBondContact OD1-N 2.94Å; D550-H552 VanDerWaalsContact OD1-N 3.08Å; H552-L554 PolarHBondContact O-N 3.48Å; H552-H555 PolarHBondContact O-N 3.23Å; H552-T556 WeakPolarHBondContact O-CG2 3.31Å; H552-T556 PolarHBondContact O-N 3.12Å
553	Y	90.5	Very high	90.6	Very high	30 Å²	30	42.9 Å²	42.9	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-49.3	175	176.6	-94.8	0	0	0	112.1	A472 P473 M476 Y549 D550 H555 T556 Q557	A472-Y553 HydrophobicContact CB-CD1 4.35Å; A472-Y553 HydrophobicContact CB-CD2 3.81Å; A472-Y553 HydrophobicContact CB-CE2 4.39Å; A472-Y553 HydrophobicContact CB-CG 3.78Å; P473-Y553 HydrophobicContact CG-CE1 4.05Å; P473-Y553 WeakPolarHBondContact CG-OH 3.27Å; P473-Y553 VanDerWaalsContact O-CE2 3.27Å; P473-Y553 WeakPolarHBondContact O-CE2 3.26Å; P473-Y553 PolarHBondContact O-OH 2.73Å; M476-Y553 HydrophobicContact CE-CE1 3.49Å; M476-Y553 VanDerWaalsContact CE-CE1 3.49Å; Y549-Y553 AromaticContact CD1-CD1 3.97Å; Y549-Y553 HydrophobicContact CD1-CD1 3.97Å; Y549-Y553 AromaticContact CD1-CE1 3.91Å; Y549-Y553 HydrophobicContact CD1-CE1 3.91Å; Y549-Y553 HydrophobicContact CE1-CE1 4.16Å; D550-Y553 PolarHBondContact O-N 3.23Å; D550-Y553 PolarHBondContact OD1-N 3.41Å; Y553-H555 VanDerWaalsContact C-N 3.33Å; Y553-H555 PolarHBondContact O-N 3.07Å; Y553-T556 PolarHBondContact O-N 3.04Å; Y553-T556 PolarHBondContact O-OG1 3.03Å; Y553-Q557 HydrophobicContact CD1-CG 4.44Å; Y553-Q557 HydrophobicContact CE1-CG 3.91Å; Y553-Q557 HydrophobicContact CE2-CG 4.17Å; Y553-Q557 PolarHBondContact O-N 3.01Å
554	L	91.5	Very high	90.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.2	-45.8	-179.9	-177.4	67.1	0	0	0	111.7	N530 L541 L546 D550 H551 H552 T556 Q557 V558	N530-L554 HydrophobicContact CB-CD2 3.51Å; L541-L554 HydrophobicContact CD2-CD1 3.79Å; L546-L554 HydrophobicContact CD2-CD1 3.92Å; L546-L554 HydrophobicContact CD2-CD2 4.43Å; D550-L554 WeakPolarHBondContact O-CB 3.49Å; D550-L554 PolarHBondContact O-N 3.36Å; H551-L554 PolarHBondContact O-N 3.42Å; H552-L554 PolarHBondContact O-N 3.48Å; L554-T556 VanDerWaalsContact C-N 3.27Å; L554-T556 PolarHBondContact O-N 3.49Å; L554-Q557 PolarHBondContact O-N 2.79Å; L554-V558 HydrophobicContact CD1-CG2 3.71Å; L554-V558 HydrophobicContact CG-CG2 4.19Å; L554-V558 WeakPolarHBondContact O-CB 3.47Å; L554-V558 WeakPolarHBondContact O-CG2 3.29Å; L554-V558 PolarHBondContact O-N 3.19Å
555	H	90.8	Very high	89.8	Confident	40 Å²	40	45.3 Å²	45.3	19%	0.185	24%	0.239	C	C	.	.	H	α-helix	trans	-77.2	-6.2	-179.7	-73.6	-71	0	0	0	114.9	Q529 H551 H552 Y553 R636	Q529-H555 PolarHBondContact O-CE1 3.46Å; Q529-H555 PolarHBondContact O-NE2 3.44Å; H551-H555 AromaticContact CE1-CD2 3.12Å; H551-H555 PolarHBondContact CE1-CD2 3.25Å; H551-H555 AromaticContact CE1-NE2 3.04Å; H551-H555 PolarHBondContact CE1-NE2 3.35Å; H551-H555 AromaticContact CG-CD2 3.89Å; H551-H555 AromaticContact ND1-CD2 3.34Å; H551-H555 PolarHBondContact ND1-CD2 3.39Å; H551-H555 VanDerWaalsContact ND1-CD2 3.34Å; H551-H555 AromaticContact ND1-NE2 3.37Å; H551-H555 PolarHBondContact ND1-NE2 3.22Å; H551-H555 AromaticContact NE2-CD2 3.55Å; H551-H555 AromaticContact NE2-NE2 3.87Å; H551-H555 PolarHBondContact O-CD2 2.9Å; H551-H555 PolarHBondContact O-N 3.26Å; H551-H555 VanDerWaalsContact O-N 3.1Å; H552-H555 PolarHBondContact O-N 3.23Å; Y553-H555 VanDerWaalsContact C-N 3.33Å; Y553-H555 PolarHBondContact O-N 3.07Å; H555-R636 PolarHBondContact O-NH1 3.27Å
556	T	89.1	Confident	89.5	Confident	47 Å²	47	49.6 Å²	49.6	29%	0.288	26%	0.26	S	S	.	.	H	α-helix	trans	-80.6	-33.3	162.3	66	0	0	0	0	111.8	H552 Y553 L554	H552-T556 WeakPolarHBondContact O-CG2 3.31Å; H552-T556 PolarHBondContact O-N 3.12Å; Y553-T556 PolarHBondContact O-N 3.04Å; Y553-T556 PolarHBondContact O-OG1 3.03Å; L554-T556 VanDerWaalsContact C-N 3.27Å; L554-T556 PolarHBondContact O-N 3.49Å
557	Q	91.4	Very high	89.4	Confident	38 Å²	38	49.5 Å²	49.5	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-90.1	-28	-176.9	-57.2	-55.5	-49.9	0	0	113.2	M476 Y553 L554 P638 R639 L640	M476-Q557 HydrophobicContact CE-CB 3.79Å; M476-Q557 HydrophobicContact CE-CG 3.67Å; M476-Q557 HydrophobicContact SD-CB 3.51Å; M476-Q557 VanDerWaalsContact SD-CB 3.51Å; M476-Q557 HydrophobicContact SD-CG 3.82Å; Y553-Q557 HydrophobicContact CD1-CG 4.44Å; Y553-Q557 HydrophobicContact CE1-CG 3.91Å; Y553-Q557 HydrophobicContact CE2-CG 4.17Å; Y553-Q557 PolarHBondContact O-N 3.01Å; L554-Q557 PolarHBondContact O-N 2.79Å; Q557-P638 CarbonylContact O-C 3.5Å; Q557-P638 WeakPolarHBondContact O-CA 3.49Å; Q557-P638 VanDerWaalsContact O-CB 3.28Å; Q557-P638 WeakPolarHBondContact O-CB 3.23Å; Q557-R639 PolarHBondContact O-N 3.03Å; Q557-L640 PolarHBondContact O-N 3.13Å
558	V	92.8	Very high	89.5	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.3	178.8	-175.4	0	0	0	0	109.2	Q529 L554 L640 I642	Q529-V558 HydrophobicContact CG-CG1 4.29Å; L554-V558 HydrophobicContact CD1-CG2 3.71Å; L554-V558 HydrophobicContact CG-CG2 4.19Å; L554-V558 WeakPolarHBondContact O-CB 3.47Å; L554-V558 WeakPolarHBondContact O-CG2 3.29Å; L554-V558 PolarHBondContact O-N 3.19Å; V558-L640 WeakPolarHBondContact CA-O 3.44Å; V558-L640 HydrophobicContact CG1-CB 4.48Å; V558-L640 HydrophobicContact CG1-CD2 4.01Å; V558-L640 HydrophobicContact CG1-CG 4.33Å; V558-L640 HydrophobicContact CG2-CB 4.14Å; V558-L640 HydrophobicContact CG2-CD2 3.98Å; V558-I642 HydrophobicContact CG1-CD1 3.93Å
559	A	93.2	Very high	89.4	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.033	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.8	170.2	0	0	0	0	0	110.3	A633 P638 L640 L641 I642	A559-A633 HydrophobicContact CB-CB 3.86Å; A559-P638 HydrophobicContact CB-CB 3.75Å; A559-P638 HydrophobicContact CB-CG 3.69Å; A559-L640 PolarHBondContact N-O 2.92Å; A559-L641 HydrophobicContact CB-CD1 4.04Å; A559-L641 WeakPolarHBondContact O-CA 3.46Å; A559-I642 PolarHBondContact O-N 3.41Å
560	A	92.8	Very high	89.5	Confident	36 Å²	36	54 Å²	54	30%	0.298	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141	177.5	0	0	0	0	0	110.8	Q529 I642	Q529-A560 HydrophobicContact CG-CB 4.01Å; Q529-A560 VanDerWaalsContact OE1-CB 3.31Å; A560-I642 CarbonylContact C-O 3.55Å; A560-I642 VanDerWaalsContact CA-O 3.28Å; A560-I642 WeakPolarHBondContact CA-O 3.47Å; A560-I642 HydrophobicContact CB-CB 3.99Å; A560-I642 HydrophobicContact CB-CD1 4.43Å
561	V	93	Very high	89.6	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.2	168.8	-171.4	0	0	0	0	106.9	A629 L630 A633 I642 L643 D644 A646	V561-A629 HydrophobicContact CG1-CB 3.87Å; V561-L630 HydrophobicContact CG2-CD1 4.2Å; V561-A633 HydrophobicContact CG2-CB 3.72Å; V561-I642 PolarHBondContact N-O 3.19Å; V561-L643 HydrophobicContact CB-CD2 3.92Å; V561-L643 HydrophobicContact CG2-CD2 3.78Å; V561-D644 PolarHBondContact O-N 2.9Å; V561-A646 HydrophobicContact CB-CB 3.77Å; V561-A646 HydrophobicContact CG1-CB 3.49Å; V561-A646 VanDerWaalsContact CG1-CB 3.49Å
562	G	89.1	Confident	89.9	Confident	35 Å²	35	47.3 Å²	47.3	36%	0.361	25%	0.254	S	S	.	.			trans	-78.5	167.8	178.6	0	0	0	0	0	112.7	E564 P565 D644	G562-E564 PolarHBondContact O-N 3.36Å; G562-P565 WeakPolarHBondContact O-CD 3.08Å; G562-D644 CarbonylContact C-O 3.43Å; G562-D644 VanDerWaalsContact C-O 3.32Å
563	Q	85.8	Confident	90.2	Very high	99 Å²	99	46.2 Å²	46.2	46%	0.463	25%	0.246	S	C	.	.	S	Bend	trans	-58.5	-47.7	-179.6	-177.4	175	9.3	0	0	112.4	P565 Q626 D644 D645	Q563-P565 WeakPolarHBondContact O-CD 3.14Å; Q563-Q626 PolarHBondContact O-NE2 3.39Å; Q563-Q626 VanDerWaalsContact O-NE2 3.1Å; Q563-D644 WeakPolarHBondContact CA-O 3.48Å; Q563-D644 PolarHBondContact N-O 3.37Å; Q563-D645 HydrophobicContact CB-CB 4.47Å; Q563-D645 HydrophobicContact CG-CB 4.15Å
564	E	83.4	Confident	90.3	Very high	161 Å²	161	49.5 Å²	49.5	75%	0.752	26%	0.262	S	S	*	.	S	Bend	trans	-115.4	85	174.7	-66.2	-172.7	166.6	0	0	109.9	G562 L566	G562-E564 PolarHBondContact O-N 3.36Å; E564-L566 PolarHBondContact O-N 3.45Å
565	P	84.8	Confident	90.4	Very high	15 Å²	15	49.5 Å²	49.5	10%	0.097	26%	0.262	C	S	.	.			trans	-72.5	130.9	-176.7	25.9	-29	0	0	0	111.1	G562 Q563 R625 Q626 A629	G562-P565 WeakPolarHBondContact O-CD 3.08Å; Q563-P565 WeakPolarHBondContact O-CD 3.14Å; P565-R625 HydrophobicContact CG-CB 4.32Å; P565-Q626 HydrophobicContact CG-CB 4.49Å; P565-Q626 HydrophobicContact CG-CG 3.95Å; P565-A629 HydrophobicContact CB-CB 3.36Å; P565-A629 HydrophobicContact CG-CB 3.73Å
566	L	85.6	Confident	90.6	Very high	121 Å²	121	47.6 Å²	47.6	63%	0.634	25%	0.253	S	S	*	.			trans	-85.7	135.6	174.5	-63	171.2	0	0	0	110.7	E564 R632	E564-L566 PolarHBondContact O-N 3.45Å; L566-R632 PolarHBondContact O-NH1 3.39Å
567	L	89.1	Confident	90.9	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.248	C	C	.	.			trans	-106.4	147.5	171.4	-56.4	-178	0	0	0	109.7	V613 T616 L620 R625 V628	L567-V613 HydrophobicContact CB-CG1 3.96Å; L567-V613 HydrophobicContact CD1-CG1 3.69Å; L567-T616 WeakPolarHBondContact O-CA 3.5Å; L567-L620 HydrophobicContact CD1-CD1 3.57Å; L567-R625 HydrophobicContact CD1-CB 4.34Å; L567-R625 HydrophobicContact CD1-CG 3.95Å; L567-R625 HydrophobicContact CG-CG 4.42Å; L567-V628 HydrophobicContact CD1-CB 4.25Å; L567-V628 HydrophobicContact CD1-CG1 4.3Å; L567-V628 HydrophobicContact CD1-CG2 4.47Å; L567-V628 HydrophobicContact CD2-CB 4.09Å; L567-V628 HydrophobicContact CD2-CG1 3.78Å
568	F	88.4	Confident	90.9	Very high	80 Å²	80	48.5 Å²	48.5	35%	0.351	26%	0.255	S	S	.	.			trans	-84.4	149.2	175.8	-63.2	-79.6	0	0	0	109.3	R570 N575 Y578	F568-R570 HydrophobicContact CB-CG 4.1Å; F568-R570 PolarHBondContact O-N 3.48Å; F568-N575 PolarHBondContact N-OD1 3.29Å; F568-N575 PolarHBondContact O-ND2 3.36Å; F568-N575 PolarHBondContact O-OD1 2.87Å; F568-Y578 HydrophobicContact CD2-CD1 4.47Å; F568-Y578 AromaticContact CD2-CD2 3.83Å; F568-Y578 HydrophobicContact CD2-CD2 3.83Å; F568-Y578 HydrophobicContact CD2-CE1 4.48Å; F568-Y578 AromaticContact CD2-CE2 3.85Å; F568-Y578 HydrophobicContact CD2-CE2 3.85Å; F568-Y578 HydrophobicContact CD2-CG 4.15Å; F568-Y578 HydrophobicContact CE1-CE2 4.45Å; F568-Y578 AromaticContact CE2-CD1 3.76Å; F568-Y578 HydrophobicContact CE2-CD1 3.76Å; F568-Y578 AromaticContact CE2-CD2 3.77Å; F568-Y578 HydrophobicContact CE2-CD2 3.77Å; F568-Y578 AromaticContact CE2-CE1 3.5Å; F568-Y578 HydrophobicContact CE2-CE1 3.5Å; F568-Y578 VanDerWaalsContact CE2-CE1 3.5Å; F568-Y578 AromaticContact CE2-CE2 3.51Å; F568-Y578 HydrophobicContact CE2-CE2 3.51Å; F568-Y578 AromaticContact CE2-CG 3.89Å; F568-Y578 HydrophobicContact CE2-CG 3.89Å; F568-Y578 AromaticContact CE2-CZ 3.36Å; F568-Y578 HydrophobicContact CG-CE2 4.46Å; F568-Y578 AromaticContact CZ-CE1 3.83Å; F568-Y578 HydrophobicContact CZ-CE1 3.83Å; F568-Y578 AromaticContact CZ-CE2 3.85Å; F568-Y578 HydrophobicContact CZ-CE2 3.85Å; F568-Y578 AromaticContact CZ-CZ 3.43Å; F568-Y578 VanDerWaalsContact CZ-CZ 3.43Å; F568-Y578 WeakPolarHBondContact CZ-OH 3.14Å
569	G	89.4	Confident	90.6	Very high	53 Å²	53	50.9 Å²	50.9	55%	0.546	28%	0.28	S	S	.	.	S	Bend	trans	-68.2	73.7	171.7	0	0	0	0	0	111.1	G614	G569-G614 WeakPolarHBondContact CA-O 3.36Å
570	R	91.2	Very high	90.4	Very high	108 Å²	108	52.8 Å²	52.8	41%	0.408	29%	0.289	S	S	.	.	S	Bend	trans	-147.8	171.6	-174.5	-66.6	-174.1	-173.7	-172.3	-0.5	108.6	F568 E574 N575 V613	F568-R570 HydrophobicContact CB-CG 4.1Å; F568-R570 PolarHBondContact O-N 3.48Å; R570-E574 HydrophobicContact CB-CB 3.92Å; R570-E574 WeakPolarHBondContact CB-OE2 3.15Å; R570-E574 WeakPolarHBondContact CD-OE2 3.14Å; R570-E574 WeakPolarHBondContact CG-OE2 3.48Å; R570-N575 PolarHBondContact O-ND2 2.89Å; R570-N575 VanDerWaalsContact O-ND2 3.12Å; R570-V613 WeakPolarHBondContact O-CG2 3.09Å; R570-V613 PolarHBondContact O-N 2.66Å
571	S	92.9	Very high	90	Very high	10 Å²	10	57 Å²	57	7%	0.07	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-62.2	160.4	173.1	66.2	0	0	0	0	112.5	R573 E574 N575 T611	S571-R573 VanDerWaalsContact C-N 3.27Å; S571-R573 PolarHBondContact O-N 3.11Å; S571-E574 PolarHBondContact O-N 3.45Å; S571-E574 WeakPolarHBondContact OG-CB 3.49Å; S571-E574 WeakPolarHBondContact OG-CG 3.37Å; S571-E574 PolarHBondContact OG-N 2.85Å; S571-N575 WeakPolarHBondContact O-CB 3.45Å; S571-N575 PolarHBondContact O-N 2.78Å; S571-N575 PolarHBondContact O-ND2 3.34Å; S571-T611 VanDerWaalsContact CA-O 3.27Å; S571-T611 WeakPolarHBondContact CA-O 3.48Å
572	F	94.1	Very high	89.8	Confident	1 Å²	1	62.4 Å²	62.4	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-42.3	172	-73.8	-70.5	0	0	0	111.8	E574 N575 I576 F601 I602 F605 Y609 T611 V613 L620 V628	F572-E574 VanDerWaalsContact C-N 3.35Å; F572-E574 PolarHBondContact O-N 3.26Å; F572-N575 PolarHBondContact O-N 3.06Å; F572-I576 WeakPolarHBondContact O-CG1 3.45Å; F572-I576 PolarHBondContact O-N 3.28Å; F572-F601 AromaticContact CE1-CE2 3.84Å; F572-F601 HydrophobicContact CE1-CE2 3.84Å; F572-F601 HydrophobicContact CE1-CZ 4.45Å; F572-F601 AromaticContact CZ-CE2 3.96Å; F572-F601 HydrophobicContact CZ-CE2 3.96Å; F572-I602 HydrophobicContact CB-CD1 4.22Å; F572-I602 HydrophobicContact CB-CG2 4.32Å; F572-I602 HydrophobicContact CD1-CD1 4.01Å; F572-I602 HydrophobicContact CD1-CG1 3.93Å; F572-I602 HydrophobicContact CD2-CG1 4.22Å; F572-I602 HydrophobicContact CD2-CG2 4.04Å; F572-I602 HydrophobicContact CE1-CG1 4.1Å; F572-I602 HydrophobicContact CE2-CG1 4.39Å; F572-I602 HydrophobicContact CG-CD1 4.13Å; F572-I602 HydrophobicContact CG-CG1 3.98Å; F572-I602 HydrophobicContact CG-CG2 4.23Å; F572-I602 HydrophobicContact CZ-CG1 4.33Å; F572-F605 AromaticContact CE2-CD2 3.86Å; F572-F605 HydrophobicContact CE2-CD2 3.86Å; F572-F605 HydrophobicContact CE2-CE2 4.01Å; F572-F605 HydrophobicContact CE2-CG 4.31Å; F572-F605 HydrophobicContact CZ-CD2 4.18Å; F572-F605 AromaticContact CZ-CE2 3.86Å; F572-F605 HydrophobicContact CZ-CE2 3.86Å; F572-F605 HydrophobicContact CZ-CZ 4.36Å; F572-Y609 HydrophobicContact CB-CD1 4.48Å; F572-Y609 PolarHBondContact N-O 3.15Å; F572-T611 WeakPolarHBondContact CD2-O 3.49Å; F572-T611 HydrophobicContact CE2-CG2 4.1Å; F572-T611 PolarHBondContact N-O 3.48Å; F572-T611 VanDerWaalsContact N-O 3.14Å; F572-V613 HydrophobicContact CD1-CG2 3.61Å; F572-V613 HydrophobicContact CD2-CG2 4.32Å; F572-V613 HydrophobicContact CE1-CG2 3.62Å; F572-V613 HydrophobicContact CE2-CG2 4.32Å; F572-V613 HydrophobicContact CG-CG2 3.98Å; F572-V613 HydrophobicContact CZ-CG2 3.99Å; F572-L620 HydrophobicContact CE1-CD1 3.7Å; F572-L620 HydrophobicContact CE1-CD2 4.3Å; F572-L620 HydrophobicContact CZ-CD1 4.11Å; F572-L620 HydrophobicContact CZ-CD2 3.92Å; F572-V628 HydrophobicContact CD1-CG2 3.93Å; F572-V628 HydrophobicContact CE1-CG2 3.98Å
573	R	94.4	Very high	89.8	Confident	81 Å²	81	67.1 Å²	67.1	31%	0.306	35%	0.354	S	S	.	.	H	α-helix	trans	-52.6	-51.8	175.4	-175.5	-164.7	-63.5	-92.1	-1.2	111.5	S571 I576 A577 M586 I589 Y609 D610	S571-R573 VanDerWaalsContact C-N 3.27Å; S571-R573 PolarHBondContact O-N 3.11Å; R573-I576 PolarHBondContact O-N 2.94Å; R573-A577 WeakPolarHBondContact O-CB 3.19Å; R573-A577 PolarHBondContact O-N 2.89Å; R573-M586 VanDerWaalsContact CZ-SD 3.57Å; R573-M586 PolarHBondContact NH1-SD 3.43Å; R573-I589 HydrophobicContact CG-CD1 3.56Å; R573-Y609 PolarHBondContact N-O 2.95Å; R573-D610 IonicContact CZ-OD1 3.24Å; R573-D610 IonicContact NE-OD1 3Å; R573-D610 PolarHBondContact NE-OD1 3.14Å; R573-D610 IonicContact NH2-OD1 2.76Å; R573-D610 PolarHBondContact NH2-OD1 3.05Å; R573-D610 IonicContact NH2-OD2 3.37Å; R573-D610 PolarHBondContact NH2-OD2 3.12Å
574	E	93.6	Very high	90.1	Very high	98 Å²	98	63.4 Å²	63.4	46%	0.458	34%	0.338	S	S	.	.	H	α-helix	trans	-69.7	-33.1	-179.2	-73.8	176.7	-163	0	0	112.9	R570 S571 F572 Y578	R570-E574 HydrophobicContact CB-CB 3.92Å; R570-E574 WeakPolarHBondContact CB-OE2 3.15Å; R570-E574 WeakPolarHBondContact CD-OE2 3.14Å; R570-E574 WeakPolarHBondContact CG-OE2 3.48Å; S571-E574 PolarHBondContact O-N 3.45Å; S571-E574 WeakPolarHBondContact OG-CB 3.49Å; S571-E574 WeakPolarHBondContact OG-CG 3.37Å; S571-E574 PolarHBondContact OG-N 2.85Å; F572-E574 VanDerWaalsContact C-N 3.35Å; F572-E574 PolarHBondContact O-N 3.26Å; E574-Y578 PolarHBondContact O-N 3.31Å; E574-Y578 VanDerWaalsContact O-N 3.15Å
575	N	93.8	Very high	90.6	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-41.1	174.5	-91.2	-76.7	0	0	0	112	F568 R570 S571 F572 Y578 V628 R632	F568-N575 PolarHBondContact N-OD1 3.29Å; F568-N575 PolarHBondContact O-ND2 3.36Å; F568-N575 PolarHBondContact O-OD1 2.87Å; R570-N575 PolarHBondContact O-ND2 2.89Å; R570-N575 VanDerWaalsContact O-ND2 3.12Å; S571-N575 WeakPolarHBondContact O-CB 3.45Å; S571-N575 PolarHBondContact O-N 2.78Å; S571-N575 PolarHBondContact O-ND2 3.34Å; F572-N575 PolarHBondContact O-N 3.06Å; N575-Y578 WeakPolarHBondContact O-CB 3.14Å; N575-V628 HydrophobicContact CB-CG1 4.17Å; N575-R632 PolarHBondContact O-NE 3.09Å; N575-R632 PolarHBondContact O-NH2 2.98Å; N575-R632 PolarHBondContact OD1-NH2 3.34Å
576	I	94.9	Very high	91	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-44	176.8	-65.9	168.4	0	0	0	109.9	F572 R573 Y578 I589 V592 A593 I602 Y609 V628 A631 I635	F572-I576 WeakPolarHBondContact O-CG1 3.45Å; F572-I576 PolarHBondContact O-N 3.28Å; R573-I576 PolarHBondContact O-N 2.94Å; I576-Y578 PolarHBondContact O-N 3.2Å; I576-I589 HydrophobicContact CB-CG2 4.41Å; I576-I589 HydrophobicContact CD1-CG2 3.91Å; I576-I589 HydrophobicContact CG2-CG2 4.23Å; I576-V592 HydrophobicContact CG2-CG2 3.92Å; I576-A593 HydrophobicContact CD1-CB 4.37Å; I576-I602 HydrophobicContact CD1-CD1 4.27Å; I576-Y609 HydrophobicContact CD1-CD1 4.39Å; I576-Y609 HydrophobicContact CD1-CE1 4.11Å; I576-V628 HydrophobicContact CG1-CG1 4.18Å; I576-A631 HydrophobicContact CD1-CB 4.22Å; I576-A631 HydrophobicContact CG1-CB 4.03Å; I576-A631 HydrophobicContact CG2-CB 4.18Å; I576-I635 HydrophobicContact CG2-CD1 3.89Å; I576-I635 WeakPolarHBondContact O-CG2 3.48Å
577	A	94.1	Very high	91.4	Very high	22 Å²	22	62.9 Å²	62.9	18%	0.182	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	5.3	-179.3	0	0	0	0	0	114.8	R573 G579 L580 P584	R573-A577 WeakPolarHBondContact O-CB 3.19Å; R573-A577 PolarHBondContact O-N 2.89Å; A577-G579 PolarHBondContact O-N 3.5Å; A577-L580 HydrophobicContact CB-CD1 4.41Å; A577-L580 PolarHBondContact O-N 3.4Å; A577-P584 HydrophobicContact CB-CG 3.58Å
578	Y	93.1	Very high	91.6	Very high	82 Å²	82	65.3 Å²	65.3	32%	0.322	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	126.4	-171.2	-176.8	-97.5	0	0	0	113	F568 E574 N575 I576 R636	F568-Y578 HydrophobicContact CD2-CD1 4.47Å; F568-Y578 AromaticContact CD2-CD2 3.83Å; F568-Y578 HydrophobicContact CD2-CD2 3.83Å; F568-Y578 HydrophobicContact CD2-CE1 4.48Å; F568-Y578 AromaticContact CD2-CE2 3.85Å; F568-Y578 HydrophobicContact CD2-CE2 3.85Å; F568-Y578 HydrophobicContact CD2-CG 4.15Å; F568-Y578 HydrophobicContact CE1-CE2 4.45Å; F568-Y578 AromaticContact CE2-CD1 3.76Å; F568-Y578 HydrophobicContact CE2-CD1 3.76Å; F568-Y578 AromaticContact CE2-CD2 3.77Å; F568-Y578 HydrophobicContact CE2-CD2 3.77Å; F568-Y578 AromaticContact CE2-CE1 3.5Å; F568-Y578 HydrophobicContact CE2-CE1 3.5Å; F568-Y578 VanDerWaalsContact CE2-CE1 3.5Å; F568-Y578 AromaticContact CE2-CE2 3.51Å; F568-Y578 HydrophobicContact CE2-CE2 3.51Å; F568-Y578 AromaticContact CE2-CG 3.89Å; F568-Y578 HydrophobicContact CE2-CG 3.89Å; F568-Y578 AromaticContact CE2-CZ 3.36Å; F568-Y578 HydrophobicContact CG-CE2 4.46Å; F568-Y578 AromaticContact CZ-CE1 3.83Å; F568-Y578 HydrophobicContact CZ-CE1 3.83Å; F568-Y578 AromaticContact CZ-CE2 3.85Å; F568-Y578 HydrophobicContact CZ-CE2 3.85Å; F568-Y578 AromaticContact CZ-CZ 3.43Å; F568-Y578 VanDerWaalsContact CZ-CZ 3.43Å; F568-Y578 WeakPolarHBondContact CZ-OH 3.14Å; E574-Y578 PolarHBondContact O-N 3.31Å; E574-Y578 VanDerWaalsContact O-N 3.15Å; N575-Y578 WeakPolarHBondContact O-CB 3.14Å; I576-Y578 PolarHBondContact O-N 3.2Å; Y578-R636 PolarHBondContact O-NH2 3.46Å
579	G	86.3	Confident	91.9	Very high	53 Å²	53	61.6 Å²	61.6	55%	0.546	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	9	176.9	0	0	0	0	0	115	A577	A577-G579 PolarHBondContact O-N 3.5Å
580	L	88.6	Confident	92.1	Very high	44 Å²	44	60.5 Å²	60.5	23%	0.23	31%	0.314	C	S	.	.			trans	-81.4	134	170	-67.9	171.5	0	0	0	110.6	A577 R582 P584 I635 R636	A577-L580 HydrophobicContact CB-CD1 4.41Å; A577-L580 PolarHBondContact O-N 3.4Å; L580-R582 VanDerWaalsContact C-N 3.28Å; L580-R582 WeakPolarHBondContact CB-O 3.39Å; L580-P584 HydrophobicContact CD1-CB 4.28Å; L580-P584 HydrophobicContact CD1-CG 3.87Å; L580-I635 HydrophobicContact CD1-CD1 3.97Å; L580-I635 HydrophobicContact CD1-CG1 4.03Å; L580-I635 HydrophobicContact CD1-CG2 3.99Å; L580-R636 HydrophobicContact CD2-CG 3.99Å
581	T	83.8	Confident	92.2	Very high	124 Å²	124	57.6 Å²	57.6	76%	0.761	31%	0.313	S	S	*	.	S	Bend	trans	-71.7	-26.3	174.6	-20.3	0	0	0	0	112.1
582	R	88.4	Confident	92.1	Very high	117 Å²	117	57.7 Å²	57.7	44%	0.442	31%	0.314	S	S	.	.	S	Bend	trans	-100.8	149	175.1	71.7	-177.3	-174.1	88.6	-3.8	110.5	L580 P584 E588	L580-R582 VanDerWaalsContact C-N 3.28Å; L580-R582 WeakPolarHBondContact CB-O 3.39Å; R582-P584 VanDerWaalsContact O-CD 3.31Å; R582-P584 WeakPolarHBondContact O-CD 3.12Å; R582-E588 IonicContact CZ-OE1 3.43Å; R582-E588 IonicContact CZ-OE2 3.4Å; R582-E588 IonicContact NH1-OE1 3.22Å; R582-E588 PolarHBondContact NH1-OE1 2.94Å; R582-E588 IonicContact NH1-OE2 2.71Å; R582-E588 PolarHBondContact NH1-OE2 3.44Å; R582-E588 VanDerWaalsContact NH2-CD 3.32Å; R582-E588 IonicContact NH2-OE1 3.62Å; R582-E588 PolarHBondContact NH2-OE1 3.29Å; R582-E588 IonicContact NH2-OE2 2.75Å; R582-E588 PolarHBondContact NH2-OE2 3.15Å; R582-E588 VanDerWaalsContact NH2-OE2 3.17Å
583	T	89.7	Confident	92	Very high	135 Å²	135	57.7 Å²	57.7	83%	0.828	31%	0.314	S	S	*	.			trans	-78	115.1	168.2	49.6	0	0	0	0	109.5
584	P	91.8	Very high	91.8	Very high	21 Å²	21	58.2 Å²	58.2	14%	0.136	32%	0.321	C	S	.	.			trans	-71.1	151.7	178.2	28.7	-33.2	0	0	0	111.8	A577 L580 R582 E588 I589 I635	A577-P584 HydrophobicContact CB-CG 3.58Å; L580-P584 HydrophobicContact CD1-CB 4.28Å; L580-P584 HydrophobicContact CD1-CG 3.87Å; R582-P584 VanDerWaalsContact O-CD 3.31Å; R582-P584 WeakPolarHBondContact O-CD 3.12Å; P584-E588 VanDerWaalsContact CA-OE2 3.3Å; P584-E588 WeakPolarHBondContact CA-OE2 3.31Å; P584-E588 HydrophobicContact CB-CB 4.45Å; P584-E588 WeakPolarHBondContact CB-OE2 3.44Å; P584-I589 HydrophobicContact CB-CG1 4.19Å; P584-I589 HydrophobicContact CG-CD1 4.02Å; P584-I589 HydrophobicContact CG-CG1 3.97Å; P584-I635 HydrophobicContact CB-CD1 3.8Å; P584-I635 HydrophobicContact CG-CD1 3.85Å
585	T	94.6	Very high	91.5	Very high	69 Å²	69	56.5 Å²	56.5	42%	0.423	31%	0.313	S	S	.	.			trans	-73.7	157.1	174.9	64.2	0	0	0	0	110.2	E587 E588 I589	T585-E587 PolarHBondContact O-N 3.26Å; T585-E588 PolarHBondContact N-OE2 3.33Å; T585-E588 VanDerWaalsContact N-OE2 3.1Å; T585-E588 PolarHBondContact O-N 3.5Å; T585-E588 VanDerWaalsContact O-N 3.16Å; T585-E588 WeakPolarHBondContact OG1-CG 3.49Å; T585-E588 PolarHBondContact OG1-N 2.64Å; T585-I589 WeakPolarHBondContact O-CG1 3.46Å; T585-I589 PolarHBondContact O-N 3.23Å; T585-I589 VanDerWaalsContact O-N 3.11Å
586	M	93.3	Very high	91.2	Very high	59 Å²	59	56.5 Å²	56.5	29%	0.291	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-31.1	178	-168.5	61	-133.7	0	0	111.9	R573 I589 T590 Y609	R573-M586 VanDerWaalsContact CZ-SD 3.57Å; R573-M586 PolarHBondContact NH1-SD 3.43Å; M586-I589 HydrophobicContact CE-CB 4.04Å; M586-I589 HydrophobicContact CE-CG2 3.84Å; M586-I589 PolarHBondContact O-N 3.2Å; M586-I589 HydrophobicContact SD-CB 4.43Å; M586-I589 HydrophobicContact SD-CD1 4.45Å; M586-T590 VanDerWaalsContact CE-OG1 3.27Å; M586-T590 WeakPolarHBondContact CE-OG1 3.45Å; M586-T590 WeakPolarHBondContact O-CB 3.43Å; M586-T590 PolarHBondContact O-N 2.97Å; M586-T590 PolarHBondContact O-OG1 3.4Å; M586-Y609 HydrophobicContact CE-CD1 3.65Å; M586-Y609 HydrophobicContact CE-CD2 3.34Å; M586-Y609 HydrophobicContact CE-CE1 3.86Å; M586-Y609 HydrophobicContact CE-CE2 3.58Å; M586-Y609 HydrophobicContact CE-CG 3.37Å
587	E	94.2	Very high	90.8	Very high	157 Å²	157	56.5 Å²	56.5	73%	0.734	31%	0.313	S	S	*	.	H	α-helix	trans	-61.9	-45.1	174.8	-66.7	148.9	-177.2	0	0	111.3	T585 T590 A591	T585-E587 PolarHBondContact O-N 3.26Å; E587-T590 PolarHBondContact O-N 3Å; E587-A591 WeakPolarHBondContact O-CB 3.4Å; E587-A591 PolarHBondContact O-N 2.92Å
588	E	93.1	Very high	90.7	Very high	57 Å²	57	55.4 Å²	55.4	27%	0.266	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.6	-71.5	177.8	139.8	0	0	111.6	R582 P584 T585 T590 A591 V592	R582-E588 IonicContact CZ-OE1 3.43Å; R582-E588 IonicContact CZ-OE2 3.4Å; R582-E588 IonicContact NH1-OE1 3.22Å; R582-E588 PolarHBondContact NH1-OE1 2.94Å; R582-E588 IonicContact NH1-OE2 2.71Å; R582-E588 PolarHBondContact NH1-OE2 3.44Å; R582-E588 VanDerWaalsContact NH2-CD 3.32Å; R582-E588 IonicContact NH2-OE1 3.62Å; R582-E588 PolarHBondContact NH2-OE1 3.29Å; R582-E588 IonicContact NH2-OE2 2.75Å; R582-E588 PolarHBondContact NH2-OE2 3.15Å; R582-E588 VanDerWaalsContact NH2-OE2 3.17Å; P584-E588 VanDerWaalsContact CA-OE2 3.3Å; P584-E588 WeakPolarHBondContact CA-OE2 3.31Å; P584-E588 HydrophobicContact CB-CB 4.45Å; P584-E588 WeakPolarHBondContact CB-OE2 3.44Å; T585-E588 PolarHBondContact N-OE2 3.33Å; T585-E588 VanDerWaalsContact N-OE2 3.1Å; T585-E588 PolarHBondContact O-N 3.5Å; T585-E588 VanDerWaalsContact O-N 3.16Å; T585-E588 WeakPolarHBondContact OG1-CG 3.49Å; T585-E588 PolarHBondContact OG1-N 2.64Å; E588-T590 VanDerWaalsContact C-N 3.32Å; E588-T590 PolarHBondContact O-N 3.47Å; E588-A591 PolarHBondContact O-N 3.43Å; E588-V592 WeakPolarHBondContact O-CG2 3.33Å; E588-V592 PolarHBondContact O-N 3.48Å; E588-V592 VanDerWaalsContact O-N 3.11Å
589	I	94.7	Very high	90.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-41.9	178.2	-63.6	175.4	0	0	0	110.7	R573 I576 P584 T585 M586 V592 A593 Y609 I635	R573-I589 HydrophobicContact CG-CD1 3.56Å; I576-I589 HydrophobicContact CB-CG2 4.41Å; I576-I589 HydrophobicContact CD1-CG2 3.91Å; I576-I589 HydrophobicContact CG2-CG2 4.23Å; P584-I589 HydrophobicContact CB-CG1 4.19Å; P584-I589 HydrophobicContact CG-CD1 4.02Å; P584-I589 HydrophobicContact CG-CG1 3.97Å; T585-I589 WeakPolarHBondContact O-CG1 3.46Å; T585-I589 PolarHBondContact O-N 3.23Å; T585-I589 VanDerWaalsContact O-N 3.11Å; M586-I589 HydrophobicContact CE-CB 4.04Å; M586-I589 HydrophobicContact CE-CG2 3.84Å; M586-I589 PolarHBondContact O-N 3.2Å; M586-I589 HydrophobicContact SD-CB 4.43Å; M586-I589 HydrophobicContact SD-CD1 4.45Å; I589-V592 VanDerWaalsContact O-CG2 3.29Å; I589-V592 WeakPolarHBondContact O-CG2 3.47Å; I589-A593 WeakPolarHBondContact O-CB 3.25Å; I589-A593 PolarHBondContact O-N 2.65Å; I589-Y609 HydrophobicContact CG2-CD1 3.85Å; I589-Y609 HydrophobicContact CG2-CE1 3.77Å; I589-I635 HydrophobicContact CG1-CD1 4.04Å
590	T	94.5	Very high	90.8	Very high	30 Å²	30	54.9 Å²	54.9	18%	0.184	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-43.1	-179.9	-50.9	0	0	0	0	110.5	M586 E587 E588 A593 M594	M586-T590 VanDerWaalsContact CE-OG1 3.27Å; M586-T590 WeakPolarHBondContact CE-OG1 3.45Å; M586-T590 WeakPolarHBondContact O-CB 3.43Å; M586-T590 PolarHBondContact O-N 2.97Å; M586-T590 PolarHBondContact O-OG1 3.4Å; E587-T590 PolarHBondContact O-N 3Å; E588-T590 VanDerWaalsContact C-N 3.32Å; E588-T590 PolarHBondContact O-N 3.47Å; T590-A593 PolarHBondContact O-N 3.1Å; T590-M594 HydrophobicContact CG2-CE 3.77Å; T590-M594 HydrophobicContact CG2-SD 4.4Å; T590-M594 WeakPolarHBondContact O-CG 3.24Å; T590-M594 PolarHBondContact O-N 3.17Å
591	A	91.8	Very high	90.9	Very high	47 Å²	47	54.5 Å²	54.5	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-51.4	178.2	0	0	0	0	0	111.6	E587 E588 A593 M594 E595	E587-A591 WeakPolarHBondContact O-CB 3.4Å; E587-A591 PolarHBondContact O-N 2.92Å; E588-A591 PolarHBondContact O-N 3.43Å; A591-A593 VanDerWaalsContact C-N 3.29Å; A591-A593 PolarHBondContact O-N 3.28Å; A591-M594 PolarHBondContact O-N 3.31Å; A591-E595 WeakPolarHBondContact O-CG 3.46Å; A591-E595 PolarHBondContact O-N 2.83Å
592	V	91.7	Very high	91.3	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-28.9	179.4	-60.2	0	0	0	0	113.1	I576 E588 I589 S596 A631 L634 I635	I576-V592 HydrophobicContact CG2-CG2 3.92Å; E588-V592 WeakPolarHBondContact O-CG2 3.33Å; E588-V592 PolarHBondContact O-N 3.48Å; E588-V592 VanDerWaalsContact O-N 3.11Å; I589-V592 VanDerWaalsContact O-CG2 3.29Å; I589-V592 WeakPolarHBondContact O-CG2 3.47Å; V592-S596 WeakPolarHBondContact O-CB 3.44Å; V592-S596 PolarHBondContact O-N 2.75Å; V592-S596 PolarHBondContact O-OG 3.08Å; V592-A631 HydrophobicContact CG2-CB 4.23Å; V592-L634 HydrophobicContact CB-CB 4.38Å; V592-L634 HydrophobicContact CG1-CB 4.37Å; V592-I635 HydrophobicContact CG1-CB 4.21Å; V592-I635 HydrophobicContact CG1-CG1 4.48Å; V592-I635 HydrophobicContact CG2-CB 4.14Å; V592-I635 HydrophobicContact CG2-CD1 4.32Å; V592-I635 HydrophobicContact CG2-CG1 4.39Å
593	A	92.8	Very high	91.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-72.6	-33.9	174.1	0	0	0	0	0	112	I576 I589 T590 A591 S596 G597 A598 H599 Y609	I576-A593 HydrophobicContact CD1-CB 4.37Å; I589-A593 WeakPolarHBondContact O-CB 3.25Å; I589-A593 PolarHBondContact O-N 2.65Å; T590-A593 PolarHBondContact O-N 3.1Å; A591-A593 VanDerWaalsContact C-N 3.29Å; A591-A593 PolarHBondContact O-N 3.28Å; A593-S596 PolarHBondContact O-OG 2.99Å; A593-G597 CarbonylContact O-C 3.46Å; A593-G597 PolarHBondContact O-N 3.4Å; A593-A598 HydrophobicContact CB-CB 4.31Å; A593-A598 PolarHBondContact O-N 3.41Å; A593-H599 HydrophobicContact CB-CB 4.19Å; A593-H599 PolarHBondContact O-N 3.21Å; A593-Y609 HydrophobicContact CB-CE1 3.97Å; A593-Y609 WeakPolarHBondContact CB-OH 3.35Å
594	M	90.1	Very high	91.5	Very high	93 Å²	93	42.5 Å²	42.5	46%	0.458	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-43.6	172.4	-74.4	178.9	175.9	0	0	110.6	T590 A591 G597 H599	T590-M594 HydrophobicContact CG2-CE 3.77Å; T590-M594 HydrophobicContact CG2-SD 4.4Å; T590-M594 WeakPolarHBondContact O-CG 3.24Å; T590-M594 PolarHBondContact O-N 3.17Å; A591-M594 PolarHBondContact O-N 3.31Å; M594-G597 PolarHBondContact O-N 3.3Å; M594-H599 HydrophobicContact CB-CB 4.37Å; M594-H599 HydrophobicContact CG-CB 3.68Å
595	E	86.4	Confident	91.5	Very high	61 Å²	61	44.3 Å²	44.3	29%	0.285	25%	0.25	S	C	.	.	H	α-helix	trans	-58.5	-51.3	174.6	-70.9	177.8	-164.2	0	0	111.1	A591 G597 L634 L661	A591-E595 WeakPolarHBondContact O-CG 3.46Å; A591-E595 PolarHBondContact O-N 2.83Å; E595-G597 PolarHBondContact O-N 3.49Å; E595-G597 VanDerWaalsContact O-N 3.13Å; E595-L634 HydrophobicContact CB-CD1 4.22Å; E595-L661 VanDerWaalsContact C-CD1 3.44Å; E595-L661 HydrophobicContact CB-CD1 3.76Å; E595-L661 HydrophobicContact CB-CD2 4.01Å; E595-L661 HydrophobicContact CG-CD2 3.96Å; E595-L661 WeakPolarHBondContact O-CD1 3.3Å
596	S	87.4	Confident	91	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.8	-177.9	79.4	0	0	0	0	115.1	V592 A593 A598 A627 A631	V592-S596 WeakPolarHBondContact O-CB 3.44Å; V592-S596 PolarHBondContact O-N 2.75Å; V592-S596 PolarHBondContact O-OG 3.08Å; A593-S596 PolarHBondContact O-OG 2.99Å; S596-A598 VanDerWaalsContact C-N 3.26Å; S596-A598 PolarHBondContact O-N 2.95Å; S596-A598 VanDerWaalsContact OG-CB 3.3Å; S596-A598 WeakPolarHBondContact OG-CB 3.48Å; S596-A598 PolarHBondContact OG-N 3.25Å; S596-A627 VanDerWaalsContact CB-O 3.22Å; S596-A627 WeakPolarHBondContact CB-O 3.26Å; S596-A627 PolarHBondContact OG-O 3.13Å; S596-A631 WeakPolarHBondContact OG-CB 3.22Å
597	G	86.9	Confident	90.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	8.9	-172.9	0	0	0	0	0	114.2	A593 M594 E595 N654	A593-G597 CarbonylContact O-C 3.46Å; A593-G597 PolarHBondContact O-N 3.4Å; M594-G597 PolarHBondContact O-N 3.3Å; E595-G597 PolarHBondContact O-N 3.49Å; E595-G597 VanDerWaalsContact O-N 3.13Å; G597-N654 WeakPolarHBondContact CA-OD1 3.47Å
598	A	90.8	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.			trans	-80	-26.2	179.7	0	0	0	0	0	114.3	A593 S596 D600 F601 I602 A627	A593-A598 HydrophobicContact CB-CB 4.31Å; A593-A598 PolarHBondContact O-N 3.41Å; S596-A598 VanDerWaalsContact C-N 3.26Å; S596-A598 PolarHBondContact O-N 2.95Å; S596-A598 VanDerWaalsContact OG-CB 3.3Å; S596-A598 WeakPolarHBondContact OG-CB 3.48Å; S596-A598 PolarHBondContact OG-N 3.25Å; A598-D600 VanDerWaalsContact C-N 3.33Å; A598-D600 PolarHBondContact O-N 2.79Å; A598-F601 VanDerWaalsContact CA-CE1 3.42Å; A598-F601 HydrophobicContact CB-CE1 3.8Å; A598-F601 HydrophobicContact CB-CZ 4.15Å; A598-F601 WeakPolarHBondContact O-CD1 3.32Å; A598-I602 HydrophobicContact CB-CD1 3.76Å; A598-I602 WeakPolarHBondContact O-CB 3.21Å; A598-I602 WeakPolarHBondContact O-CD1 3.3Å; A598-I602 WeakPolarHBondContact O-CG1 3.09Å; A598-I602 PolarHBondContact O-N 2.87Å; A598-I602 VanDerWaalsContact O-N 3.07Å; A598-A627 HydrophobicContact CB-CB 4.03Å
599	H	93.1	Very high	90.9	Very high	39 Å²	39	42.3 Å²	42.3	18%	0.181	25%	0.25	C	S	.	.	H	α-helix	trans	-57.4	-43.7	-175.3	179.8	72.7	0	0	0	113	A593 M594 F601 I602 S603 Y609	A593-H599 HydrophobicContact CB-CB 4.19Å; A593-H599 PolarHBondContact O-N 3.21Å; M594-H599 HydrophobicContact CB-CB 4.37Å; M594-H599 HydrophobicContact CG-CB 3.68Å; H599-F601 VanDerWaalsContact C-N 3.34Å; H599-F601 PolarHBondContact O-N 3.37Å; H599-I602 PolarHBondContact O-N 3.26Å; H599-S603 PolarHBondContact CE1-OG 3.45Å; H599-S603 PolarHBondContact ND1-OG 2.85Å; H599-S603 PolarHBondContact NE2-OG 2.8Å; H599-S603 VanDerWaalsContact O-CB 3.31Å; H599-S603 WeakPolarHBondContact O-CB 3.44Å; H599-S603 PolarHBondContact O-N 3.42Å; H599-S603 PolarHBondContact O-OG 3.5Å; H599-Y609 AromaticContact ND1-CE2 3.98Å; H599-Y609 AromaticContact ND1-CZ 3.88Å; H599-Y609 PolarHBondContact ND1-OH 3.45Å
600	D	89.4	Confident	90.9	Very high	85 Å²	85	46.2 Å²	46.2	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-40.7	-170.7	-62.2	-15.7	0	0	0	111.8	A598 R657	A598-D600 VanDerWaalsContact C-N 3.33Å; A598-D600 PolarHBondContact O-N 2.79Å; D600-R657 IonicContact OD1-NH1 2.81Å; D600-R657 IonicContact OD2-CZ 2.96Å; D600-R657 VanDerWaalsContact OD2-CZ 3.24Å; D600-R657 IonicContact OD2-NH1 3.17Å; D600-R657 PolarHBondContact OD2-NH1 2.64Å; D600-R657 IonicContact OD2-NH2 3.87Å; D600-R657 PolarHBondContact OD2-NH2 3.11Å
601	F	89.8	Confident	90.8	Very high	35 Å²	35	45.5 Å²	45.5	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-84.4	-34.5	177.7	79.3	-102.5	0	0	0	112.6	F572 A598 H599 S603 G604 F605 L620 Q624 A627 V628	F572-F601 AromaticContact CE1-CE2 3.84Å; F572-F601 HydrophobicContact CE1-CE2 3.84Å; F572-F601 HydrophobicContact CE1-CZ 4.45Å; F572-F601 AromaticContact CZ-CE2 3.96Å; F572-F601 HydrophobicContact CZ-CE2 3.96Å; A598-F601 VanDerWaalsContact CA-CE1 3.42Å; A598-F601 HydrophobicContact CB-CE1 3.8Å; A598-F601 HydrophobicContact CB-CZ 4.15Å; A598-F601 WeakPolarHBondContact O-CD1 3.32Å; H599-F601 VanDerWaalsContact C-N 3.34Å; H599-F601 PolarHBondContact O-N 3.37Å; F601-S603 VanDerWaalsContact C-N 3.32Å; F601-S603 PolarHBondContact O-N 3.47Å; F601-G604 PolarHBondContact O-N 3.3Å; F601-G604 VanDerWaalsContact O-N 3.09Å; F601-F605 AromaticContact CD2-CE2 3.98Å; F601-F605 HydrophobicContact CD2-CE2 3.98Å; F601-F605 HydrophobicContact CE2-CE2 4.47Å; F601-F605 VanDerWaalsContact O-CD2 3.29Å; F601-F605 WeakPolarHBondContact O-CD2 3.43Å; F601-L620 HydrophobicContact CE2-CD2 4.48Å; F601-Q624 HydrophobicContact CD1-CG 3.95Å; F601-Q624 HydrophobicContact CD2-CG 4.05Å; F601-Q624 HydrophobicContact CE1-CB 4.05Å; F601-Q624 HydrophobicContact CE1-CG 3.9Å; F601-Q624 HydrophobicContact CE2-CB 4.1Å; F601-Q624 HydrophobicContact CE2-CG 4.06Å; F601-Q624 HydrophobicContact CG-CG 4.01Å; F601-Q624 HydrophobicContact CZ-CB 3.81Å; F601-Q624 HydrophobicContact CZ-CG 3.98Å; F601-A627 HydrophobicContact CE1-CB 4.07Å; F601-V628 HydrophobicContact CE2-CG2 4.5Å; F601-V628 HydrophobicContact CZ-CG2 3.76Å
602	I	93.4	Very high	90.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-44.7	177.9	-69.4	169.3	0	0	0	109.7	F572 I576 A598 H599 G604 F605 G608 Y609	F572-I602 HydrophobicContact CB-CD1 4.22Å; F572-I602 HydrophobicContact CB-CG2 4.32Å; F572-I602 HydrophobicContact CD1-CD1 4.01Å; F572-I602 HydrophobicContact CD1-CG1 3.93Å; F572-I602 HydrophobicContact CD2-CG1 4.22Å; F572-I602 HydrophobicContact CD2-CG2 4.04Å; F572-I602 HydrophobicContact CE1-CG1 4.1Å; F572-I602 HydrophobicContact CE2-CG1 4.39Å; F572-I602 HydrophobicContact CG-CD1 4.13Å; F572-I602 HydrophobicContact CG-CG1 3.98Å; F572-I602 HydrophobicContact CG-CG2 4.23Å; F572-I602 HydrophobicContact CZ-CG1 4.33Å; I576-I602 HydrophobicContact CD1-CD1 4.27Å; A598-I602 HydrophobicContact CB-CD1 3.76Å; A598-I602 WeakPolarHBondContact O-CB 3.21Å; A598-I602 WeakPolarHBondContact O-CD1 3.3Å; A598-I602 WeakPolarHBondContact O-CG1 3.09Å; A598-I602 PolarHBondContact O-N 2.87Å; A598-I602 VanDerWaalsContact O-N 3.07Å; H599-I602 PolarHBondContact O-N 3.26Å; I602-G604 PolarHBondContact O-N 3.33Å; I602-F605 PolarHBondContact O-N 2.68Å; I602-F605 VanDerWaalsContact O-N 3.1Å; I602-G608 WeakPolarHBondContact O-CA 3.16Å; I602-Y609 HydrophobicContact CD1-CD1 4.42Å; I602-Y609 HydrophobicContact CD1-CE1 4.02Å; I602-Y609 HydrophobicContact CG2-CD1 3.74Å; I602-Y609 HydrophobicContact CG2-CD2 3.86Å; I602-Y609 HydrophobicContact CG2-CE1 3.91Å; I602-Y609 HydrophobicContact CG2-CE2 4.01Å; I602-Y609 HydrophobicContact CG2-CG 3.72Å
603	S	91.9	Very high	90.4	Very high	61 Å²	61	49.4 Å²	49.4	43%	0.427	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.4	177.1	-63.1	0	0	0	0	113.4	H599 F601 F605	H599-S603 PolarHBondContact CE1-OG 3.45Å; H599-S603 PolarHBondContact ND1-OG 2.85Å; H599-S603 PolarHBondContact NE2-OG 2.8Å; H599-S603 VanDerWaalsContact O-CB 3.31Å; H599-S603 WeakPolarHBondContact O-CB 3.44Å; H599-S603 PolarHBondContact O-N 3.42Å; H599-S603 PolarHBondContact O-OG 3.5Å; F601-S603 VanDerWaalsContact C-N 3.32Å; F601-S603 PolarHBondContact O-N 3.47Å; S603-F605 VanDerWaalsContact C-N 3.33Å
604	G	89.9	Confident	89.8	Confident	63 Å²	63	50.2 Å²	50.2	65%	0.649	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.8	174.6	0	0	0	0	0	114.3	F601 I602	F601-G604 PolarHBondContact O-N 3.3Å; F601-G604 VanDerWaalsContact O-N 3.09Å; I602-G604 PolarHBondContact O-N 3.33Å
605	F	91	Very high	89	Confident	60 Å²	60	54 Å²	54	26%	0.263	30%	0.301	S	S	.	.	S	Bend	trans	-78.6	148.1	176.7	-79	-88.4	0	0	0	112	F572 F601 I602 S603 Q607 G608 T611 L620	F572-F605 AromaticContact CE2-CD2 3.86Å; F572-F605 HydrophobicContact CE2-CD2 3.86Å; F572-F605 HydrophobicContact CE2-CE2 4.01Å; F572-F605 HydrophobicContact CE2-CG 4.31Å; F572-F605 HydrophobicContact CZ-CD2 4.18Å; F572-F605 AromaticContact CZ-CE2 3.86Å; F572-F605 HydrophobicContact CZ-CE2 3.86Å; F572-F605 HydrophobicContact CZ-CZ 4.36Å; F601-F605 AromaticContact CD2-CE2 3.98Å; F601-F605 HydrophobicContact CD2-CE2 3.98Å; F601-F605 HydrophobicContact CE2-CE2 4.47Å; F601-F605 VanDerWaalsContact O-CD2 3.29Å; F601-F605 WeakPolarHBondContact O-CD2 3.43Å; I602-F605 PolarHBondContact O-N 2.68Å; I602-F605 VanDerWaalsContact O-N 3.1Å; S603-F605 VanDerWaalsContact C-N 3.33Å; F605-Q607 PolarHBondContact O-N 2.91Å; F605-Q607 VanDerWaalsContact O-N 3.11Å; F605-G608 PolarHBondContact O-N 3.35Å; F605-T611 HydrophobicContact CB-CG2 4.17Å; F605-T611 WeakPolarHBondContact CB-OG1 3.5Å; F605-T611 HydrophobicContact CD1-CG2 3.75Å; F605-T611 HydrophobicContact CE1-CG2 4.37Å; F605-T611 HydrophobicContact CG-CG2 4.07Å; F605-L620 HydrophobicContact CE2-CD2 4.29Å; F605-L620 HydrophobicContact CZ-CD2 3.95Å
606	P	86.1	Confident	88	Confident	133 Å²	133	54.2 Å²	54.2	86%	0.864	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.2	-177.2	-26.6	34.3	0	0	0	115.4
607	Q	91.1	Very high	86.9	Confident	129 Å²	129	54.2 Å²	54.2	60%	0.603	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	12.1	177.8	-59.8	174.6	-20.7	0	0	112.2	F605 Y609 D610 T611	F605-Q607 PolarHBondContact O-N 2.91Å; F605-Q607 VanDerWaalsContact O-N 3.11Å; Q607-Y609 PolarHBondContact O-N 3.33Å; Q607-D610 PolarHBondContact O-N 2.9Å; Q607-T611 WeakPolarHBondContact CB-OG1 3.47Å; Q607-T611 PolarHBondContact N-OG1 3.25Å
608	G	93.1	Very high	86.1	Confident	16 Å²	16	60 Å²	60	17%	0.165	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	50.2	-123.9	-179.3	0	0	0	0	0	113	I602 F605 D610 T611	I602-G608 WeakPolarHBondContact O-CA 3.16Å; F605-G608 PolarHBondContact O-N 3.35Å; G608-D610 PolarHBondContact O-N 3.37Å; G608-T611 WeakPolarHBondContact O-CB 3.37Å; G608-T611 PolarHBondContact O-N 3.12Å; G608-T611 PolarHBondContact O-OG1 3.09Å; G608-T611 VanDerWaalsContact O-OG1 3.12Å
609	Y	93.9	Very high	85.2	Confident	22 Å²	22	66.6 Å²	66.6	9%	0.086	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-68.1	-18	-179.4	-74.8	-91	0	0	0	115.1	F572 R573 I576 M586 I589 A593 H599 I602 Q607 T611	F572-Y609 HydrophobicContact CB-CD1 4.48Å; F572-Y609 PolarHBondContact N-O 3.15Å; R573-Y609 PolarHBondContact N-O 2.95Å; I576-Y609 HydrophobicContact CD1-CD1 4.39Å; I576-Y609 HydrophobicContact CD1-CE1 4.11Å; M586-Y609 HydrophobicContact CE-CD1 3.65Å; M586-Y609 HydrophobicContact CE-CD2 3.34Å; M586-Y609 HydrophobicContact CE-CE1 3.86Å; M586-Y609 HydrophobicContact CE-CE2 3.58Å; M586-Y609 HydrophobicContact CE-CG 3.37Å; I589-Y609 HydrophobicContact CG2-CD1 3.85Å; I589-Y609 HydrophobicContact CG2-CE1 3.77Å; A593-Y609 HydrophobicContact CB-CE1 3.97Å; A593-Y609 WeakPolarHBondContact CB-OH 3.35Å; H599-Y609 AromaticContact ND1-CE2 3.98Å; H599-Y609 AromaticContact ND1-CZ 3.88Å; H599-Y609 PolarHBondContact ND1-OH 3.45Å; I602-Y609 HydrophobicContact CD1-CD1 4.42Å; I602-Y609 HydrophobicContact CD1-CE1 4.02Å; I602-Y609 HydrophobicContact CG2-CD1 3.74Å; I602-Y609 HydrophobicContact CG2-CD2 3.86Å; I602-Y609 HydrophobicContact CG2-CE1 3.91Å; I602-Y609 HydrophobicContact CG2-CE2 4.01Å; I602-Y609 HydrophobicContact CG2-CG 3.72Å; Q607-Y609 PolarHBondContact O-N 3.33Å; Y609-T611 VanDerWaalsContact C-N 3.32Å
610	D	94.1	Very high	84.8	Confident	83 Å²	83	65.3 Å²	65.3	44%	0.444	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-90.3	-1.7	179.4	-58.4	-40.5	0	0	0	111.7	R573 Q607 G608 E612	R573-D610 IonicContact CZ-OD1 3.24Å; R573-D610 IonicContact NE-OD1 3Å; R573-D610 PolarHBondContact NE-OD1 3.14Å; R573-D610 IonicContact NH2-OD1 2.76Å; R573-D610 PolarHBondContact NH2-OD1 3.05Å; R573-D610 IonicContact NH2-OD2 3.37Å; R573-D610 PolarHBondContact NH2-OD2 3.12Å; Q607-D610 PolarHBondContact O-N 2.9Å; G608-D610 PolarHBondContact O-N 3.37Å; D610-E612 PolarHBondContact O-N 2.99Å
611	T	92.4	Very high	84.7	Confident	15 Å²	15	64.2 Å²	64.2	9%	0.092	36%	0.362	C	S	.	.			trans	-63.3	128.5	172.1	-61.1	0	0	0	0	111.3	S571 F572 F605 Q607 G608 Y609	S571-T611 VanDerWaalsContact CA-O 3.27Å; S571-T611 WeakPolarHBondContact CA-O 3.48Å; F572-T611 WeakPolarHBondContact CD2-O 3.49Å; F572-T611 HydrophobicContact CE2-CG2 4.1Å; F572-T611 PolarHBondContact N-O 3.48Å; F572-T611 VanDerWaalsContact N-O 3.14Å; F605-T611 HydrophobicContact CB-CG2 4.17Å; F605-T611 WeakPolarHBondContact CB-OG1 3.5Å; F605-T611 HydrophobicContact CD1-CG2 3.75Å; F605-T611 HydrophobicContact CE1-CG2 4.37Å; F605-T611 HydrophobicContact CG-CG2 4.07Å; Q607-T611 WeakPolarHBondContact CB-OG1 3.47Å; Q607-T611 PolarHBondContact N-OG1 3.25Å; G608-T611 WeakPolarHBondContact O-CB 3.37Å; G608-T611 PolarHBondContact O-N 3.12Å; G608-T611 PolarHBondContact O-OG1 3.09Å; G608-T611 VanDerWaalsContact O-OG1 3.12Å; Y609-T611 VanDerWaalsContact C-N 3.32Å
612	E	90.5	Very high	84.5	Confident	140 Å²	140	63.9 Å²	63.9	65%	0.654	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-74	132.3	174.2	-66.1	-172.7	172.6	0	0	111.8	D610 G614	D610-E612 PolarHBondContact O-N 2.99Å; E612-G614 VanDerWaalsContact C-N 3.32Å; E612-G614 PolarHBondContact O-N 2.95Å
613	V	85.3	Confident	84.1	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.012	37%	0.373	C	S	.	.			trans	-81	-12.2	-173.6	174.6	0	0	0	0	113.1	L567 R570 F572 L620	L567-V613 HydrophobicContact CB-CG1 3.96Å; L567-V613 HydrophobicContact CD1-CG1 3.69Å; R570-V613 WeakPolarHBondContact O-CG2 3.09Å; R570-V613 PolarHBondContact O-N 2.66Å; F572-V613 HydrophobicContact CD1-CG2 3.61Å; F572-V613 HydrophobicContact CD2-CG2 4.32Å; F572-V613 HydrophobicContact CE1-CG2 3.62Å; F572-V613 HydrophobicContact CE2-CG2 4.32Å; F572-V613 HydrophobicContact CG-CG2 3.98Å; F572-V613 HydrophobicContact CZ-CG2 3.99Å; V613-L620 HydrophobicContact CG1-CD1 3.59Å; V613-L620 HydrophobicContact CG1-CG 4.25Å; V613-L620 HydrophobicContact CG2-CD1 4.48Å
614	G	79.2	Confident	84	Confident	18 Å²	18	63.9 Å²	63.9	19%	0.186	36%	0.364	C	S	.	.			trans	75.7	175.3	-176.3	0	0	0	0	0	114.3	G569 E612 T616 G617	G569-G614 WeakPolarHBondContact CA-O 3.36Å; E612-G614 VanDerWaalsContact C-N 3.32Å; E612-G614 PolarHBondContact O-N 2.95Å; G614-T616 PolarHBondContact O-N 3.37Å; G614-G617 PolarHBondContact O-N 3.5Å
615	E	73.4	Confident	84	Confident	171 Å²	171	63.9 Å²	63.9	80%	0.799	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-58.4	126.1	179.2	-67	-174.8	169.3	0	0	111	G617 N618	E615-G617 PolarHBondContact O-N 3.24Å; E615-N618 PolarHBondContact O-N 3.42Å
616	T	65.2	Low	84	Confident	67 Å²	67	61.3 Å²	61.3	41%	0.411	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	52.3	11.9	-178	57.8	0	0	0	0	116.5	L567 G614 N618	L567-T616 WeakPolarHBondContact O-CA 3.5Å; G614-T616 PolarHBondContact O-N 3.37Å; T616-N618 VanDerWaalsContact C-N 3.32Å; T616-N618 PolarHBondContact OG1-ND2 3.35Å; T616-N618 PolarHBondContact OG1-OD1 3.14Å
617	G	63.5	Low	84.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	66.1	29.3	-174.7	0	0	0	0	0	114.7	G614 E615 Q619 L620	G614-G617 PolarHBondContact O-N 3.5Å; E615-G617 PolarHBondContact O-N 3.24Å; G617-Q619 PolarHBondContact O-N 3.14Å; G617-Q619 VanDerWaalsContact O-N 3.08Å; G617-L620 PolarHBondContact O-N 2.95Å
618	N	70.1	Confident	84.3	Confident	122 Å²	122	48.9 Å²	48.9	65%	0.652	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.6	179	-72.8	-7.6	0	0	0	113.9	E615 T616 L620	E615-N618 PolarHBondContact O-N 3.42Å; T616-N618 VanDerWaalsContact C-N 3.32Å; T616-N618 PolarHBondContact OG1-ND2 3.35Å; T616-N618 PolarHBondContact OG1-OD1 3.14Å; N618-L620 VanDerWaalsContact C-N 3.28Å
619	Q	73.1	Confident	84.3	Confident	137 Å²	137	48.4 Å²	48.4	64%	0.64	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.2	175.7	-60.6	-177.2	5.2	0	0	113.3	G617	G617-Q619 PolarHBondContact O-N 3.14Å; G617-Q619 VanDerWaalsContact O-N 3.08Å
620	L	84.1	Confident	84.2	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.063	26%	0.256	C	S	.	.	S	Bend	trans	-108.8	146.7	-175.5	-61.3	179.1	0	0	0	112	L567 F572 F601 F605 V613 G617 N618 Q624 R625	L567-L620 HydrophobicContact CD1-CD1 3.57Å; F572-L620 HydrophobicContact CE1-CD1 3.7Å; F572-L620 HydrophobicContact CE1-CD2 4.3Å; F572-L620 HydrophobicContact CZ-CD1 4.11Å; F572-L620 HydrophobicContact CZ-CD2 3.92Å; F601-L620 HydrophobicContact CE2-CD2 4.48Å; F605-L620 HydrophobicContact CE2-CD2 4.29Å; F605-L620 HydrophobicContact CZ-CD2 3.95Å; V613-L620 HydrophobicContact CG1-CD1 3.59Å; V613-L620 HydrophobicContact CG1-CG 4.25Å; V613-L620 HydrophobicContact CG2-CD1 4.48Å; G617-L620 PolarHBondContact O-N 2.95Å; N618-L620 VanDerWaalsContact C-N 3.28Å; L620-Q624 HydrophobicContact CB-CB 4.04Å; L620-Q624 HydrophobicContact CD2-CB 4.45Å; L620-R625 HydrophobicContact CB-CG 3.78Å; L620-R625 HydrophobicContact CD1-CG 4.39Å
621	S	87.2	Confident	84.1	Confident	62 Å²	62	43.8 Å²	43.8	43%	0.434	24%	0.235	S	C	.	.			trans	-65.1	160.7	171.3	77.4	0	0	0	0	111.3	G623 Q624 R625	S621-G623 VanDerWaalsContact C-N 3.31Å; S621-G623 PolarHBondContact O-N 3.39Å; S621-Q624 PolarHBondContact O-N 2.91Å; S621-Q624 VanDerWaalsContact OG-CG 3.3Å; S621-Q624 WeakPolarHBondContact OG-CG 3.36Å; S621-Q624 PolarHBondContact OG-N 2.98Å; S621-R625 WeakPolarHBondContact O-CG 3.44Å; S621-R625 PolarHBondContact O-N 3.32Å
622	G	85.3	Confident	84.2	Confident	29 Å²	29	44.6 Å²	44.6	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-52.9	-46.8	175.4	0	0	0	0	0	112.8	R625 Q626	G622-R625 PolarHBondContact O-N 2.96Å; G622-Q626 WeakPolarHBondContact O-CG 3.43Å; G622-Q626 PolarHBondContact O-N 3.17Å
623	G	86.4	Confident	84.3	Confident	8 Å²	8	38.2 Å²	38.2	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-41.2	177.1	0	0	0	0	0	113.7	S621 R625 Q626 A627 A649 L650	S621-G623 VanDerWaalsContact C-N 3.31Å; S621-G623 PolarHBondContact O-N 3.39Å; G623-R625 VanDerWaalsContact C-N 3.33Å; G623-R625 PolarHBondContact O-N 3.47Å; G623-Q626 PolarHBondContact O-N 3.31Å; G623-A627 PolarHBondContact O-N 3.45Å; G623-A649 WeakPolarHBondContact CA-O 3.36Å; G623-A649 PolarHBondContact N-O 3.18Å; G623-L650 WeakPolarHBondContact O-CD2 3.42Å
624	Q	89	Confident	84.5	Confident	52 Å²	52	38.4 Å²	38.4	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-42.3	175.8	-74.6	169.7	-18.4	0	0	111.5	F601 L620 S621 Q626 A627 V628	F601-Q624 HydrophobicContact CD1-CG 3.95Å; F601-Q624 HydrophobicContact CD2-CG 4.05Å; F601-Q624 HydrophobicContact CE1-CB 4.05Å; F601-Q624 HydrophobicContact CE1-CG 3.9Å; F601-Q624 HydrophobicContact CE2-CB 4.1Å; F601-Q624 HydrophobicContact CE2-CG 4.06Å; F601-Q624 HydrophobicContact CG-CG 4.01Å; F601-Q624 HydrophobicContact CZ-CB 3.81Å; F601-Q624 HydrophobicContact CZ-CG 3.98Å; L620-Q624 HydrophobicContact CB-CB 4.04Å; L620-Q624 HydrophobicContact CD2-CB 4.45Å; S621-Q624 PolarHBondContact O-N 2.91Å; S621-Q624 VanDerWaalsContact OG-CG 3.3Å; S621-Q624 WeakPolarHBondContact OG-CG 3.36Å; S621-Q624 PolarHBondContact OG-N 2.98Å; Q624-Q626 VanDerWaalsContact C-N 3.35Å; Q624-Q626 PolarHBondContact O-N 3.07Å; Q624-A627 PolarHBondContact O-N 3.07Å; Q624-V628 WeakPolarHBondContact O-CG2 3.46Å; Q624-V628 PolarHBondContact O-N 3.03Å; Q624-V628 VanDerWaalsContact O-N 3.08Å
625	R	90.6	Very high	85.2	Confident	63 Å²	63	37.9 Å²	37.9	24%	0.238	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-42.1	175.6	-68.1	-174.9	-72.7	175	2.9	112	P565 L567 L620 S621 G622 G623 V628 A629	P565-R625 HydrophobicContact CG-CB 4.32Å; L567-R625 HydrophobicContact CD1-CB 4.34Å; L567-R625 HydrophobicContact CD1-CG 3.95Å; L567-R625 HydrophobicContact CG-CG 4.42Å; L620-R625 HydrophobicContact CB-CG 3.78Å; L620-R625 HydrophobicContact CD1-CG 4.39Å; S621-R625 WeakPolarHBondContact O-CG 3.44Å; S621-R625 PolarHBondContact O-N 3.32Å; G622-R625 PolarHBondContact O-N 2.96Å; G623-R625 VanDerWaalsContact C-N 3.33Å; G623-R625 PolarHBondContact O-N 3.47Å; R625-V628 PolarHBondContact O-N 3.48Å; R625-A629 WeakPolarHBondContact O-CB 3.42Å; R625-A629 PolarHBondContact O-N 2.97Å
626	Q	89.9	Confident	86	Confident	6 Å²	6	33 Å²	33	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-44.8	174.7	-74.1	-177.7	-16.7	0	0	112.3	Q563 P565 G622 G623 Q624 V628 A629 L630 D645 A646 A649 L650	Q563-Q626 PolarHBondContact O-NE2 3.39Å; Q563-Q626 VanDerWaalsContact O-NE2 3.1Å; P565-Q626 HydrophobicContact CG-CB 4.49Å; P565-Q626 HydrophobicContact CG-CG 3.95Å; G622-Q626 WeakPolarHBondContact O-CG 3.43Å; G622-Q626 PolarHBondContact O-N 3.17Å; G623-Q626 PolarHBondContact O-N 3.31Å; Q624-Q626 VanDerWaalsContact C-N 3.35Å; Q624-Q626 PolarHBondContact O-N 3.07Å; Q626-V628 PolarHBondContact O-N 3.41Å; Q626-A629 PolarHBondContact O-N 2.96Å; Q626-L630 WeakPolarHBondContact O-CB 3.21Å; Q626-L630 PolarHBondContact O-N 2.83Å; Q626-D645 PolarHBondContact NE2-O 3.26Å; Q626-A646 PolarHBondContact OE1-O 3.42Å; Q626-A649 VanDerWaalsContact OE1-N 3.16Å; Q626-L650 HydrophobicContact CB-CD2 4.24Å; Q626-L650 HydrophobicContact CB-CG 4.48Å
627	A	90.9	Very high	87.1	Confident	1 Å²	1	36 Å²	36	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-40.1	178.5	0	0	0	0	0	113	S596 A598 F601 G623 Q624 L630 A631 L650	S596-A627 VanDerWaalsContact CB-O 3.22Å; S596-A627 WeakPolarHBondContact CB-O 3.26Å; S596-A627 PolarHBondContact OG-O 3.13Å; A598-A627 HydrophobicContact CB-CB 4.03Å; F601-A627 HydrophobicContact CE1-CB 4.07Å; G623-A627 PolarHBondContact O-N 3.45Å; Q624-A627 PolarHBondContact O-N 3.07Å; A627-L630 PolarHBondContact O-N 3.47Å; A627-A631 PolarHBondContact O-N 3.1Å; A627-L650 HydrophobicContact CB-CD2 4.09Å
628	V	93	Very high	88.4	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-42.4	174.3	178.9	0	0	0	0	111.2	L567 F572 N575 I576 F601 Q624 R625 Q626 L630 A631 R632	L567-V628 HydrophobicContact CD1-CB 4.25Å; L567-V628 HydrophobicContact CD1-CG1 4.3Å; L567-V628 HydrophobicContact CD1-CG2 4.47Å; L567-V628 HydrophobicContact CD2-CB 4.09Å; L567-V628 HydrophobicContact CD2-CG1 3.78Å; F572-V628 HydrophobicContact CD1-CG2 3.93Å; F572-V628 HydrophobicContact CE1-CG2 3.98Å; N575-V628 HydrophobicContact CB-CG1 4.17Å; I576-V628 HydrophobicContact CG1-CG1 4.18Å; F601-V628 HydrophobicContact CE2-CG2 4.5Å; F601-V628 HydrophobicContact CZ-CG2 3.76Å; Q624-V628 WeakPolarHBondContact O-CG2 3.46Å; Q624-V628 PolarHBondContact O-N 3.03Å; Q624-V628 VanDerWaalsContact O-N 3.08Å; R625-V628 PolarHBondContact O-N 3.48Å; Q626-V628 PolarHBondContact O-N 3.41Å; V628-L630 VanDerWaalsContact C-N 3.3Å; V628-L630 PolarHBondContact O-N 3.42Å; V628-A631 PolarHBondContact O-N 3.36Å; V628-R632 WeakPolarHBondContact O-CB 3.33Å; V628-R632 PolarHBondContact O-N 2.89Å
629	A	92.7	Very high	89.5	Confident	7 Å²	7	34.1 Å²	34.1	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-35.6	178.3	0	0	0	0	0	112.2	V561 P565 R625 Q626 R632 A633	V561-A629 HydrophobicContact CG1-CB 3.87Å; P565-A629 HydrophobicContact CB-CB 3.36Å; P565-A629 HydrophobicContact CG-CB 3.73Å; R625-A629 WeakPolarHBondContact O-CB 3.42Å; R625-A629 PolarHBondContact O-N 2.97Å; Q626-A629 PolarHBondContact O-N 2.96Å; A629-R632 WeakPolarHBondContact O-CB 3.01Å; A629-R632 PolarHBondContact O-N 3.38Å; A629-A633 PolarHBondContact O-N 3.09Å
630	L	92	Very high	90.4	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-44.9	172.7	-176.7	62.3	0	0	0	111.4	V561 Q626 A627 V628 R632 A633 L634 L643 V658	V561-L630 HydrophobicContact CG2-CD1 4.2Å; Q626-L630 WeakPolarHBondContact O-CB 3.21Å; Q626-L630 PolarHBondContact O-N 2.83Å; A627-L630 PolarHBondContact O-N 3.47Å; V628-L630 VanDerWaalsContact C-N 3.3Å; V628-L630 PolarHBondContact O-N 3.42Å; L630-R632 VanDerWaalsContact C-N 3.29Å; L630-R632 PolarHBondContact O-N 3.27Å; L630-A633 WeakPolarHBondContact O-CB 3.48Å; L630-A633 PolarHBondContact O-N 3.4Å; L630-L634 HydrophobicContact CD1-CD1 4.36Å; L630-L634 HydrophobicContact CD1-CG 4.24Å; L630-L634 HydrophobicContact CG-CD1 4.02Å; L630-L634 HydrophobicContact CG-CG 4.33Å; L630-L634 VanDerWaalsContact O-CG 3.31Å; L630-L634 WeakPolarHBondContact O-CG 3.44Å; L630-L634 PolarHBondContact O-N 3.21Å; L630-L643 HydrophobicContact CD1-CD2 3.9Å; L630-V658 HydrophobicContact CD2-CB 4.44Å; L630-V658 HydrophobicContact CD2-CG1 4.09Å; L630-V658 HydrophobicContact CD2-CG2 3.49Å; L630-V658 VanDerWaalsContact CD2-CG2 3.49Å
631	A	92.9	Very high	90.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.8	-42.5	172.2	0	0	0	0	0	112.1	I576 V592 S596 A627 V628 A633 L634 I635	I576-A631 HydrophobicContact CD1-CB 4.22Å; I576-A631 HydrophobicContact CG1-CB 4.03Å; I576-A631 HydrophobicContact CG2-CB 4.18Å; V592-A631 HydrophobicContact CG2-CB 4.23Å; S596-A631 WeakPolarHBondContact OG-CB 3.22Å; A627-A631 PolarHBondContact O-N 3.1Å; V628-A631 PolarHBondContact O-N 3.36Å; A631-A633 VanDerWaalsContact C-N 3.28Å; A631-A633 PolarHBondContact O-N 3.24Å; A631-L634 PolarHBondContact O-N 2.92Å; A631-I635 PolarHBondContact O-N 3.16Å
632	R	93.9	Very high	91.2	Very high	33 Å²	33	24.2 Å²	24.2	13%	0.125	11%	0.114	C	C	.	.	H	α-helix	trans	-60.9	-34.1	175.3	-177.4	-167.4	-63.1	165.3	0.6	112.6	L566 N575 V628 A629 L630 I635	L566-R632 PolarHBondContact O-NH1 3.39Å; N575-R632 PolarHBondContact O-NE 3.09Å; N575-R632 PolarHBondContact O-NH2 2.98Å; N575-R632 PolarHBondContact OD1-NH2 3.34Å; V628-R632 WeakPolarHBondContact O-CB 3.33Å; V628-R632 PolarHBondContact O-N 2.89Å; A629-R632 WeakPolarHBondContact O-CB 3.01Å; A629-R632 PolarHBondContact O-N 3.38Å; L630-R632 VanDerWaalsContact C-N 3.29Å; L630-R632 PolarHBondContact O-N 3.27Å; R632-I635 WeakPolarHBondContact O-CG2 3.49Å
633	A	92.3	Very high	91.6	Very high	6 Å²	6	22.9 Å²	22.9	5%	0.05	10%	0.1	C	C	.	.	H	α-helix	trans	-74.9	-44.4	174.5	0	0	0	0	0	111.7	A559 V561 A629 L630 A631 R636 P638 L641	A559-A633 HydrophobicContact CB-CB 3.86Å; V561-A633 HydrophobicContact CG2-CB 3.72Å; A629-A633 PolarHBondContact O-N 3.09Å; L630-A633 WeakPolarHBondContact O-CB 3.48Å; L630-A633 PolarHBondContact O-N 3.4Å; A631-A633 VanDerWaalsContact C-N 3.28Å; A631-A633 PolarHBondContact O-N 3.24Å; A633-R636 PolarHBondContact O-N 3.41Å; A633-P638 WeakPolarHBondContact O-CD 3.2Å; A633-L641 HydrophobicContact CB-CD1 3.98Å
634	L	90.6	Very high	91.8	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-68.3	-35.5	-174.9	-68.8	176.2	0	0	0	113.4	V592 E595 L630 A631 R636 K637 W668	V592-L634 HydrophobicContact CB-CB 4.38Å; V592-L634 HydrophobicContact CG1-CB 4.37Å; E595-L634 HydrophobicContact CB-CD1 4.22Å; L630-L634 HydrophobicContact CD1-CD1 4.36Å; L630-L634 HydrophobicContact CD1-CG 4.24Å; L630-L634 HydrophobicContact CG-CD1 4.02Å; L630-L634 HydrophobicContact CG-CG 4.33Å; L630-L634 VanDerWaalsContact O-CG 3.31Å; L630-L634 WeakPolarHBondContact O-CG 3.44Å; L630-L634 PolarHBondContact O-N 3.21Å; A631-L634 PolarHBondContact O-N 2.92Å; L634-R636 PolarHBondContact O-N 2.89Å; L634-R636 VanDerWaalsContact O-N 3.07Å; L634-K637 PolarHBondContact O-N 3.19Å; L634-W668 HydrophobicContact CD2-CH2 3.95Å; L634-W668 HydrophobicContact CD2-CZ2 3.7Å
635	I	92.3	Very high	91.5	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.041	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.3	179.6	-160.4	165.3	0	0	0	113.6	I576 L580 P584 I589 V592 A631 R632 K637	I576-I635 HydrophobicContact CG2-CD1 3.89Å; I576-I635 WeakPolarHBondContact O-CG2 3.48Å; L580-I635 HydrophobicContact CD1-CD1 3.97Å; L580-I635 HydrophobicContact CD1-CG1 4.03Å; L580-I635 HydrophobicContact CD1-CG2 3.99Å; P584-I635 HydrophobicContact CB-CD1 3.8Å; P584-I635 HydrophobicContact CG-CD1 3.85Å; I589-I635 HydrophobicContact CG1-CD1 4.04Å; V592-I635 HydrophobicContact CG1-CB 4.21Å; V592-I635 HydrophobicContact CG1-CG1 4.48Å; V592-I635 HydrophobicContact CG2-CB 4.14Å; V592-I635 HydrophobicContact CG2-CD1 4.32Å; V592-I635 HydrophobicContact CG2-CG1 4.39Å; A631-I635 PolarHBondContact O-N 3.16Å; R632-I635 WeakPolarHBondContact O-CG2 3.49Å; I635-K637 VanDerWaalsContact C-N 3.31Å
636	R	90	Very high	90.8	Very high	67 Å²	67	18.9 Å²	18.9	25%	0.253	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.1	177.2	-61.7	-178.8	-178.7	-173.3	1.3	113.2	H555 Y578 L580 A633 L634	H555-R636 PolarHBondContact O-NH1 3.27Å; Y578-R636 PolarHBondContact O-NH2 3.46Å; L580-R636 HydrophobicContact CD2-CG 3.99Å; A633-R636 PolarHBondContact O-N 3.41Å; L634-R636 PolarHBondContact O-N 2.89Å; L634-R636 VanDerWaalsContact O-N 3.07Å
637	K	89	Confident	90.1	Very high	131 Å²	131	18.7 Å²	18.7	57%	0.57	8%	0.083	S	C	*	.			trans	49.7	56	-173.7	-59.4	-178.1	177.8	-176.7	0	112.2	L634 I635	L634-K637 PolarHBondContact O-N 3.19Å; I635-K637 VanDerWaalsContact C-N 3.31Å
638	P	91.4	Very high	89.3	Confident	1 Å²	1	21 Å²	21	1%	0.006	10%	0.098	C	C	.	.			trans	-66.8	149.8	-173.7	31.6	-38.7	0	0	0	112.2	Q557 A559 A633 L641 R671	Q557-P638 CarbonylContact O-C 3.5Å; Q557-P638 WeakPolarHBondContact O-CA 3.49Å; Q557-P638 VanDerWaalsContact O-CB 3.28Å; Q557-P638 WeakPolarHBondContact O-CB 3.23Å; A559-P638 HydrophobicContact CB-CB 3.75Å; A559-P638 HydrophobicContact CB-CG 3.69Å; A633-P638 WeakPolarHBondContact O-CD 3.2Å; P638-L641 HydrophobicContact CG-CB 4.46Å; P638-L641 HydrophobicContact CG-CD1 4.24Å; P638-R671 WeakPolarHBondContact O-CD 3.37Å
639	R	91.9	Very high	88.5	Confident	82 Å²	82	23.3 Å²	23.3	31%	0.309	12%	0.118	S	C	.	.	S	Bend	trans	-80.2	-29.3	170.2	-68.4	-68.9	-176.1	-175.1	0.5	112.3	M476 Q557 S670 T672	M476-R639 HydrophobicContact CB-CG 4.24Å; M476-R639 HydrophobicContact CG-CB 4.36Å; M476-R639 HydrophobicContact CG-CG 4.39Å; M476-R639 HydrophobicContact SD-CB 4.01Å; M476-R639 HydrophobicContact SD-CG 4.38Å; Q557-R639 PolarHBondContact O-N 3.03Å; R639-S670 PolarHBondContact NH1-OG 3.24Å; R639-T672 PolarHBondContact O-N 2.94Å
640	L	93.3	Very high	87.7	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.3	174.3	-179	65.1	0	0	0	109.3	V480 L505 L528 Q557 V558 A559 I642 T672	V480-L640 HydrophobicContact CG2-CD1 4.2Å; V480-L640 HydrophobicContact CG2-CD2 3.96Å; L505-L640 HydrophobicContact CD1-CD1 4.42Å; L528-L640 HydrophobicContact CD2-CD2 4.22Å; Q557-L640 PolarHBondContact O-N 3.13Å; V558-L640 WeakPolarHBondContact CA-O 3.44Å; V558-L640 HydrophobicContact CG1-CB 4.48Å; V558-L640 HydrophobicContact CG1-CD2 4.01Å; V558-L640 HydrophobicContact CG1-CG 4.33Å; V558-L640 HydrophobicContact CG2-CB 4.14Å; V558-L640 HydrophobicContact CG2-CD2 3.98Å; A559-L640 PolarHBondContact N-O 2.92Å; L640-I642 HydrophobicContact CG-CG1 4.43Å; L640-T672 WeakPolarHBondContact CA-O 3.29Å; L640-T672 HydrophobicContact CD1-CG2 3.58Å
641	L	93.6	Very high	87.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.6	174	-175.5	68.9	0	0	0	110.6	A559 A633 P638 L643 W668 T672 V673 L674	A559-L641 HydrophobicContact CB-CD1 4.04Å; A559-L641 WeakPolarHBondContact O-CA 3.46Å; A633-L641 HydrophobicContact CB-CD1 3.98Å; P638-L641 HydrophobicContact CG-CB 4.46Å; P638-L641 HydrophobicContact CG-CD1 4.24Å; L641-L643 HydrophobicContact CD1-CD2 4.32Å; L641-L643 HydrophobicContact CD2-CD1 4.21Å; L641-L643 HydrophobicContact CD2-CD2 4.04Å; L641-L643 HydrophobicContact CD2-CG 4.11Å; L641-L643 HydrophobicContact CG-CD2 4.1Å; L641-L643 HydrophobicContact CG-CG 4.16Å; L641-W668 HydrophobicContact CB-CZ3 4.4Å; L641-W668 HydrophobicContact CD2-CH2 3.22Å; L641-W668 HydrophobicContact CD2-CZ2 4.47Å; L641-W668 HydrophobicContact CD2-CZ3 3.44Å; L641-W668 VanDerWaalsContact CD2-CZ3 3.44Å; L641-T672 PolarHBondContact N-O 3.38Å; L641-V673 WeakPolarHBondContact O-CA 3.48Å; L641-L674 PolarHBondContact O-N 2.98Å
642	I	94.7	Very high	86.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.2	177	-53.7	166.4	0	0	0	108.2	A525 L528 Q529 V558 A559 A560 V561 L640 L674	A525-I642 HydrophobicContact CB-CG2 3.73Å; L528-I642 HydrophobicContact CB-CD1 3.61Å; L528-I642 HydrophobicContact CD1-CD1 3.94Å; L528-I642 HydrophobicContact CD1-CG1 4.28Å; L528-I642 HydrophobicContact CG-CD1 4.43Å; Q529-I642 HydrophobicContact CG-CD1 3.94Å; V558-I642 HydrophobicContact CG1-CD1 3.93Å; A559-I642 PolarHBondContact O-N 3.41Å; A560-I642 CarbonylContact C-O 3.55Å; A560-I642 VanDerWaalsContact CA-O 3.28Å; A560-I642 WeakPolarHBondContact CA-O 3.47Å; A560-I642 HydrophobicContact CB-CB 3.99Å; A560-I642 HydrophobicContact CB-CD1 4.43Å; V561-I642 PolarHBondContact N-O 3.19Å; L640-I642 HydrophobicContact CG-CG1 4.43Å; I642-L674 WeakPolarHBondContact CA-O 3.44Å; I642-L674 HydrophobicContact CG1-CB 4.48Å; I642-L674 HydrophobicContact CG2-CD2 4.32Å
643	L	92.7	Very high	85.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.1	177.1	-61.9	178.3	0	0	0	108	V561 L630 L641 A646 L662 L674 L675 I676	V561-L643 HydrophobicContact CB-CD2 3.92Å; V561-L643 HydrophobicContact CG2-CD2 3.78Å; L630-L643 HydrophobicContact CD1-CD2 3.9Å; L641-L643 HydrophobicContact CD1-CD2 4.32Å; L641-L643 HydrophobicContact CD2-CD1 4.21Å; L641-L643 HydrophobicContact CD2-CD2 4.04Å; L641-L643 HydrophobicContact CD2-CG 4.11Å; L641-L643 HydrophobicContact CG-CD2 4.1Å; L641-L643 HydrophobicContact CG-CG 4.16Å; L643-A646 HydrophobicContact CB-CB 4.32Å; L643-A646 HydrophobicContact CD2-CB 4.23Å; L643-L662 HydrophobicContact CD1-CD1 3.84Å; L643-L662 HydrophobicContact CD1-CD2 3.88Å; L643-L662 HydrophobicContact CD1-CG 4.43Å; L643-L674 PolarHBondContact N-O 3.35Å; L643-L675 HydrophobicContact CB-CD1 3.8Å; L643-L675 HydrophobicContact CD1-CD1 4.22Å; L643-I676 PolarHBondContact O-N 3.42Å
644	D	91.3	Very high	85	Confident	19 Å²	19	31.9 Å²	31.9	10%	0.102	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	93	177.4	-164.1	5	0	0	0	110.4	S522 V561 G562 Q563 A646 I676	S522-D644 WeakPolarHBondContact CB-OD2 3.3Å; S522-D644 PolarHBondContact OG-OD2 3.37Å; V561-D644 PolarHBondContact O-N 2.9Å; G562-D644 CarbonylContact C-O 3.43Å; G562-D644 VanDerWaalsContact C-O 3.32Å; Q563-D644 WeakPolarHBondContact CA-O 3.48Å; Q563-D644 PolarHBondContact N-O 3.37Å; D644-A646 PolarHBondContact O-N 3.01Å; D644-I676 HydrophobicContact CB-CD1 4.14Å; D644-I676 WeakPolarHBondContact OD1-CB 3.46Å; D644-I676 VanDerWaalsContact OD1-CG2 3.27Å; D644-I676 WeakPolarHBondContact OD1-CG2 3.18Å
645	D	83.6	Confident	84.5	Confident	15 Å²	15	34.1 Å²	34.1	8%	0.08	20%	0.195	C	C	.	.	S	Bend	trans	50.4	26.6	-176.5	-157.2	46.2	0	0	0	114.1	Q563 Q626 T647 S648 I676	Q563-D645 HydrophobicContact CB-CB 4.47Å; Q563-D645 HydrophobicContact CG-CB 4.15Å; Q626-D645 PolarHBondContact NE2-O 3.26Å; D645-T647 PolarHBondContact O-N 2.93Å; D645-S648 VanDerWaalsContact CG-OG 3.28Å; D645-S648 PolarHBondContact O-N 2.83Å; D645-S648 PolarHBondContact O-OG 3.43Å; D645-S648 WeakPolarHBondContact OD1-CB 3.49Å; D645-S648 VanDerWaalsContact OD2-CB 3.24Å; D645-S648 WeakPolarHBondContact OD2-CB 3.46Å; D645-S648 PolarHBondContact OD2-OG 3.46Å; D645-I676 WeakPolarHBondContact CA-O 3.43Å; D645-I676 PolarHBondContact N-O 3.08Å
646	A	74.5	Confident	84.1	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.033	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	2	-171.5	0	0	0	0	0	114.6	V561 Q626 L643 D644	V561-A646 HydrophobicContact CB-CB 3.77Å; V561-A646 HydrophobicContact CG1-CB 3.49Å; V561-A646 VanDerWaalsContact CG1-CB 3.49Å; Q626-A646 PolarHBondContact OE1-O 3.42Å; L643-A646 HydrophobicContact CB-CB 4.32Å; L643-A646 HydrophobicContact CD2-CB 4.23Å; D644-A646 PolarHBondContact O-N 3.01Å
647	T	75.2	Confident	83.7	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-5.4	179.9	57.4	0	0	0	0	113.2	D645 A649 L650 Q655 V658 Q679 L682	D645-T647 PolarHBondContact O-N 2.93Å; T647-A649 PolarHBondContact O-N 2.94Å; T647-L650 HydrophobicContact CG2-CD1 4.23Å; T647-L650 PolarHBondContact O-N 3.47Å; T647-Q655 PolarHBondContact O-NE2 3.3Å; T647-V658 HydrophobicContact CG2-CB 4.33Å; T647-V658 HydrophobicContact CG2-CG1 3.74Å; T647-Q679 PolarHBondContact OG1-OE1 2.96Å; T647-Q679 VanDerWaalsContact OG1-OE1 3.1Å; T647-L682 HydrophobicContact CG2-CD1 4.39Å; T647-L682 WeakPolarHBondContact OG1-CD1 3.43Å
648	S	74.6	Confident	83.4	Confident	48 Å²	48	32.4 Å²	32.4	34%	0.336	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-32.6	-172.5	59	0	0	0	0	113.6	D645	D645-S648 VanDerWaalsContact CG-OG 3.28Å; D645-S648 PolarHBondContact O-N 2.83Å; D645-S648 PolarHBondContact O-OG 3.43Å; D645-S648 WeakPolarHBondContact OD1-CB 3.49Å; D645-S648 VanDerWaalsContact OD2-CB 3.24Å; D645-S648 WeakPolarHBondContact OD2-CB 3.46Å; D645-S648 PolarHBondContact OD2-OG 3.46Å
649	A	75.2	Confident	83	Confident	49 Å²	49	33.7 Å²	33.7	41%	0.405	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-0	-179.6	0	0	0	0	0	113.6	G623 Q626 T647	G623-A649 WeakPolarHBondContact CA-O 3.36Å; G623-A649 PolarHBondContact N-O 3.18Å; Q626-A649 VanDerWaalsContact OE1-N 3.16Å; T647-A649 PolarHBondContact O-N 2.94Å
650	L	77.7	Confident	82.6	Confident	8 Å²	8	36 Å²	36	4%	0.042	21%	0.205	C	C	.	.	S	Bend	trans	-74.8	144.5	174	-66.6	176.1	0	0	0	110.7	G623 Q626 A627 T647 N654 Q655 V658	G623-L650 WeakPolarHBondContact O-CD2 3.42Å; Q626-L650 HydrophobicContact CB-CD2 4.24Å; Q626-L650 HydrophobicContact CB-CG 4.48Å; A627-L650 HydrophobicContact CB-CD2 4.09Å; T647-L650 HydrophobicContact CG2-CD1 4.23Å; T647-L650 PolarHBondContact O-N 3.47Å; L650-N654 HydrophobicContact CB-CB 4.28Å; L650-N654 HydrophobicContact CD2-CB 4.29Å; L650-Q655 HydrophobicContact CB-CG 3.68Å; L650-Q655 PolarHBondContact O-NE2 3.43Å; L650-Q655 VanDerWaalsContact O-NE2 3.07Å; L650-V658 HydrophobicContact CD1-CG2 3.88Å
651	D	80.3	Confident	82.1	Confident	86 Å²	86	37 Å²	37	46%	0.46	21%	0.21	S	C	.	.			trans	-65.2	157.6	169	60.5	-69	0	0	0	111.2	G653 N654 Q655	D651-G653 PolarHBondContact O-N 3.42Å; D651-G653 VanDerWaalsContact O-N 3.11Å; D651-G653 PolarHBondContact OD2-N 2.89Å; D651-N654 PolarHBondContact O-N 2.9Å; D651-N654 VanDerWaalsContact O-N 3.1Å; D651-N654 WeakPolarHBondContact OD1-CB 3.49Å; D651-N654 VanDerWaalsContact OD1-CG 3.29Å; D651-N654 PolarHBondContact OD1-ND2 3.35Å; D651-N654 PolarHBondContact OD2-N 3.05Å; D651-Q655 WeakPolarHBondContact O-CG 3.3Å; D651-Q655 PolarHBondContact O-N 3.38Å
652	A	78.5	Confident	81.5	Confident	77 Å²	77	37.3 Å²	37.3	64%	0.636	21%	0.211	S	C	*	.	H	α-helix	trans	-56.2	-33.1	-175.2	0	0	0	0	0	113.6	L656	A652-L656 PolarHBondContact O-N 3.27Å; A652-L656 VanDerWaalsContact O-N 3.12Å
653	G	77.1	Confident	80.9	Confident	42 Å²	42	39.3 Å²	39.3	43%	0.433	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-49.3	176.9	0	0	0	0	0	112	D651 L656 R657	D651-G653 PolarHBondContact O-N 3.42Å; D651-G653 VanDerWaalsContact O-N 3.11Å; D651-G653 PolarHBondContact OD2-N 2.89Å; G653-L656 PolarHBondContact O-N 3.37Å; G653-R657 PolarHBondContact O-N 2.96Å
654	N	78.4	Confident	80.2	Confident	20 Å²	20	44.5 Å²	44.5	11%	0.107	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-36.4	176.8	-74.7	-29.7	0	0	0	112.9	G597 L650 D651 L656 R657 V658	G597-N654 WeakPolarHBondContact CA-OD1 3.47Å; L650-N654 HydrophobicContact CB-CB 4.28Å; L650-N654 HydrophobicContact CD2-CB 4.29Å; D651-N654 PolarHBondContact O-N 2.9Å; D651-N654 VanDerWaalsContact O-N 3.1Å; D651-N654 WeakPolarHBondContact OD1-CB 3.49Å; D651-N654 VanDerWaalsContact OD1-CG 3.29Å; D651-N654 PolarHBondContact OD1-ND2 3.35Å; D651-N654 PolarHBondContact OD2-N 3.05Å; N654-L656 VanDerWaalsContact C-N 3.31Å; N654-L656 PolarHBondContact O-N 3.34Å; N654-R657 WeakPolarHBondContact O-CB 3.12Å; N654-R657 PolarHBondContact O-N 3.05Å; N654-R657 VanDerWaalsContact O-N 3.15Å; N654-V658 WeakPolarHBondContact O-CG2 3.4Å; N654-V658 PolarHBondContact O-N 3.43Å
655	Q	80.3	Confident	79.4	Confident	53 Å²	53	45.1 Å²	45.1	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-44.5	172.7	-74.8	179.3	-16	0	0	111.7	T647 L650 D651 R657 V658 Q659	T647-Q655 PolarHBondContact O-NE2 3.3Å; L650-Q655 HydrophobicContact CB-CG 3.68Å; L650-Q655 PolarHBondContact O-NE2 3.43Å; L650-Q655 VanDerWaalsContact O-NE2 3.07Å; D651-Q655 WeakPolarHBondContact O-CG 3.3Å; D651-Q655 PolarHBondContact O-N 3.38Å; Q655-R657 VanDerWaalsContact C-N 3.34Å; Q655-R657 PolarHBondContact O-N 2.9Å; Q655-V658 PolarHBondContact O-N 2.92Å; Q655-Q659 WeakPolarHBondContact O-CB 3.41Å; Q655-Q659 PolarHBondContact O-N 2.87Å
656	L	82.4	Confident	78.6	Confident	72 Å²	72	49.9 Å²	49.9	38%	0.377	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-40.3	176.9	-171.3	70.4	0	0	0	111.6	A652 G653 N654 Q659 R660	A652-L656 PolarHBondContact O-N 3.27Å; A652-L656 VanDerWaalsContact O-N 3.12Å; G653-L656 PolarHBondContact O-N 3.37Å; N654-L656 VanDerWaalsContact C-N 3.31Å; N654-L656 PolarHBondContact O-N 3.34Å; L656-Q659 PolarHBondContact O-N 2.66Å; L656-R660 WeakPolarHBondContact O-CG 3.39Å; L656-R660 PolarHBondContact O-N 3.39Å
657	R	82.3	Confident	78.2	Confident	93 Å²	93	54 Å²	54	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-47.9	175.3	-69.9	-174.9	-176.5	-176.9	13	111.7	D600 G653 N654 Q655 Q659 R660 L661	D600-R657 IonicContact OD1-NH1 2.81Å; D600-R657 IonicContact OD2-CZ 2.96Å; D600-R657 VanDerWaalsContact OD2-CZ 3.24Å; D600-R657 IonicContact OD2-NH1 3.17Å; D600-R657 PolarHBondContact OD2-NH1 2.64Å; D600-R657 IonicContact OD2-NH2 3.87Å; D600-R657 PolarHBondContact OD2-NH2 3.11Å; G653-R657 PolarHBondContact O-N 2.96Å; N654-R657 WeakPolarHBondContact O-CB 3.12Å; N654-R657 PolarHBondContact O-N 3.05Å; N654-R657 VanDerWaalsContact O-N 3.15Å; Q655-R657 VanDerWaalsContact C-N 3.34Å; Q655-R657 PolarHBondContact O-N 2.9Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.48Å; R657-R660 PolarHBondContact O-N 3.29Å; R657-L661 WeakPolarHBondContact O-CG 3.42Å; R657-L661 PolarHBondContact O-N 2.85Å
658	V	82.6	Confident	77.8	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-41.3	177.1	178.3	0	0	0	0	111	L630 T647 L650 N654 Q655 R660 L661 L662	L630-V658 HydrophobicContact CD2-CB 4.44Å; L630-V658 HydrophobicContact CD2-CG1 4.09Å; L630-V658 HydrophobicContact CD2-CG2 3.49Å; L630-V658 VanDerWaalsContact CD2-CG2 3.49Å; T647-V658 HydrophobicContact CG2-CB 4.33Å; T647-V658 HydrophobicContact CG2-CG1 3.74Å; L650-V658 HydrophobicContact CD1-CG2 3.88Å; N654-V658 WeakPolarHBondContact O-CG2 3.4Å; N654-V658 PolarHBondContact O-N 3.43Å; Q655-V658 PolarHBondContact O-N 2.92Å; V658-R660 PolarHBondContact O-N 3.16Å; V658-L661 WeakPolarHBondContact O-CB 3.31Å; V658-L661 PolarHBondContact O-N 3.33Å; V658-L662 HydrophobicContact CG1-CD1 4.1Å; V658-L662 HydrophobicContact CG1-CG 4.3Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 2.97Å
659	Q	83.3	Confident	77.3	Confident	29 Å²	29	56 Å²	56	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-45.2	176.7	-168.5	-177.5	31.1	0	0	112	Q655 L656 R657 L661 L662 Y663 L682	Q655-Q659 WeakPolarHBondContact O-CB 3.41Å; Q655-Q659 PolarHBondContact O-N 2.87Å; L656-Q659 PolarHBondContact O-N 2.66Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.48Å; Q659-L661 VanDerWaalsContact C-N 3.3Å; Q659-L661 PolarHBondContact O-N 3.13Å; Q659-L662 PolarHBondContact O-N 3.3Å; Q659-Y663 HydrophobicContact CG-CD2 3.94Å; Q659-Y663 HydrophobicContact CG-CE2 4.32Å; Q659-Y663 WeakPolarHBondContact O-CD2 3.21Å; Q659-Y663 PolarHBondContact O-N 2.95Å; Q659-Y663 VanDerWaalsContact O-N 3.08Å; Q659-L682 HydrophobicContact CB-CD2 4.2Å; Q659-L682 HydrophobicContact CG-CD2 3.92Å
660	R	83.5	Confident	77.2	Confident	131 Å²	131	56.4 Å²	56.4	49%	0.494	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-39.1	174.6	-68.9	-174.9	177.9	157.8	-0	111.6	L656 R657 V658 E664 S665	L656-R660 WeakPolarHBondContact O-CG 3.39Å; L656-R660 PolarHBondContact O-N 3.39Å; R657-R660 PolarHBondContact O-N 3.29Å; V658-R660 PolarHBondContact O-N 3.16Å; R660-E664 VanDerWaalsContact CG-OE2 3.32Å; R660-E664 WeakPolarHBondContact CG-OE2 3.29Å; R660-E664 WeakPolarHBondContact O-CA 3.23Å; R660-E664 VanDerWaalsContact O-CB 3.27Å; R660-E664 WeakPolarHBondContact O-CB 3.23Å; R660-E664 PolarHBondContact O-N 3.48Å; R660-S665 PolarHBondContact O-N 3.03Å
661	L	81.9	Confident	77.7	Confident	22 Å²	22	56.7 Å²	56.7	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-48	174.4	-80.6	157	0	0	0	111.9	E595 R657 V658 Q659 Y663 S665 W668	E595-L661 VanDerWaalsContact C-CD1 3.44Å; E595-L661 HydrophobicContact CB-CD1 3.76Å; E595-L661 HydrophobicContact CB-CD2 4.01Å; E595-L661 HydrophobicContact CG-CD2 3.96Å; E595-L661 WeakPolarHBondContact O-CD1 3.3Å; R657-L661 WeakPolarHBondContact O-CG 3.42Å; R657-L661 PolarHBondContact O-N 2.85Å; V658-L661 WeakPolarHBondContact O-CB 3.31Å; V658-L661 PolarHBondContact O-N 3.33Å; Q659-L661 VanDerWaalsContact C-N 3.3Å; Q659-L661 PolarHBondContact O-N 3.13Å; L661-Y663 PolarHBondContact O-N 3.16Å; L661-S665 WeakPolarHBondContact O-CB 3.34Å; L661-W668 HydrophobicContact CB-CZ2 4.36Å; L661-W668 VanDerWaalsContact O-CG 3.3Å; L661-W668 PolarHBondContact O-NE1 3.47Å
662	L	82.2	Confident	78.3	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-34.4	-177	-68.1	178.2	0	0	0	114	L643 V658 Q659 W668 V673	L643-L662 HydrophobicContact CD1-CD1 3.84Å; L643-L662 HydrophobicContact CD1-CD2 3.88Å; L643-L662 HydrophobicContact CD1-CG 4.43Å; V658-L662 HydrophobicContact CG1-CD1 4.1Å; V658-L662 HydrophobicContact CG1-CG 4.3Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 2.97Å; Q659-L662 PolarHBondContact O-N 3.3Å; L662-W668 HydrophobicContact CD2-CE3 4.04Å; L662-W668 HydrophobicContact CD2-CH2 3.42Å; L662-W668 VanDerWaalsContact CD2-CH2 3.42Å; L662-W668 HydrophobicContact CD2-CZ2 4.17Å; L662-W668 HydrophobicContact CD2-CZ3 3.38Å; L662-V673 HydrophobicContact CD2-CG1 4.12Å
663	Y	81.9	Confident	79	Confident	43 Å²	43	49 Å²	49	17%	0.169	27%	0.265	C	S	.	.	H	α-helix	trans	-114.3	-23.9	-168.6	-67.8	-72.3	0	0	0	115.1	V510 Q659 L661 L682 R685 A686	V510-Y663 HydrophobicContact CB-CE1 3.86Å; V510-Y663 HydrophobicContact CG1-CE1 4.06Å; V510-Y663 HydrophobicContact CG2-CD1 4.19Å; V510-Y663 HydrophobicContact CG2-CE1 3.85Å; Q659-Y663 HydrophobicContact CG-CD2 3.94Å; Q659-Y663 HydrophobicContact CG-CE2 4.32Å; Q659-Y663 WeakPolarHBondContact O-CD2 3.21Å; Q659-Y663 PolarHBondContact O-N 2.95Å; Q659-Y663 VanDerWaalsContact O-N 3.08Å; L661-Y663 PolarHBondContact O-N 3.16Å; Y663-L682 PolarHBondContact OH-O 3.02Å; Y663-R685 HydrophobicContact CE1-CB 4.1Å; Y663-R685 WeakPolarHBondContact CE1-O 3.48Å; Y663-R685 HydrophobicContact CE2-CB 4.04Å; Y663-A686 WeakPolarHBondContact OH-CA 3.4Å; Y663-A686 PolarHBondContact OH-N 3.43Å
664	E	78.1	Confident	79.9	Confident	111 Å²	111	47 Å²	47	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-115.1	-17.2	-170.5	-60	169.9	-162.6	0	0	113	R660 R685	R660-E664 VanDerWaalsContact CG-OE2 3.32Å; R660-E664 WeakPolarHBondContact CG-OE2 3.29Å; R660-E664 WeakPolarHBondContact O-CA 3.23Å; R660-E664 VanDerWaalsContact O-CB 3.27Å; R660-E664 WeakPolarHBondContact O-CB 3.23Å; R660-E664 PolarHBondContact O-N 3.48Å; E664-R685 IonicContact OE1-NH2 3.26Å; E664-R685 PolarHBondContact OE1-NH2 3.49Å
665	S	73.6	Confident	80.6	Confident	32 Å²	32	46.1 Å²	46.1	22%	0.224	24%	0.24	C	C	.	.			trans	-81.1	129.4	-177.1	172.8	0	0	0	0	112.6	R660 L661 E667 W668	R660-S665 PolarHBondContact O-N 3.03Å; L661-S665 WeakPolarHBondContact O-CB 3.34Å; S665-E667 PolarHBondContact O-N 2.95Å; S665-W668 VanDerWaalsContact CB-CD1 3.42Å; S665-W668 WeakPolarHBondContact O-CB 3.41Å; S665-W668 PolarHBondContact O-N 3.33Å; S665-W668 VanDerWaalsContact O-N 3.11Å
666	P	66.6	Low	81.2	Confident	114 Å²	114	43.7 Å²	43.7	74%	0.74	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-65.2	-22.3	-176.5	23.6	-31.9	0	0	0	113.7	W668 A669	P666-W668 PolarHBondContact O-N 3.48Å; P666-A669 PolarHBondContact O-N 3.3Å
667	E	67.1	Low	81.4	Confident	91 Å²	91	40.3 Å²	40.3	43%	0.425	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64.4	-21.4	175.7	-62.7	-160.5	163.9	0	0	113.2	S665 S670 R671	S665-E667 PolarHBondContact O-N 2.95Å; E667-S670 PolarHBondContact O-OG 2.71Å; E667-R671 IonicContact OE2-NH2 3.07Å; E667-R671 PolarHBondContact OE2-NH2 3.19Å; E667-R671 VanDerWaalsContact OE2-NH2 3.07Å
668	W	66.6	Low	81.3	Confident	13 Å²	13	40.6 Å²	40.6	5%	0.049	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-86.7	-11.4	-175	-66.7	75.4	0	0	0	113.8	L634 L641 L661 L662 S665 P666 S670 R671 V673	L634-W668 HydrophobicContact CD2-CH2 3.95Å; L634-W668 HydrophobicContact CD2-CZ2 3.7Å; L641-W668 HydrophobicContact CB-CZ3 4.4Å; L641-W668 HydrophobicContact CD2-CH2 3.22Å; L641-W668 HydrophobicContact CD2-CZ2 4.47Å; L641-W668 HydrophobicContact CD2-CZ3 3.44Å; L641-W668 VanDerWaalsContact CD2-CZ3 3.44Å; L661-W668 HydrophobicContact CB-CZ2 4.36Å; L661-W668 VanDerWaalsContact O-CG 3.3Å; L661-W668 PolarHBondContact O-NE1 3.47Å; L662-W668 HydrophobicContact CD2-CE3 4.04Å; L662-W668 HydrophobicContact CD2-CH2 3.42Å; L662-W668 VanDerWaalsContact CD2-CH2 3.42Å; L662-W668 HydrophobicContact CD2-CZ2 4.17Å; L662-W668 HydrophobicContact CD2-CZ3 3.38Å; S665-W668 VanDerWaalsContact CB-CD1 3.42Å; S665-W668 WeakPolarHBondContact O-CB 3.41Å; S665-W668 PolarHBondContact O-N 3.33Å; S665-W668 VanDerWaalsContact O-N 3.11Å; P666-W668 PolarHBondContact O-N 3.48Å; W668-S670 PolarHBondContact O-N 3.47Å; W668-R671 HydrophobicContact CE3-CB 4.28Å; W668-R671 PolarHBondContact O-N 3.48Å; W668-V673 HydrophobicContact CE3-CG2 3.55Å; W668-V673 HydrophobicContact CZ3-CG2 3.51Å
669	A	64.5	Low	81.1	Confident	80 Å²	80	42.3 Å²	42.3	66%	0.661	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-58.8	-17	173.5	0	0	0	0	0	113.1	G508 P666	G508-A669 VanDerWaalsContact CA-O 3.24Å; G508-A669 WeakPolarHBondContact CA-O 3.33Å; P666-A669 PolarHBondContact O-N 3.3Å
670	S	73.3	Confident	80.9	Confident	57 Å²	57	43.1 Å²	43.1	40%	0.399	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-111.8	5.4	179.2	73.4	0	0	0	0	115	R639 E667 W668	R639-S670 PolarHBondContact NH1-OG 3.24Å; E667-S670 PolarHBondContact O-OG 2.71Å; W668-S670 PolarHBondContact O-N 3.47Å
671	R	87.7	Confident	80.8	Confident	15 Å²	15	40.2 Å²	40.2	6%	0.057	23%	0.228	C	C	.	.			trans	-109.5	141.9	-178.1	-59.7	-176.2	-172	165.9	7.1	110.8	G508 P638 E667 W668	G508-R671 VanDerWaalsContact CA-O 3.25Å; G508-R671 WeakPolarHBondContact CA-O 3.34Å; G508-R671 PolarHBondContact N-O 3.3Å; P638-R671 WeakPolarHBondContact O-CD 3.37Å; E667-R671 IonicContact OE2-NH2 3.07Å; E667-R671 PolarHBondContact OE2-NH2 3.19Å; E667-R671 VanDerWaalsContact OE2-NH2 3.07Å; W668-R671 HydrophobicContact CE3-CB 4.28Å; W668-R671 PolarHBondContact O-N 3.48Å
672	T	92.9	Very high	80.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.9	168.4	-57.4	0	0	0	0	108	G478 L505 P507 R639 L640 L641	G478-T672 WeakPolarHBondContact O-CB 3.38Å; G478-T672 PolarHBondContact O-OG1 3.18Å; L505-T672 HydrophobicContact CB-CG2 3.58Å; L505-T672 HydrophobicContact CD1-CG2 4.47Å; P507-T672 VanDerWaalsContact CA-OG1 3.27Å; P507-T672 WeakPolarHBondContact CA-OG1 3.41Å; R639-T672 PolarHBondContact O-N 2.94Å; L640-T672 WeakPolarHBondContact CA-O 3.29Å; L640-T672 HydrophobicContact CD1-CG2 3.58Å; L641-T672 PolarHBondContact N-O 3.38Å
673	V	93.2	Very high	80.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.6	179.8	-174.2	0	0	0	0	109.9	K509 V510 T511 L641 L662 W668	K509-V673 PolarHBondContact O-N 3.14Å; V510-V673 HydrophobicContact CB-CB 4.41Å; V510-V673 HydrophobicContact CG1-CB 4.26Å; V510-V673 HydrophobicContact CG1-CG1 4.21Å; V510-V673 HydrophobicContact CG2-CB 4.13Å; V510-V673 HydrophobicContact CG2-CG2 4.32Å; T511-V673 PolarHBondContact N-O 3.03Å; L641-V673 WeakPolarHBondContact O-CA 3.48Å; L662-V673 HydrophobicContact CD2-CG1 4.12Å; W668-V673 HydrophobicContact CE3-CG2 3.55Å; W668-V673 HydrophobicContact CZ3-CG2 3.51Å
674	L	94.9	Very high	81.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	112.9	165.4	-179.5	67.4	0	0	0	108.7	L505 T511 L513 V524 L528 L641 I642 L643	L505-L674 HydrophobicContact CD1-CB 4.24Å; L505-L674 HydrophobicContact CD1-CD1 4.46Å; L505-L674 HydrophobicContact CD2-CD1 4.15Å; T511-L674 WeakPolarHBondContact O-CA 3.24Å; L513-L674 HydrophobicContact CB-CD1 4.01Å; V524-L674 HydrophobicContact CG1-CD2 4.19Å; L528-L674 HydrophobicContact CD1-CD2 3.35Å; L641-L674 PolarHBondContact O-N 2.98Å; I642-L674 WeakPolarHBondContact CA-O 3.44Å; I642-L674 HydrophobicContact CG1-CB 4.48Å; I642-L674 HydrophobicContact CG2-CD2 4.32Å; L643-L674 PolarHBondContact N-O 3.35Å
675	L	93.3	Very high	81.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.3	177.2	178	66	0	0	0	109.4	V510 T511 A512 L513 L643 T677 L682	V510-L675 HydrophobicContact CG1-CB 4.4Å; T511-L675 PolarHBondContact O-N 3.48Å; A512-L675 CarbonylContact C-O 3.58Å; A512-L675 WeakPolarHBondContact CA-O 3.27Å; L513-L675 PolarHBondContact N-O 3.07Å; L643-L675 HydrophobicContact CB-CD1 3.8Å; L643-L675 HydrophobicContact CD1-CD1 4.22Å; L675-T677 HydrophobicContact CD2-CG2 3.96Å; L675-T677 HydrophobicContact CG-CG2 3.96Å; L675-L682 HydrophobicContact CD2-CB 3.94Å
676	I	93.1	Very high	82.4	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.4	166.9	-55	164.9	0	0	0	106.1	L513 K521 A525 L643 D644 D645	L513-I676 HydrophobicContact CB-CG1 4.12Å; L513-I676 HydrophobicContact CD2-CD1 4.47Å; L513-I676 HydrophobicContact CD2-CG1 4.1Å; K521-I676 HydrophobicContact CB-CD1 4.29Å; K521-I676 HydrophobicContact CB-CG1 4.48Å; K521-I676 HydrophobicContact CB-CG2 3.7Å; K521-I676 HydrophobicContact CD-CG2 3.87Å; K521-I676 HydrophobicContact CG-CG2 4.34Å; K521-I676 WeakPolarHBondContact O-CD1 3.32Å; A525-I676 HydrophobicContact CB-CD1 3.86Å; L643-I676 PolarHBondContact O-N 3.42Å; D644-I676 HydrophobicContact CB-CD1 4.14Å; D644-I676 WeakPolarHBondContact OD1-CB 3.46Å; D644-I676 VanDerWaalsContact OD1-CG2 3.27Å; D644-I676 WeakPolarHBondContact OD1-CG2 3.18Å; D645-I676 WeakPolarHBondContact CA-O 3.43Å; D645-I676 PolarHBondContact N-O 3.08Å
677	T	86.1	Confident	83.6	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.207	C	C	.	.			trans	-147.4	147.8	-176.7	-172.3	0	0	0	0	111	V514 L675 Q679 L682 A683	V514-T677 WeakPolarHBondContact CG1-O 3.33Å; L675-T677 HydrophobicContact CD2-CG2 3.96Å; L675-T677 HydrophobicContact CG-CG2 3.96Å; T677-Q679 WeakPolarHBondContact OG1-CB 3.28Å; T677-Q679 PolarHBondContact OG1-N 2.87Å; T677-L682 HydrophobicContact CG2-CB 4.28Å; T677-A683 HydrophobicContact CG2-CB 4.07Å
678	Q	79.9	Confident	84.8	Confident	99 Å²	99	36.4 Å²	36.4	46%	0.463	20%	0.195	S	C	.	.	S	Bend	trans	-96.2	-7.9	165.3	-56.8	-169.9	7	0	0	111.8	N517 L680	N517-Q678 PolarHBondContact OD1-NE2 3.43Å; Q678-L680 PolarHBondContact O-N 3.01Å
679	Q	78.8	Confident	86.2	Confident	40 Å²	40	35.8 Å²	35.8	19%	0.187	19%	0.193	C	C	.	.			trans	-79.7	113.2	-179	-61.8	-177.7	-38.1	0	0	110.1	T647 T677 S681 L682 A683	T647-Q679 PolarHBondContact OG1-OE1 2.96Å; T647-Q679 VanDerWaalsContact OG1-OE1 3.1Å; T677-Q679 WeakPolarHBondContact OG1-CB 3.28Å; T677-Q679 PolarHBondContact OG1-N 2.87Å; Q679-S681 VanDerWaalsContact C-N 3.32Å; Q679-S681 PolarHBondContact O-N 2.98Å; Q679-L682 HydrophobicContact CB-CD1 4.37Å; Q679-L682 HydrophobicContact CB-CG 4.46Å; Q679-L682 PolarHBondContact O-N 3.09Å; Q679-A683 PolarHBondContact O-N 3.41Å
680	L	79.2	Confident	87.6	Confident	46 Å²	46	32 Å²	32	24%	0.241	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-44	-178.2	-175.1	66.2	0	0	0	112.1	Q678 L682 A683 E684 V717	Q678-L680 PolarHBondContact O-N 3.01Å; L680-L682 PolarHBondContact O-N 3.47Å; L680-A683 PolarHBondContact O-N 3.4Å; L680-A683 VanDerWaalsContact O-N 3.07Å; L680-E684 HydrophobicContact CD1-CG 4.14Å; L680-E684 WeakPolarHBondContact CD2-OE1 3.35Å; L680-E684 HydrophobicContact CG-CG 4.03Å; L680-E684 VanDerWaalsContact CG-OE1 3.29Å; L680-E684 WeakPolarHBondContact CG-OE1 3.45Å; L680-E684 WeakPolarHBondContact O-CB 3.41Å; L680-E684 VanDerWaalsContact O-CG 3.28Å; L680-E684 WeakPolarHBondContact O-CG 3.48Å; L680-E684 PolarHBondContact O-N 2.92Å; L680-V717 HydrophobicContact CD1-CB 4.3Å; L680-V717 HydrophobicContact CD1-CG1 4.01Å; L680-V717 HydrophobicContact CD1-CG2 3.57Å; L680-V717 HydrophobicContact CD2-CG1 3.83Å
681	S	81.1	Confident	88.5	Confident	69 Å²	69	29.8 Å²	29.8	48%	0.483	14%	0.144	S	C	.	.	H	α-helix	trans	-59.5	-30	-178.2	57.4	0	0	0	0	114.4	Q679	Q679-S681 VanDerWaalsContact C-N 3.32Å; Q679-S681 PolarHBondContact O-N 2.98Å
682	L	82.3	Confident	88.8	Confident	10 Å²	10	29.1 Å²	29.1	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-84.4	-35.9	175.6	-69.3	179.7	0	0	0	112.2	T647 Q659 Y663 L675 T677 Q679 L680	T647-L682 HydrophobicContact CG2-CD1 4.39Å; T647-L682 WeakPolarHBondContact OG1-CD1 3.43Å; Q659-L682 HydrophobicContact CB-CD2 4.2Å; Q659-L682 HydrophobicContact CG-CD2 3.92Å; Y663-L682 PolarHBondContact OH-O 3.02Å; L675-L682 HydrophobicContact CD2-CB 3.94Å; T677-L682 HydrophobicContact CG2-CB 4.28Å; Q679-L682 HydrophobicContact CB-CD1 4.37Å; Q679-L682 HydrophobicContact CB-CG 4.46Å; Q679-L682 PolarHBondContact O-N 3.09Å; L680-L682 PolarHBondContact O-N 3.47Å
683	A	85.7	Confident	88.6	Confident	2 Å²	2	33.1 Å²	33.1	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-68.2	-38.8	176.5	0	0	0	0	0	112	A512 V514 T677 Q679 L680 R685 A686 I689	A512-A683 HydrophobicContact CB-CB 4.31Å; V514-A683 HydrophobicContact CG2-CB 4.37Å; T677-A683 HydrophobicContact CG2-CB 4.07Å; Q679-A683 PolarHBondContact O-N 3.41Å; L680-A683 PolarHBondContact O-N 3.4Å; L680-A683 VanDerWaalsContact O-N 3.07Å; A683-R685 VanDerWaalsContact C-N 3.32Å; A683-R685 PolarHBondContact O-N 3.32Å; A683-A686 VanDerWaalsContact O-CB 3.23Å; A683-A686 WeakPolarHBondContact O-CB 3.46Å; A683-A686 PolarHBondContact O-N 3.38Å; A683-A686 VanDerWaalsContact O-N 3.12Å; A683-I689 VanDerWaalsContact O-CD1 3.27Å; A683-I689 WeakPolarHBondContact O-CD1 3.33Å
684	E	87.2	Confident	88.4	Confident	79 Å²	79	40 Å²	40	37%	0.369	19%	0.191	S	C	.	.	H	α-helix	trans	-59.4	-38.2	179.6	-78.8	177.9	174.2	0	0	113.3	L680 A686 H703	L680-E684 HydrophobicContact CD1-CG 4.14Å; L680-E684 WeakPolarHBondContact CD2-OE1 3.35Å; L680-E684 HydrophobicContact CG-CG 4.03Å; L680-E684 VanDerWaalsContact CG-OE1 3.29Å; L680-E684 WeakPolarHBondContact CG-OE1 3.45Å; L680-E684 WeakPolarHBondContact O-CB 3.41Å; L680-E684 VanDerWaalsContact O-CG 3.28Å; L680-E684 WeakPolarHBondContact O-CG 3.48Å; L680-E684 PolarHBondContact O-N 2.92Å; E684-A686 VanDerWaalsContact C-N 3.28Å; E684-A686 PolarHBondContact O-N 3.07Å; E684-H703 IonicContact OE1-CE1 3.84Å
685	R	87.1	Confident	88	Confident	106 Å²	106	40 Å²	40	40%	0.4	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.3	179.1	-67.9	-178.1	75.5	173.5	-0.6	113.5	Y663 E664 A683	Y663-R685 HydrophobicContact CE1-CB 4.1Å; Y663-R685 WeakPolarHBondContact CE1-O 3.48Å; Y663-R685 HydrophobicContact CE2-CB 4.04Å; E664-R685 IonicContact OE1-NH2 3.26Å; E664-R685 PolarHBondContact OE1-NH2 3.49Å; A683-R685 VanDerWaalsContact C-N 3.32Å; A683-R685 PolarHBondContact O-N 3.32Å
686	A	89.8	Confident	87.9	Confident	7 Å²	7	42.1 Å²	42.1	6%	0.058	21%	0.206	C	C	.	.			trans	-67.1	143.2	-177.6	0	0	0	0	0	111.5	A512 Y663 A683 E684 H688 I689	A512-A686 HydrophobicContact CB-CB 3.54Å; Y663-A686 WeakPolarHBondContact OH-CA 3.4Å; Y663-A686 PolarHBondContact OH-N 3.43Å; A683-A686 VanDerWaalsContact O-CB 3.23Å; A683-A686 WeakPolarHBondContact O-CB 3.46Å; A683-A686 PolarHBondContact O-N 3.38Å; A683-A686 VanDerWaalsContact O-N 3.12Å; E684-A686 VanDerWaalsContact C-N 3.28Å; E684-A686 PolarHBondContact O-N 3.07Å; A686-H688 PolarHBondContact O-N 2.87Å; A686-I689 HydrophobicContact CB-CG1 4.2Å
687	H	91.6	Very high	87.8	Confident	96 Å²	96	43.7 Å²	43.7	44%	0.444	22%	0.216	S	C	.	.	S	Bend	trans	-69.3	-28	178.7	-60.7	85	0	0	0	111.7	K509 V510	K509-H687 HydrophobicContact CB-CB 4.2Å; K509-H687 HydrophobicContact CD-CB 4.44Å; K509-H687 HydrophobicContact CG-CB 4.45Å; V510-H687 PolarHBondContact N-ND1 3.48Å; V510-H687 PolarHBondContact O-N 3.33Å
688	H	93.4	Very high	88	Confident	40 Å²	40	46.5 Å²	46.5	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	137.5	177.9	-167.5	50.6	0	0	0	109.5	V510 T511 A512 A686	V510-H688 PolarHBondContact O-N 3.45Å; T511-H688 CarbonylContact C-O 3.55Å; T511-H688 VanDerWaalsContact CA-O 3.23Å; T511-H688 WeakPolarHBondContact CA-O 3.45Å; T511-H688 HydrophobicContact CG2-CB 4.22Å; A512-H688 PolarHBondContact N-O 3Å; A686-H688 PolarHBondContact O-N 2.87Å
689	I	94.7	Very high	88.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.6	178.7	-57.6	-179.9	0	0	0	108	A512 V514 A683 A686 Q700 G701 H703 L706 Y713	A512-I689 HydrophobicContact CB-CG1 4.39Å; A512-I689 CarbonylContact O-C 3.56Å; A512-I689 WeakPolarHBondContact O-CA 3.43Å; V514-I689 HydrophobicContact CG2-CG2 3.65Å; A683-I689 VanDerWaalsContact O-CD1 3.27Å; A683-I689 WeakPolarHBondContact O-CD1 3.33Å; A686-I689 HydrophobicContact CB-CG1 4.2Å; I689-Q700 VanDerWaalsContact O-CA 3.25Å; I689-Q700 WeakPolarHBondContact O-CA 3.48Å; I689-G701 PolarHBondContact N-O 2.95Å; I689-G701 PolarHBondContact O-N 3.45Å; I689-G701 VanDerWaalsContact O-N 3.14Å; I689-H703 HydrophobicContact CD1-CB 3.88Å; I689-L706 HydrophobicContact CB-CD1 3.76Å; I689-L706 HydrophobicContact CG2-CD1 3.76Å; I689-Y713 HydrophobicContact CD1-CE2 4.18Å; I689-Y713 WeakPolarHBondContact CD1-OH 3.45Å; I689-Y713 HydrophobicContact CG2-CD2 4.12Å; I689-Y713 HydrophobicContact CG2-CE2 3.82Å
690	L	94.1	Very high	89.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.7	173	-62.6	175.1	0	0	0	108.3	F503 T511 A512 L513 V514 V697 Q700	F503-L690 HydrophobicContact CB-CD1 4.08Å; F503-L690 HydrophobicContact CB-CD2 4.15Å; F503-L690 HydrophobicContact CD1-CD1 4.34Å; F503-L690 HydrophobicContact CD2-CD1 3.44Å; F503-L690 VanDerWaalsContact CD2-CD1 3.44Å; F503-L690 HydrophobicContact CE2-CD1 3.91Å; F503-L690 HydrophobicContact CG-CD1 3.69Å; T511-L690 HydrophobicContact CG2-CD1 3.73Å; T511-L690 HydrophobicContact CG2-CG 3.87Å; A512-L690 PolarHBondContact O-N 3.15Å; L513-L690 WeakPolarHBondContact CA-O 3.34Å; L513-L690 HydrophobicContact CD1-CB 3.71Å; L513-L690 HydrophobicContact CD1-CD1 4.44Å; V514-L690 PolarHBondContact N-O 3.25Å; L690-V697 HydrophobicContact CD2-CG1 4.32Å; L690-Q700 HydrophobicContact CD2-CB 3.67Å
691	F	93	Very high	89.8	Confident	10 Å²	10	43.6 Å²	43.6	4%	0.044	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.5	174.5	-169.8	-90.6	0	0	0	110.3	V514 K693 C698 E699 C712 Y713 M716	V514-F691 CarbonylContact O-C 3.15Å; V514-F691 WeakPolarHBondContact O-CA 3.37Å; F691-K693 HydrophobicContact CE1-CB 4.18Å; F691-C698 HydrophobicContact CD1-CB 4.26Å; F691-C698 PolarHBondContact O-N 3.43Å; F691-E699 HydrophobicContact CB-CB 4.12Å; F691-E699 PolarHBondContact N-O 2.93Å; F691-C712 HydrophobicContact CD1-CB 3.81Å; F691-C712 HydrophobicContact CE1-CB 3.36Å; F691-C712 HydrophobicContact CZ-CB 3.84Å; F691-Y713 HydrophobicContact CD2-CD2 4.12Å; F691-M716 HydrophobicContact CD2-SD 4.41Å; F691-M716 HydrophobicContact CE2-CB 4.04Å; F691-M716 HydrophobicContact CE2-CE 4.24Å; F691-M716 HydrophobicContact CE2-CG 4.45Å; F691-M716 HydrophobicContact CE2-SD 3.69Å
692	L	92.6	Very high	90.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.3	-175	-160.9	78.3	0	0	0	110.7	L501 L513 V514 S519 K521 S696 V697	L501-L692 HydrophobicContact CD1-CD1 3.41Å; L501-L692 VanDerWaalsContact CD1-CD1 3.41Å; L513-L692 HydrophobicContact CD1-CB 3.97Å; L513-L692 HydrophobicContact CD1-CD1 4.49Å; L513-L692 HydrophobicContact CD1-CD2 4.48Å; V514-L692 PolarHBondContact O-N 2.94Å; S519-L692 VanDerWaalsContact CB-O 3.26Å; S519-L692 WeakPolarHBondContact CB-O 3.33Å; S519-L692 WeakPolarHBondContact O-CD2 3.4Å; S519-L692 PolarHBondContact OG-O 3.5Å; K521-L692 HydrophobicContact CG-CD2 4.07Å; L692-S696 WeakPolarHBondContact CA-O 3.4Å; L692-S696 WeakPolarHBondContact CD1-O 3.37Å; L692-V697 HydrophobicContact CD1-CG2 4.24Å
693	K	90.6	Very high	90.8	Very high	84 Å²	84	44 Å²	44	37%	0.365	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.1	175.5	-173.7	-177.4	175.2	-176.9	0	109.2	F691 G695 S696 C698	F691-K693 HydrophobicContact CE1-CB 4.18Å; K693-G695 PolarHBondContact O-N 3.03Å; K693-S696 PolarHBondContact N-O 3.22Å; K693-S696 PolarHBondContact O-N 2.86Å; K693-S696 PolarHBondContact O-OG 2.95Å; K693-C698 VanDerWaalsContact CB-SG 3.57Å
694	E	87.6	Confident	91	Very high	147 Å²	147	49.7 Å²	49.7	69%	0.687	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	35.7	177.2	-66.1	166.9	-150.2	0	0	113.7	S696	E694-S696 PolarHBondContact O-N 3.44Å
695	G	86.5	Confident	91.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	5.8	177.1	0	0	0	0	0	116.2	V497 L498 Q499 S519 K693	V497-G695 WeakPolarHBondContact O-CA 3.44Å; L498-G695 WeakPolarHBondContact CA-O 3.39Å; Q499-G695 PolarHBondContact N-O 3.07Å; S519-G695 WeakPolarHBondContact O-CA 3.38Å; S519-G695 PolarHBondContact O-N 3.07Å; K693-G695 PolarHBondContact O-N 3.03Å
696	S	90.8	Very high	91.4	Very high	43 Å²	43	45.1 Å²	45.1	30%	0.301	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.8	177.9	68.9	0	0	0	0	111.9	L692 K693 E694 C698	L692-S696 WeakPolarHBondContact CA-O 3.4Å; L692-S696 WeakPolarHBondContact CD1-O 3.37Å; K693-S696 PolarHBondContact N-O 3.22Å; K693-S696 PolarHBondContact O-N 2.86Å; K693-S696 PolarHBondContact O-OG 2.95Å; E694-S696 PolarHBondContact O-N 3.44Å; S696-C698 PolarHBondContact O-N 3.47Å
697	V	92.1	Very high	91.4	Very high	36 Å²	36	46.9 Å²	46.9	22%	0.218	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	112	171.8	-177.6	0	0	0	0	108.2	L501 F503 L690 L692 Q700	L501-V697 HydrophobicContact CD1-CG2 3.5Å; L501-V697 HydrophobicContact CG-CG2 4.41Å; F503-V697 HydrophobicContact CD1-CG2 4.27Å; L690-V697 HydrophobicContact CD2-CG1 4.32Å; L692-V697 HydrophobicContact CD1-CG2 4.24Å; V697-Q700 HydrophobicContact CG1-CB 4.35Å
698	C	89.3	Confident	91.4	Very high	60 Å²	60	49.8 Å²	49.8	41%	0.405	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-43.2	175.4	-66.4	0	0	0	0	111.7	F691 K693 S696	F691-C698 HydrophobicContact CD1-CB 4.26Å; F691-C698 PolarHBondContact O-N 3.43Å; K693-C698 VanDerWaalsContact CB-SG 3.57Å; S696-C698 PolarHBondContact O-N 3.47Å
699	E	91.8	Very high	91.2	Very high	29 Å²	29	55.3 Å²	55.3	14%	0.136	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.8	-174.6	-71.2	168.4	-149.6	0	0	110.9	F691 L706 G711 C712 Y713	F691-E699 HydrophobicContact CB-CB 4.12Å; F691-E699 PolarHBondContact N-O 2.93Å; E699-L706 HydrophobicContact CB-CD2 3.8Å; E699-G711 WeakPolarHBondContact OE1-CA 3.47Å; E699-C712 PolarHBondContact OE1-N 2.96Å; E699-Y713 PolarHBondContact OE2-N 2.85Å
700	Q	92.8	Very high	90.6	Very high	90 Å²	90	57.4 Å²	57.4	42%	0.421	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.5	174.7	63.4	-178.4	5.3	0	0	110.7	I689 L690 V697 R709	I689-Q700 VanDerWaalsContact O-CA 3.25Å; I689-Q700 WeakPolarHBondContact O-CA 3.48Å; L690-Q700 HydrophobicContact CD2-CB 3.67Å; V697-Q700 HydrophobicContact CG1-CB 4.35Å; Q700-R709 PolarHBondContact O-NH1 3.48Å; Q700-R709 VanDerWaalsContact O-NH1 3.14Å
701	G	92.3	Very high	90.3	Very high	5 Å²	5	58.2 Å²	58.2	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-166.2	-176.8	0	0	0	0	0	112.9	I689	I689-G701 PolarHBondContact N-O 2.95Å; I689-G701 PolarHBondContact O-N 3.45Å; I689-G701 VanDerWaalsContact O-N 3.14Å
702	T	93	Very high	90	Very high	52 Å²	52	59.8 Å²	59.8	32%	0.319	31%	0.314	S	S	.	.			trans	-85.7	163.7	165.3	64.8	0	0	0	0	110.4	L704 Q705 L706	T702-L704 VanDerWaalsContact C-N 3.32Å; T702-L704 PolarHBondContact O-N 3.29Å; T702-Q705 VanDerWaalsContact N-OE1 3.17Å; T702-Q705 PolarHBondContact O-N 3.09Å; T702-Q705 VanDerWaalsContact OG1-CG 3.28Å; T702-Q705 WeakPolarHBondContact OG1-CG 3.19Å; T702-Q705 PolarHBondContact OG1-N 3Å; T702-L706 WeakPolarHBondContact O-CG 3.2Å; T702-L706 PolarHBondContact O-N 2.98Å
703	H	90.8	Very high	89.8	Confident	36 Å²	36	59.7 Å²	59.7	17%	0.167	31%	0.314	C	S	.	.	H	α-helix	trans	-50.4	-51.1	176.6	174.7	71.4	0	0	0	112.3	E684 I689 Q705 L706 M707 Y713	E684-H703 IonicContact OE1-CE1 3.84Å; I689-H703 HydrophobicContact CD1-CB 3.88Å; H703-Q705 PolarHBondContact O-N 3.2Å; H703-L706 PolarHBondContact O-N 3.46Å; H703-M707 VanDerWaalsContact O-CG 3.31Å; H703-M707 WeakPolarHBondContact O-CG 3.34Å; H703-M707 PolarHBondContact O-N 3.41Å; H703-Y713 AromaticContact ND1-CE1 3.51Å; H703-Y713 AromaticContact ND1-CZ 3.65Å; H703-Y713 PolarHBondContact ND1-OH 3.26Å
704	L	90.8	Very high	89.7	Confident	121 Å²	121	60.4 Å²	60.4	63%	0.634	31%	0.314	S	S	*	.	H	α-helix	trans	-58.9	-46.1	179.5	-64.6	173.2	0	0	0	112.3	T702 L706 M707 E708	T702-L704 VanDerWaalsContact C-N 3.32Å; T702-L704 PolarHBondContact O-N 3.29Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 3.35Å; L704-M707 PolarHBondContact O-N 3.11Å; L704-E708 WeakPolarHBondContact O-CG 3.44Å; L704-E708 PolarHBondContact O-N 3.47Å
705	Q	91.7	Very high	89.6	Confident	89 Å²	89	56.6 Å²	56.6	42%	0.416	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-37.5	179.1	-72.2	172.4	-7.8	0	0	112.5	T702 H703 R709	T702-Q705 VanDerWaalsContact N-OE1 3.17Å; T702-Q705 PolarHBondContact O-N 3.09Å; T702-Q705 VanDerWaalsContact OG1-CG 3.28Å; T702-Q705 WeakPolarHBondContact OG1-CG 3.19Å; T702-Q705 PolarHBondContact OG1-N 3Å; H703-Q705 PolarHBondContact O-N 3.2Å; Q705-R709 VanDerWaalsContact O-CG 3.27Å; Q705-R709 WeakPolarHBondContact O-CG 3.43Å; Q705-R709 PolarHBondContact O-N 2.78Å
706	L	90.4	Very high	89.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-75.2	-35.3	179.8	-66.8	-179.5	0	0	0	112.1	I689 E699 T702 H703 L704 R709 Y713	I689-L706 HydrophobicContact CB-CD1 3.76Å; I689-L706 HydrophobicContact CG2-CD1 3.76Å; E699-L706 HydrophobicContact CB-CD2 3.8Å; T702-L706 WeakPolarHBondContact O-CG 3.2Å; T702-L706 PolarHBondContact O-N 2.98Å; H703-L706 PolarHBondContact O-N 3.46Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 3.35Å; L706-R709 PolarHBondContact O-N 3.38Å; L706-Y713 HydrophobicContact CB-CD1 3.4Å; L706-Y713 VanDerWaalsContact CB-CD1 3.4Å; L706-Y713 HydrophobicContact CB-CE1 4.02Å; L706-Y713 HydrophobicContact CB-CG 3.89Å; L706-Y713 HydrophobicContact CD1-CD1 4.08Å; L706-Y713 HydrophobicContact CD1-CD2 4.15Å; L706-Y713 HydrophobicContact CD1-CE1 4.49Å; L706-Y713 HydrophobicContact CD1-CG 3.87Å; L706-Y713 HydrophobicContact CG-CD1 4.39Å
707	M	90.2	Very high	89.4	Confident	44 Å²	44	56.9 Å²	56.9	22%	0.217	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-38.8	174.6	-69.5	-59.6	-71.9	0	0	112.4	H703 L704 G710 Y713 R714 V717	H703-M707 VanDerWaalsContact O-CG 3.31Å; H703-M707 WeakPolarHBondContact O-CG 3.34Å; H703-M707 PolarHBondContact O-N 3.41Å; L704-M707 PolarHBondContact O-N 3.11Å; M707-G710 PolarHBondContact O-N 3.14Å; M707-Y713 HydrophobicContact CG-CE1 4.22Å; M707-Y713 HydrophobicContact SD-CD1 4.14Å; M707-Y713 HydrophobicContact SD-CE1 3.98Å; M707-R714 HydrophobicContact CE-CG 4.03Å; M707-R714 PolarHBondContact O-NH1 3.14Å; M707-R714 HydrophobicContact SD-CB 4.15Å; M707-R714 HydrophobicContact SD-CG 4.1Å; M707-V717 HydrophobicContact CE-CG1 4.14Å; M707-V717 HydrophobicContact SD-CB 4.13Å; M707-V717 HydrophobicContact SD-CG1 4.2Å; M707-V717 HydrophobicContact SD-CG2 4.06Å
708	E	90.3	Very high	89.1	Confident	157 Å²	157	59.7 Å²	59.7	73%	0.734	31%	0.312	S	S	*	.	H	α-helix	trans	-66.7	-37.2	175.7	-75	174.4	178.4	0	0	112.7	L704 G710	L704-E708 WeakPolarHBondContact O-CG 3.44Å; L704-E708 PolarHBondContact O-N 3.47Å; E708-G710 PolarHBondContact O-N 3.35Å
709	R	89.4	Confident	88.7	Confident	157 Å²	157	60.3 Å²	60.3	59%	0.592	32%	0.321	S	S	*	.	H	α-helix	trans	-65.9	-20.7	179.1	-79.5	175.8	-177.1	175.4	4.9	114	Q700 Q705 L706 G711	Q700-R709 PolarHBondContact O-NH1 3.48Å; Q700-R709 VanDerWaalsContact O-NH1 3.14Å; Q705-R709 VanDerWaalsContact O-CG 3.27Å; Q705-R709 WeakPolarHBondContact O-CG 3.43Å; Q705-R709 PolarHBondContact O-N 2.78Å; L706-R709 PolarHBondContact O-N 3.38Å; R709-G711 VanDerWaalsContact C-N 3.26Å; R709-G711 PolarHBondContact O-N 2.96Å
710	G	82	Confident	87.9	Confident	43 Å²	43	64 Å²	64	44%	0.443	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	23.9	178.3	0	0	0	0	0	114.8	M707 E708	M707-G710 PolarHBondContact O-N 3.14Å; E708-G710 PolarHBondContact O-N 3.35Å
711	G	88.8	Confident	86.7	Confident	18 Å²	18	63.3 Å²	63.3	19%	0.186	35%	0.351	C	S	.	.	S	Bend	trans	-88.3	-160.5	-174.1	0	0	0	0	0	115.2	E699 R709 Y713 R714 S715	E699-G711 WeakPolarHBondContact OE1-CA 3.47Å; R709-G711 VanDerWaalsContact C-N 3.26Å; R709-G711 PolarHBondContact O-N 2.96Å; G711-Y713 VanDerWaalsContact C-N 3.25Å; G711-Y713 PolarHBondContact O-N 3.34Å; G711-R714 PolarHBondContact O-N 2.69Å; G711-R714 VanDerWaalsContact O-N 3.14Å; G711-S715 PolarHBondContact O-N 2.84Å; G711-S715 PolarHBondContact O-OG 3.03Å
712	C	86.4	Confident	85.1	Confident	42 Å²	42	65.8 Å²	65.8	28%	0.284	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-34.7	-179.5	-62.8	0	0	0	0	112.8	F691 E699 S715 M716	F691-C712 HydrophobicContact CD1-CB 3.81Å; F691-C712 HydrophobicContact CE1-CB 3.36Å; F691-C712 HydrophobicContact CZ-CB 3.84Å; E699-C712 PolarHBondContact OE1-N 2.96Å; C712-S715 PolarHBondContact O-N 3.25Å; C712-M716 PolarHBondContact O-N 2.9Å; C712-M716 VanDerWaalsContact O-N 3.13Å
713	Y	88.1	Confident	82.7	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-48.9	176	177.2	-99.6	0	0	0	110.9	V514 I689 F691 E699 H703 L706 M707 G711 S715 M716 V717	V514-Y713 HydrophobicContact CG2-CE2 4.47Å; I689-Y713 HydrophobicContact CD1-CE2 4.18Å; I689-Y713 WeakPolarHBondContact CD1-OH 3.45Å; I689-Y713 HydrophobicContact CG2-CD2 4.12Å; I689-Y713 HydrophobicContact CG2-CE2 3.82Å; F691-Y713 HydrophobicContact CD2-CD2 4.12Å; E699-Y713 PolarHBondContact OE2-N 2.85Å; H703-Y713 AromaticContact ND1-CE1 3.51Å; H703-Y713 AromaticContact ND1-CZ 3.65Å; H703-Y713 PolarHBondContact ND1-OH 3.26Å; L706-Y713 HydrophobicContact CB-CD1 3.4Å; L706-Y713 VanDerWaalsContact CB-CD1 3.4Å; L706-Y713 HydrophobicContact CB-CE1 4.02Å; L706-Y713 HydrophobicContact CB-CG 3.89Å; L706-Y713 HydrophobicContact CD1-CD1 4.08Å; L706-Y713 HydrophobicContact CD1-CD2 4.15Å; L706-Y713 HydrophobicContact CD1-CE1 4.49Å; L706-Y713 HydrophobicContact CD1-CG 3.87Å; L706-Y713 HydrophobicContact CG-CD1 4.39Å; M707-Y713 HydrophobicContact CG-CE1 4.22Å; M707-Y713 HydrophobicContact SD-CD1 4.14Å; M707-Y713 HydrophobicContact SD-CE1 3.98Å; G711-Y713 VanDerWaalsContact C-N 3.25Å; G711-Y713 PolarHBondContact O-N 3.34Å; Y713-S715 VanDerWaalsContact C-N 3.35Å; Y713-S715 PolarHBondContact O-N 3.42Å; Y713-M716 HydrophobicContact CD2-CE 3.94Å; Y713-M716 HydrophobicContact CE2-CE 3.93Å; Y713-M716 WeakPolarHBondContact O-CB 3.21Å; Y713-M716 PolarHBondContact O-N 3.41Å; Y713-M716 VanDerWaalsContact O-N 3.15Å; Y713-V717 HydrophobicContact CD1-CG2 4.12Å; Y713-V717 HydrophobicContact CE1-CG2 3.73Å; Y713-V717 HydrophobicContact CE2-CG2 4.29Å; Y713-V717 WeakPolarHBondContact O-CG2 3.35Å; Y713-V717 PolarHBondContact O-N 2.94Å
714	R	88.6	Confident	80.4	Confident	98 Å²	98	72.6 Å²	72.6	37%	0.37	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-44	178.6	-177.9	-178.4	177.5	154.6	-7.2	111.7	M707 G711 M716 V717 E718	M707-R714 HydrophobicContact CE-CG 4.03Å; M707-R714 PolarHBondContact O-NH1 3.14Å; M707-R714 HydrophobicContact SD-CB 4.15Å; M707-R714 HydrophobicContact SD-CG 4.1Å; G711-R714 PolarHBondContact O-N 2.69Å; G711-R714 VanDerWaalsContact O-N 3.14Å; R714-M716 VanDerWaalsContact C-N 3.26Å; R714-M716 PolarHBondContact O-N 3.15Å; R714-V717 PolarHBondContact O-N 3.37Å; R714-V717 VanDerWaalsContact O-N 3.09Å; R714-E718 HydrophobicContact CG-CG 4.22Å; R714-E718 IonicContact CZ-OE1 3.4Å; R714-E718 IonicContact NE-OE1 2.73Å; R714-E718 PolarHBondContact NE-OE1 3.47Å; R714-E718 IonicContact NH2-OE1 3.16Å; R714-E718 PolarHBondContact NH2-OE1 3.28Å; R714-E718 VanDerWaalsContact NH2-OE1 3.16Å; R714-E718 WeakPolarHBondContact O-CG 3.43Å; R714-E718 PolarHBondContact O-N 3.12Å
715	S	86.8	Confident	77.7	Confident	68 Å²	68	77.6 Å²	77.6	48%	0.476	45%	0.45	S	S	.	.	H	α-helix	trans	-59.3	-37.8	177.1	-54.1	0	0	0	0	112.5	G711 C712 Y713 A719	G711-S715 PolarHBondContact O-N 2.84Å; G711-S715 PolarHBondContact O-OG 3.03Å; C712-S715 PolarHBondContact O-N 3.25Å; Y713-S715 VanDerWaalsContact C-N 3.35Å; Y713-S715 PolarHBondContact O-N 3.42Å; S715-A719 WeakPolarHBondContact O-CB 3.3Å; S715-A719 PolarHBondContact O-N 2.92Å
716	M	86.3	Confident	77	Confident	38 Å²	38	77 Å²	77	19%	0.187	45%	0.451	C	S	.	.	H	α-helix	trans	-66.8	-42.9	173.9	178.2	-164.6	72.5	0	0	111.5	V514 F691 C712 Y713 R714 A719 L720	V514-M716 HydrophobicContact CB-CE 4.15Å; V514-M716 HydrophobicContact CB-SD 4.48Å; V514-M716 HydrophobicContact CG1-CE 3.51Å; V514-M716 HydrophobicContact CG1-SD 3.81Å; F691-M716 HydrophobicContact CD2-SD 4.41Å; F691-M716 HydrophobicContact CE2-CB 4.04Å; F691-M716 HydrophobicContact CE2-CE 4.24Å; F691-M716 HydrophobicContact CE2-CG 4.45Å; F691-M716 HydrophobicContact CE2-SD 3.69Å; C712-M716 PolarHBondContact O-N 2.9Å; C712-M716 VanDerWaalsContact O-N 3.13Å; Y713-M716 HydrophobicContact CD2-CE 3.94Å; Y713-M716 HydrophobicContact CE2-CE 3.93Å; Y713-M716 WeakPolarHBondContact O-CB 3.21Å; Y713-M716 PolarHBondContact O-N 3.41Å; Y713-M716 VanDerWaalsContact O-N 3.15Å; R714-M716 VanDerWaalsContact C-N 3.26Å; R714-M716 PolarHBondContact O-N 3.15Å; M716-A719 PolarHBondContact O-N 3.04Å; M716-L720 HydrophobicContact CG-CD1 3.97Å; M716-L720 WeakPolarHBondContact O-CB 3.44Å; M716-L720 VanDerWaalsContact O-CG 3.3Å; M716-L720 WeakPolarHBondContact O-CG 3.29Å; M716-L720 PolarHBondContact O-N 3.45Å
717	V	86.1	Confident	76.3	Confident	12 Å²	12	81.1 Å²	81.1	7%	0.073	48%	0.475	C	S	.	.	H	α-helix	trans	-61.9	-46.9	177.5	176.7	0	0	0	0	111.1	L680 M707 Y713 R714 L720 A721	L680-V717 HydrophobicContact CD1-CB 4.3Å; L680-V717 HydrophobicContact CD1-CG1 4.01Å; L680-V717 HydrophobicContact CD1-CG2 3.57Å; L680-V717 HydrophobicContact CD2-CG1 3.83Å; M707-V717 HydrophobicContact CE-CG1 4.14Å; M707-V717 HydrophobicContact SD-CB 4.13Å; M707-V717 HydrophobicContact SD-CG1 4.2Å; M707-V717 HydrophobicContact SD-CG2 4.06Å; Y713-V717 HydrophobicContact CD1-CG2 4.12Å; Y713-V717 HydrophobicContact CE1-CG2 3.73Å; Y713-V717 HydrophobicContact CE2-CG2 4.29Å; Y713-V717 WeakPolarHBondContact O-CG2 3.35Å; Y713-V717 PolarHBondContact O-N 2.94Å; R714-V717 PolarHBondContact O-N 3.37Å; R714-V717 VanDerWaalsContact O-N 3.09Å; V717-L720 PolarHBondContact O-N 3.43Å; V717-A721 WeakPolarHBondContact O-CB 3.35Å; V717-A721 PolarHBondContact O-N 2.94Å
718	E	85.5	Confident	75.5	Confident	95 Å²	95	83.1 Å²	83.1	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-39.9	178.7	-71.6	175.9	168.6	0	0	111.8	R714 L720 A721 A722	R714-E718 HydrophobicContact CG-CG 4.22Å; R714-E718 IonicContact CZ-OE1 3.4Å; R714-E718 IonicContact NE-OE1 2.73Å; R714-E718 PolarHBondContact NE-OE1 3.47Å; R714-E718 IonicContact NH2-OE1 3.16Å; R714-E718 PolarHBondContact NH2-OE1 3.28Å; R714-E718 VanDerWaalsContact NH2-OE1 3.16Å; R714-E718 WeakPolarHBondContact O-CG 3.43Å; R714-E718 PolarHBondContact O-N 3.12Å; E718-L720 VanDerWaalsContact C-N 3.33Å; E718-L720 PolarHBondContact O-N 3.27Å; E718-A721 PolarHBondContact O-N 2.93Å; E718-A722 PolarHBondContact O-N 2.84Å
719	A	81.8	Confident	74.6	Confident	73 Å²	73	78.8 Å²	78.8	60%	0.603	48%	0.475	S	S	*	.	H	α-helix	trans	-65.5	-34.3	175.8	0	0	0	0	0	113	S715 M716	S715-A719 WeakPolarHBondContact O-CB 3.3Å; S715-A719 PolarHBondContact O-N 2.92Å; M716-A719 PolarHBondContact O-N 3.04Å
720	L	73.6	Confident	73.7	Confident	106 Å²	106	73.9 Å²	73.9	56%	0.555	47%	0.468	S	S	*	.	H	α-helix	trans	-77.1	-23.2	174.7	-72	167.9	0	0	0	112.9	M716 V717 E718	M716-L720 HydrophobicContact CG-CD1 3.97Å; M716-L720 WeakPolarHBondContact O-CB 3.44Å; M716-L720 VanDerWaalsContact O-CG 3.3Å; M716-L720 WeakPolarHBondContact O-CG 3.29Å; M716-L720 PolarHBondContact O-N 3.45Å; V717-L720 PolarHBondContact O-N 3.43Å; E718-L720 VanDerWaalsContact C-N 3.33Å; E718-L720 PolarHBondContact O-N 3.27Å
721	A	68.6	Low	73.2	Confident	76 Å²	76	75.9 Å²	75.9	63%	0.628	47%	0.469	S	S	*	.	H	α-helix	trans	-88.7	-16.6	177.4	0	0	0	0	0	113.3	V717 E718	V717-A721 WeakPolarHBondContact O-CB 3.35Å; V717-A721 PolarHBondContact O-N 2.94Å; E718-A721 PolarHBondContact O-N 2.93Å
722	A	58	Low	72.1	Confident	57 Å²	57	80.1 Å²	80.1	47%	0.471	49%	0.49	S	S	.	.	S	Bend	trans	-67.9	131	173.9	0	0	0	0	0	109.9	E718 S724	E718-A722 PolarHBondContact O-N 2.84Å; A722-S724 PolarHBondContact O-N 3.27Å
723	P	42.1	Very low	71	Confident	110 Å²	110	83 Å²	83	71%	0.714	51%	0.505	S	S	*	.			trans	-59.4	129.8	174.5	24.7	-31.7	0	0	0	109.1	D725	P723-D725 PolarHBondContact O-N 3.21Å
724	S	42.1	Very low	69.5	Low	121 Å²	121	89.9 Å²	89.9	85%	0.846	55%	0.548	S	S	*	.			trans	-67.1	101.1	167.8	52.7	0	0	0	0	107.9	A722	A722-S724 PolarHBondContact O-N 3.27Å
725	D	35	Very low	67.8	Low	225 Å²	225	89.2 Å²	89.2	100%	1.203	56%	0.564	S	S	*	*			trans	-61.5	0	171.7	-77.7	-23.1	0	0	0	112.4	P723	P723-D725 PolarHBondContact O-N 3.21Å

Retrieved 725 of 725 residues in 684 ms (Link to these results)

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