A0A023IKD8_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 (P36370), UniProt , Accession A0A023IKD8, Species RAT (Rattus norvegicus, Rat), Gene Tap1, Length 725 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	55.6	Low	232 Å²	232	89.5 Å²	89.5	100%	1.143	52%	0.524	S	S	*	.				0	-27.3	0	-78.2	178	162.2	0	0	114.4	A3	M1-A3 PolarHBondContact O-N 3.5Å
2	A	42.9	Very low	56.8	Low	76 Å²	76	91.2 Å²	91.2	63%	0.628	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-73.4	-18.8	-178.5	0	0	0	0	0	116.5	H4	A2-H4 PolarHBondContact O-N 3.4Å
3	A	42.4	Very low	57.8	Low	85 Å²	85	86.2 Å²	86.2	70%	0.702	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-75.5	-19	-173.2	0	0	0	0	0	114.9	M1	M1-A3 PolarHBondContact O-N 3.5Å
4	H	48	Very low	58.5	Low	150 Å²	150	82.9 Å²	82.9	69%	0.694	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-95.5	-8.9	-177	-67.1	-59.1	0	0	0	114.6	A2 P7	A2-H4 PolarHBondContact O-N 3.4Å; H4-P7 WeakPolarHBondContact O-CD 3.48Å; H4-P7 WeakPolarHBondContact O-CG 3.18Å
5	A	56.5	Low	59.4	Low	42 Å²	42	82.3 Å²	82.3	35%	0.347	47%	0.472	S	S	.	.	H	α-helix	trans	-78	-19.9	-176.3	0	0	0	0	0	114	T8 A9 W69	A5-T8 WeakPolarHBondContact CA-OG1 3.35Å; A5-T8 PolarHBondContact O-OG1 2.97Å; A5-A9 WeakPolarHBondContact O-CB 3.26Å; A5-A9 PolarHBondContact O-N 2.91Å; A5-W69 VanDerWaalsContact C-CZ3 3.44Å; A5-W69 HydrophobicContact CB-CH2 3.56Å; A5-W69 HydrophobicContact CB-CZ3 3.86Å
6	W	57.2	Low	60.1	Low	96 Å²	96	80.6 Å²	80.6	36%	0.364	46%	0.463	S	S	.	.	H	α-helix	trans	-68.1	-51.5	-179.6	-175	68.8	0	0	0	113.1	T8 A9 A10 W69	W6-T8 VanDerWaalsContact C-N 3.28Å; W6-T8 PolarHBondContact O-N 3.38Å; W6-A9 PolarHBondContact O-N 3.23Å; W6-A10 WeakPolarHBondContact O-CB 3.5Å; W6-A10 PolarHBondContact O-N 3.43Å; W6-W69 VanDerWaalsContact CA-CZ3 3.4Å; W6-W69 HydrophobicContact CB-CH2 3.9Å; W6-W69 HydrophobicContact CB-CZ3 3.73Å; W6-W69 VanDerWaalsContact N-CH2 3.32Å; W6-W69 VanDerWaalsContact N-CZ3 3.25Å
7	P	59.9	Low	60.7	Low	69 Å²	69	75.9 Å²	75.9	45%	0.448	44%	0.436	S	S	.	.	H	α-helix	trans	-63.9	-35.3	176.5	24.4	-33.8	0	0	0	111.7	H4 L11	H4-P7 WeakPolarHBondContact O-CD 3.48Å; H4-P7 WeakPolarHBondContact O-CG 3.18Å; P7-L11 WeakPolarHBondContact O-CB 3.26Å; P7-L11 PolarHBondContact O-N 3.27Å
8	T	64.6	Low	61.2	Low	82 Å²	82	78.9 Å²	78.9	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-68.3	-42.8	179.5	55.8	0	0	0	0	112.1	A5 W6 L11 L12	A5-T8 WeakPolarHBondContact CA-OG1 3.35Å; A5-T8 PolarHBondContact O-OG1 2.97Å; W6-T8 VanDerWaalsContact C-N 3.28Å; W6-T8 PolarHBondContact O-N 3.38Å; T8-L11 PolarHBondContact O-N 3.48Å; T8-L12 WeakPolarHBondContact O-CB 3.39Å; T8-L12 PolarHBondContact O-N 3.2Å
9	A	64.8	Low	61.7	Low	32 Å²	32	80.4 Å²	80.4	26%	0.264	45%	0.446	S	S	.	.	H	α-helix	trans	-68	-41.4	177.5	0	0	0	0	0	112.2	A5 W6 L12 L13	A5-A9 WeakPolarHBondContact O-CB 3.26Å; A5-A9 PolarHBondContact O-N 2.91Å; W6-A9 PolarHBondContact O-N 3.23Å; A9-L12 PolarHBondContact O-N 2.98Å; A9-L13 WeakPolarHBondContact O-CG 3.48Å; A9-L13 PolarHBondContact O-N 3.37Å
10	A	65.1	Low	62	Low	13 Å²	13	81.8 Å²	81.8	11%	0.107	45%	0.452	C	S	.	.	H	α-helix	trans	-63	-44.5	173.9	0	0	0	0	0	111.2	W6 L12 L13 L14	W6-A10 WeakPolarHBondContact O-CB 3.5Å; W6-A10 PolarHBondContact O-N 3.43Å; A10-L12 PolarHBondContact O-N 3.27Å; A10-L13 PolarHBondContact O-N 3.16Å; A10-L14 WeakPolarHBondContact O-CG 3.31Å; A10-L14 PolarHBondContact O-N 3.38Å
11	L	69	Low	62.3	Low	108 Å²	108	78.6 Å²	78.6	57%	0.565	43%	0.434	S	S	*	.	H	α-helix	trans	-63.8	-40	178	-163.2	109.5	0	0	0	112	P7 T8 L14 L15	P7-L11 WeakPolarHBondContact O-CB 3.26Å; P7-L11 PolarHBondContact O-N 3.27Å; T8-L11 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.32Å; L11-L15 HydrophobicContact CD2-CD1 3.82Å; L11-L15 HydrophobicContact CG-CD1 4.3Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.42Å
12	L	70.1	Confident	63.5	Low	109 Å²	109	71 Å²	71	57%	0.571	39%	0.392	S	S	*	.	H	α-helix	trans	-62.4	-44	174.2	-113	150.8	0	0	0	111.8	T8 A9 A10 L15 V16	T8-L12 WeakPolarHBondContact O-CB 3.39Å; T8-L12 PolarHBondContact O-N 3.2Å; A9-L12 PolarHBondContact O-N 2.98Å; A10-L12 PolarHBondContact O-N 3.27Å; L12-L15 PolarHBondContact O-N 3.13Å; L12-V16 WeakPolarHBondContact O-CB 3.25Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.19Å
13	L	69.3	Low	64.6	Low	27 Å²	27	71.4 Å²	71.4	14%	0.141	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-43.9	175	-76	162.9	0	0	0	111.3	A9 A10 L15 V16 D17 L52 V56 L73	A9-L13 WeakPolarHBondContact O-CG 3.48Å; A9-L13 PolarHBondContact O-N 3.37Å; A10-L13 PolarHBondContact O-N 3.16Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.17Å; L13-V16 PolarHBondContact O-N 2.73Å; L13-D17 WeakPolarHBondContact O-CB 3.45Å; L13-D17 PolarHBondContact O-N 3.46Å; L13-L52 HydrophobicContact CD2-CD2 4.08Å; L13-V56 HydrophobicContact CD1-CG2 3.76Å; L13-V56 HydrophobicContact CD2-CG2 3.73Å; L13-V56 HydrophobicContact CG-CG2 4.4Å; L13-L73 HydrophobicContact CD1-CD2 3.8Å
14	L	67.8	Low	66	Low	40 Å²	40	70.9 Å²	70.9	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-64.1	-37.4	177.1	-64.6	169.3	0	0	0	111.7	A10 L11 W18 L76 L80 Y121	A10-L14 WeakPolarHBondContact O-CG 3.31Å; A10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.32Å; L14-W18 WeakPolarHBondContact O-CB 3.24Å; L14-W18 PolarHBondContact O-N 3.22Å; L14-L76 HydrophobicContact CD2-CD2 4.49Å; L14-L80 HydrophobicContact CD2-CD1 4.12Å; L14-L80 HydrophobicContact CD2-CD2 4.4Å; L14-Y121 HydrophobicContact CB-CE1 4.13Å; L14-Y121 HydrophobicContact CD2-CD1 3.63Å; L14-Y121 HydrophobicContact CD2-CE1 3.21Å; L14-Y121 HydrophobicContact CG-CE1 4.14Å
15	L	72.9	Confident	67.1	Low	74 Å²	74	64.3 Å²	64.3	39%	0.387	35%	0.346	S	S	.	.	H	α-helix	trans	-68.9	-46.9	176.4	-83.1	165	0	0	0	112.3	L11 L12 L13 D17 W18 L19	L11-L15 HydrophobicContact CD2-CD1 3.82Å; L11-L15 HydrophobicContact CG-CD1 4.3Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.13Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.17Å; L15-D17 VanDerWaalsContact C-N 3.26Å; L15-D17 PolarHBondContact O-N 2.7Å; L15-W18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CD2-CD1 4.02Å; L15-L19 VanDerWaalsContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 3.44Å
16	V	70.5	Confident	67.5	Low	55 Å²	55	63.7 Å²	63.7	33%	0.333	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-42.3	175.6	170.1	0	0	0	0	110.1	L12 L13 W18 L20 L21	L12-V16 WeakPolarHBondContact O-CB 3.25Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.19Å; L13-V16 PolarHBondContact O-N 2.73Å; V16-W18 VanDerWaalsContact C-N 3.33Å; V16-W18 PolarHBondContact O-N 2.97Å; V16-L20 HydrophobicContact CG1-CD1 4.28Å; V16-L20 WeakPolarHBondContact O-CB 3.25Å; V16-L20 PolarHBondContact O-N 3.4Å; V16-L21 PolarHBondContact O-N 2.92Å
17	D	69.9	Low	68	Low	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.338	C	S	.	.	I	π-helix	trans	-66.2	-36.1	179.2	-163.6	34	0	0	0	112.9	L13 L15 R22 R48 L52 Y121	L13-D17 WeakPolarHBondContact O-CB 3.45Å; L13-D17 PolarHBondContact O-N 3.46Å; L15-D17 VanDerWaalsContact C-N 3.26Å; L15-D17 PolarHBondContact O-N 2.7Å; D17-R22 PolarHBondContact O-N 2.96Å; D17-R48 IonicContact OD1-CZ 2.67Å; D17-R48 IonicContact OD1-NE 2.76Å; D17-R48 PolarHBondContact OD1-NE 2.9Å; D17-R48 IonicContact OD1-NH2 3.92Å; D17-R48 PolarHBondContact OD1-NH2 2.83Å; D17-R48 IonicContact OD2-CZ 3.15Å; D17-R48 VanDerWaalsContact OD2-CZ 3.31Å; D17-R48 IonicContact OD2-NE 3.44Å; D17-R48 PolarHBondContact OD2-NE 2.89Å; D17-R48 IonicContact OD2-NH2 2.79Å; D17-R48 PolarHBondContact OD2-NH2 2.99Å; D17-L52 HydrophobicContact CB-CD2 4.37Å; D17-Y121 PolarHBondContact OD2-OH 2.8Å; D17-Y121 VanDerWaalsContact OD2-OH 3.11Å
18	W	69.5	Low	68.5	Low	131 Å²	131	61.6 Å²	61.6	50%	0.496	34%	0.338	S	S	.	.	I	π-helix	trans	-81.7	-38	-179.6	-167.1	68.5	0	0	0	114	L14 L15 V16 R22	L14-W18 WeakPolarHBondContact O-CB 3.24Å; L14-W18 PolarHBondContact O-N 3.22Å; L15-W18 PolarHBondContact O-N 3.42Å; V16-W18 VanDerWaalsContact C-N 3.33Å; V16-W18 PolarHBondContact O-N 2.97Å; W18-R22 WeakPolarHBondContact O-CB 3.34Å
19	L	70.5	Confident	68.6	Low	107 Å²	107	59.7 Å²	59.7	56%	0.56	32%	0.323	S	S	*	.	I	π-helix	trans	-88.6	-43.4	-175.8	-77.1	160.1	0	0	0	113.3	L15 P23	L15-L19 HydrophobicContact CD2-CD1 4.02Å; L15-L19 VanDerWaalsContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 3.44Å; L19-P23 WeakPolarHBondContact O-CD 3.43Å; L19-P23 WeakPolarHBondContact O-CG 3.22Å
20	L	67.8	Low	68.6	Low	108 Å²	108	60.6 Å²	60.6	57%	0.565	33%	0.328	S	S	*	.	I	π-helix	trans	-98.1	-51.2	-171.8	-83	154	0	0	0	112.4	V16 P23 V24	V16-L20 HydrophobicContact CG1-CD1 4.28Å; V16-L20 WeakPolarHBondContact O-CB 3.25Å; V16-L20 PolarHBondContact O-N 3.4Å; L20-P23 WeakPolarHBondContact O-CD 3.47Å; L20-V24 WeakPolarHBondContact O-CB 3.49Å; L20-V24 VanDerWaalsContact O-CG2 3.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.32Å; L20-V24 PolarHBondContact O-N 2.84Å
21	L	69.1	Low	68.6	Low	15 Å²	15	67.2 Å²	67.2	8%	0.079	36%	0.36	C	S	.	.	I	π-helix	trans	-76.5	-32.4	-170.5	-71.6	162.3	0	0	0	112.6	V16 L25 R48 I51 L52	V16-L21 PolarHBondContact O-N 2.92Å; L21-L25 HydrophobicContact CB-CD1 4.18Å; L21-L25 HydrophobicContact CD2-CD1 3.47Å; L21-L25 VanDerWaalsContact CD2-CD1 3.47Å; L21-L25 HydrophobicContact CD2-CG 4.02Å; L21-L25 HydrophobicContact CG-CD1 4.43Å; L21-L25 PolarHBondContact O-N 2.85Å; L21-R48 HydrophobicContact CD1-CG 4.36Å; L21-I51 HydrophobicContact CD1-CG2 4.36Å; L21-I51 HydrophobicContact CD2-CB 4.21Å; L21-I51 HydrophobicContact CD2-CD1 3.65Å; L21-I51 HydrophobicContact CD2-CG2 3.97Å; L21-L52 HydrophobicContact CD1-CD1 4.47Å; L21-L52 HydrophobicContact CD1-CD2 3.8Å; L21-L52 HydrophobicContact CD1-CG 3.88Å
22	R	65.3	Low	68.5	Low	72 Å²	72	68 Å²	68	27%	0.272	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-49.6	179.8	-177.8	-177	179.6	-164.6	-1.3	114.1	D17 W18 P26 F117	D17-R22 PolarHBondContact O-N 2.96Å; W18-R22 WeakPolarHBondContact O-CB 3.34Å; R22-P26 VanDerWaalsContact O-CD 3.28Å; R22-P26 WeakPolarHBondContact O-CD 3.41Å; R22-P26 WeakPolarHBondContact O-CG 3.08Å; R22-F117 HydrophobicContact CB-CZ 4.4Å; R22-F117 HydrophobicContact CG-CZ 4.26Å
23	P	67.2	Low	68.2	Low	84 Å²	84	64.3 Å²	64.3	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-83.1	-35.6	179.8	28.5	-33.2	0	0	0	113.7	L19 L20	L19-P23 WeakPolarHBondContact O-CD 3.43Å; L19-P23 WeakPolarHBondContact O-CG 3.22Å; L20-P23 WeakPolarHBondContact O-CD 3.47Å
24	V	70.7	Confident	67.8	Low	75 Å²	75	67.7 Å²	67.7	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-77.9	-46.9	-166.8	176.8	0	0	0	0	112.5	L20 G27 I28	L20-V24 WeakPolarHBondContact O-CB 3.49Å; L20-V24 VanDerWaalsContact O-CG2 3.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.32Å; L20-V24 PolarHBondContact O-N 2.84Å; V24-G27 PolarHBondContact O-N 3.31Å; V24-I28 HydrophobicContact CG1-CD1 3.55Å; V24-I28 HydrophobicContact CG1-CG1 4.29Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.16Å; V24-I28 VanDerWaalsContact O-N 3.12Å
25	L	70.6	Confident	67.4	Low	12 Å²	12	74.3 Å²	74.3	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-64.5	-43.9	-173.5	-76.3	171.9	0	0	0	113.8	L21 G27 I28 F29 V44 S47 R48 I51	L21-L25 HydrophobicContact CB-CD1 4.18Å; L21-L25 HydrophobicContact CD2-CD1 3.47Å; L21-L25 VanDerWaalsContact CD2-CD1 3.47Å; L21-L25 HydrophobicContact CD2-CG 4.02Å; L21-L25 HydrophobicContact CG-CD1 4.43Å; L21-L25 PolarHBondContact O-N 2.85Å; L25-G27 VanDerWaalsContact C-N 3.29Å; L25-G27 PolarHBondContact O-N 3.25Å; L25-I28 PolarHBondContact O-N 2.81Å; L25-F29 HydrophobicContact CD2-CD2 4.47Å; L25-F29 HydrophobicContact CD2-CE2 4.11Å; L25-F29 WeakPolarHBondContact O-CD2 3.36Å; L25-F29 PolarHBondContact O-N 2.93Å; L25-F29 VanDerWaalsContact O-N 3.08Å; L25-V44 HydrophobicContact CB-CG1 4.03Å; L25-V44 HydrophobicContact CB-CG2 4.45Å; L25-V44 HydrophobicContact CD1-CG1 4.49Å; L25-S47 WeakPolarHBondContact CD2-OG 3.28Å; L25-R48 HydrophobicContact CD1-CB 3.93Å; L25-R48 HydrophobicContact CD1-CG 4.39Å; L25-I51 HydrophobicContact CD1-CD1 4.44Å; L25-I51 HydrophobicContact CD2-CD1 4.1Å
26	P	65.2	Low	67.1	Low	28 Å²	28	74.1 Å²	74.1	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-35.4	176.7	-22.3	34.4	0	0	0	112.9	R22 S30	R22-P26 VanDerWaalsContact O-CD 3.28Å; R22-P26 WeakPolarHBondContact O-CD 3.41Å; R22-P26 WeakPolarHBondContact O-CG 3.08Å; P26-S30 VanDerWaalsContact O-CB 3.24Å; P26-S30 WeakPolarHBondContact O-CB 3.42Å; P26-S30 PolarHBondContact O-N 3.41Å
27	G	68.4	Low	66.9	Low	35 Å²	35	74.2 Å²	74.2	36%	0.361	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-48.8	176.6	0	0	0	0	0	111.9	V24 L25 S30	V24-G27 PolarHBondContact O-N 3.31Å; L25-G27 VanDerWaalsContact C-N 3.29Å; L25-G27 PolarHBondContact O-N 3.25Å; G27-S30 PolarHBondContact O-N 3.33Å; G27-S30 PolarHBondContact O-OG 3.13Å
28	I	69.7	Low	66.8	Low	86 Å²	86	76.5 Å²	76.5	44%	0.441	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-48.1	-179.8	-64.1	170.7	0	0	0	111.3	V24 L25 S30 L31 L32	V24-I28 HydrophobicContact CG1-CD1 3.55Å; V24-I28 HydrophobicContact CG1-CG1 4.29Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 3.16Å; V24-I28 VanDerWaalsContact O-N 3.12Å; L25-I28 PolarHBondContact O-N 2.81Å; I28-S30 PolarHBondContact O-N 2.99Å; I28-L31 PolarHBondContact O-N 2.99Å; I28-L32 PolarHBondContact O-N 2.95Å
29	F	67.3	Low	67	Low	42 Å²	42	75 Å²	75	18%	0.184	42%	0.417	C	S	.	.	H	α-helix	trans	-74.7	-13.6	-179.4	-78.1	-72.9	0	0	0	113.7	L25 L31 V33 R40 A43 V44 S47	L25-F29 HydrophobicContact CD2-CD2 4.47Å; L25-F29 HydrophobicContact CD2-CE2 4.11Å; L25-F29 WeakPolarHBondContact O-CD2 3.36Å; L25-F29 PolarHBondContact O-N 2.93Å; L25-F29 VanDerWaalsContact O-N 3.08Å; F29-L31 VanDerWaalsContact C-N 3.3Å; F29-V33 PolarHBondContact O-N 3.4Å; F29-R40 HydrophobicContact CB-CG 3.99Å; F29-R40 PolarHBondContact O-NE 3.46Å; F29-A43 HydrophobicContact CD1-CB 3.64Å; F29-A43 HydrophobicContact CE1-CB 3.55Å; F29-A43 HydrophobicContact CG-CB 4.18Å; F29-A43 HydrophobicContact CZ-CB 4.01Å; F29-V44 HydrophobicContact CB-CG2 3.97Å; F29-V44 HydrophobicContact CD2-CG2 3.75Å; F29-V44 HydrophobicContact CG-CG2 4.12Å; F29-S47 WeakPolarHBondContact CE2-OG 3.44Å
30	S	64.4	Low	67	Low	52 Å²	52	73.4 Å²	73.4	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-69.3	-29.4	169.8	75.9	0	0	0	0	113.5	P26 G27 I28 R40	P26-S30 VanDerWaalsContact O-CB 3.24Å; P26-S30 WeakPolarHBondContact O-CB 3.42Å; P26-S30 PolarHBondContact O-N 3.41Å; G27-S30 PolarHBondContact O-N 3.33Å; G27-S30 PolarHBondContact O-OG 3.13Å; I28-S30 PolarHBondContact O-N 2.99Å; S30-R40 VanDerWaalsContact CA-CZ 3.47Å; S30-R40 PolarHBondContact O-NH2 3.22Å
31	L	66.1	Low	67.2	Low	151 Å²	151	70.3 Å²	70.3	79%	0.791	39%	0.389	S	S	*	.	H	α-helix	trans	-80.8	-37.5	175.7	-103.8	140.7	0	0	0	112.7	I28 F29	I28-L31 PolarHBondContact O-N 2.99Å; F29-L31 VanDerWaalsContact C-N 3.3Å
32	L	66.3	Low	67.5	Low	125 Å²	125	74.7 Å²	74.7	65%	0.654	40%	0.404	S	S	*	.	H	α-helix	trans	-82	-30	-174.1	-106.7	98.7	0	0	0	114.9	I28	I28-L32 PolarHBondContact O-N 2.95Å
33	V	64.2	Low	67.9	Low	31 Å²	31	72.3 Å²	72.3	19%	0.188	40%	0.4	C	S	.	.			trans	-134.1	86.5	-175.1	-172.1	0	0	0	0	109.3	F29 L39 R40	F29-V33 PolarHBondContact O-N 3.4Å; V33-L39 HydrophobicContact CG1-CB 4.46Å; V33-L39 HydrophobicContact CG1-CD2 3.84Å; V33-L39 HydrophobicContact CG2-CD2 4.18Å; V33-R40 PolarHBondContact O-NE 3.46Å; V33-R40 VanDerWaalsContact O-NE 3.17Å; V33-R40 PolarHBondContact O-NH2 2.97Å
34	P	59.8	Low	68.3	Low	99 Å²	99	69.6 Å²	69.6	64%	0.643	38%	0.382	S	S	*	.	S	Bend	trans	-73.1	-31.7	-178	23.3	-29.1	0	0	0	113.6
35	E	59.3	Low	68.4	Low	178 Å²	178	66.1 Å²	66.1	83%	0.832	36%	0.361	S	S	*	.	S	Bend	trans	-102.1	-12.8	-160.4	-59.7	-144.3	155	0	0	117
36	V	67.4	Low	68.7	Low	70 Å²	70	69.5 Å²	69.5	42%	0.424	38%	0.379	S	S	.	.			trans	-127.8	101.4	-175.4	-165.6	0	0	0	0	112.2	L38 L39 R40	V36-L38 PolarHBondContact O-N 2.86Å; V36-L39 HydrophobicContact CB-CB 3.96Å; V36-L39 HydrophobicContact CG1-CB 4.01Å; V36-L39 PolarHBondContact O-N 3.27Å; V36-R40 PolarHBondContact O-N 3.05Å
37	P	66.5	Low	69.3	Low	57 Å²	57	69.2 Å²	69.2	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-33.2	-172.7	22.4	-32.2	0	0	0	114	R40 V41 L108	P37-R40 WeakPolarHBondContact O-CB 3.43Å; P37-R40 PolarHBondContact O-N 3.12Å; P37-V41 WeakPolarHBondContact O-CG2 3.49Å; P37-V41 PolarHBondContact O-N 3.26Å; P37-L108 HydrophobicContact CB-CD2 3.58Å; P37-L108 HydrophobicContact CG-CD2 4.07Å
38	L	68.2	Low	69.5	Low	49 Å²	49	68.1 Å²	68.1	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-41.6	175.9	-86	176.2	0	0	0	112.3	V36 R40 V41 W42 K92	V36-L38 PolarHBondContact O-N 2.86Å; L38-R40 PolarHBondContact O-N 3.33Å; L38-V41 PolarHBondContact O-N 2.82Å; L38-W42 PolarHBondContact O-N 2.92Å; L38-K92 HydrophobicContact CD1-CB 4.44Å; L38-K92 HydrophobicContact CD1-CD 3.25Å; L38-K92 HydrophobicContact CD1-CG 4.45Å; L38-K92 HydrophobicContact CD2-CB 4.4Å; L38-K92 HydrophobicContact CD2-CD 4.14Å; L38-K92 HydrophobicContact CG-CD 3.61Å
39	L	73.1	Confident	69.9	Low	99 Å²	99	70 Å²	70	52%	0.518	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-37.3	-179.7	-154.5	111.5	0	0	0	110	V33 V36 V41 W42 A43	V33-L39 HydrophobicContact CG1-CB 4.46Å; V33-L39 HydrophobicContact CG1-CD2 3.84Å; V33-L39 HydrophobicContact CG2-CD2 4.18Å; V36-L39 HydrophobicContact CB-CB 3.96Å; V36-L39 HydrophobicContact CG1-CB 4.01Å; V36-L39 PolarHBondContact O-N 3.27Å; L39-V41 PolarHBondContact O-N 3.27Å; L39-W42 PolarHBondContact O-N 3.1Å; L39-A43 VanDerWaalsContact O-CB 3.24Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.96Å
40	R	70.2	Confident	70.4	Confident	74 Å²	74	70 Å²	70	28%	0.279	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-43.7	174.2	-160.8	-176.1	-76.2	-176.3	-6.3	112.1	F29 S30 V33 V36 P37 L38 A43 V44	F29-R40 HydrophobicContact CB-CG 3.99Å; F29-R40 PolarHBondContact O-NE 3.46Å; S30-R40 VanDerWaalsContact CA-CZ 3.47Å; S30-R40 PolarHBondContact O-NH2 3.22Å; V33-R40 PolarHBondContact O-NE 3.46Å; V33-R40 VanDerWaalsContact O-NE 3.17Å; V33-R40 PolarHBondContact O-NH2 2.97Å; V36-R40 PolarHBondContact O-N 3.05Å; P37-R40 WeakPolarHBondContact O-CB 3.43Å; P37-R40 PolarHBondContact O-N 3.12Å; L38-R40 PolarHBondContact O-N 3.33Å; R40-A43 PolarHBondContact O-N 2.96Å; R40-V44 WeakPolarHBondContact O-CB 3.49Å; R40-V44 VanDerWaalsContact O-CG2 3.24Å; R40-V44 WeakPolarHBondContact O-CG2 3.47Å; R40-V44 PolarHBondContact O-N 3Å
41	V	71.5	Confident	71	Confident	43 Å²	43	71.3 Å²	71.3	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-68.7	-40.7	179	-176.4	0	0	0	0	111.8	P37 L38 L39 V44 G45 P85 A88	P37-V41 WeakPolarHBondContact O-CG2 3.49Å; P37-V41 PolarHBondContact O-N 3.26Å; L38-V41 PolarHBondContact O-N 2.82Å; L39-V41 PolarHBondContact O-N 3.27Å; V41-V44 PolarHBondContact O-N 3.06Å; V41-G45 PolarHBondContact O-N 2.95Å; V41-P85 HydrophobicContact CG1-CB 4.06Å; V41-A88 HydrophobicContact CB-CB 4.38Å; V41-A88 HydrophobicContact CG1-CB 3.85Å; V41-A88 HydrophobicContact CG2-CB 4.4Å
42	W	76.1	Confident	71.4	Confident	106 Å²	106	64.4 Å²	64.4	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-42.9	174.6	-86.9	98.3	0	0	0	112.6	L38 L39 V44 G45 L46 L82 P85 S89	L38-W42 PolarHBondContact O-N 2.92Å; L39-W42 PolarHBondContact O-N 3.1Å; W42-V44 VanDerWaalsContact C-N 3.33Å; W42-V44 PolarHBondContact O-N 3.18Å; W42-G45 PolarHBondContact O-N 3.02Å; W42-L46 HydrophobicContact CE3-CD1 4.25Å; W42-L46 HydrophobicContact CE3-CG 4.27Å; W42-L46 VanDerWaalsContact O-CB 3.32Å; W42-L46 WeakPolarHBondContact O-CB 3.28Å; W42-L46 WeakPolarHBondContact O-CG 3.42Å; W42-L46 PolarHBondContact O-N 3.02Å; W42-L82 HydrophobicContact CZ3-CD2 4.23Å; W42-P85 HydrophobicContact CD2-CB 3.78Å; W42-P85 HydrophobicContact CE3-CB 4.05Å; W42-P85 HydrophobicContact CE3-CG 4.43Å; W42-P85 HydrophobicContact CG-CB 4.07Å; W42-P85 HydrophobicContact CZ2-CB 4.39Å; W42-P85 HydrophobicContact CZ3-CB 4.47Å; W42-S89 PolarHBondContact NE1-OG 3.05Å
43	A	74.4	Confident	71.8	Confident	23 Å²	23	59.6 Å²	59.6	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-42.1	177.6	0	0	0	0	0	111.4	F29 L39 R40 S47	F29-A43 HydrophobicContact CD1-CB 3.64Å; F29-A43 HydrophobicContact CE1-CB 3.55Å; F29-A43 HydrophobicContact CG-CB 4.18Å; F29-A43 HydrophobicContact CZ-CB 4.01Å; L39-A43 VanDerWaalsContact O-CB 3.24Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.96Å; R40-A43 PolarHBondContact O-N 2.96Å; A43-S47 VanDerWaalsContact O-CB 3.26Å; A43-S47 WeakPolarHBondContact O-CB 3.47Å; A43-S47 PolarHBondContact O-N 3.47Å; A43-S47 PolarHBondContact O-OG 3.19Å
44	V	75.1	Confident	72.4	Confident	26 Å²	26	64 Å²	64	16%	0.158	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-44.6	173.5	171.4	0	0	0	0	111.5	L25 F29 R40 V41 W42 S47 R48	L25-V44 HydrophobicContact CB-CG1 4.03Å; L25-V44 HydrophobicContact CB-CG2 4.45Å; L25-V44 HydrophobicContact CD1-CG1 4.49Å; F29-V44 HydrophobicContact CB-CG2 3.97Å; F29-V44 HydrophobicContact CD2-CG2 3.75Å; F29-V44 HydrophobicContact CG-CG2 4.12Å; R40-V44 WeakPolarHBondContact O-CB 3.49Å; R40-V44 VanDerWaalsContact O-CG2 3.24Å; R40-V44 WeakPolarHBondContact O-CG2 3.47Å; R40-V44 PolarHBondContact O-N 3Å; V41-V44 PolarHBondContact O-N 3.06Å; W42-V44 VanDerWaalsContact C-N 3.33Å; W42-V44 PolarHBondContact O-N 3.18Å; V44-S47 WeakPolarHBondContact CA-OG 3.34Å; V44-S47 PolarHBondContact O-OG 3.16Å; V44-R48 WeakPolarHBondContact O-CB 3.37Å; V44-R48 PolarHBondContact O-N 3.29Å
45	G	73	Confident	72.9	Confident	3 Å²	3	60.9 Å²	60.9	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-69.8	-39.4	-179.2	0	0	0	0	0	114	V41 W42 R48 W49 G81	V41-G45 PolarHBondContact O-N 2.95Å; W42-G45 PolarHBondContact O-N 3.02Å; G45-R48 PolarHBondContact O-N 2.83Å; G45-W49 WeakPolarHBondContact O-CB 3.23Å; G45-W49 PolarHBondContact O-N 2.78Å; G45-G81 CarbonylContact C-O 3.59Å; G45-G81 VanDerWaalsContact CA-O 3.28Å; G45-G81 WeakPolarHBondContact CA-O 3.36Å
46	L	76.8	Confident	73.4	Confident	82 Å²	82	52.8 Å²	52.8	43%	0.429	29%	0.289	S	S	.	.	H	α-helix	trans	-68.2	-42.4	175.6	-76	167.9	0	0	0	111.8	W42 R48 W49 A50	W42-L46 HydrophobicContact CE3-CD1 4.25Å; W42-L46 HydrophobicContact CE3-CG 4.27Å; W42-L46 VanDerWaalsContact O-CB 3.32Å; W42-L46 WeakPolarHBondContact O-CB 3.28Å; W42-L46 WeakPolarHBondContact O-CG 3.42Å; W42-L46 PolarHBondContact O-N 3.02Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-W49 PolarHBondContact O-N 2.89Å; L46-A50 WeakPolarHBondContact O-CB 3.23Å; L46-A50 PolarHBondContact O-N 3.35Å
47	S	77.7	Confident	73.4	Confident	23 Å²	23	57.1 Å²	57.1	16%	0.161	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-40.3	174.1	55.3	0	0	0	0	111.5	L25 F29 A43 V44 A50 I51	L25-S47 WeakPolarHBondContact CD2-OG 3.28Å; F29-S47 WeakPolarHBondContact CE2-OG 3.44Å; A43-S47 VanDerWaalsContact O-CB 3.26Å; A43-S47 WeakPolarHBondContact O-CB 3.47Å; A43-S47 PolarHBondContact O-N 3.47Å; A43-S47 PolarHBondContact O-OG 3.19Å; V44-S47 WeakPolarHBondContact CA-OG 3.34Å; V44-S47 PolarHBondContact O-OG 3.16Å; S47-A50 PolarHBondContact O-N 2.79Å; S47-I51 WeakPolarHBondContact O-CB 3.26Å; S47-I51 WeakPolarHBondContact O-CD1 3.38Å; S47-I51 WeakPolarHBondContact O-CG1 3.42Å; S47-I51 PolarHBondContact O-N 2.79Å
48	R	73	Confident	73.4	Confident	12 Å²	12	56.6 Å²	56.6	5%	0.045	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-44.3	174.3	-166.4	178.5	-172.5	179.3	5.1	112.3	D17 L21 L25 V44 G45 L46 L52 F117	D17-R48 IonicContact OD1-CZ 2.67Å; D17-R48 IonicContact OD1-NE 2.76Å; D17-R48 PolarHBondContact OD1-NE 2.9Å; D17-R48 IonicContact OD1-NH2 3.92Å; D17-R48 PolarHBondContact OD1-NH2 2.83Å; D17-R48 IonicContact OD2-CZ 3.15Å; D17-R48 VanDerWaalsContact OD2-CZ 3.31Å; D17-R48 IonicContact OD2-NE 3.44Å; D17-R48 PolarHBondContact OD2-NE 2.89Å; D17-R48 IonicContact OD2-NH2 2.79Å; D17-R48 PolarHBondContact OD2-NH2 2.99Å; L21-R48 HydrophobicContact CD1-CG 4.36Å; L25-R48 HydrophobicContact CD1-CB 3.93Å; L25-R48 HydrophobicContact CD1-CG 4.39Å; V44-R48 WeakPolarHBondContact O-CB 3.37Å; V44-R48 PolarHBondContact O-N 3.29Å; G45-R48 PolarHBondContact O-N 2.83Å; L46-R48 VanDerWaalsContact C-N 3.34Å; R48-L52 HydrophobicContact CG-CD1 4.14Å; R48-L52 WeakPolarHBondContact O-CB 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.46Å; R48-L52 PolarHBondContact O-N 3.33Å; R48-F117 VanDerWaalsContact NH2-CE1 3.32Å
49	W	77	Confident	73.2	Confident	125 Å²	125	59.4 Å²	59.4	47%	0.473	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-44.1	173.7	179.3	66.8	0	0	0	111.9	G45 L46 G53	G45-W49 WeakPolarHBondContact O-CB 3.23Å; G45-W49 PolarHBondContact O-N 2.78Å; L46-W49 PolarHBondContact O-N 2.89Å; W49-G53 WeakPolarHBondContact O-CA 3.36Å; W49-G53 PolarHBondContact O-N 3.11Å
50	A	78.3	Confident	72.6	Confident	42 Å²	42	55.9 Å²	55.9	35%	0.347	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-45.7	178.9	0	0	0	0	0	112.2	L46 S47 G53 L54	L46-A50 WeakPolarHBondContact O-CB 3.23Å; L46-A50 PolarHBondContact O-N 3.35Å; S47-A50 PolarHBondContact O-N 2.79Å; A50-G53 PolarHBondContact O-N 3.37Å; A50-L54 VanDerWaalsContact O-CB 3.32Å; A50-L54 WeakPolarHBondContact O-CB 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.31Å
51	I	77.4	Confident	72	Confident	80 Å²	80	55.4 Å²	55.4	41%	0.41	32%	0.321	S	S	.	.	H	α-helix	trans	-66.5	-45.8	-179.1	-65.5	162.4	0	0	0	110.7	L21 L25 S47 G53 L54 G55	L21-I51 HydrophobicContact CD1-CG2 4.36Å; L21-I51 HydrophobicContact CD2-CB 4.21Å; L21-I51 HydrophobicContact CD2-CD1 3.65Å; L21-I51 HydrophobicContact CD2-CG2 3.97Å; L25-I51 HydrophobicContact CD1-CD1 4.44Å; L25-I51 HydrophobicContact CD2-CD1 4.1Å; S47-I51 WeakPolarHBondContact O-CB 3.26Å; S47-I51 WeakPolarHBondContact O-CD1 3.38Å; S47-I51 WeakPolarHBondContact O-CG1 3.42Å; S47-I51 PolarHBondContact O-N 2.79Å; I51-G53 VanDerWaalsContact C-N 3.35Å; I51-L54 PolarHBondContact O-N 2.84Å; I51-G55 PolarHBondContact O-N 3.26Å
52	L	74.8	Confident	71.4	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-38.1	176.2	-70.8	173.4	0	0	0	111.4	L13 D17 L21 R48 G55 V56 V77 L80	L13-L52 HydrophobicContact CD2-CD2 4.08Å; D17-L52 HydrophobicContact CB-CD2 4.37Å; L21-L52 HydrophobicContact CD1-CD1 4.47Å; L21-L52 HydrophobicContact CD1-CD2 3.8Å; L21-L52 HydrophobicContact CD1-CG 3.88Å; R48-L52 HydrophobicContact CG-CD1 4.14Å; R48-L52 WeakPolarHBondContact O-CB 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.46Å; R48-L52 PolarHBondContact O-N 3.33Å; L52-G55 PolarHBondContact O-N 3Å; L52-V56 WeakPolarHBondContact O-CG2 3.09Å; L52-V56 PolarHBondContact O-N 2.85Å; L52-V77 HydrophobicContact CB-CB 4.47Å; L52-V77 HydrophobicContact CB-CG1 3.65Å; L52-V77 HydrophobicContact CB-CG2 4.19Å; L52-L80 HydrophobicContact CD1-CB 4.13Å; L52-L80 HydrophobicContact CD1-CD1 4.34Å
53	G	73.4	Confident	70.5	Confident	24 Å²	24	57.9 Å²	57.9	25%	0.247	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-41.9	177	0	0	0	0	0	112.8	W49 A50 I51 R57	W49-G53 WeakPolarHBondContact O-CA 3.36Å; W49-G53 PolarHBondContact O-N 3.11Å; A50-G53 PolarHBondContact O-N 3.37Å; I51-G53 VanDerWaalsContact C-N 3.35Å; G53-R57 PolarHBondContact O-N 3.07Å
54	L	76.6	Confident	69.1	Low	125 Å²	125	62.4 Å²	62.4	65%	0.654	39%	0.385	S	S	*	.	H	α-helix	trans	-67.7	-40.8	173.2	-79.7	162.2	0	0	0	111.5	A50 I51 R57 G58	A50-L54 VanDerWaalsContact O-CB 3.32Å; A50-L54 WeakPolarHBondContact O-CB 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.31Å; I51-L54 PolarHBondContact O-N 2.84Å; L54-R57 PolarHBondContact O-N 3.34Å; L54-G58 PolarHBondContact O-N 2.83Å
55	G	71.3	Confident	68.1	Low	32 Å²	32	64.8 Å²	64.8	33%	0.33	42%	0.415	S	S	.	.	H	α-helix	trans	-60.2	-46.2	175.4	0	0	0	0	0	112.5	I51 L52 G58 V59	I51-G55 PolarHBondContact O-N 3.26Å; L52-G55 PolarHBondContact O-N 3Å; G55-G58 PolarHBondContact O-N 2.99Å; G55-V59 WeakPolarHBondContact O-CB 3.28Å; G55-V59 VanDerWaalsContact O-CG2 3.3Å; G55-V59 WeakPolarHBondContact O-CG2 3.29Å; G55-V59 PolarHBondContact O-N 2.79Å
56	V	69.2	Low	67.3	Low	8 Å²	8	65.3 Å²	65.3	5%	0.048	42%	0.419	C	S	.	.	H	α-helix	trans	-63.4	-43.9	176.3	171.7	0	0	0	0	111.1	L13 L52 L60 L73 V77	L13-V56 HydrophobicContact CD1-CG2 3.76Å; L13-V56 HydrophobicContact CD2-CG2 3.73Å; L13-V56 HydrophobicContact CG-CG2 4.4Å; L52-V56 WeakPolarHBondContact O-CG2 3.09Å; L52-V56 PolarHBondContact O-N 2.85Å; V56-L60 HydrophobicContact CG1-CD1 3.63Å; V56-L60 VanDerWaalsContact O-CB 3.3Å; V56-L60 WeakPolarHBondContact O-CB 3.06Å; V56-L60 WeakPolarHBondContact O-CD1 3.26Å; V56-L60 PolarHBondContact O-N 3.47Å; V56-L60 VanDerWaalsContact O-N 3.1Å; V56-L73 HydrophobicContact CG1-CB 4.04Å; V56-L73 HydrophobicContact CG1-CD1 4.46Å; V56-V77 HydrophobicContact CG2-CG2 3.67Å
57	R	68.9	Low	66.3	Low	161 Å²	161	72.7 Å²	72.7	61%	0.608	44%	0.441	S	S	*	.	H	α-helix	trans	-67	-37.7	176.5	-78.7	-177.4	176.6	166.2	0	113	G53 L54 G61	G53-R57 PolarHBondContact O-N 3.07Å; L54-R57 PolarHBondContact O-N 3.34Å; R57-G61 WeakPolarHBondContact O-CA 3.24Å; R57-G61 PolarHBondContact O-N 3.23Å
58	G	66.4	Low	65.3	Low	46 Å²	46	74.5 Å²	74.5	47%	0.474	46%	0.463	S	S	.	.	H	α-helix	trans	-69	-48.4	179	0	0	0	0	0	112.4	L54 G55	L54-G58 PolarHBondContact O-N 2.83Å; G55-G58 PolarHBondContact O-N 2.99Å
59	V	63.4	Low	64.8	Low	109 Å²	109	77.4 Å²	77.4	66%	0.661	48%	0.475	S	S	*	.	H	α-helix	trans	-67.5	-39.3	-179.5	175.3	0	0	0	0	111.5	G55	G55-V59 WeakPolarHBondContact O-CB 3.28Å; G55-V59 VanDerWaalsContact O-CG2 3.3Å; G55-V59 WeakPolarHBondContact O-CG2 3.29Å; G55-V59 PolarHBondContact O-N 2.79Å
60	L	59.3	Low	63.9	Low	25 Å²	25	73.8 Å²	73.8	13%	0.131	46%	0.464	C	S	.	.	H	α-helix	trans	-85	-21.2	-179.5	-72.2	155.3	0	0	0	113.6	V56 V62 T63 A66 W69 L70 L73	V56-L60 HydrophobicContact CG1-CD1 3.63Å; V56-L60 VanDerWaalsContact O-CB 3.3Å; V56-L60 WeakPolarHBondContact O-CB 3.06Å; V56-L60 WeakPolarHBondContact O-CD1 3.26Å; V56-L60 PolarHBondContact O-N 3.47Å; V56-L60 VanDerWaalsContact O-N 3.1Å; L60-V62 PolarHBondContact O-N 3.24Å; L60-T63 PolarHBondContact O-N 3.36Å; L60-T63 VanDerWaalsContact O-N 3.12Å; L60-T63 PolarHBondContact O-OG1 2.96Å; L60-T63 VanDerWaalsContact O-OG1 3.04Å; L60-A66 HydrophobicContact CD2-CB 3.48Å; L60-A66 VanDerWaalsContact CD2-CB 3.48Å; L60-W69 HydrophobicContact CD2-CB 3.97Å; L60-L70 HydrophobicContact CB-CD1 4.37Å; L60-L73 HydrophobicContact CD1-CD1 3.86Å
61	G	59.1	Low	63	Low	64 Å²	64	74.5 Å²	74.5	66%	0.66	47%	0.47	S	S	*	.	H	α-helix	trans	-64.8	-25.2	174.1	0	0	0	0	0	113.3	R57 T63	R57-G61 WeakPolarHBondContact O-CA 3.24Å; R57-G61 PolarHBondContact O-N 3.23Å; G61-T63 VanDerWaalsContact C-N 3.34Å
62	V	58.1	Low	62.2	Low	128 Å²	128	71.7 Å²	71.7	78%	0.776	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.5	175.3	-179.1	0	0	0	0	111.9	L60	L60-V62 PolarHBondContact O-N 3.24Å
63	T	57.4	Low	61.8	Low	72 Å²	72	71.7 Å²	71.7	44%	0.442	46%	0.459	S	S	.	.			trans	-107.2	96.8	-179.1	57.9	0	0	0	0	111.7	L60 G61 G65 A66	L60-T63 PolarHBondContact O-N 3.36Å; L60-T63 VanDerWaalsContact O-N 3.12Å; L60-T63 PolarHBondContact O-OG1 2.96Å; L60-T63 VanDerWaalsContact O-OG1 3.04Å; G61-T63 VanDerWaalsContact C-N 3.34Å; T63-G65 PolarHBondContact O-N 3.03Å; T63-A66 PolarHBondContact O-N 2.82Å
64	A	45.7	Very low	61.5	Low	119 Å²	119	74.9 Å²	74.9	98%	0.983	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	15	-174.3	0	0	0	0	0	117.3
65	G	54.1	Low	61	Low	75 Å²	75	70.4 Å²	70.4	77%	0.773	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	4.6	-179.6	0	0	0	0	0	115.5	T63	T63-G65 PolarHBondContact O-N 3.03Å
66	A	54.8	Low	60.7	Low	15 Å²	15	69.5 Å²	69.5	12%	0.124	43%	0.433	C	S	.	.			trans	-108.8	28.3	-162	0	0	0	0	0	115.7	L60 T63 G68 W69 L70	L60-A66 HydrophobicContact CD2-CB 3.48Å; L60-A66 VanDerWaalsContact CD2-CB 3.48Å; T63-A66 PolarHBondContact O-N 2.82Å; A66-G68 VanDerWaalsContact C-N 3.28Å; A66-G68 PolarHBondContact O-N 2.94Å; A66-W69 HydrophobicContact CB-CB 4.1Å; A66-W69 HydrophobicContact CB-CG 4.07Å; A66-W69 WeakPolarHBondContact O-CB 3.47Å; A66-W69 PolarHBondContact O-N 2.82Å; A66-L70 PolarHBondContact O-N 2.77Å
67	R	56.1	Low	60.7	Low	236 Å²	236	69.4 Å²	69.4	89%	0.891	43%	0.433	S	S	*	.	H	α-helix	trans	-57.7	-37.5	177.5	-86.9	-174.4	-177.5	177.5	1.6	113.2	W69 L70	R67-W69 PolarHBondContact O-N 2.99Å; R67-L70 PolarHBondContact O-N 2.84Å
68	G	57.6	Low	60.7	Low	61 Å²	61	63.3 Å²	63.3	63%	0.629	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-28	175.5	0	0	0	0	0	113.6	A66 A72	A66-G68 VanDerWaalsContact C-N 3.28Å; A66-G68 PolarHBondContact O-N 2.94Å; G68-A72 PolarHBondContact O-N 3.24Å
69	W	61.2	Low	60.6	Low	74 Å²	74	62.7 Å²	62.7	28%	0.28	41%	0.407	S	S	.	.	H	α-helix	trans	-77.6	-33.3	-178.1	-64.7	63.9	0	0	0	111.9	A5 W6 L60 A66 R67 A71 A72 L73	A5-W69 VanDerWaalsContact C-CZ3 3.44Å; A5-W69 HydrophobicContact CB-CH2 3.56Å; A5-W69 HydrophobicContact CB-CZ3 3.86Å; W6-W69 VanDerWaalsContact CA-CZ3 3.4Å; W6-W69 HydrophobicContact CB-CH2 3.9Å; W6-W69 HydrophobicContact CB-CZ3 3.73Å; W6-W69 VanDerWaalsContact N-CH2 3.32Å; W6-W69 VanDerWaalsContact N-CZ3 3.25Å; L60-W69 HydrophobicContact CD2-CB 3.97Å; A66-W69 HydrophobicContact CB-CB 4.1Å; A66-W69 HydrophobicContact CB-CG 4.07Å; A66-W69 WeakPolarHBondContact O-CB 3.47Å; A66-W69 PolarHBondContact O-N 2.82Å; R67-W69 PolarHBondContact O-N 2.99Å; W69-A71 VanDerWaalsContact C-N 3.31Å; W69-A71 PolarHBondContact O-N 3.12Å; W69-A72 PolarHBondContact O-N 2.76Å; W69-A72 VanDerWaalsContact O-N 3.13Å; W69-L73 PolarHBondContact O-N 2.63Å
70	L	59.2	Low	60.8	Low	49 Å²	49	57.9 Å²	57.9	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-40.2	178.1	-147.4	138.2	0	0	0	110.9	L60 A66 R67 A72 Q74	L60-L70 HydrophobicContact CB-CD1 4.37Å; A66-L70 PolarHBondContact O-N 2.77Å; R67-L70 PolarHBondContact O-N 2.84Å; L70-A72 VanDerWaalsContact C-N 3.31Å; L70-A72 PolarHBondContact O-N 3.32Å; L70-Q74 HydrophobicContact CD2-CG 4.29Å; L70-Q74 WeakPolarHBondContact O-CB 3.43Å; L70-Q74 VanDerWaalsContact O-CG 3.28Å; L70-Q74 WeakPolarHBondContact O-CG 3.36Å; L70-Q74 PolarHBondContact O-N 3.3Å
71	A	59.1	Low	61	Low	57 Å²	57	56.7 Å²	56.7	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-66.6	-30.4	174.2	0	0	0	0	0	113.2	W69 P75	W69-A71 VanDerWaalsContact C-N 3.31Å; W69-A71 PolarHBondContact O-N 3.12Å; A71-P75 WeakPolarHBondContact O-CD 3.27Å
72	A	60.3	Low	61.5	Low	21 Å²	21	57 Å²	57	17%	0.174	36%	0.357	C	S	.	.	H	α-helix	trans	-79.6	-33	-180	0	0	0	0	0	113.2	G68 W69 L70 P75	G68-A72 PolarHBondContact O-N 3.24Å; W69-A72 PolarHBondContact O-N 2.76Å; W69-A72 VanDerWaalsContact O-N 3.13Å; L70-A72 VanDerWaalsContact C-N 3.31Å; L70-A72 PolarHBondContact O-N 3.32Å; A72-P75 WeakPolarHBondContact O-CG 3.49Å
73	L	65.9	Low	61.9	Low	4 Å²	4	52.5 Å²	52.5	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-90.3	-29	-175.2	-74.2	164.4	0	0	0	113.9	L13 V56 L60 W69 P75 L76 V77	L13-L73 HydrophobicContact CD1-CD2 3.8Å; V56-L73 HydrophobicContact CG1-CB 4.04Å; V56-L73 HydrophobicContact CG1-CD1 4.46Å; L60-L73 HydrophobicContact CD1-CD1 3.86Å; W69-L73 PolarHBondContact O-N 2.63Å; L73-P75 VanDerWaalsContact C-CD 3.49Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 3Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L73-V77 PolarHBondContact O-N 3.24Å
74	Q	68.8	Low	62.3	Low	92 Å²	92	50.9 Å²	50.9	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-50.5	-46	175.8	-85.6	-178.8	-35.6	0	0	115.8	L70 L76 V77 A78	L70-Q74 HydrophobicContact CD2-CG 4.29Å; L70-Q74 WeakPolarHBondContact O-CB 3.43Å; L70-Q74 VanDerWaalsContact O-CG 3.28Å; L70-Q74 WeakPolarHBondContact O-CG 3.36Å; L70-Q74 PolarHBondContact O-N 3.3Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 PolarHBondContact O-N 3.07Å; Q74-V77 PolarHBondContact O-N 3.24Å; Q74-A78 WeakPolarHBondContact O-CB 3.24Å; Q74-A78 PolarHBondContact O-N 3.49Å
75	P	64.3	Low	63.2	Low	31 Å²	31	45.2 Å²	45.2	20%	0.201	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-32	178.2	27.3	-37.6	0	0	0	112.2	A71 A72 L73 A78 A79 W131	A71-P75 WeakPolarHBondContact O-CD 3.27Å; A72-P75 WeakPolarHBondContact O-CG 3.49Å; L73-P75 VanDerWaalsContact C-CD 3.49Å; P75-A78 PolarHBondContact O-N 3.5Å; P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.39Å; P75-A79 PolarHBondContact O-N 3.02Å; P75-W131 HydrophobicContact CB-CD2 4.31Å; P75-W131 HydrophobicContact CB-CG 4.06Å; P75-W131 HydrophobicContact CG-CB 4.36Å; P75-W131 HydrophobicContact CG-CG 3.87Å
76	L	66.3	Low	63.8	Low	13 Å²	13	43.3 Å²	43.3	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-42.4	176.7	-155.8	160.4	0	0	0	110	L14 L73 Q74 A79 L80 A128	L14-L76 HydrophobicContact CD2-CD2 4.49Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 3Å; L73-L76 VanDerWaalsContact O-N 3.09Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 PolarHBondContact O-N 3.07Å; L76-A79 PolarHBondContact O-N 2.77Å; L76-L80 HydrophobicContact CD2-CD1 3.42Å; L76-L80 VanDerWaalsContact CD2-CD1 3.42Å; L76-L80 HydrophobicContact CD2-CG 3.96Å; L76-L80 WeakPolarHBondContact O-CB 3.06Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 2.83Å; L76-A128 HydrophobicContact CD1-CB 4.02Å; L76-A128 HydrophobicContact CG-CB 4.28Å
77	V	68.6	Low	64.3	Low	6 Å²	6	46.6 Å²	46.6	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-43.8	172.8	172.5	0	0	0	0	112	L52 V56 L73 Q74 L80 G81	L52-V77 HydrophobicContact CB-CB 4.47Å; L52-V77 HydrophobicContact CB-CG1 3.65Å; L52-V77 HydrophobicContact CB-CG2 4.19Å; V56-V77 HydrophobicContact CG2-CG2 3.67Å; L73-V77 PolarHBondContact O-N 3.24Å; Q74-V77 PolarHBondContact O-N 3.24Å; V77-L80 PolarHBondContact O-N 3.2Å; V77-G81 PolarHBondContact O-N 2.78Å
78	A	69	Low	64.7	Low	33 Å²	33	37 Å²	37	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-43.3	176.4	0	0	0	0	0	111.7	Q74 P75 G81 L82	Q74-A78 WeakPolarHBondContact O-CB 3.24Å; Q74-A78 PolarHBondContact O-N 3.49Å; P75-A78 PolarHBondContact O-N 3.5Å; A78-G81 PolarHBondContact O-N 3.27Å; A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 PolarHBondContact O-N 3.36Å
79	A	65.3	Low	65	Low	33 Å²	33	35.3 Å²	35.3	27%	0.273	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-46.2	176.7	0	0	0	0	0	111.8	P75 L76 G81 A83 A124	P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.39Å; P75-A79 PolarHBondContact O-N 3.02Å; L76-A79 PolarHBondContact O-N 2.77Å; A79-G81 PolarHBondContact O-N 3.09Å; A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 3.35Å; A79-A83 VanDerWaalsContact O-N 3.15Å; A79-A124 HydrophobicContact CB-CB 4.24Å
80	L	66	Low	64.7	Low	8 Å²	8	36.4 Å²	36.4	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-36.3	179	-72.6	174	0	0	0	112.9	L14 L52 L76 V77 Y121	L14-L80 HydrophobicContact CD2-CD1 4.12Å; L14-L80 HydrophobicContact CD2-CD2 4.4Å; L52-L80 HydrophobicContact CD1-CB 4.13Å; L52-L80 HydrophobicContact CD1-CD1 4.34Å; L76-L80 HydrophobicContact CD2-CD1 3.42Å; L76-L80 VanDerWaalsContact CD2-CD1 3.42Å; L76-L80 HydrophobicContact CD2-CG 3.96Å; L76-L80 WeakPolarHBondContact O-CB 3.06Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 2.83Å; V77-L80 PolarHBondContact O-N 3.2Å; L80-Y121 HydrophobicContact CD2-CD2 4.33Å; L80-Y121 HydrophobicContact CD2-CE1 4.37Å; L80-Y121 HydrophobicContact CD2-CE2 3.94Å
81	G	64.4	Low	64.7	Low	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-78.7	-41	-179.2	0	0	0	0	0	114.3	G45 V77 A78 A79 P85	G45-G81 CarbonylContact C-O 3.59Å; G45-G81 VanDerWaalsContact CA-O 3.28Å; G45-G81 WeakPolarHBondContact CA-O 3.36Å; V77-G81 PolarHBondContact O-N 2.78Å; A78-G81 PolarHBondContact O-N 3.27Å; A79-G81 PolarHBondContact O-N 3.09Å; G81-P85 WeakPolarHBondContact O-CD 3.3Å
82	L	69	Low	64.7	Low	69 Å²	69	43.3 Å²	43.3	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-100.1	-17.6	-168.8	-63.8	170.4	0	0	0	114.4	W42 A78 L84 P85 G86	W42-L82 HydrophobicContact CZ3-CD2 4.23Å; A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 PolarHBondContact O-N 3.36Å; L82-L84 PolarHBondContact O-N 3.11Å; L82-P85 WeakPolarHBondContact O-CD 3.36Å; L82-P85 WeakPolarHBondContact O-CG 3.42Å; L82-G86 PolarHBondContact O-N 3.18Å
83	A	66.3	Low	64.5	Low	35 Å²	35	48.1 Å²	48.1	29%	0.289	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-41.1	-177.5	0	0	0	0	0	113.1	A79 L87	A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 3.35Å; A79-A83 VanDerWaalsContact O-N 3.15Å; A83-L87 WeakPolarHBondContact O-CB 3.19Å; A83-L87 WeakPolarHBondContact O-CD1 3.47Å; A83-L87 VanDerWaalsContact O-CG 3.27Å; A83-L87 WeakPolarHBondContact O-CG 3.33Å; A83-L87 PolarHBondContact O-N 3.1Å
84	L	66.1	Low	63.9	Low	37 Å²	37	51.4 Å²	51.4	19%	0.194	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-52.8	179.9	-104	144.6	0	0	0	113.5	L82 G86 L87 A88 F117	L82-L84 PolarHBondContact O-N 3.11Å; L84-G86 VanDerWaalsContact C-N 3.31Å; L84-G86 PolarHBondContact O-N 3.15Å; L84-L87 PolarHBondContact O-N 2.97Å; L84-A88 WeakPolarHBondContact O-CB 3.37Å; L84-A88 PolarHBondContact O-N 3.23Å; L84-F117 HydrophobicContact CD1-CD2 3.98Å; L84-F117 HydrophobicContact CD1-CE2 3.74Å
85	P	65.7	Low	63.2	Low	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-33.6	174.4	21.8	-30.6	0	0	0	112.9	V41 W42 G81 L82 A88 S89	V41-P85 HydrophobicContact CG1-CB 4.06Å; W42-P85 HydrophobicContact CD2-CB 3.78Å; W42-P85 HydrophobicContact CE3-CB 4.05Å; W42-P85 HydrophobicContact CE3-CG 4.43Å; W42-P85 HydrophobicContact CG-CB 4.07Å; W42-P85 HydrophobicContact CZ2-CB 4.39Å; W42-P85 HydrophobicContact CZ3-CB 4.47Å; G81-P85 WeakPolarHBondContact O-CD 3.3Å; L82-P85 WeakPolarHBondContact O-CD 3.36Å; L82-P85 WeakPolarHBondContact O-CG 3.42Å; P85-A88 PolarHBondContact O-N 3.28Å; P85-S89 VanDerWaalsContact O-CB 3.3Å; P85-S89 WeakPolarHBondContact O-CB 3.27Å; P85-S89 PolarHBondContact O-N 3.1Å; P85-S89 PolarHBondContact O-OG 3Å
86	G	65.5	Low	62.4	Low	35 Å²	35	58.1 Å²	58.1	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-57.4	-50.9	172	0	0	0	0	0	111.6	L82 L84 F90	L82-G86 PolarHBondContact O-N 3.18Å; L84-G86 VanDerWaalsContact C-N 3.31Å; L84-G86 PolarHBondContact O-N 3.15Å; G86-F90 VanDerWaalsContact O-CB 3.22Å; G86-F90 WeakPolarHBondContact O-CB 3.47Å; G86-F90 PolarHBondContact O-N 3.5Å
87	L	65.6	Low	61.5	Low	85 Å²	85	61.1 Å²	61.1	45%	0.445	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-42.7	177.6	-76.8	163.5	0	0	0	112.8	A83 L84 R91 F302	A83-L87 WeakPolarHBondContact O-CB 3.19Å; A83-L87 WeakPolarHBondContact O-CD1 3.47Å; A83-L87 VanDerWaalsContact O-CG 3.27Å; A83-L87 WeakPolarHBondContact O-CG 3.33Å; A83-L87 PolarHBondContact O-N 3.1Å; L84-L87 PolarHBondContact O-N 2.97Å; L87-R91 WeakPolarHBondContact O-CB 3.49Å; L87-R91 PolarHBondContact O-N 3.04Å; L87-F302 HydrophobicContact CD2-CE1 3.97Å; L87-F302 HydrophobicContact CD2-CZ 4.26Å
88	A	63.5	Low	60.3	Low	35 Å²	35	64.6 Å²	64.6	29%	0.289	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-41.6	-179.8	0	0	0	0	0	112.7	V41 L84 P85 R91 K92	V41-A88 HydrophobicContact CB-CB 4.38Å; V41-A88 HydrophobicContact CG1-CB 3.85Å; V41-A88 HydrophobicContact CG2-CB 4.4Å; L84-A88 WeakPolarHBondContact O-CB 3.37Å; L84-A88 PolarHBondContact O-N 3.23Å; P85-A88 PolarHBondContact O-N 3.28Å; A88-R91 PolarHBondContact O-N 3.26Å; A88-K92 PolarHBondContact O-N 3.39Å
89	S	64.2	Low	58.6	Low	25 Å²	25	70.2 Å²	70.2	18%	0.175	40%	0.404	C	S	.	.	H	α-helix	trans	-66.7	-44.8	178.2	-52.9	0	0	0	0	111.2	W42 P85 R91 K92 L93	W42-S89 PolarHBondContact NE1-OG 3.05Å; P85-S89 VanDerWaalsContact O-CB 3.3Å; P85-S89 WeakPolarHBondContact O-CB 3.27Å; P85-S89 PolarHBondContact O-N 3.1Å; P85-S89 PolarHBondContact O-OG 3Å; S89-R91 VanDerWaalsContact C-N 3.3Å; S89-R91 PolarHBondContact O-N 2.86Å; S89-K92 PolarHBondContact O-N 3.38Å; S89-L93 PolarHBondContact O-N 2.79Å; S89-L93 VanDerWaalsContact O-N 3.13Å
90	F	56.2	Low	57.2	Low	97 Å²	97	79.3 Å²	79.3	43%	0.425	43%	0.432	S	S	.	.	H	α-helix	trans	-64.1	-37.4	-179.9	-164.7	-99.1	0	0	0	111.7	G86 L93 S94 I298 F302	G86-F90 VanDerWaalsContact O-CB 3.22Å; G86-F90 WeakPolarHBondContact O-CB 3.47Å; G86-F90 PolarHBondContact O-N 3.5Å; F90-L93 WeakPolarHBondContact O-CB 3.48Å; F90-L93 PolarHBondContact O-N 3.42Å; F90-S94 PolarHBondContact O-N 3.36Å; F90-I298 HydrophobicContact CE2-CG2 4.46Å; F90-I298 HydrophobicContact CZ-CG2 3.99Å; F90-F302 HydrophobicContact CE1-CB 4.25Å; F90-F302 HydrophobicContact CE1-CD2 4.22Å; F90-F302 HydrophobicContact CE1-CG 4.25Å
91	R	58.6	Low	55.8	Low	137 Å²	137	87.5 Å²	87.5	52%	0.517	47%	0.47	S	S	.	.	H	α-helix	trans	-74.8	-30.3	-179.9	-148.7	177.2	-173.6	169.8	1.3	113.8	L87 A88 S89 L93 S94 A95	L87-R91 WeakPolarHBondContact O-CB 3.49Å; L87-R91 PolarHBondContact O-N 3.04Å; A88-R91 PolarHBondContact O-N 3.26Å; S89-R91 VanDerWaalsContact C-N 3.3Å; S89-R91 PolarHBondContact O-N 2.86Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-S94 WeakPolarHBondContact CA-OG 3.32Å; R91-S94 PolarHBondContact O-N 2.87Å; R91-S94 PolarHBondContact O-OG 3.32Å; R91-A95 VanDerWaalsContact O-CB 3.29Å; R91-A95 WeakPolarHBondContact O-CB 3.46Å; R91-A95 PolarHBondContact O-N 2.96Å
92	K	59.2	Low	54.5	Low	113 Å²	113	91.5 Å²	91.5	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-68.9	-34.6	171.1	-149	-174.7	-171.1	-174.5	0	111.2	L38 A88 S89 W96	L38-K92 HydrophobicContact CD1-CB 4.44Å; L38-K92 HydrophobicContact CD1-CD 3.25Å; L38-K92 HydrophobicContact CD1-CG 4.45Å; L38-K92 HydrophobicContact CD2-CB 4.4Å; L38-K92 HydrophobicContact CD2-CD 4.14Å; L38-K92 HydrophobicContact CG-CD 3.61Å; A88-K92 PolarHBondContact O-N 3.39Å; S89-K92 PolarHBondContact O-N 3.38Å; K92-W96 PolarHBondContact O-N 3.03Å
93	L	56.5	Low	52.9	Low	123 Å²	123	94.1 Å²	94.1	64%	0.644	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-42.5	170.3	-104.9	145.2	0	0	0	112.1	S89 F90 R91 W96	S89-L93 PolarHBondContact O-N 2.79Å; S89-L93 VanDerWaalsContact O-N 3.13Å; F90-L93 WeakPolarHBondContact O-CB 3.48Å; F90-L93 PolarHBondContact O-N 3.42Å; R91-L93 VanDerWaalsContact C-N 3.31Å; L93-W96 WeakPolarHBondContact O-CB 3.37Å; L93-W96 PolarHBondContact O-N 2.87Å
94	S	53.3	Low	51.6	Low	72 Å²	72	99.4 Å²	99.4	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-71	-34.1	177.4	70.3	0	0	0	0	113.2	F90 R91 W96 G97	F90-S94 PolarHBondContact O-N 3.36Å; R91-S94 WeakPolarHBondContact CA-OG 3.32Å; R91-S94 PolarHBondContact O-N 2.87Å; R91-S94 PolarHBondContact O-OG 3.32Å; S94-W96 PolarHBondContact O-N 2.91Å; S94-G97 PolarHBondContact O-N 2.81Å
95	A	53.4	Low	50.4	Low	58 Å²	58	101.5 Å²	101.5	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-71.3	-20.1	175.8	0	0	0	0	0	112.5	R91 G97 A98	R91-A95 VanDerWaalsContact O-CB 3.29Å; R91-A95 WeakPolarHBondContact O-CB 3.46Å; R91-A95 PolarHBondContact O-N 2.96Å; A95-G97 PolarHBondContact O-N 3.22Å; A95-A98 PolarHBondContact O-N 3.25Å
96	W	48.3	Very low	49.4	Very low	207 Å²	207	104.3 Å²	104.3	78%	0.784	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-20.5	176.5	-147.9	29.7	0	0	0	112.8	K92 L93 S94	K92-W96 PolarHBondContact O-N 3.03Å; L93-W96 WeakPolarHBondContact O-CB 3.37Å; L93-W96 PolarHBondContact O-N 2.87Å; S94-W96 PolarHBondContact O-N 2.91Å
97	G	47.3	Very low	48.3	Very low	75 Å²	75	107.7 Å²	107.7	77%	0.773	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-11.6	171.9	0	0	0	0	0	115.4	S94 A95	S94-G97 PolarHBondContact O-N 2.81Å; A95-G97 PolarHBondContact O-N 3.22Å
98	A	42.1	Very low	47.5	Very low	79 Å²	79	109.1 Å²	109.1	65%	0.653	62%	0.617	S	S	*	*			trans	-111.4	62	-177.2	0	0	0	0	0	110.8	A95 R100	A95-A98 PolarHBondContact O-N 3.25Å; A98-R100 PolarHBondContact O-N 2.99Å
99	L	34.7	Very low	46.8	Very low	151 Å²	151	114.6 Å²	114.6	79%	0.791	64%	0.637	S	S	*	*			trans	-86	83.5	172.8	-89.4	159.2	0	0	0	110.5
100	R	34.5	Very low	46.1	Very low	224 Å²	224	118.2 Å²	118.2	85%	0.845	65%	0.647	S	S	*	*			trans	-169.3	129.7	147.5	-121.2	172.7	173.9	165.9	-3.4	109.8	A98	A98-R100 PolarHBondContact O-N 2.99Å
101	E	38.6	Very low	45.9	Very low	180 Å²	180	118.8 Å²	118.8	84%	0.841	65%	0.654	S	S	*	*	S	Bend	trans	78.6	95.1	163.6	-62.2	170.8	-169.6	0	0	117.7
102	G	35	Very low	45.6	Very low	84 Å²	84	116.5 Å²	116.5	87%	0.866	66%	0.659	S	S	*	*	S	Bend		111.5	-19.5	104.2	0	0	0	0	0	119.7
103	D	36.8	Very low	45.5	Very low	125 Å²	125	118.9 Å²	118.9	67%	0.668	67%	0.665	S	S	*	*			trans	-133.7	61.9	-169	-142.4	2	0	0	0	114.5	A105	D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.03Å
104	N	39.1	Very low	45.5	Very low	145 Å²	145	117.7 Å²	117.7	78%	0.775	66%	0.659	S	S	*	*			trans	-82.4	1.7	-177.7	-89.6	-23	0	0	0	115
105	A	39.7	Very low	45.7	Very low	81 Å²	81	119.1 Å²	119.1	67%	0.669	66%	0.661	S	S	*	*	S	Bend	trans	-97.4	-24.5	-176.7	0	0	0	0	0	114.4	D103	D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.03Å
106	G	44.6	Very low	45.9	Very low	60 Å²	60	117.2 Å²	117.2	62%	0.619	65%	0.645	S	S	*	*	S	Bend	trans	-85.3	-18.6	-175.6	0	0	0	0	0	116	L108	G106-L108 PolarHBondContact O-N 3.06Å
107	L	43.9	Very low	46.3	Very low	105 Å²	105	108.9 Å²	108.9	55%	0.55	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.7	-13.6	-170.7	-81.9	153.5	0	0	0	114.5
108	L	47.5	Very low	47.1	Very low	115 Å²	115	109.4 Å²	109.4	60%	0.602	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-4.7	-168.3	-87.8	142.7	0	0	0	115.4	P37 G106 W110	P37-L108 HydrophobicContact CB-CD2 3.58Å; P37-L108 HydrophobicContact CG-CD2 4.07Å; G106-L108 PolarHBondContact O-N 3.06Å; L108-W110 VanDerWaalsContact C-N 3.33Å; L108-W110 PolarHBondContact O-N 3.48Å
109	H	49.1	Very low	48	Very low	150 Å²	150	111.2 Å²	111.2	69%	0.694	60%	0.6	S	S	*	*			trans	-93.5	24.3	174.4	-74.4	-61.5	0	0	0	114.3	N111 S112	H109-N111 PolarHBondContact O-N 3.32Å; H109-S112 PolarHBondContact O-N 3.11Å; H109-S112 VanDerWaalsContact O-N 3.13Å; H109-S112 PolarHBondContact O-OG 3.24Å
110	W	50.1	Low	49.1	Very low	102 Å²	102	104.8 Å²	104.8	39%	0.386	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-58.3	-23.7	-174.7	-159.7	-72.3	0	0	0	114.3	L108 S112 R113 A116	L108-W110 VanDerWaalsContact C-N 3.33Å; L108-W110 PolarHBondContact O-N 3.48Å; W110-S112 PolarHBondContact O-N 3.29Å; W110-S112 VanDerWaalsContact O-N 3.1Å; W110-R113 PolarHBondContact O-N 3.13Å; W110-A116 HydrophobicContact CZ2-CB 3.68Å
111	N	51.4	Low	50.5	Low	109 Å²	109	95.9 Å²	95.9	58%	0.583	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-62.9	-14.9	177.7	-82.3	-8	0	0	0	114.5	H109	H109-N111 PolarHBondContact O-N 3.32Å
112	S	52.3	Low	51.6	Low	89 Å²	89	91 Å²	91	62%	0.622	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-98.1	-13.4	177.8	79.1	0	0	0	0	115	H109 W110 L114	H109-S112 PolarHBondContact O-N 3.11Å; H109-S112 VanDerWaalsContact O-N 3.13Å; H109-S112 PolarHBondContact O-OG 3.24Å; W110-S112 PolarHBondContact O-N 3.29Å; W110-S112 VanDerWaalsContact O-N 3.1Å; S112-L114 PolarHBondContact O-N 2.99Å
113	R	57.7	Low	52.6	Low	162 Å²	162	89.2 Å²	89.2	61%	0.611	49%	0.494	S	S	*	.			trans	-80.6	111.8	-177.2	-76.5	-164	-179.9	-157.2	3.6	111.8	W110 D115	W110-R113 PolarHBondContact O-N 3.13Å; R113-D115 PolarHBondContact O-N 3.42Å
114	L	56.6	Low	53.6	Low	99 Å²	99	83.9 Å²	83.9	52%	0.518	47%	0.467	S	S	.	.	H	α-helix	trans	-53.8	-36.1	174.2	-78.9	159	0	0	0	112.4	S112 A116 F117 V118	S112-L114 PolarHBondContact O-N 2.99Å; L114-A116 VanDerWaalsContact C-N 3.35Å; L114-A116 PolarHBondContact O-N 2.94Å; L114-F117 PolarHBondContact O-N 2.6Å; L114-V118 WeakPolarHBondContact O-CG2 3.37Å; L114-V118 PolarHBondContact O-N 2.89Å
115	D	57.6	Low	54.5	Low	102 Å²	102	82 Å²	82	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-59.3	-40.7	-172	-43.4	-23.6	0	0	0	113.5	R113 V118 L119	R113-D115 PolarHBondContact O-N 3.42Å; D115-V118 PolarHBondContact O-N 3.4Å; D115-L119 PolarHBondContact O-N 3.02Å
116	A	56.8	Low	55.3	Low	18 Å²	18	79.8 Å²	79.8	15%	0.149	44%	0.436	C	S	.	.	H	α-helix	trans	-75	-29.1	-176.2	0	0	0	0	0	113.1	W110 L114 S120	W110-A116 HydrophobicContact CZ2-CB 3.68Å; L114-A116 VanDerWaalsContact C-N 3.35Å; L114-A116 PolarHBondContact O-N 2.94Å; A116-S120 PolarHBondContact O-N 3Å
117	F	57.4	Low	55.7	Low	32 Å²	32	79.6 Å²	79.6	14%	0.14	43%	0.428	C	S	.	.	H	α-helix	trans	-74.7	-39.4	174.1	-131.6	-98.5	0	0	0	110.6	R22 R48 L84 L114 L119 S120 Y121	R22-F117 HydrophobicContact CB-CZ 4.4Å; R22-F117 HydrophobicContact CG-CZ 4.26Å; R48-F117 VanDerWaalsContact NH2-CE1 3.32Å; L84-F117 HydrophobicContact CD1-CD2 3.98Å; L84-F117 HydrophobicContact CD1-CE2 3.74Å; L114-F117 PolarHBondContact O-N 2.6Å; F117-L119 VanDerWaalsContact C-N 3.3Å; F117-L119 PolarHBondContact O-N 2.76Å; F117-S120 PolarHBondContact O-N 3.38Å; F117-S120 PolarHBondContact O-OG 3Å; F117-Y121 AromaticContact CD1-CD2 3.94Å; F117-Y121 HydrophobicContact CD1-CD2 3.94Å; F117-Y121 AromaticContact CD1-CE2 3.36Å; F117-Y121 HydrophobicContact CD1-CE2 3.36Å; F117-Y121 HydrophobicContact CE1-CD2 4.45Å; F117-Y121 AromaticContact CE1-CE2 3.47Å; F117-Y121 HydrophobicContact CE1-CE2 3.47Å; F117-Y121 VanDerWaalsContact CE1-CE2 3.47Å; F117-Y121 HydrophobicContact CG-CE2 4.48Å; F117-Y121 WeakPolarHBondContact O-CD2 3.49Å; F117-Y121 PolarHBondContact O-N 3.35Å
118	V	63.6	Low	56.2	Low	86 Å²	86	75.1 Å²	75.1	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-61	-42.2	173.8	175.1	0	0	0	0	110.5	L114 D115 S120 Y121 V122	L114-V118 WeakPolarHBondContact O-CG2 3.37Å; L114-V118 PolarHBondContact O-N 2.89Å; D115-V118 PolarHBondContact O-N 3.4Å; V118-S120 PolarHBondContact O-N 2.93Å; V118-Y121 PolarHBondContact O-N 2.85Å; V118-V122 HydrophobicContact CG1-CG2 4.1Å; V118-V122 WeakPolarHBondContact O-CB 3.27Å; V118-V122 VanDerWaalsContact O-CG2 3.23Å; V118-V122 WeakPolarHBondContact O-CG2 3.35Å; V118-V122 PolarHBondContact O-N 2.92Å
119	L	61	Low	56.6	Low	116 Å²	116	72.2 Å²	72.2	61%	0.607	40%	0.399	S	S	*	.	H	α-helix	trans	-59.8	-41	176.1	-97.7	153.5	0	0	0	113.7	D115 F117 V122 A123	D115-L119 PolarHBondContact O-N 3.02Å; F117-L119 VanDerWaalsContact C-N 3.3Å; F117-L119 PolarHBondContact O-N 2.76Å; L119-V122 PolarHBondContact O-N 2.66Å; L119-A123 WeakPolarHBondContact O-CB 3.39Å; L119-A123 PolarHBondContact O-N 3.05Å
120	S	58.3	Low	56.9	Low	17 Å²	17	68.9 Å²	68.9	12%	0.119	39%	0.386	C	S	.	.	H	α-helix	trans	-68.4	-36.4	177.8	64.7	0	0	0	0	112.2	A116 F117 V118 A123 A124	A116-S120 PolarHBondContact O-N 3Å; F117-S120 PolarHBondContact O-N 3.38Å; F117-S120 PolarHBondContact O-OG 3Å; V118-S120 PolarHBondContact O-N 2.93Å; S120-A123 PolarHBondContact O-N 2.96Å; S120-A124 WeakPolarHBondContact O-CB 3.3Å; S120-A124 PolarHBondContact O-N 3.43Å
121	Y	62.9	Low	57.1	Low	37 Å²	37	70.9 Å²	70.9	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-69.9	-39.8	175.4	-82.2	-114.7	0	0	0	112	L14 D17 L80 F117 V118 A123 A124 L125	L14-Y121 HydrophobicContact CB-CE1 4.13Å; L14-Y121 HydrophobicContact CD2-CD1 3.63Å; L14-Y121 HydrophobicContact CD2-CE1 3.21Å; L14-Y121 HydrophobicContact CG-CE1 4.14Å; D17-Y121 PolarHBondContact OD2-OH 2.8Å; D17-Y121 VanDerWaalsContact OD2-OH 3.11Å; L80-Y121 HydrophobicContact CD2-CD2 4.33Å; L80-Y121 HydrophobicContact CD2-CE1 4.37Å; L80-Y121 HydrophobicContact CD2-CE2 3.94Å; F117-Y121 AromaticContact CD1-CD2 3.94Å; F117-Y121 HydrophobicContact CD1-CD2 3.94Å; F117-Y121 AromaticContact CD1-CE2 3.36Å; F117-Y121 HydrophobicContact CD1-CE2 3.36Å; F117-Y121 HydrophobicContact CE1-CD2 4.45Å; F117-Y121 AromaticContact CE1-CE2 3.47Å; F117-Y121 HydrophobicContact CE1-CE2 3.47Å; F117-Y121 VanDerWaalsContact CE1-CE2 3.47Å; F117-Y121 HydrophobicContact CG-CE2 4.48Å; F117-Y121 WeakPolarHBondContact O-CD2 3.49Å; F117-Y121 PolarHBondContact O-N 3.35Å; V118-Y121 PolarHBondContact O-N 2.85Å; Y121-A123 VanDerWaalsContact C-N 3.32Å; Y121-A123 PolarHBondContact O-N 2.84Å; Y121-A124 PolarHBondContact O-N 3.46Å; Y121-L125 WeakPolarHBondContact O-CG 3.43Å; Y121-L125 PolarHBondContact O-N 2.95Å; Y121-L125 VanDerWaalsContact O-N 3.13Å
122	V	62	Low	57.4	Low	76 Å²	76	70.3 Å²	70.3	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-31.5	176.5	172.1	0	0	0	0	111.8	V118 L119 P126	V118-V122 HydrophobicContact CG1-CG2 4.1Å; V118-V122 WeakPolarHBondContact O-CB 3.27Å; V118-V122 VanDerWaalsContact O-CG2 3.23Å; V118-V122 WeakPolarHBondContact O-CG2 3.35Å; V118-V122 PolarHBondContact O-N 2.92Å; L119-V122 PolarHBondContact O-N 2.66Å; V122-P126 WeakPolarHBondContact O-CD 3.29Å; V122-P126 WeakPolarHBondContact O-CG 3.47Å
123	A	57.5	Low	57.4	Low	48 Å²	48	71.4 Å²	71.4	40%	0.397	38%	0.381	S	S	.	.	H	α-helix	trans	-79.3	-35.8	172.9	0	0	0	0	0	112.9	L119 S120 Y121 P126 A127	L119-A123 WeakPolarHBondContact O-CB 3.39Å; L119-A123 PolarHBondContact O-N 3.05Å; S120-A123 PolarHBondContact O-N 2.96Å; Y121-A123 VanDerWaalsContact C-N 3.32Å; Y121-A123 PolarHBondContact O-N 2.84Å; A123-P126 WeakPolarHBondContact O-CD 3.46Å; A123-A127 WeakPolarHBondContact O-CB 3.12Å; A123-A127 PolarHBondContact O-N 2.87Å
124	A	57.6	Low	57	Low	12 Å²	12	67.2 Å²	67.2	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-70.4	-36.7	-177	0	0	0	0	0	113.2	A79 S120 Y121 A127 A128	A79-A124 HydrophobicContact CB-CB 4.24Å; S120-A124 WeakPolarHBondContact O-CB 3.3Å; S120-A124 PolarHBondContact O-N 3.43Å; Y121-A124 PolarHBondContact O-N 3.46Å; A124-A127 PolarHBondContact O-N 2.89Å; A124-A128 VanDerWaalsContact O-CB 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.49Å; A124-A128 PolarHBondContact O-N 3.48Å
125	L	56.8	Low	56.5	Low	106 Å²	106	64 Å²	64	56%	0.555	36%	0.36	S	S	*	.	H	α-helix	trans	-60.9	-50.4	178.8	-77.4	167.4	0	0	0	113.8	Y121 A128 A129	Y121-L125 WeakPolarHBondContact O-CG 3.43Å; Y121-L125 PolarHBondContact O-N 2.95Å; Y121-L125 VanDerWaalsContact O-N 3.13Å; L125-A128 PolarHBondContact O-N 3.22Å; L125-A129 WeakPolarHBondContact O-CB 3.27Å; L125-A129 PolarHBondContact O-N 3.33Å
126	P	56.9	Low	56	Low	35 Å²	35	61.8 Å²	61.8	23%	0.227	36%	0.362	C	S	.	.	H	α-helix	trans	-67.4	-35.6	174.9	13.4	-17.3	0	0	0	112.3	V122 A123 A129 L130 L310	V122-P126 WeakPolarHBondContact O-CD 3.29Å; V122-P126 WeakPolarHBondContact O-CG 3.47Å; A123-P126 WeakPolarHBondContact O-CD 3.46Å; P126-A129 PolarHBondContact O-N 3.48Å; P126-L130 WeakPolarHBondContact O-CB 3.33Å; P126-L130 PolarHBondContact O-N 3.03Å; P126-L310 HydrophobicContact CB-CD1 4.11Å; P126-L310 HydrophobicContact CG-CD1 3.38Å
127	A	53.2	Low	55.3	Low	56 Å²	56	64.7 Å²	64.7	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-42.9	174.4	0	0	0	0	0	112	A123 A124 L130 W131	A123-A127 WeakPolarHBondContact O-CB 3.12Å; A123-A127 PolarHBondContact O-N 2.87Å; A124-A127 PolarHBondContact O-N 2.89Å; A127-L130 PolarHBondContact O-N 3.45Å; A127-W131 WeakPolarHBondContact O-CB 3.48Å; A127-W131 PolarHBondContact O-N 2.97Å
128	A	54.3	Low	54.6	Low	11 Å²	11	73.7 Å²	73.7	9%	0.091	41%	0.405	C	S	.	.	H	α-helix	trans	-67.9	-37	175.1	0	0	0	0	0	112.2	L76 A124 L125 W131 H132	L76-A128 HydrophobicContact CD1-CB 4.02Å; L76-A128 HydrophobicContact CG-CB 4.28Å; A124-A128 VanDerWaalsContact O-CB 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.49Å; A124-A128 PolarHBondContact O-N 3.48Å; L125-A128 PolarHBondContact O-N 3.22Å; A128-W131 PolarHBondContact O-N 3.26Å; A128-H132 WeakPolarHBondContact O-CB 3.08Å; A128-H132 PolarHBondContact O-N 2.94Å
129	A	55.8	Low	53.5	Low	54 Å²	54	72.6 Å²	72.6	45%	0.446	41%	0.405	S	S	.	.	H	α-helix	trans	-67.4	-39	173.6	0	0	0	0	0	112.1	L125 P126 K133	L125-A129 WeakPolarHBondContact O-CB 3.27Å; L125-A129 PolarHBondContact O-N 3.33Å; P126-A129 PolarHBondContact O-N 3.48Å; A129-K133 PolarHBondContact O-N 3.2Å; A129-K133 VanDerWaalsContact O-N 3.11Å
130	L	54.8	Low	52.4	Low	80 Å²	80	72.8 Å²	72.8	42%	0.419	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-45.6	173	-128.9	105.4	0	0	0	110.3	P126 A127 K133 L134 P313	P126-L130 WeakPolarHBondContact O-CB 3.33Å; P126-L130 PolarHBondContact O-N 3.03Å; A127-L130 PolarHBondContact O-N 3.45Å; L130-K133 PolarHBondContact O-N 3.45Å; L130-L134 HydrophobicContact CD2-CD1 3.83Å; L130-L134 HydrophobicContact CG-CD1 4.46Å; L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.5Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.31Å; L130-P313 HydrophobicContact CD1-CB 4.09Å; L130-P313 HydrophobicContact CD1-CG 3.56Å
131	W	55.7	Low	51.5	Low	143 Å²	143	76.8 Å²	76.8	54%	0.542	44%	0.441	S	S	.	.	H	α-helix	trans	-70.4	-35.6	-179.8	-162.6	-82.6	0	0	0	112.9	P75 A127 A128 K133 L134 G135	P75-W131 HydrophobicContact CB-CD2 4.31Å; P75-W131 HydrophobicContact CB-CG 4.06Å; P75-W131 HydrophobicContact CG-CB 4.36Å; P75-W131 HydrophobicContact CG-CG 3.87Å; A127-W131 WeakPolarHBondContact O-CB 3.48Å; A127-W131 PolarHBondContact O-N 2.97Å; A128-W131 PolarHBondContact O-N 3.26Å; W131-K133 VanDerWaalsContact C-N 3.32Å; W131-L134 PolarHBondContact O-N 3.2Å; W131-G135 WeakPolarHBondContact O-CA 3.37Å; W131-G135 PolarHBondContact O-N 3.22Å
132	H	56.3	Low	50.3	Low	98 Å²	98	79 Å²	79	45%	0.454	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-38.6	173.7	-175	-65.3	0	0	0	110.8	A128 G136	A128-H132 WeakPolarHBondContact O-CB 3.08Å; A128-H132 PolarHBondContact O-N 2.94Å; H132-G136 PolarHBondContact O-N 3.36Å
133	K	52.9	Low	49.5	Very low	111 Å²	111	82.8 Å²	82.8	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-66.3	-48.7	172.9	-87	-168.5	174.8	177.8	0	111.2	A129 L130 W131 G136 F137	A129-K133 PolarHBondContact O-N 3.2Å; A129-K133 VanDerWaalsContact O-N 3.11Å; L130-K133 PolarHBondContact O-N 3.45Å; W131-K133 VanDerWaalsContact C-N 3.32Å; K133-G136 PolarHBondContact O-N 3Å; K133-F137 WeakPolarHBondContact O-CD2 3.49Å; K133-F137 VanDerWaalsContact O-CE2 3.32Å; K133-F137 WeakPolarHBondContact O-CE2 3.37Å
134	L	49.4	Very low	49.2	Very low	74 Å²	74	87.6 Å²	87.6	39%	0.387	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-40	178.2	-75	168.3	0	0	0	112.3	L130 W131 G136 F137 W138	L130-L134 HydrophobicContact CD2-CD1 3.83Å; L130-L134 HydrophobicContact CG-CD1 4.46Å; L130-L134 VanDerWaalsContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CB 3.5Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.31Å; W131-L134 PolarHBondContact O-N 3.2Å; L134-G136 VanDerWaalsContact C-N 3.35Å; L134-G136 PolarHBondContact O-N 3.2Å; L134-F137 WeakPolarHBondContact O-CA 3.29Å; L134-F137 WeakPolarHBondContact O-CB 3.41Å; L134-F137 PolarHBondContact O-N 3.42Å; L134-W138 VanDerWaalsContact O-CD1 3.27Å
135	G	46.7	Very low	49.1	Very low	31 Å²	31	87.9 Å²	87.9	32%	0.32	50%	0.504	S	S	.	.	H	α-helix	trans	-68.5	-31.6	-178.7	0	0	0	0	0	113.1	W131 F137 W138 A139	W131-G135 WeakPolarHBondContact O-CA 3.37Å; W131-G135 PolarHBondContact O-N 3.22Å; G135-F137 PolarHBondContact O-N 3.27Å; G135-W138 PolarHBondContact O-N 2.86Å; G135-W138 VanDerWaalsContact O-N 3.11Å; G135-A139 PolarHBondContact O-N 3.25Å
136	G	46.1	Very low	49.1	Very low	57 Å²	57	85.2 Å²	85.2	59%	0.588	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.9	167	0	0	0	0	0	113.5	H132 K133 L134	H132-G136 PolarHBondContact O-N 3.36Å; K133-G136 PolarHBondContact O-N 3Å; L134-G136 VanDerWaalsContact C-N 3.35Å; L134-G136 PolarHBondContact O-N 3.2Å
137	F	42.1	Very low	49.4	Very low	78 Å²	78	85.6 Å²	85.6	34%	0.342	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12	174.2	-66.7	-88.5	0	0	0	114	K133 L134 G135 Y442	K133-F137 WeakPolarHBondContact O-CD2 3.49Å; K133-F137 VanDerWaalsContact O-CE2 3.32Å; K133-F137 WeakPolarHBondContact O-CE2 3.37Å; L134-F137 WeakPolarHBondContact O-CA 3.29Å; L134-F137 WeakPolarHBondContact O-CB 3.41Å; L134-F137 PolarHBondContact O-N 3.42Å; G135-F137 PolarHBondContact O-N 3.27Å; F137-Y442 HydrophobicContact CB-CE2 4.47Å; F137-Y442 AromaticContact CD1-CD1 3.99Å; F137-Y442 HydrophobicContact CD1-CD1 3.99Å; F137-Y442 AromaticContact CD1-CE1 3.28Å; F137-Y442 HydrophobicContact CD1-CE1 3.28Å; F137-Y442 HydrophobicContact CD1-CE2 4.15Å; F137-Y442 AromaticContact CD1-CZ 3.37Å; F137-Y442 WeakPolarHBondContact CD1-OH 3.23Å; F137-Y442 AromaticContact CE1-CD1 3.89Å; F137-Y442 HydrophobicContact CE1-CD1 3.89Å; F137-Y442 AromaticContact CE1-CE1 3.51Å; F137-Y442 HydrophobicContact CE1-CE1 3.51Å; F137-Y442 HydrophobicContact CG-CE1 4.44Å
138	W	43	Very low	50.1	Low	222 Å²	222	87.5 Å²	87.5	84%	0.841	51%	0.509	S	S	*	.	S	Bend	trans	-105.9	0.3	177.4	-68.9	85.6	0	0	0	113.2	L134 G135 P140	L134-W138 VanDerWaalsContact O-CD1 3.27Å; G135-W138 PolarHBondContact O-N 2.86Å; G135-W138 VanDerWaalsContact O-N 3.11Å; W138-P140 WeakPolarHBondContact O-CD 3.33Å
139	A	40.9	Very low	50.9	Low	63 Å²	63	87.8 Å²	87.8	52%	0.521	51%	0.509	S	S	.	.	S	Bend	trans	-72.3	121.7	174.1	0	0	0	0	0	109.6	G135 S141	G135-A139 PolarHBondContact O-N 3.25Å; A139-S141 PolarHBondContact O-N 3.4Å
140	P	37.7	Very low	51.6	Low	120 Å²	120	87.8 Å²	87.8	78%	0.779	50%	0.501	S	S	*	.			trans	-66.9	102.6	177.4	26	-31.1	0	0	0	109	W138 G142	W138-P140 WeakPolarHBondContact O-CD 3.33Å; P140-G142 PolarHBondContact O-N 3.05Å; P140-G142 VanDerWaalsContact O-N 3.14Å
141	S	39.4	Very low	52.5	Low	101 Å²	101	88 Å²	88	71%	0.706	51%	0.509	S	S	*	.			trans	-77.2	95.6	174.7	54.8	0	0	0	0	110	A139 H143	A139-S141 PolarHBondContact O-N 3.4Å; S141-H143 PolarHBondContact O-N 3.28Å
142	G	36.7	Very low	53.6	Low	84 Å²	84	86.3 Å²	86.3	87%	0.866	50%	0.502	S	S	*	.	S	Bend	trans	53.8	-17.1	142.5	0	0	0	0	0	123.3	P140	P140-G142 PolarHBondContact O-N 3.05Å; P140-G142 VanDerWaalsContact O-N 3.14Å
143	H	46.1	Very low	54.5	Low	155 Å²	155	81.8 Å²	81.8	72%	0.718	48%	0.482	S	S	*	.	S	Bend	trans	-129.1	145.8	173	-89.6	-68.2	0	0	0	106.9	S141 G145	S141-H143 PolarHBondContact O-N 3.28Å; H143-G145 VanDerWaalsContact O-CA 3.24Å; H143-G145 WeakPolarHBondContact O-CA 3.5Å; H143-G145 PolarHBondContact O-N 3.06Å
144	K	51.5	Low	55.4	Low	149 Å²	149	80 Å²	80	65%	0.648	48%	0.477	S	S	*	.	S	Bend	trans	-29.2	107.2	-178.3	-73.3	178.7	177.4	176.3	0	109.7
145	G	53.8	Low	56.8	Low	18 Å²	18	77.8 Å²	77.8	19%	0.186	47%	0.472	C	S	.	.			trans	-61.5	154.4	-154.4	0	0	0	0	0	111.6	H143 G147 D148 M149	H143-G145 VanDerWaalsContact O-CA 3.24Å; H143-G145 WeakPolarHBondContact O-CA 3.5Å; H143-G145 PolarHBondContact O-N 3.06Å; G145-G147 PolarHBondContact O-N 2.65Å; G145-D148 PolarHBondContact N-OD2 2.77Å; G145-D148 WeakPolarHBondContact O-CB 3.38Å; G145-D148 PolarHBondContact O-N 2.83Å; G145-M149 PolarHBondContact O-N 2.97Å
146	A	57.9	Low	58.2	Low	49 Å²	49	78.4 Å²	78.4	41%	0.405	47%	0.466	S	S	.	.	H	α-helix	trans	-51.6	-29.9	172.1	0	0	0	0	0	112.4	L150 V449	A146-L150 WeakPolarHBondContact O-CG 3.35Å; A146-L150 PolarHBondContact O-N 2.82Å; A146-L150 VanDerWaalsContact O-N 3.12Å; A146-V449 VanDerWaalsContact CA-CG1 3.48Å; A146-V449 HydrophobicContact CB-CB 4.3Å; A146-V449 HydrophobicContact CB-CG1 3.6Å
147	G	62.8	Low	59.5	Low	43 Å²	43	76.1 Å²	76.1	44%	0.443	44%	0.44	S	S	.	.	H	α-helix	trans	-62.6	-42.6	171.2	0	0	0	0	0	114	G145 M149 L150 C151	G145-G147 PolarHBondContact O-N 2.65Å; G147-M149 PolarHBondContact O-N 3.3Å; G147-L150 PolarHBondContact O-N 2.81Å; G147-C151 WeakPolarHBondContact O-CB 3.3Å; G147-C151 PolarHBondContact O-N 3.16Å; G147-C151 PolarHBondContact O-SG 3.43Å
148	D	69.1	Low	60.8	Low	96 Å²	96	76.7 Å²	76.7	51%	0.513	45%	0.447	S	S	.	.	H	α-helix	trans	-64.9	-42.1	179.6	-67.8	-19.7	0	0	0	110.9	G145 C151 R152	G145-D148 PolarHBondContact N-OD2 2.77Å; G145-D148 WeakPolarHBondContact O-CB 3.38Å; G145-D148 PolarHBondContact O-N 2.83Å; D148-C151 PolarHBondContact O-N 2.84Å; D148-R152 VanDerWaalsContact O-CG 3.31Å; D148-R152 WeakPolarHBondContact O-CG 3.37Å; D148-R152 PolarHBondContact O-N 3.44Å
149	M	71.1	Confident	62.1	Low	17 Å²	17	71 Å²	71	8%	0.084	44%	0.441	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177.4	-66.4	178	-169.9	0	0	111.6	G145 G147 C151 R152 M153 V449 E453	G145-M149 PolarHBondContact O-N 2.97Å; G147-M149 PolarHBondContact O-N 3.3Å; M149-C151 VanDerWaalsContact C-N 3.34Å; M149-C151 PolarHBondContact O-N 2.79Å; M149-R152 PolarHBondContact O-N 3.18Å; M149-M153 WeakPolarHBondContact O-CG 3.39Å; M149-M153 PolarHBondContact O-N 2.92Å; M149-V449 HydrophobicContact CB-CG1 3.79Å; M149-V449 HydrophobicContact CG-CG1 4.33Å; M149-V449 HydrophobicContact SD-CG1 3.71Å; M149-E453 HydrophobicContact CE-CB 3.52Å; M149-E453 VanDerWaalsContact CE-CD 3.47Å; M149-E453 HydrophobicContact CE-CG 3.41Å; M149-E453 VanDerWaalsContact CE-CG 3.41Å; M149-E453 HydrophobicContact SD-CB 3.76Å; M149-E453 HydrophobicContact SD-CG 4.34Å
150	L	70.5	Confident	63.8	Low	54 Å²	54	69.8 Å²	69.8	28%	0.283	42%	0.424	S	S	.	.	H	α-helix	trans	-61.1	-43	173.3	-75.4	171.7	0	0	0	111.4	A146 G147 R152 M153 L154 V449	A146-L150 WeakPolarHBondContact O-CG 3.35Å; A146-L150 PolarHBondContact O-N 2.82Å; A146-L150 VanDerWaalsContact O-N 3.12Å; G147-L150 PolarHBondContact O-N 2.81Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.27Å; L150-M153 PolarHBondContact O-N 3.45Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.2Å; L150-L154 PolarHBondContact O-N 3.08Å; L150-V449 HydrophobicContact CD1-CG2 3.95Å; L150-V449 HydrophobicContact CD2-CG2 3.64Å; L150-V449 HydrophobicContact CG-CG2 3.55Å
151	C	72.7	Confident	65.7	Low	86 Å²	86	69.2 Å²	69.2	58%	0.581	41%	0.409	S	S	*	.	H	α-helix	trans	-61.3	-39	175.4	-77.2	0	0	0	0	112	G147 D148 M149 L154 G155	G147-C151 WeakPolarHBondContact O-CB 3.3Å; G147-C151 PolarHBondContact O-N 3.16Å; G147-C151 PolarHBondContact O-SG 3.43Å; D148-C151 PolarHBondContact O-N 2.84Å; M149-C151 VanDerWaalsContact C-N 3.34Å; M149-C151 PolarHBondContact O-N 2.79Å; C151-L154 CarbonylContact O-C 3.54Å; C151-L154 PolarHBondContact O-N 2.96Å; C151-G155 PolarHBondContact O-N 3.49Å
152	R	78.3	Confident	67.9	Low	106 Å²	106	67.1 Å²	67.1	40%	0.4	40%	0.403	S	S	.	.	H	α-helix	trans	-66.9	-40.7	174.8	-72.1	-176.3	75	-176.5	5.8	112.2	D148 M149 L150 G155 F156 F456 D460	D148-R152 VanDerWaalsContact O-CG 3.31Å; D148-R152 WeakPolarHBondContact O-CG 3.37Å; D148-R152 PolarHBondContact O-N 3.44Å; M149-R152 PolarHBondContact O-N 3.18Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.27Å; R152-G155 WeakPolarHBondContact O-CA 3.26Å; R152-G155 PolarHBondContact O-N 2.89Å; R152-G155 VanDerWaalsContact O-N 3.16Å; R152-F156 WeakPolarHBondContact O-CD2 3.44Å; R152-F156 PolarHBondContact O-N 2.91Å; R152-F456 HydrophobicContact CB-CE1 3.87Å; R152-F456 HydrophobicContact CB-CZ 3.72Å; R152-D460 IonicContact CZ-OD1 3.19Å; R152-D460 IonicContact CZ-OD2 2.96Å; R152-D460 IonicContact NH1-OD1 2.76Å; R152-D460 PolarHBondContact NH1-OD1 3.45Å; R152-D460 VanDerWaalsContact NH1-OD1 3.15Å; R152-D460 IonicContact NH1-OD2 3.31Å; R152-D460 PolarHBondContact NH1-OD2 2.86Å; R152-D460 IonicContact NH2-OD1 3.69Å; R152-D460 PolarHBondContact NH2-OD1 3.09Å; R152-D460 IonicContact NH2-OD2 3.12Å
153	M	75.3	Confident	70.3	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.02	38%	0.382	C	S	.	.	H	α-helix	trans	-65.1	-44	175	-66.7	-168.4	93.6	0	0	111.6	M149 L150 G155 F156 V272 I276 F456	M149-M153 WeakPolarHBondContact O-CG 3.39Å; M149-M153 PolarHBondContact O-N 2.92Å; L150-M153 PolarHBondContact O-N 3.45Å; M153-G155 PolarHBondContact O-N 3.22Å; M153-F156 WeakPolarHBondContact O-CB 3.29Å; M153-F156 PolarHBondContact O-N 2.88Å; M153-F156 VanDerWaalsContact O-N 3.1Å; M153-V272 HydrophobicContact CE-CG1 3.84Å; M153-V272 HydrophobicContact SD-CG1 4.34Å; M153-I276 HydrophobicContact CE-CD1 3.81Å; M153-I276 HydrophobicContact SD-CD1 3.18Å; M153-I276 WeakPolarHBondContact SD-CD1 3.35Å; M153-F456 HydrophobicContact CG-CE2 3.46Å; M153-F456 VanDerWaalsContact CG-CE2 3.46Å; M153-F456 HydrophobicContact CG-CZ 3.44Å; M153-F456 VanDerWaalsContact CG-CZ 3.44Å; M153-F456 HydrophobicContact SD-CE2 3.96Å; M153-F456 HydrophobicContact SD-CZ 4.46Å
154	L	72.9	Confident	72.1	Confident	73 Å²	73	63 Å²	63	38%	0.382	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-26.3	172.5	-68.1	172.9	0	0	0	112.2	L150 C151 F156 L157 L280	L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 VanDerWaalsContact O-CG 3.24Å; L150-L154 WeakPolarHBondContact O-CG 3.2Å; L150-L154 PolarHBondContact O-N 3.08Å; C151-L154 CarbonylContact O-C 3.54Å; C151-L154 PolarHBondContact O-N 2.96Å; L154-F156 VanDerWaalsContact C-N 3.26Å; L154-F156 PolarHBondContact O-N 3.08Å; L154-L157 HydrophobicContact CD2-CD1 3.85Å; L154-L157 WeakPolarHBondContact O-CA 3.39Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.4Å; L154-L280 HydrophobicContact CD2-CD2 4.09Å
155	G	78.3	Confident	73.8	Confident	28 Å²	28	61.7 Å²	61.7	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-31.3	171.7	0	0	0	0	0	113.1	C151 R152 M153 L157 D158	C151-G155 PolarHBondContact O-N 3.49Å; R152-G155 WeakPolarHBondContact O-CA 3.26Å; R152-G155 PolarHBondContact O-N 2.89Å; R152-G155 VanDerWaalsContact O-N 3.16Å; M153-G155 PolarHBondContact O-N 3.22Å; G155-L157 PolarHBondContact O-N 3.4Å; G155-D158 VanDerWaalsContact O-CB 3.22Å; G155-D158 WeakPolarHBondContact O-CB 3.4Å; G155-D158 PolarHBondContact O-N 3.36Å
156	F	75.3	Confident	75.5	Confident	44 Å²	44	64.9 Å²	64.9	19%	0.193	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.5	172.4	-70.6	-81.9	0	0	0	113	R152 M153 L154 M233 R236 V237 E240 F456 L459	R152-F156 WeakPolarHBondContact O-CD2 3.44Å; R152-F156 PolarHBondContact O-N 2.91Å; M153-F156 WeakPolarHBondContact O-CB 3.29Å; M153-F156 PolarHBondContact O-N 2.88Å; M153-F156 VanDerWaalsContact O-N 3.1Å; L154-F156 VanDerWaalsContact C-N 3.26Å; L154-F156 PolarHBondContact O-N 3.08Å; F156-M233 HydrophobicContact CB-CG 4.27Å; F156-R236 HydrophobicContact CD1-CG 4.17Å; F156-V237 HydrophobicContact CB-CG2 4.47Å; F156-V237 HydrophobicContact CD1-CG2 4.36Å; F156-V237 HydrophobicContact CD2-CG2 4.04Å; F156-V237 HydrophobicContact CE2-CG2 4.33Å; F156-V237 HydrophobicContact CG-CG2 4.04Å; F156-E240 HydrophobicContact CE1-CG 4.28Å; F156-F456 HydrophobicContact CE2-CE1 4.12Å; F156-F456 HydrophobicContact CE2-CZ 4.34Å; F156-L459 HydrophobicContact CZ-CD1 4.46Å
157	L	74	Confident	77.1	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.042	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-0	173.4	-69.9	128	0	0	0	113.5	L154 G155 S159 K160 K161 L164 T229 M230 M233	L154-L157 HydrophobicContact CD2-CD1 3.85Å; L154-L157 WeakPolarHBondContact O-CA 3.39Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.4Å; G155-L157 PolarHBondContact O-N 3.4Å; L157-S159 PolarHBondContact O-N 3.36Å; L157-K160 PolarHBondContact O-N 2.9Å; L157-K161 PolarHBondContact O-N 2.92Å; L157-L164 HydrophobicContact CB-CD1 4.28Å; L157-L164 HydrophobicContact CD2-CD1 4.16Å; L157-T229 HydrophobicContact CD2-CG2 3.61Å; L157-M230 HydrophobicContact CD1-CE 4.08Å; L157-M230 HydrophobicContact CD1-SD 4.46Å; L157-M230 HydrophobicContact CD2-CE 3.52Å; L157-M230 HydrophobicContact CD2-SD 4.2Å; L157-M230 HydrophobicContact CG-CE 4.47Å; L157-M233 HydrophobicContact CD1-CG 4.19Å; L157-M233 HydrophobicContact CD1-SD 3.47Å; L157-M233 WeakPolarHBondContact CD1-SD 3.24Å; L157-M233 HydrophobicContact CD2-CB 4.41Å; L157-M233 HydrophobicContact CG-CB 4.26Å; L157-M233 HydrophobicContact CG-CG 4.21Å; L157-M233 HydrophobicContact CG-SD 4.12Å
158	D	70.4	Confident	78.3	Confident	91 Å²	91	64.3 Å²	64.3	49%	0.487	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.4	-32.5	-172.8	-87.4	-8.3	0	0	0	113.3	G155 K160 K161	G155-D158 VanDerWaalsContact O-CB 3.22Å; G155-D158 WeakPolarHBondContact O-CB 3.4Å; G155-D158 PolarHBondContact O-N 3.36Å; D158-K160 PolarHBondContact O-N 3.22Å; D158-K161 WeakPolarHBondContact OD1-CE 3.26Å; D158-K161 IonicContact OD1-NZ 2.64Å; D158-K161 PolarHBondContact OD1-NZ 3.12Å; D158-K161 IonicContact OD2-NZ 2.59Å
159	S	69.3	Low	79.3	Confident	103 Å²	103	64.2 Å²	64.2	72%	0.72	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-68.6	-12.6	177.2	-175.1	0	0	0	0	114.1	L157	L157-S159 PolarHBondContact O-N 3.36Å
160	K	76.6	Confident	80.3	Confident	36 Å²	36	64.8 Å²	64.8	16%	0.157	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-130.5	20.1	-171.5	-67.1	-168.5	176.3	-168.1	0	114.6	L157 D158 G162 R163 T229 H232	L157-K160 PolarHBondContact O-N 2.9Å; D158-K160 PolarHBondContact O-N 3.22Å; K160-G162 PolarHBondContact O-N 3.1Å; K160-R163 VanDerWaalsContact NZ-NH1 3.13Å; K160-R163 PolarHBondContact O-N 2.96Å; K160-T229 HydrophobicContact CB-CG2 4.24Å; K160-T229 HydrophobicContact CD-CG2 4.19Å; K160-H232 PolarHBondContact NZ-CD2 3.14Å; K160-H232 PolarHBondContact NZ-CE1 3Å; K160-H232 PolarHBondContact NZ-ND1 3.43Å; K160-H232 PolarHBondContact NZ-NE2 3.42Å
161	K	78.5	Confident	81.2	Confident	109 Å²	109	62.5 Å²	62.5	47%	0.474	34%	0.34	S	S	.	.	H	α-helix	trans	-49.1	-38	178.9	-66.9	-176.7	-172.5	-177.6	0	113.8	L157 D158 R163 L164 H165	L157-K161 PolarHBondContact O-N 2.92Å; D158-K161 WeakPolarHBondContact OD1-CE 3.26Å; D158-K161 IonicContact OD1-NZ 2.64Å; D158-K161 PolarHBondContact OD1-NZ 3.12Å; D158-K161 IonicContact OD2-NZ 2.59Å; K161-R163 VanDerWaalsContact C-N 3.28Å; K161-R163 PolarHBondContact O-N 2.9Å; K161-L164 PolarHBondContact O-N 3.02Å; K161-L164 VanDerWaalsContact O-N 3.15Å; K161-H165 PolarHBondContact O-CD2 3.44Å; K161-H165 PolarHBondContact O-N 3.38Å; K161-H165 VanDerWaalsContact O-N 3.09Å
162	G	84	Confident	81.9	Confident	56 Å²	56	62 Å²	62	58%	0.577	33%	0.331	S	S	*	.	H	α-helix	trans	-58.2	-35	177	0	0	0	0	0	114.1	K160 L166	K160-G162 PolarHBondContact O-N 3.1Å; G162-L166 PolarHBondContact O-N 3.12Å; G162-L166 VanDerWaalsContact O-N 3.12Å
163	R	87.6	Confident	82.5	Confident	109 Å²	109	61.4 Å²	61.4	41%	0.411	34%	0.335	S	S	.	.	H	α-helix	trans	-72.1	-37	177.1	-62.5	-172.1	-174	-173.1	-2.4	112	K160 K161 L166 V167 I225	K160-R163 VanDerWaalsContact NZ-NH1 3.13Å; K160-R163 PolarHBondContact O-N 2.96Å; K161-R163 VanDerWaalsContact C-N 3.28Å; K161-R163 PolarHBondContact O-N 2.9Å; R163-L166 WeakPolarHBondContact O-CB 3.36Å; R163-L166 PolarHBondContact O-N 3.11Å; R163-V167 WeakPolarHBondContact O-CG2 3.29Å; R163-V167 PolarHBondContact O-N 3.16Å; R163-I225 HydrophobicContact CB-CG2 4.25Å
164	L	84.2	Confident	83.3	Confident	44 Å²	44	61.2 Å²	61.2	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-65.6	-39.6	175.6	-72.8	169.7	0	0	0	111.7	L157 K161 L166 V167 L168 M230	L157-L164 HydrophobicContact CB-CD1 4.28Å; L157-L164 HydrophobicContact CD2-CD1 4.16Å; K161-L164 PolarHBondContact O-N 3.02Å; K161-L164 VanDerWaalsContact O-N 3.15Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 3.14Å; L164-V167 PolarHBondContact O-N 3.01Å; L164-L168 PolarHBondContact O-N 3.38Å; L164-M230 HydrophobicContact CD2-CE 3.91Å
165	H	86.6	Confident	84	Confident	122 Å²	122	57.7 Å²	57.7	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-61.5	-42.1	172.9	-72.5	-60.9	0	0	0	111.8	K161 L168 V169	K161-H165 PolarHBondContact O-CD2 3.44Å; K161-H165 PolarHBondContact O-N 3.38Å; K161-H165 VanDerWaalsContact O-N 3.09Å; H165-L168 PolarHBondContact O-N 3.21Å; H165-V169 WeakPolarHBondContact O-CG2 3.01Å; H165-V169 PolarHBondContact O-N 2.85Å
166	L	91	Very high	84.5	Confident	85 Å²	85	60.1 Å²	60.1	45%	0.445	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-44.4	175.1	-178.2	64.2	0	0	0	112	G162 R163 L164 L168 V169 L170 I225	G162-L166 PolarHBondContact O-N 3.12Å; G162-L166 VanDerWaalsContact O-N 3.12Å; R163-L166 WeakPolarHBondContact O-CB 3.36Å; R163-L166 PolarHBondContact O-N 3.11Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 PolarHBondContact O-N 3.14Å; L166-L168 VanDerWaalsContact C-N 3.34Å; L166-L168 PolarHBondContact O-N 3.4Å; L166-V169 PolarHBondContact O-N 3.11Å; L166-L170 HydrophobicContact CD1-CD1 4.38Å; L166-L170 HydrophobicContact CD1-CG 4.44Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.3Å; L166-I225 HydrophobicContact CD2-CD1 3.89Å; L166-I225 HydrophobicContact CG-CD1 4.47Å
167	V	90.3	Very high	85.1	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-45	175.3	172.6	0	0	0	0	111	R163 L164 V169 L170 L171 I225 Y226	R163-V167 WeakPolarHBondContact O-CG2 3.29Å; R163-V167 PolarHBondContact O-N 3.16Å; L164-V167 PolarHBondContact O-N 3.01Å; V167-V169 VanDerWaalsContact C-N 3.32Å; V167-V169 PolarHBondContact O-N 3.39Å; V167-L170 PolarHBondContact O-N 3.48Å; V167-L171 WeakPolarHBondContact O-CB 3.25Å; V167-L171 PolarHBondContact O-N 3.07Å; V167-I225 HydrophobicContact CG2-CB 3.97Å; V167-I225 HydrophobicContact CG2-CG2 3.62Å; V167-Y226 HydrophobicContact CG1-CD2 4.14Å
168	L	88	Confident	85.8	Confident	75 Å²	75	59.6 Å²	59.6	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-41.8	178.5	-174	69.7	0	0	0	111.9	L164 H165 L166 I172	L164-L168 PolarHBondContact O-N 3.38Å; H165-L168 PolarHBondContact O-N 3.21Å; L166-L168 VanDerWaalsContact C-N 3.34Å; L166-L168 PolarHBondContact O-N 3.4Å; L168-I172 HydrophobicContact CG-CD1 4.23Å; L168-I172 VanDerWaalsContact O-CG1 3.29Å; L168-I172 WeakPolarHBondContact O-CG1 3.11Å; L168-I172 PolarHBondContact O-N 3.19Å; L168-I172 VanDerWaalsContact O-N 3.08Å
169	V	90.7	Very high	86.5	Confident	94 Å²	94	55.2 Å²	55.2	57%	0.57	30%	0.298	S	S	*	.	H	α-helix	trans	-65.7	-46.9	177.2	171.8	0	0	0	0	111.3	H165 L166 V167 L171 I172 L173	H165-V169 WeakPolarHBondContact O-CG2 3.01Å; H165-V169 PolarHBondContact O-N 2.85Å; L166-V169 PolarHBondContact O-N 3.11Å; V167-V169 VanDerWaalsContact C-N 3.32Å; V167-V169 PolarHBondContact O-N 3.39Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 2.91Å; V169-I172 PolarHBondContact O-N 3.49Å; V169-L173 PolarHBondContact O-N 2.9Å
170	L	92.2	Very high	87.4	Confident	28 Å²	28	51 Å²	51	15%	0.147	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-42.1	177.6	-72.7	169.9	0	0	0	111.5	L166 V167 L173 S174 L218 I225	L166-L170 HydrophobicContact CD1-CD1 4.38Å; L166-L170 HydrophobicContact CD1-CG 4.44Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.3Å; V167-L170 PolarHBondContact O-N 3.48Å; L170-L173 PolarHBondContact O-N 2.97Å; L170-S174 WeakPolarHBondContact O-CB 3.4Å; L170-S174 PolarHBondContact O-N 3.24Å; L170-L218 HydrophobicContact CD2-CD2 3.62Å; L170-I225 HydrophobicContact CD1-CD1 3.85Å
171	L	89.2	Confident	88	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-45.3	178.3	-176.8	154.4	0	0	0	112	V167 V169 L173 S174 C175 L284 W285	V167-L171 WeakPolarHBondContact O-CB 3.25Å; V167-L171 PolarHBondContact O-N 3.07Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 2.91Å; L171-L173 VanDerWaalsContact C-N 3.33Å; L171-L173 PolarHBondContact O-N 3.06Å; L171-S174 PolarHBondContact O-N 2.82Å; L171-C175 WeakPolarHBondContact O-CB 3.5Å; L171-C175 PolarHBondContact O-N 3.23Å; L171-C175 PolarHBondContact O-SG 3.07Å; L171-L284 HydrophobicContact CD1-CB 4.19Å; L171-W285 HydrophobicContact CD1-CB 4.31Å; L171-W285 VanDerWaalsContact CD1-CD1 3.5Å; L171-W285 HydrophobicContact CD1-CD2 3.83Å; L171-W285 HydrophobicContact CD1-CG 3.61Å; L171-W285 HydrophobicContact CG-CD2 4.08Å; L171-W285 HydrophobicContact CG-CE3 4.4Å; L171-W285 HydrophobicContact CG-CG 4.29Å
172	I	88	Confident	88.6	Confident	75 Å²	75	47.1 Å²	47.1	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-41.7	176.8	-67.8	166.2	0	0	0	110.7	L168 V169 C175 L176	L168-I172 HydrophobicContact CG-CD1 4.23Å; L168-I172 VanDerWaalsContact O-CG1 3.29Å; L168-I172 WeakPolarHBondContact O-CG1 3.11Å; L168-I172 PolarHBondContact O-N 3.19Å; L168-I172 VanDerWaalsContact O-N 3.08Å; V169-I172 PolarHBondContact O-N 3.49Å; I172-C175 PolarHBondContact O-N 3.27Å; I172-L176 HydrophobicContact CG2-CD1 4.38Å; I172-L176 WeakPolarHBondContact O-CG 3.41Å; I172-L176 PolarHBondContact O-N 3.38Å; I172-L176 VanDerWaalsContact O-N 3.14Å
173	L	90.5	Very high	88.9	Confident	93 Å²	93	48.1 Å²	48.1	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-40.9	179.5	-171.5	64	0	0	0	112.1	V169 L170 L171 L176 G177 L218	V169-L173 PolarHBondContact O-N 2.9Å; L170-L173 PolarHBondContact O-N 2.97Å; L171-L173 VanDerWaalsContact C-N 3.33Å; L171-L173 PolarHBondContact O-N 3.06Å; L173-L176 PolarHBondContact O-N 3.23Å; L173-G177 PolarHBondContact O-N 2.69Å; L173-L218 HydrophobicContact CB-CD1 4.13Å; L173-L218 HydrophobicContact CD2-CD1 3.58Å; L173-L218 HydrophobicContact CD2-CD2 4.06Å; L173-L218 HydrophobicContact CD2-CG 4.5Å; L173-L218 HydrophobicContact CG-CD1 3.59Å
174	S	91.7	Very high	89	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-45.3	173.9	126	0	0	0	0	111.2	L170 L171 L176 G177 E178 S215 E219	L170-S174 WeakPolarHBondContact O-CB 3.4Å; L170-S174 PolarHBondContact O-N 3.24Å; L171-S174 PolarHBondContact O-N 2.82Å; S174-L176 PolarHBondContact O-N 3.46Å; S174-G177 CarbonylContact O-C 3.42Å; S174-G177 WeakPolarHBondContact O-CA 3.44Å; S174-G177 PolarHBondContact O-N 3.05Å; S174-E178 PolarHBondContact O-N 3.06Å; S174-S215 WeakPolarHBondContact O-CB 3.41Å; S174-E219 VanDerWaalsContact CB-CG 3.47Å; S174-E219 WeakPolarHBondContact OG-CG 3.22Å; S174-E219 PolarHBondContact OG-OE1 3.45Å
175	C	88.5	Confident	89.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.6	-42.2	179.1	-74.9	0	0	0	0	110.9	L171 I172 G177 E178 M179	L171-C175 WeakPolarHBondContact O-CB 3.5Å; L171-C175 PolarHBondContact O-N 3.23Å; L171-C175 PolarHBondContact O-SG 3.07Å; I172-C175 PolarHBondContact O-N 3.27Å; C175-G177 VanDerWaalsContact C-N 3.3Å; C175-G177 PolarHBondContact O-N 3.5Å; C175-E178 PolarHBondContact O-N 3.35Å; C175-M179 WeakPolarHBondContact O-CB 3.43Å; C175-M179 WeakPolarHBondContact O-CG 3.45Å; C175-M179 PolarHBondContact O-N 2.84Å
176	L	88	Confident	89.5	Confident	79 Å²	79	37.8 Å²	37.8	41%	0.414	20%	0.202	S	C	.	.	H	α-helix	trans	-60.3	-39	175.4	-74.5	161.3	0	0	0	112.5	I172 L173 S174 F296	I172-L176 HydrophobicContact CG2-CD1 4.38Å; I172-L176 WeakPolarHBondContact O-CG 3.41Å; I172-L176 PolarHBondContact O-N 3.38Å; I172-L176 VanDerWaalsContact O-N 3.14Å; L173-L176 PolarHBondContact O-N 3.23Å; S174-L176 PolarHBondContact O-N 3.46Å; L176-F296 HydrophobicContact CD2-CE2 4.17Å; L176-F296 HydrophobicContact CD2-CZ 4.34Å
177	G	88.2	Confident	89.3	Confident	5 Å²	5	39.9 Å²	39.9	5%	0.052	20%	0.204	C	C	.	.	H	α-helix	trans	-68.9	-44.1	175.7	0	0	0	0	0	113.2	L173 S174 C175 M179 A180	L173-G177 PolarHBondContact O-N 2.69Å; S174-G177 CarbonylContact O-C 3.42Å; S174-G177 WeakPolarHBondContact O-CA 3.44Å; S174-G177 PolarHBondContact O-N 3.05Å; C175-G177 VanDerWaalsContact C-N 3.3Å; C175-G177 PolarHBondContact O-N 3.5Å; G177-M179 VanDerWaalsContact C-N 3.27Å; G177-M179 PolarHBondContact O-N 3.49Å; G177-A180 WeakPolarHBondContact O-CB 3.34Å; G177-A180 PolarHBondContact O-N 3.36Å; G177-A180 VanDerWaalsContact O-N 3.11Å
178	E	87.5	Confident	89.2	Confident	35 Å²	35	41.4 Å²	41.4	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-39	174.8	-67.8	-164.1	126.5	0	0	111.7	S174 C175 A180 I181 E219 R289	S174-E178 PolarHBondContact O-N 3.06Å; C175-E178 PolarHBondContact O-N 3.35Å; E178-A180 PolarHBondContact O-N 3.26Å; E178-I181 PolarHBondContact O-N 3.49Å; E178-E219 WeakPolarHBondContact CG-OE1 3.48Å; E178-R289 IonicContact OE1-NH1 2.74Å; E178-R289 PolarHBondContact OE1-NH1 2.96Å; E178-R289 IonicContact OE2-CZ 3.64Å; E178-R289 IonicContact OE2-NE 3.99Å; E178-R289 IonicContact OE2-NH1 3.89Å; E178-R289 PolarHBondContact OE2-NH1 3.25Å
179	M	86	Confident	89.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.1	-179.3	-68	-42.3	102.4	0	0	113.5	C175 G177 I181 P182 R289 C292 L293 F296 Y427	C175-M179 WeakPolarHBondContact O-CB 3.43Å; C175-M179 WeakPolarHBondContact O-CG 3.45Å; C175-M179 PolarHBondContact O-N 2.84Å; G177-M179 VanDerWaalsContact C-N 3.27Å; G177-M179 PolarHBondContact O-N 3.49Å; M179-I181 VanDerWaalsContact C-N 3.33Å; M179-P182 WeakPolarHBondContact O-CD 3.44Å; M179-R289 HydrophobicContact CE-CG 3.86Å; M179-C292 HydrophobicContact CG-CB 4.23Å; M179-L293 HydrophobicContact CE-CD2 4.5Å; M179-L293 HydrophobicContact SD-CD1 4.34Å; M179-L293 HydrophobicContact SD-CD2 3.19Å; M179-L293 WeakPolarHBondContact SD-CD2 3.4Å; M179-L293 HydrophobicContact SD-CG 3.48Å; M179-L293 WeakPolarHBondContact SD-CG 2.71Å; M179-F296 HydrophobicContact CB-CD2 3.78Å; M179-F296 HydrophobicContact CB-CE2 3.55Å; M179-F296 HydrophobicContact CB-CZ 4.27Å; M179-F296 HydrophobicContact CG-CD2 4.06Å; M179-F296 HydrophobicContact CG-CE2 4.1Å; M179-Y427 HydrophobicContact CB-CE1 4.3Å; M179-Y427 WeakPolarHBondContact O-CE1 3.38Å; M179-Y427 PolarHBondContact O-OH 3.01Å; M179-Y427 HydrophobicContact SD-CE1 4.43Å
180	A	87.5	Confident	88.9	Confident	13 Å²	13	36 Å²	36	11%	0.107	18%	0.181	C	C	.	.	H	α-helix	trans	-73	-26.7	174.9	0	0	0	0	0	112.4	G177 E178 F183 F184 L211	G177-A180 WeakPolarHBondContact O-CB 3.34Å; G177-A180 PolarHBondContact O-N 3.36Å; G177-A180 VanDerWaalsContact O-N 3.11Å; E178-A180 PolarHBondContact O-N 3.26Å; A180-F183 WeakPolarHBondContact O-CB 3.45Å; A180-F183 PolarHBondContact O-N 3.48Å; A180-F184 HydrophobicContact CB-CD2 3.94Å; A180-F184 HydrophobicContact CB-CE2 3.75Å; A180-F184 WeakPolarHBondContact O-CD2 3.28Å; A180-F184 PolarHBondContact O-N 3Å; A180-L211 HydrophobicContact CB-CB 4.3Å; A180-L211 HydrophobicContact CB-CD1 3.94Å
181	I	90.5	Very high	88.6	Confident	63 Å²	63	37.4 Å²	37.4	32%	0.323	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-52.2	-176.5	-60.3	164.1	0	0	0	111.7	E178 M179 F183 F184 T185 M208 T212	E178-I181 PolarHBondContact O-N 3.49Å; M179-I181 VanDerWaalsContact C-N 3.33Å; I181-F183 VanDerWaalsContact C-N 3.31Å; I181-F183 PolarHBondContact O-N 2.93Å; I181-F184 PolarHBondContact O-N 2.74Å; I181-T185 WeakPolarHBondContact O-CB 3.37Å; I181-T185 PolarHBondContact O-N 3.04Å; I181-T185 PolarHBondContact O-OG1 2.8Å; I181-M208 HydrophobicContact CB-CE 4.42Å; I181-M208 HydrophobicContact CG1-CE 4.23Å; I181-M208 HydrophobicContact CG2-CE 3.84Å; I181-T212 HydrophobicContact CD1-CG2 3.79Å; I181-T212 HydrophobicContact CG1-CG2 3.59Å
182	P	91.1	Very high	88.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-39.2	177.3	-25.8	37.4	0	0	0	113.1	M179 T185 G186 S423 L426 Y427	M179-P182 WeakPolarHBondContact O-CD 3.44Å; P182-T185 WeakPolarHBondContact O-CB 3.03Å; P182-T185 PolarHBondContact O-N 3.12Å; P182-G186 PolarHBondContact O-N 2.73Å; P182-S423 PolarHBondContact O-OG 3.45Å; P182-L426 HydrophobicContact CB-CB 3.76Å; P182-L426 HydrophobicContact CB-CD1 4.12Å; P182-L426 HydrophobicContact CG-CB 4.14Å; P182-Y427 HydrophobicContact CB-CD1 3.74Å; P182-Y427 HydrophobicContact CB-CD2 4.41Å; P182-Y427 HydrophobicContact CB-CE1 3.46Å; P182-Y427 VanDerWaalsContact CB-CE1 3.46Å; P182-Y427 HydrophobicContact CB-CE2 4.14Å; P182-Y427 HydrophobicContact CB-CG 4.21Å; P182-Y427 HydrophobicContact CG-CD1 3.71Å; P182-Y427 HydrophobicContact CG-CE1 3.51Å
183	F	90.1	Very high	88	Confident	78 Å²	78	44.1 Å²	44.1	34%	0.342	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-49.5	178.4	179.7	-97.3	0	0	0	112.1	A180 I181 T185 G186 R187 Y427	A180-F183 WeakPolarHBondContact O-CB 3.45Å; A180-F183 PolarHBondContact O-N 3.48Å; I181-F183 VanDerWaalsContact C-N 3.31Å; I181-F183 PolarHBondContact O-N 2.93Å; F183-T185 VanDerWaalsContact C-N 3.31Å; F183-T185 PolarHBondContact O-N 3.48Å; F183-G186 PolarHBondContact O-N 3.13Å; F183-R187 HydrophobicContact CE1-CG 4.16Å; F183-R187 HydrophobicContact CZ-CG 4.37Å; F183-R187 PolarHBondContact O-N 3.29Å; F183-Y427 WeakPolarHBondContact CB-OH 3.17Å; F183-Y427 PolarHBondContact N-OH 3.19Å
184	F	90.4	Very high	87.3	Confident	13 Å²	13	46.3 Å²	46.3	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-33.8	177.4	-71.9	-62.9	0	0	0	112.1	A180 I181 G186 R187 I188 N204 L207 M208 L211	A180-F184 HydrophobicContact CB-CD2 3.94Å; A180-F184 HydrophobicContact CB-CE2 3.75Å; A180-F184 WeakPolarHBondContact O-CD2 3.28Å; A180-F184 PolarHBondContact O-N 3Å; I181-F184 PolarHBondContact O-N 2.74Å; F184-G186 PolarHBondContact O-N 2.78Å; F184-R187 PolarHBondContact O-N 3.15Å; F184-I188 WeakPolarHBondContact O-CB 3.21Å; F184-I188 VanDerWaalsContact O-CG1 3.26Å; F184-I188 WeakPolarHBondContact O-CG1 3.3Å; F184-I188 PolarHBondContact O-N 3.32Å; F184-N204 HydrophobicContact CD1-CB 4.06Å; F184-N204 HydrophobicContact CE1-CB 4.45Å; F184-L207 HydrophobicContact CE1-CB 4.02Å; F184-L207 HydrophobicContact CE1-CD1 4.44Å; F184-L207 HydrophobicContact CE2-CB 4.39Å; F184-L207 HydrophobicContact CZ-CB 3.64Å; F184-L207 HydrophobicContact CZ-CD1 4.47Å; F184-M208 HydrophobicContact CB-CB 4.21Å; F184-M208 HydrophobicContact CB-CG 4.33Å; F184-M208 HydrophobicContact CB-SD 4.15Å; F184-M208 HydrophobicContact CD2-CB 3.7Å; F184-M208 HydrophobicContact CD2-CG 4.12Å; F184-M208 HydrophobicContact CE2-CB 4.24Å; F184-M208 HydrophobicContact CG-CB 3.98Å; F184-M208 HydrophobicContact CG-CG 4.49Å; F184-L211 HydrophobicContact CE2-CD1 3.68Å; F184-L211 HydrophobicContact CZ-CD1 4.05Å
185	T	90.8	Very high	86.1	Confident	45 Å²	45	50.9 Å²	50.9	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-42.5	174.4	-54.3	0	0	0	0	111.5	I181 P182 F183 I188 T189 V422 L426	I181-T185 WeakPolarHBondContact O-CB 3.37Å; I181-T185 PolarHBondContact O-N 3.04Å; I181-T185 PolarHBondContact O-OG1 2.8Å; P182-T185 WeakPolarHBondContact O-CB 3.03Å; P182-T185 PolarHBondContact O-N 3.12Å; F183-T185 VanDerWaalsContact C-N 3.31Å; F183-T185 PolarHBondContact O-N 3.48Å; T185-I188 PolarHBondContact O-N 3.36Å; T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 3.04Å; T185-V422 HydrophobicContact CG2-CG1 4.12Å; T185-L426 HydrophobicContact CG2-CD1 3.81Å
186	G	89.3	Confident	85.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-43.6	173.3	0	0	0	0	0	112.5	P182 F183 F184 I188 T189 D190 G419 S423	P182-G186 PolarHBondContact O-N 2.73Å; F183-G186 PolarHBondContact O-N 3.13Å; F184-G186 PolarHBondContact O-N 2.78Å; G186-I188 VanDerWaalsContact C-N 3.34Å; G186-I188 PolarHBondContact O-N 3.46Å; G186-T189 WeakPolarHBondContact O-CB 3.31Å; G186-T189 PolarHBondContact O-N 3.47Å; G186-T189 VanDerWaalsContact O-N 3.13Å; G186-D190 PolarHBondContact O-N 3.4Å; G186-G419 WeakPolarHBondContact CA-O 3.47Å; G186-G419 WeakPolarHBondContact O-CA 3.15Å; G186-S423 VanDerWaalsContact CA-OG 3.32Å; G186-S423 WeakPolarHBondContact CA-OG 3.4Å
187	R	87.3	Confident	84.4	Confident	129 Å²	129	59.4 Å²	59.4	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-38.8	176	-75.9	-74	171.6	112.1	-3.5	113.1	F183 F184 T189 W191	F183-R187 HydrophobicContact CE1-CG 4.16Å; F183-R187 HydrophobicContact CZ-CG 4.37Å; F183-R187 PolarHBondContact O-N 3.29Å; F184-R187 PolarHBondContact O-N 3.15Å; R187-T189 VanDerWaalsContact C-N 3.32Å; R187-W191 VanDerWaalsContact O-CB 3.28Å; R187-W191 WeakPolarHBondContact O-CB 3.38Å; R187-W191 PolarHBondContact O-N 3.4Å
188	I	87.8	Confident	83.9	Confident	36 Å²	36	62.6 Å²	62.6	19%	0.185	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-39.5	174.4	-70.9	165	0	0	0	110.2	F184 T185 G186 W191 I192 F201	F184-I188 WeakPolarHBondContact O-CB 3.21Å; F184-I188 VanDerWaalsContact O-CG1 3.26Å; F184-I188 WeakPolarHBondContact O-CG1 3.3Å; F184-I188 PolarHBondContact O-N 3.32Å; T185-I188 PolarHBondContact O-N 3.36Å; G186-I188 VanDerWaalsContact C-N 3.34Å; G186-I188 PolarHBondContact O-N 3.46Å; I188-W191 WeakPolarHBondContact O-CB 3.28Å; I188-W191 PolarHBondContact O-N 3.24Å; I188-I192 HydrophobicContact CG2-CD1 3.97Å; I188-I192 HydrophobicContact CG2-CG1 4.43Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.28Å; I188-I192 PolarHBondContact O-N 2.87Å; I188-F201 HydrophobicContact CD1-CE2 4.48Å; I188-F201 HydrophobicContact CG1-CD2 4.38Å; I188-F201 HydrophobicContact CG1-CE2 4.14Å; I188-F201 HydrophobicContact CG2-CE2 3.98Å
189	T	87.1	Confident	83.5	Confident	35 Å²	35	65.6 Å²	65.6	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-46.1	177.4	-54.1	0	0	0	0	111.6	T185 G186 R187 W191 I192 L193 V422	T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 3.04Å; G186-T189 WeakPolarHBondContact O-CB 3.31Å; G186-T189 PolarHBondContact O-N 3.47Å; G186-T189 VanDerWaalsContact O-N 3.13Å; R187-T189 VanDerWaalsContact C-N 3.32Å; T189-W191 VanDerWaalsContact C-N 3.32Å; T189-W191 PolarHBondContact O-N 3.22Å; T189-I192 PolarHBondContact O-N 2.93Å; T189-L193 HydrophobicContact CG2-CD1 4.28Å; T189-L193 WeakPolarHBondContact O-CG 3.35Å; T189-L193 PolarHBondContact O-N 3.27Å; T189-V422 HydrophobicContact CG2-CG2 4.09Å
190	D	86.2	Confident	83.3	Confident	22 Å²	22	67.4 Å²	67.4	12%	0.118	35%	0.351	C	S	.	.	H	α-helix	trans	-65.9	-35.9	175.9	-76.1	-22.5	0	0	0	111.7	G186 L193 Q194 S417 S418 G419	G186-D190 PolarHBondContact O-N 3.4Å; D190-L193 PolarHBondContact O-N 2.76Å; D190-Q194 PolarHBondContact O-N 3.03Å; D190-S417 WeakPolarHBondContact OD2-CB 3.4Å; D190-S417 PolarHBondContact OD2-OG 3.14Å; D190-S418 PolarHBondContact OD1-OG 3.38Å; D190-G419 WeakPolarHBondContact OD1-CA 3.33Å; D190-G419 PolarHBondContact OD1-N 3.16Å; D190-G419 WeakPolarHBondContact OD2-CA 3.33Å; D190-G419 PolarHBondContact OD2-N 3.41Å
191	W	84.8	Confident	83.1	Confident	56 Å²	56	69.7 Å²	69.7	21%	0.212	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-45.4	174.1	179.2	91.8	0	0	0	112.3	R187 I188 T189 L193 Q194 D195 T197 F201	R187-W191 VanDerWaalsContact O-CB 3.28Å; R187-W191 WeakPolarHBondContact O-CB 3.38Å; R187-W191 PolarHBondContact O-N 3.4Å; I188-W191 WeakPolarHBondContact O-CB 3.28Å; I188-W191 PolarHBondContact O-N 3.24Å; T189-W191 VanDerWaalsContact C-N 3.32Å; T189-W191 PolarHBondContact O-N 3.22Å; W191-L193 PolarHBondContact O-N 3.18Å; W191-Q194 PolarHBondContact O-N 3.49Å; W191-D195 VanDerWaalsContact CG-O 3.3Å; W191-D195 PolarHBondContact NE1-O 3.4Å; W191-D195 CarbonylContact O-C 3.49Å; W191-D195 PolarHBondContact O-N 3.18Å; W191-D195 VanDerWaalsContact O-N 3.07Å; W191-D195 VanDerWaalsContact O-O 3.08Å; W191-T197 PolarHBondContact NE1-O 2.93Å; W191-F201 HydrophobicContact CD2-CB 4.1Å; W191-F201 AromaticContact CD2-CD2 3.93Å; W191-F201 HydrophobicContact CD2-CD2 3.93Å; W191-F201 HydrophobicContact CD2-CG 4.37Å; W191-F201 AromaticContact CE3-CD2 3.72Å; W191-F201 HydrophobicContact CE3-CD2 3.72Å; W191-F201 HydrophobicContact CE3-CE2 4.28Å; W191-F201 HydrophobicContact CE3-CG 4.39Å; W191-F201 HydrophobicContact CH2-CB 4.29Å; W191-F201 HydrophobicContact CH2-CD2 4.25Å; W191-F201 HydrophobicContact CH2-CG 4.21Å; W191-F201 HydrophobicContact CZ2-CB 3.74Å; W191-F201 HydrophobicContact CZ2-CD2 4.42Å; W191-F201 HydrophobicContact CZ2-CG 4.16Å; W191-F201 AromaticContact CZ3-CD2 3.89Å; W191-F201 HydrophobicContact CZ3-CD2 3.89Å; W191-F201 HydrophobicContact CZ3-CE2 4.27Å; W191-F201 HydrophobicContact CZ3-CG 4.31Å
192	I	84.3	Confident	82.9	Confident	110 Å²	110	68.8 Å²	68.8	56%	0.564	36%	0.361	S	S	*	.	H	α-helix	trans	-59.2	-33.6	177	-68.5	167.8	0	0	0	111.1	I188 T189	I188-I192 HydrophobicContact CG2-CD1 3.97Å; I188-I192 HydrophobicContact CG2-CG1 4.43Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.28Å; I188-I192 PolarHBondContact O-N 2.87Å; T189-I192 PolarHBondContact O-N 2.93Å
193	L	80.5	Confident	82.7	Confident	113 Å²	113	76.1 Å²	76.1	59%	0.592	39%	0.389	S	S	*	.	H	α-helix	trans	-87.1	-34.5	-175.8	-69.4	167.9	0	0	0	114	T189 D190 W191 S418	T189-L193 HydrophobicContact CG2-CD1 4.28Å; T189-L193 WeakPolarHBondContact O-CG 3.35Å; T189-L193 PolarHBondContact O-N 3.27Å; D190-L193 PolarHBondContact O-N 2.76Å; W191-L193 PolarHBondContact O-N 3.18Å; L193-S418 WeakPolarHBondContact CD1-OG 3.28Å
194	Q	75.9	Confident	82.6	Confident	140 Å²	140	73.5 Å²	73.5	65%	0.654	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-44	-169.4	-62.9	-177.7	0.3	0	0	114.2	D190 W191	D190-Q194 PolarHBondContact O-N 3.03Å; W191-Q194 PolarHBondContact O-N 3.49Å
195	D	66.1	Low	82.4	Confident	96 Å²	96	76.9 Å²	76.9	51%	0.513	40%	0.395	S	S	.	.			trans	-114.9	97	-165.2	-76.5	-30.7	0	0	0	111.4	W191 T197	W191-D195 VanDerWaalsContact CG-O 3.3Å; W191-D195 PolarHBondContact NE1-O 3.4Å; W191-D195 CarbonylContact O-C 3.49Å; W191-D195 PolarHBondContact O-N 3.18Å; W191-D195 VanDerWaalsContact O-N 3.07Å; W191-D195 VanDerWaalsContact O-O 3.08Å; D195-T197 PolarHBondContact O-N 3.41Å
196	K	68.2	Low	82.4	Confident	194 Å²	194	83.4 Å²	83.4	84%	0.843	42%	0.415	S	S	*	.			trans	-78.6	27.9	177.6	-64.2	-176.5	-179.8	178.7	0	114.3	A198	K196-A198 PolarHBondContact O-N 3.22Å
197	T	73.4	Confident	82.5	Confident	64 Å²	64	87.2 Å²	87.2	39%	0.393	44%	0.435	S	S	.	.			trans	-87	110.5	-176.5	57	0	0	0	0	111.6	W191 D195 P199 S200	W191-T197 PolarHBondContact NE1-O 2.93Å; D195-T197 PolarHBondContact O-N 3.41Å; T197-P199 VanDerWaalsContact C-CD 3.42Å; T197-S200 PolarHBondContact O-N 3.02Å; T197-S200 PolarHBondContact OG1-OG 2.91Å
198	A	76.3	Confident	82.6	Confident	72 Å²	72	83.4 Å²	83.4	60%	0.595	42%	0.423	S	S	*	.	H	α-helix	trans	-52.2	-42.1	177.9	0	0	0	0	0	115.9	K196 S200 F201 A202	K196-A198 PolarHBondContact O-N 3.22Å; A198-S200 PolarHBondContact O-N 3.19Å; A198-F201 PolarHBondContact O-N 2.75Å; A198-A202 PolarHBondContact O-N 2.9Å
199	P	80.6	Confident	82.7	Confident	98 Å²	98	84.3 Å²	84.3	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-69.3	-32.4	-174.4	25.4	-34.6	0	0	0	113.5	T197 R203	T197-P199 VanDerWaalsContact C-CD 3.42Å; P199-R203 WeakPolarHBondContact O-CB 3.42Å; P199-R203 PolarHBondContact O-N 2.88Å
200	S	80.3	Confident	83	Confident	37 Å²	37	87.4 Å²	87.4	26%	0.259	45%	0.446	S	S	.	.	H	α-helix	trans	-67.1	-38.6	178.4	-63.2	0	0	0	0	111.9	T197 A198 N204	T197-S200 PolarHBondContact O-N 3.02Å; T197-S200 PolarHBondContact OG1-OG 2.91Å; A198-S200 PolarHBondContact O-N 3.19Å; S200-N204 VanDerWaalsContact O-CG 3.26Å; S200-N204 PolarHBondContact O-N 3.04Å; S200-N204 VanDerWaalsContact O-N 3.1Å; S200-N204 PolarHBondContact O-ND2 3.33Å
201	F	84.4	Confident	83.3	Confident	61 Å²	61	89.6 Å²	89.6	27%	0.268	46%	0.458	S	S	.	.	H	α-helix	trans	-65	-50.4	176.2	-178.7	-102	0	0	0	111.6	I188 W191 A198 R203 N204 M205	I188-F201 HydrophobicContact CD1-CE2 4.48Å; I188-F201 HydrophobicContact CG1-CD2 4.38Å; I188-F201 HydrophobicContact CG1-CE2 4.14Å; I188-F201 HydrophobicContact CG2-CE2 3.98Å; W191-F201 HydrophobicContact CD2-CB 4.1Å; W191-F201 AromaticContact CD2-CD2 3.93Å; W191-F201 HydrophobicContact CD2-CD2 3.93Å; W191-F201 HydrophobicContact CD2-CG 4.37Å; W191-F201 AromaticContact CE3-CD2 3.72Å; W191-F201 HydrophobicContact CE3-CD2 3.72Å; W191-F201 HydrophobicContact CE3-CE2 4.28Å; W191-F201 HydrophobicContact CE3-CG 4.39Å; W191-F201 HydrophobicContact CH2-CB 4.29Å; W191-F201 HydrophobicContact CH2-CD2 4.25Å; W191-F201 HydrophobicContact CH2-CG 4.21Å; W191-F201 HydrophobicContact CZ2-CB 3.74Å; W191-F201 HydrophobicContact CZ2-CD2 4.42Å; W191-F201 HydrophobicContact CZ2-CG 4.16Å; W191-F201 AromaticContact CZ3-CD2 3.89Å; W191-F201 HydrophobicContact CZ3-CD2 3.89Å; W191-F201 HydrophobicContact CZ3-CE2 4.27Å; W191-F201 HydrophobicContact CZ3-CG 4.31Å; A198-F201 PolarHBondContact O-N 2.75Å; F201-R203 VanDerWaalsContact C-N 3.32Å; F201-R203 PolarHBondContact O-N 3.14Å; F201-N204 PolarHBondContact O-N 3.01Å; F201-M205 HydrophobicContact CD1-CG 4.37Å; F201-M205 HydrophobicContact CD1-SD 3.87Å; F201-M205 HydrophobicContact CE1-CG 4.04Å; F201-M205 HydrophobicContact CE1-SD 3.13Å; F201-M205 WeakPolarHBondContact CE1-SD 3.31Å; F201-M205 HydrophobicContact CE2-CG 4.44Å; F201-M205 HydrophobicContact CE2-SD 4.34Å; F201-M205 HydrophobicContact CZ-CG 4.06Å; F201-M205 HydrophobicContact CZ-SD 3.41Å; F201-M205 WeakPolarHBondContact CZ-SD 3.16Å; F201-M205 PolarHBondContact O-N 3.42Å
202	A	86.1	Confident	83.6	Confident	45 Å²	45	88.5 Å²	88.5	37%	0.372	46%	0.457	S	S	.	.	H	α-helix	trans	-58.6	-42.6	178.5	0	0	0	0	0	112	A198 M205 W206	A198-A202 PolarHBondContact O-N 2.9Å; A202-M205 PolarHBondContact O-N 3.15Å; A202-W206 WeakPolarHBondContact O-CB 3.4Å; A202-W206 VanDerWaalsContact O-CD1 3.25Å; A202-W206 PolarHBondContact O-N 2.75Å
203	R	87.6	Confident	84	Confident	155 Å²	155	88.6 Å²	88.6	59%	0.585	46%	0.458	S	S	*	.	H	α-helix	trans	-62.1	-45.1	176.2	-176.1	179.9	64.2	-161.4	-4.7	112.3	P199 F201 W206 L207	P199-R203 WeakPolarHBondContact O-CB 3.42Å; P199-R203 PolarHBondContact O-N 2.88Å; F201-R203 VanDerWaalsContact C-N 3.32Å; F201-R203 PolarHBondContact O-N 3.14Å; R203-W206 PolarHBondContact O-N 2.89Å; R203-L207 HydrophobicContact CG-CD1 4.13Å; R203-L207 WeakPolarHBondContact O-CB 3.18Å; R203-L207 VanDerWaalsContact O-CG 3.32Å; R203-L207 WeakPolarHBondContact O-CG 3.15Å; R203-L207 PolarHBondContact O-N 3.44Å
204	N	87.2	Confident	84.7	Confident	22 Å²	22	85.2 Å²	85.2	12%	0.118	45%	0.446	C	S	.	.	H	α-helix	trans	-65.6	-39.5	178.8	-71	-19.1	0	0	0	111.7	F184 S200 F201 M208	F184-N204 HydrophobicContact CD1-CB 4.06Å; F184-N204 HydrophobicContact CE1-CB 4.45Å; S200-N204 VanDerWaalsContact O-CG 3.26Å; S200-N204 PolarHBondContact O-N 3.04Å; S200-N204 VanDerWaalsContact O-N 3.1Å; S200-N204 PolarHBondContact O-ND2 3.33Å; F201-N204 PolarHBondContact O-N 3.01Å; N204-M208 VanDerWaalsContact O-CB 3.29Å; N204-M208 WeakPolarHBondContact O-CB 3.44Å; N204-M208 PolarHBondContact O-N 2.65Å
205	M	87.2	Confident	85.5	Confident	85 Å²	85	78.9 Å²	78.9	42%	0.419	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-46.2	173.8	-76.6	-168.5	72.3	0	0	112.2	F201 A202 M208 C209	F201-M205 HydrophobicContact CD1-CG 4.37Å; F201-M205 HydrophobicContact CD1-SD 3.87Å; F201-M205 HydrophobicContact CE1-CG 4.04Å; F201-M205 HydrophobicContact CE1-SD 3.13Å; F201-M205 WeakPolarHBondContact CE1-SD 3.31Å; F201-M205 HydrophobicContact CE2-CG 4.44Å; F201-M205 HydrophobicContact CE2-SD 4.34Å; F201-M205 HydrophobicContact CZ-CG 4.06Å; F201-M205 HydrophobicContact CZ-SD 3.41Å; F201-M205 WeakPolarHBondContact CZ-SD 3.16Å; F201-M205 PolarHBondContact O-N 3.42Å; A202-M205 PolarHBondContact O-N 3.15Å; M205-M208 WeakPolarHBondContact O-CB 3.44Å; M205-M208 PolarHBondContact O-N 3.21Å; M205-C209 PolarHBondContact O-N 2.88Å; M205-C209 PolarHBondContact O-SG 2.76Å; M205-C209 VanDerWaalsContact O-SG 3.35Å
206	W	90.2	Very high	86.7	Confident	182 Å²	182	78.3 Å²	78.3	69%	0.689	42%	0.417	S	S	*	.	H	α-helix	trans	-61.9	-44.4	177.4	-88.2	110.3	0	0	0	112.2	A202 R203 M208 C209 I210	A202-W206 WeakPolarHBondContact O-CB 3.4Å; A202-W206 VanDerWaalsContact O-CD1 3.25Å; A202-W206 PolarHBondContact O-N 2.75Å; R203-W206 PolarHBondContact O-N 2.89Å; W206-M208 VanDerWaalsContact C-N 3.35Å; W206-C209 PolarHBondContact O-N 3.16Å; W206-I210 WeakPolarHBondContact O-CB 3.32Å; W206-I210 VanDerWaalsContact O-CG1 3.25Å; W206-I210 WeakPolarHBondContact O-CG1 3.33Å; W206-I210 PolarHBondContact O-N 3.44Å
207	L	90.2	Very high	88	Confident	79 Å²	79	73.5 Å²	73.5	41%	0.414	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-42	175.9	-72.2	173.1	0	0	0	111.9	F184 R203 I210 L211	F184-L207 HydrophobicContact CE1-CB 4.02Å; F184-L207 HydrophobicContact CE1-CD1 4.44Å; F184-L207 HydrophobicContact CE2-CB 4.39Å; F184-L207 HydrophobicContact CZ-CB 3.64Å; F184-L207 HydrophobicContact CZ-CD1 4.47Å; R203-L207 HydrophobicContact CG-CD1 4.13Å; R203-L207 WeakPolarHBondContact O-CB 3.18Å; R203-L207 VanDerWaalsContact O-CG 3.32Å; R203-L207 WeakPolarHBondContact O-CG 3.15Å; R203-L207 PolarHBondContact O-N 3.44Å; L207-I210 PolarHBondContact O-N 2.83Å; L207-L211 WeakPolarHBondContact O-CB 3.38Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 3.01Å
208	M	89.2	Confident	88.9	Confident	49 Å²	49	72.3 Å²	72.3	24%	0.241	40%	0.395	C	S	.	.	H	α-helix	trans	-58.7	-52.3	174.1	-178.9	-179.3	167.1	0	0	110.7	I181 F184 N204 M205 W206 I210 L211 T212	I181-M208 HydrophobicContact CB-CE 4.42Å; I181-M208 HydrophobicContact CG1-CE 4.23Å; I181-M208 HydrophobicContact CG2-CE 3.84Å; F184-M208 HydrophobicContact CB-CB 4.21Å; F184-M208 HydrophobicContact CB-CG 4.33Å; F184-M208 HydrophobicContact CB-SD 4.15Å; F184-M208 HydrophobicContact CD2-CB 3.7Å; F184-M208 HydrophobicContact CD2-CG 4.12Å; F184-M208 HydrophobicContact CE2-CB 4.24Å; F184-M208 HydrophobicContact CG-CB 3.98Å; F184-M208 HydrophobicContact CG-CG 4.49Å; N204-M208 VanDerWaalsContact O-CB 3.29Å; N204-M208 WeakPolarHBondContact O-CB 3.44Å; N204-M208 PolarHBondContact O-N 2.65Å; M205-M208 WeakPolarHBondContact O-CB 3.44Å; M205-M208 PolarHBondContact O-N 3.21Å; W206-M208 VanDerWaalsContact C-N 3.35Å; M208-I210 PolarHBondContact O-N 3.35Å; M208-L211 PolarHBondContact O-N 3.43Å; M208-T212 HydrophobicContact CG-CG2 4.46Å; M208-T212 WeakPolarHBondContact O-CG2 3.39Å; M208-T212 PolarHBondContact O-N 3.2Å; M208-T212 PolarHBondContact O-OG1 3.14Å
209	C	90.8	Very high	89.7	Confident	56 Å²	56	70.5 Å²	70.5	38%	0.378	37%	0.374	S	S	.	.	H	α-helix	trans	-58.2	-46.6	179.1	-72.1	0	0	0	0	112.4	M205 W206 T212 I213	M205-C209 PolarHBondContact O-N 2.88Å; M205-C209 PolarHBondContact O-SG 2.76Å; M205-C209 VanDerWaalsContact O-SG 3.35Å; W206-C209 PolarHBondContact O-N 3.16Å; C209-T212 WeakPolarHBondContact CA-OG1 3.39Å; C209-T212 PolarHBondContact O-N 3.34Å; C209-T212 PolarHBondContact O-OG1 2.96Å; C209-I213 WeakPolarHBondContact O-CB 3.37Å; C209-I213 VanDerWaalsContact O-CG1 3.24Å; C209-I213 WeakPolarHBondContact O-CG1 3.49Å; C209-I213 PolarHBondContact O-N 2.71Å
210	I	92.7	Very high	90.3	Very high	100 Å²	100	74 Å²	74	51%	0.513	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-46.2	179.5	-69.1	165.8	0	0	0	110.5	W206 L207 M208 I213 A214	W206-I210 WeakPolarHBondContact O-CB 3.32Å; W206-I210 VanDerWaalsContact O-CG1 3.25Å; W206-I210 WeakPolarHBondContact O-CG1 3.33Å; W206-I210 PolarHBondContact O-N 3.44Å; L207-I210 PolarHBondContact O-N 2.83Å; M208-I210 PolarHBondContact O-N 3.35Å; I210-I213 PolarHBondContact O-N 2.83Å; I210-A214 WeakPolarHBondContact O-CB 3.43Å; I210-A214 PolarHBondContact O-N 3.34Å
211	L	92.6	Very high	91	Very high	67 Å²	67	74.1 Å²	74.1	35%	0.351	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-38.5	179.6	-78.8	162.5	0	0	0	112.2	A180 F184 L207 M208 S215	A180-L211 HydrophobicContact CB-CB 4.3Å; A180-L211 HydrophobicContact CB-CD1 3.94Å; F184-L211 HydrophobicContact CE2-CD1 3.68Å; F184-L211 HydrophobicContact CZ-CD1 4.05Å; L207-L211 WeakPolarHBondContact O-CB 3.38Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 3.01Å; M208-L211 PolarHBondContact O-N 3.43Å; L211-S215 WeakPolarHBondContact O-CB 3.45Å; L211-S215 PolarHBondContact O-N 3.23Å; L211-S215 PolarHBondContact O-OG 3.25Å
212	T	91.1	Very high	91.3	Very high	33 Å²	33	71.5 Å²	71.5	20%	0.202	37%	0.373	C	S	.	.	H	α-helix	trans	-69	-40.4	176.5	51.3	0	0	0	0	112.7	I181 M208 C209 S215 T216	I181-T212 HydrophobicContact CD1-CG2 3.79Å; I181-T212 HydrophobicContact CG1-CG2 3.59Å; M208-T212 HydrophobicContact CG-CG2 4.46Å; M208-T212 WeakPolarHBondContact O-CG2 3.39Å; M208-T212 PolarHBondContact O-N 3.2Å; M208-T212 PolarHBondContact O-OG1 3.14Å; C209-T212 WeakPolarHBondContact CA-OG1 3.39Å; C209-T212 PolarHBondContact O-N 3.34Å; C209-T212 PolarHBondContact O-OG1 2.96Å; T212-S215 WeakPolarHBondContact CA-OG 3.24Å; T212-S215 PolarHBondContact O-OG 3.48Å; T212-T216 PolarHBondContact O-N 3.23Å; T212-T216 PolarHBondContact O-OG1 2.9Å
213	I	93.6	Very high	91.6	Very high	113 Å²	113	72 Å²	72	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-68.1	-43.3	176.7	-67.2	166.1	0	0	0	109.4	C209 I210 T216 V217	C209-I213 WeakPolarHBondContact O-CB 3.37Å; C209-I213 VanDerWaalsContact O-CG1 3.24Å; C209-I213 WeakPolarHBondContact O-CG1 3.49Å; C209-I213 PolarHBondContact O-N 2.71Å; I210-I213 PolarHBondContact O-N 2.83Å; I213-T216 PolarHBondContact O-N 2.92Å; I213-V217 HydrophobicContact CG2-CG2 4.47Å; I213-V217 VanDerWaalsContact O-CG2 3.3Å; I213-V217 WeakPolarHBondContact O-CG2 3.5Å; I213-V217 PolarHBondContact O-N 3.47Å
214	A	93.8	Very high	91.9	Very high	42 Å²	42	66.1 Å²	66.1	35%	0.347	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-43.5	177	0	0	0	0	0	111.9	I210 V217 L218	I210-A214 WeakPolarHBondContact O-CB 3.43Å; I210-A214 PolarHBondContact O-N 3.34Å; A214-V217 PolarHBondContact O-N 3.06Å; A214-L218 WeakPolarHBondContact O-CB 3.31Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 3.1Å
215	S	93	Very high	92.2	Very high	6 Å²	6	67.3 Å²	67.3	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-51.4	175.2	61.3	0	0	0	0	110.5	S174 L211 T212 V217 L218 E219	S174-S215 WeakPolarHBondContact O-CB 3.41Å; L211-S215 WeakPolarHBondContact O-CB 3.45Å; L211-S215 PolarHBondContact O-N 3.23Å; L211-S215 PolarHBondContact O-OG 3.25Å; T212-S215 WeakPolarHBondContact CA-OG 3.24Å; T212-S215 PolarHBondContact O-OG 3.48Å; S215-V217 VanDerWaalsContact C-N 3.27Å; S215-V217 PolarHBondContact O-N 2.98Å; S215-L218 WeakPolarHBondContact O-CB 3.39Å; S215-L218 PolarHBondContact O-N 2.99Å; S215-E219 WeakPolarHBondContact O-CG 3.41Å; S215-E219 PolarHBondContact O-N 3.33Å
216	T	92.4	Very high	92.4	Very high	85 Å²	85	63.3 Å²	63.3	52%	0.521	34%	0.343	S	S	.	.	H	α-helix	trans	-58.2	-36.9	179.8	-58.2	0	0	0	0	113	T212 I213 F220	T212-T216 PolarHBondContact O-N 3.23Å; T212-T216 PolarHBondContact O-OG1 2.9Å; I213-T216 PolarHBondContact O-N 2.92Å; T216-F220 WeakPolarHBondContact O-CB 3.43Å; T216-F220 PolarHBondContact O-N 2.9Å
217	V	94.6	Very high	92.5	Very high	92 Å²	92	58.4 Å²	58.4	56%	0.558	33%	0.331	S	S	*	.	H	α-helix	trans	-68.5	-42.5	175.3	172.4	0	0	0	0	111.7	I213 A214 S215 E219 F220 A221	I213-V217 HydrophobicContact CG2-CG2 4.47Å; I213-V217 VanDerWaalsContact O-CG2 3.3Å; I213-V217 WeakPolarHBondContact O-CG2 3.5Å; I213-V217 PolarHBondContact O-N 3.47Å; A214-V217 PolarHBondContact O-N 3.06Å; S215-V217 VanDerWaalsContact C-N 3.27Å; S215-V217 PolarHBondContact O-N 2.98Å; V217-E219 VanDerWaalsContact C-N 3.3Å; V217-E219 PolarHBondContact O-N 3.31Å; V217-F220 PolarHBondContact O-N 3.4Å; V217-A221 WeakPolarHBondContact O-CB 3.49Å; V217-A221 PolarHBondContact O-N 3.45Å
218	L	93.8	Very high	92.6	Very high	39 Å²	39	59.3 Å²	59.3	20%	0.204	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-36.8	176.5	-70.7	168.3	0	0	0	111.9	L170 L173 A214 S215 G222	L170-L218 HydrophobicContact CD2-CD2 3.62Å; L173-L218 HydrophobicContact CB-CD1 4.13Å; L173-L218 HydrophobicContact CD2-CD1 3.58Å; L173-L218 HydrophobicContact CD2-CD2 4.06Å; L173-L218 HydrophobicContact CD2-CG 4.5Å; L173-L218 HydrophobicContact CG-CD1 3.59Å; A214-L218 WeakPolarHBondContact O-CB 3.31Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 3.1Å; S215-L218 WeakPolarHBondContact O-CB 3.39Å; S215-L218 PolarHBondContact O-N 2.99Å; L218-G222 PolarHBondContact O-N 3.2Å
219	E	92	Very high	92.7	Very high	34 Å²	34	57 Å²	57	16%	0.159	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-49.5	175.6	-69	174.3	-168.9	0	0	111.2	S174 E178 S215 V217 A221 G222 D223 W285	S174-E219 VanDerWaalsContact CB-CG 3.47Å; S174-E219 WeakPolarHBondContact OG-CG 3.22Å; S174-E219 PolarHBondContact OG-OE1 3.45Å; E178-E219 WeakPolarHBondContact CG-OE1 3.48Å; S215-E219 WeakPolarHBondContact O-CG 3.41Å; S215-E219 PolarHBondContact O-N 3.33Å; V217-E219 VanDerWaalsContact C-N 3.3Å; V217-E219 PolarHBondContact O-N 3.31Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.27Å; E219-G222 PolarHBondContact O-N 3.4Å; E219-D223 VanDerWaalsContact O-CB 3.28Å; E219-D223 WeakPolarHBondContact O-CB 3.29Å; E219-D223 PolarHBondContact O-N 3.3Å; E219-W285 HydrophobicContact CB-CH2 3.72Å; E219-W285 HydrophobicContact CB-CZ2 4.36Å; E219-W285 HydrophobicContact CG-CH2 3.33Å; E219-W285 HydrophobicContact CG-CZ2 4.31Å; E219-W285 HydrophobicContact CG-CZ3 3.93Å
220	F	94.1	Very high	92.6	Very high	171 Å²	171	54.7 Å²	54.7	75%	0.75	31%	0.307	S	S	*	.	H	α-helix	trans	-58.7	-44	176.8	-177.8	-98.1	0	0	0	111.7	T216 V217 G224	T216-F220 WeakPolarHBondContact O-CB 3.43Å; T216-F220 PolarHBondContact O-N 2.9Å; V217-F220 PolarHBondContact O-N 3.4Å; F220-G224 PolarHBondContact O-N 3.03Å
221	A	94	Very high	92.5	Very high	41 Å²	41	51.5 Å²	51.5	34%	0.339	30%	0.299	S	S	.	.	H	α-helix	trans	-65.8	-44.4	176.3	0	0	0	0	0	112.3	V217 E219 I225	V217-A221 WeakPolarHBondContact O-CB 3.49Å; V217-A221 PolarHBondContact O-N 3.45Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.27Å; A221-I225 WeakPolarHBondContact O-CD1 3.48Å; A221-I225 VanDerWaalsContact O-CG1 3.23Å; A221-I225 WeakPolarHBondContact O-CG1 3.27Å; A221-I225 PolarHBondContact O-N 3.09Å
222	G	92.1	Very high	92.4	Very high	5 Å²	5	53.6 Å²	53.6	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-47	179.1	0	0	0	0	0	112.4	L218 E219 I225 Y226	L218-G222 PolarHBondContact O-N 3.2Å; E219-G222 PolarHBondContact O-N 3.4Å; G222-I225 PolarHBondContact O-N 3.48Å; G222-Y226 WeakPolarHBondContact O-CB 3.43Å; G222-Y226 PolarHBondContact O-N 3.25Å
223	D	92	Very high	92.2	Very high	56 Å²	56	52.4 Å²	52.4	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-67.5	-39.5	178.4	-166.1	60.3	0	0	0	111.6	E219 I225 Y226 N227 N281	E219-D223 VanDerWaalsContact O-CB 3.28Å; E219-D223 WeakPolarHBondContact O-CB 3.29Å; E219-D223 PolarHBondContact O-N 3.3Å; D223-I225 PolarHBondContact O-N 2.92Å; D223-Y226 WeakPolarHBondContact O-CB 3.35Å; D223-Y226 PolarHBondContact O-N 3.44Å; D223-N227 WeakPolarHBondContact O-CB 3.45Å; D223-N227 PolarHBondContact O-N 3.46Å; D223-N227 PolarHBondContact O-ND2 3.46Å; D223-N227 PolarHBondContact OD2-ND2 3.05Å; D223-N281 PolarHBondContact OD1-ND2 3.37Å; D223-N281 VanDerWaalsContact OD1-ND2 3.1Å
224	G	93.1	Very high	92	Very high	31 Å²	31	49.4 Å²	49.4	32%	0.32	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-46.6	172.6	0	0	0	0	0	113	F220 Y226 N227 I228	F220-G224 PolarHBondContact O-N 3.03Å; G224-Y226 VanDerWaalsContact C-N 3.32Å; G224-Y226 PolarHBondContact O-N 3.01Å; G224-N227 PolarHBondContact O-N 3.3Å; G224-I228 VanDerWaalsContact O-CG1 3.29Å; G224-I228 WeakPolarHBondContact O-CG1 3.33Å; G224-I228 PolarHBondContact O-N 2.88Å
225	I	92.7	Very high	91.8	Very high	47 Å²	47	51.5 Å²	51.5	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-38.3	176.7	-65.7	164.7	0	0	0	110.9	R163 L166 V167 L170 A221 G222 D223 T229	R163-I225 HydrophobicContact CB-CG2 4.25Å; L166-I225 HydrophobicContact CD2-CD1 3.89Å; L166-I225 HydrophobicContact CG-CD1 4.47Å; V167-I225 HydrophobicContact CG2-CB 3.97Å; V167-I225 HydrophobicContact CG2-CG2 3.62Å; L170-I225 HydrophobicContact CD1-CD1 3.85Å; A221-I225 WeakPolarHBondContact O-CD1 3.48Å; A221-I225 VanDerWaalsContact O-CG1 3.23Å; A221-I225 WeakPolarHBondContact O-CG1 3.27Å; A221-I225 PolarHBondContact O-N 3.09Å; G222-I225 PolarHBondContact O-N 3.48Å; D223-I225 PolarHBondContact O-N 2.92Å; I225-T229 WeakPolarHBondContact O-CB 3.3Å; I225-T229 PolarHBondContact O-N 2.8Å; I225-T229 VanDerWaalsContact O-N 3.07Å; I225-T229 PolarHBondContact O-OG1 3.06Å
226	Y	92.1	Very high	91.6	Very high	2 Å²	2	57 Å²	57	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-53.5	176.4	-176.3	-93.7	0	0	0	111.4	V167 G222 D223 G224 I228 T229 M230 S277 N281	V167-Y226 HydrophobicContact CG1-CD2 4.14Å; G222-Y226 WeakPolarHBondContact O-CB 3.43Å; G222-Y226 PolarHBondContact O-N 3.25Å; D223-Y226 WeakPolarHBondContact O-CB 3.35Å; D223-Y226 PolarHBondContact O-N 3.44Å; G224-Y226 VanDerWaalsContact C-N 3.32Å; G224-Y226 PolarHBondContact O-N 3.01Å; Y226-I228 PolarHBondContact O-N 3.31Å; Y226-T229 WeakPolarHBondContact O-CA 3.3Å; Y226-T229 WeakPolarHBondContact O-CB 3.43Å; Y226-T229 PolarHBondContact O-N 2.93Å; Y226-M230 HydrophobicContact CD1-CG 4.08Å; Y226-M230 HydrophobicContact CD2-CE 4.48Å; Y226-M230 HydrophobicContact CE1-CG 3.55Å; Y226-M230 HydrophobicContact CE2-CE 3.8Å; Y226-M230 HydrophobicContact CE2-CG 4.16Å; Y226-M230 PolarHBondContact O-N 2.67Å; Y226-S277 PolarHBondContact OH-O 3.41Å; Y226-N281 HydrophobicContact CD1-CB 4.12Å; Y226-N281 HydrophobicContact CE1-CB 3.48Å; Y226-N281 VanDerWaalsContact CE1-CB 3.48Å; Y226-N281 HydrophobicContact CE2-CB 4.4Å; Y226-N281 PolarHBondContact OH-N 3.47Å
227	N	92.2	Very high	91.4	Very high	79 Å²	79	53.1 Å²	53.1	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-41.3	-179.2	-75.2	-45.4	0	0	0	112.4	D223 G224 T229 M230 G231	D223-N227 WeakPolarHBondContact O-CB 3.45Å; D223-N227 PolarHBondContact O-N 3.46Å; D223-N227 PolarHBondContact O-ND2 3.46Å; D223-N227 PolarHBondContact OD2-ND2 3.05Å; G224-N227 PolarHBondContact O-N 3.3Å; N227-T229 VanDerWaalsContact C-N 3.3Å; N227-T229 PolarHBondContact O-N 3.36Å; N227-M230 PolarHBondContact O-N 3.15Å; N227-G231 PolarHBondContact O-N 2.93Å
228	I	91.9	Very high	91.2	Very high	97 Å²	97	50.8 Å²	50.8	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-38.6	173.8	-67.8	166.6	0	0	0	111.1	G224 Y226 H232	G224-I228 VanDerWaalsContact O-CG1 3.29Å; G224-I228 WeakPolarHBondContact O-CG1 3.33Å; G224-I228 PolarHBondContact O-N 2.88Å; Y226-I228 PolarHBondContact O-N 3.31Å; I228-H232 PolarHBondContact O-CD2 2.94Å; I228-H232 PolarHBondContact O-N 3.22Å
229	T	91.1	Very high	91	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-70.1	-42.5	-179.4	-59.6	0	0	0	0	111.1	L157 K160 I225 Y226 N227 H232 M233	L157-T229 HydrophobicContact CD2-CG2 3.61Å; K160-T229 HydrophobicContact CB-CG2 4.24Å; K160-T229 HydrophobicContact CD-CG2 4.19Å; I225-T229 WeakPolarHBondContact O-CB 3.3Å; I225-T229 PolarHBondContact O-N 2.8Å; I225-T229 VanDerWaalsContact O-N 3.07Å; I225-T229 PolarHBondContact O-OG1 3.06Å; Y226-T229 WeakPolarHBondContact O-CA 3.3Å; Y226-T229 WeakPolarHBondContact O-CB 3.43Å; Y226-T229 PolarHBondContact O-N 2.93Å; N227-T229 VanDerWaalsContact C-N 3.3Å; N227-T229 PolarHBondContact O-N 3.36Å; T229-H232 PolarHBondContact O-N 2.77Å; T229-M233 PolarHBondContact O-N 3.33Å
230	M	89.9	Confident	90.9	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.034	29%	0.294	C	S	.	.	H	α-helix	trans	-69.7	-36.8	175.4	-69.2	-56.7	142	0	0	112.8	L157 L164 Y226 N227 H232 M233 H234 L280	L157-M230 HydrophobicContact CD1-CE 4.08Å; L157-M230 HydrophobicContact CD1-SD 4.46Å; L157-M230 HydrophobicContact CD2-CE 3.52Å; L157-M230 HydrophobicContact CD2-SD 4.2Å; L157-M230 HydrophobicContact CG-CE 4.47Å; L164-M230 HydrophobicContact CD2-CE 3.91Å; Y226-M230 HydrophobicContact CD1-CG 4.08Å; Y226-M230 HydrophobicContact CD2-CE 4.48Å; Y226-M230 HydrophobicContact CE1-CG 3.55Å; Y226-M230 HydrophobicContact CE2-CE 3.8Å; Y226-M230 HydrophobicContact CE2-CG 4.16Å; Y226-M230 PolarHBondContact O-N 2.67Å; N227-M230 PolarHBondContact O-N 3.15Å; M230-H232 VanDerWaalsContact C-N 3.3Å; M230-H232 PolarHBondContact O-N 2.81Å; M230-M233 WeakPolarHBondContact O-CA 3.34Å; M230-M233 WeakPolarHBondContact O-CB 3.43Å; M230-M233 PolarHBondContact O-N 3.34Å; M230-M233 HydrophobicContact SD-CE 3.93Å; M230-M233 HydrophobicContact SD-SD 4.09Å; M230-H234 PolarHBondContact O-N 2.9Å; M230-L280 HydrophobicContact CE-CD2 4.43Å
231	G	90.9	Very high	90.8	Very high	32 Å²	32	45.1 Å²	45.1	33%	0.33	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-37	174.4	0	0	0	0	0	113.2	N227 H234 S235	N227-G231 PolarHBondContact O-N 2.93Å; G231-H234 WeakPolarHBondContact O-CB 3.47Å; G231-H234 PolarHBondContact O-N 3.46Å; G231-S235 PolarHBondContact O-N 2.91Å; G231-S235 PolarHBondContact O-OG 3.34Å
232	H	89	Confident	90.6	Very high	111 Å²	111	48.8 Å²	48.8	51%	0.514	27%	0.267	S	S	.	.	H	α-helix	trans	-68.6	-36.6	172.5	-79.2	-130.6	0	0	0	112.8	K160 I228 T229 M230 H234 R236	K160-H232 PolarHBondContact NZ-CD2 3.14Å; K160-H232 PolarHBondContact NZ-CE1 3Å; K160-H232 PolarHBondContact NZ-ND1 3.43Å; K160-H232 PolarHBondContact NZ-NE2 3.42Å; I228-H232 PolarHBondContact O-CD2 2.94Å; I228-H232 PolarHBondContact O-N 3.22Å; T229-H232 PolarHBondContact O-N 2.77Å; M230-H232 VanDerWaalsContact C-N 3.3Å; M230-H232 PolarHBondContact O-N 2.81Å; H232-H234 VanDerWaalsContact C-N 3.35Å; H232-R236 WeakPolarHBondContact O-CB 3.42Å; H232-R236 PolarHBondContact O-N 2.89Å; H232-R236 VanDerWaalsContact O-N 3.11Å
233	M	87	Confident	90.6	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-46.5	173.6	-178.1	-162.4	70	0	0	109.9	F156 L157 T229 M230 R236 V237	F156-M233 HydrophobicContact CB-CG 4.27Å; L157-M233 HydrophobicContact CD1-CG 4.19Å; L157-M233 HydrophobicContact CD1-SD 3.47Å; L157-M233 WeakPolarHBondContact CD1-SD 3.24Å; L157-M233 HydrophobicContact CD2-CB 4.41Å; L157-M233 HydrophobicContact CG-CB 4.26Å; L157-M233 HydrophobicContact CG-CG 4.21Å; L157-M233 HydrophobicContact CG-SD 4.12Å; T229-M233 PolarHBondContact O-N 3.33Å; M230-M233 WeakPolarHBondContact O-CA 3.34Å; M230-M233 WeakPolarHBondContact O-CB 3.43Å; M230-M233 PolarHBondContact O-N 3.34Å; M230-M233 HydrophobicContact SD-CE 3.93Å; M230-M233 HydrophobicContact SD-SD 4.09Å; M233-R236 PolarHBondContact O-N 3.39Å; M233-V237 HydrophobicContact CG-CG2 4.37Å; M233-V237 WeakPolarHBondContact O-CG2 3.43Å; M233-V237 PolarHBondContact O-N 3.42Å
234	H	89.5	Confident	90.5	Very high	51 Å²	51	54.2 Å²	54.2	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-54	-56	177.4	-164.5	141.4	0	0	0	111.3	M230 G231 H232 R236 V237 H238 S270	M230-H234 PolarHBondContact O-N 2.9Å; G231-H234 WeakPolarHBondContact O-CB 3.47Å; G231-H234 PolarHBondContact O-N 3.46Å; H232-H234 VanDerWaalsContact C-N 3.35Å; H234-R236 VanDerWaalsContact C-N 3.29Å; H234-R236 PolarHBondContact O-N 3.31Å; H234-V237 PolarHBondContact O-N 3.1Å; H234-H238 AromaticContact CD2-CD2 3.1Å; H234-H238 PolarHBondContact CD2-CD2 3.43Å; H234-H238 AromaticContact CD2-NE2 3.44Å; H234-H238 PolarHBondContact CD2-NE2 2.91Å; H234-H238 AromaticContact NE2-CD2 3.25Å; H234-H238 PolarHBondContact NE2-CD2 3.15Å; H234-H238 VanDerWaalsContact NE2-CD2 3.25Å; H234-H238 AromaticContact NE2-NE2 3Å; H234-H238 PolarHBondContact NE2-NE2 3.39Å; H234-H238 PolarHBondContact O-CD2 3.27Å; H234-H238 PolarHBondContact O-N 2.69Å; H234-S270 PolarHBondContact CE1-OG 3.19Å
235	S	89.6	Confident	90.4	Very high	86 Å²	86	53.2 Å²	53.2	60%	0.601	28%	0.275	S	S	*	.	H	α-helix	trans	-61.9	-35.6	-179.6	-57.8	0	0	0	0	113	G231 G239	G231-S235 PolarHBondContact O-N 2.91Å; G231-S235 PolarHBondContact O-OG 3.34Å; S235-G239 PolarHBondContact O-N 3.01Å
236	R	90.1	Very high	90.2	Very high	122 Å²	122	56.2 Å²	56.2	46%	0.46	29%	0.291	S	S	.	.	H	α-helix	trans	-68.4	-46.3	177.8	-172.9	174.6	-175.5	170.2	4.1	111.6	F156 H232 M233 H234 G239 E240	F156-R236 HydrophobicContact CD1-CG 4.17Å; H232-R236 WeakPolarHBondContact O-CB 3.42Å; H232-R236 PolarHBondContact O-N 2.89Å; H232-R236 VanDerWaalsContact O-N 3.11Å; M233-R236 PolarHBondContact O-N 3.39Å; H234-R236 VanDerWaalsContact C-N 3.29Å; H234-R236 PolarHBondContact O-N 3.31Å; R236-G239 PolarHBondContact O-N 3.11Å; R236-E240 HydrophobicContact CG-CG 4.49Å; R236-E240 WeakPolarHBondContact O-CG 3.48Å; R236-E240 PolarHBondContact O-N 3.11Å
237	V	88	Confident	90	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-46.9	177.5	174.1	0	0	0	0	110.1	F156 M233 H234 G239 E240 V241 T269	F156-V237 HydrophobicContact CB-CG2 4.47Å; F156-V237 HydrophobicContact CD1-CG2 4.36Å; F156-V237 HydrophobicContact CD2-CG2 4.04Å; F156-V237 HydrophobicContact CE2-CG2 4.33Å; F156-V237 HydrophobicContact CG-CG2 4.04Å; M233-V237 HydrophobicContact CG-CG2 4.37Å; M233-V237 WeakPolarHBondContact O-CG2 3.43Å; M233-V237 PolarHBondContact O-N 3.42Å; H234-V237 PolarHBondContact O-N 3.1Å; V237-G239 VanDerWaalsContact C-N 3.35Å; V237-G239 PolarHBondContact O-N 3.14Å; V237-E240 PolarHBondContact O-N 3.37Å; V237-V241 HydrophobicContact CG1-CG2 4.12Å; V237-V241 WeakPolarHBondContact O-CB 3.44Å; V237-V241 WeakPolarHBondContact O-CG2 3.33Å; V237-V241 PolarHBondContact O-N 2.86Å; V237-T269 HydrophobicContact CG1-CG2 3.81Å
238	H	89	Confident	89.8	Confident	43 Å²	43	56.7 Å²	56.7	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-44.2	175.6	-91.1	-100.6	0	0	0	112.7	H234 F242 V265 T266 S270	H234-H238 AromaticContact CD2-CD2 3.1Å; H234-H238 PolarHBondContact CD2-CD2 3.43Å; H234-H238 AromaticContact CD2-NE2 3.44Å; H234-H238 PolarHBondContact CD2-NE2 2.91Å; H234-H238 AromaticContact NE2-CD2 3.25Å; H234-H238 PolarHBondContact NE2-CD2 3.15Å; H234-H238 VanDerWaalsContact NE2-CD2 3.25Å; H234-H238 AromaticContact NE2-NE2 3Å; H234-H238 PolarHBondContact NE2-NE2 3.39Å; H234-H238 PolarHBondContact O-CD2 3.27Å; H234-H238 PolarHBondContact O-N 2.69Å; H238-F242 WeakPolarHBondContact O-CB 3.45Å; H238-F242 PolarHBondContact O-N 3.26Å; H238-V265 PolarHBondContact CE1-O 3.12Å; H238-V265 PolarHBondContact ND1-O 2.9Å; H238-T266 PolarHBondContact CE1-O 2.75Å; H238-S270 PolarHBondContact NE2-N 2.86Å
239	G	90.7	Very high	89.6	Confident	40 Å²	40	53.7 Å²	53.7	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-44.1	178.4	0	0	0	0	0	112.9	S235 R236 V237 R243	S235-G239 PolarHBondContact O-N 3.01Å; R236-G239 PolarHBondContact O-N 3.11Å; V237-G239 VanDerWaalsContact C-N 3.35Å; V237-G239 PolarHBondContact O-N 3.14Å; G239-R243 VanDerWaalsContact O-CB 3.22Å; G239-R243 WeakPolarHBondContact O-CB 3.4Å; G239-R243 PolarHBondContact O-N 2.87Å
240	E	90.5	Very high	89.3	Confident	82 Å²	82	55.8 Å²	55.8	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-70.1	-41.2	178.5	-67.7	-67.9	169.5	0	0	112.2	F156 R236 V237 R243 A244 L459	F156-E240 HydrophobicContact CE1-CG 4.28Å; R236-E240 HydrophobicContact CG-CG 4.49Å; R236-E240 WeakPolarHBondContact O-CG 3.48Å; R236-E240 PolarHBondContact O-N 3.11Å; V237-E240 PolarHBondContact O-N 3.37Å; E240-R243 PolarHBondContact O-N 3.27Å; E240-A244 WeakPolarHBondContact O-CB 3.31Å; E240-A244 PolarHBondContact O-N 3.06Å; E240-L459 HydrophobicContact CB-CD2 4.1Å
241	V	90.8	Very high	89.1	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-46.6	176.7	172.5	0	0	0	0	110.4	V237 R243 A244 V245 V265 T269 I455 L459	V237-V241 HydrophobicContact CG1-CG2 4.12Å; V237-V241 WeakPolarHBondContact O-CB 3.44Å; V237-V241 WeakPolarHBondContact O-CG2 3.33Å; V237-V241 PolarHBondContact O-N 2.86Å; V241-R243 VanDerWaalsContact C-N 3.33Å; V241-R243 PolarHBondContact O-N 2.83Å; V241-A244 PolarHBondContact O-N 3.31Å; V241-V245 WeakPolarHBondContact O-CG2 3.33Å; V241-V245 PolarHBondContact O-N 3.06Å; V241-V265 HydrophobicContact CG1-CB 4.44Å; V241-V265 HydrophobicContact CG1-CG1 4.21Å; V241-V265 HydrophobicContact CG1-CG2 4.07Å; V241-T269 HydrophobicContact CG2-CG2 4.39Å; V241-I455 HydrophobicContact CG2-CG2 3.51Å; V241-L459 HydrophobicContact CB-CD2 4.38Å; V241-L459 HydrophobicContact CG2-CD1 3.93Å; V241-L459 HydrophobicContact CG2-CD2 3.82Å; V241-L459 HydrophobicContact CG2-CG 3.86Å
242	F	91.4	Very high	88.8	Confident	118 Å²	118	54.5 Å²	54.5	52%	0.518	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-43.1	176.3	-175.9	-105.1	0	0	0	111.4	H238 V245 L246 V265	H238-F242 WeakPolarHBondContact O-CB 3.45Å; H238-F242 PolarHBondContact O-N 3.26Å; F242-V245 PolarHBondContact O-N 3.44Å; F242-L246 HydrophobicContact CD1-CD1 3.89Å; F242-L246 HydrophobicContact CD1-CG 4.49Å; F242-L246 HydrophobicContact CE1-CD1 3.39Å; F242-L246 HydrophobicContact CE1-CG 4.18Å; F242-L246 HydrophobicContact CZ-CD1 3.81Å; F242-L246 HydrophobicContact CZ-CD2 4.47Å; F242-L246 HydrophobicContact CZ-CG 4.26Å; F242-L246 WeakPolarHBondContact O-CG 3.17Å; F242-L246 PolarHBondContact O-N 3.02Å; F242-L246 VanDerWaalsContact O-N 3.09Å; F242-V265 HydrophobicContact CB-CG1 4.3Å; F242-V265 HydrophobicContact CD2-CG1 4.21Å
243	R	91.1	Very high	88.8	Confident	151 Å²	151	52.6 Å²	52.6	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-47	175.3	-174.2	-179.9	-174.5	119.5	4.9	111.8	G239 E240 V241 V245 L246 H247	G239-R243 VanDerWaalsContact O-CB 3.22Å; G239-R243 WeakPolarHBondContact O-CB 3.4Å; G239-R243 PolarHBondContact O-N 2.87Å; E240-R243 PolarHBondContact O-N 3.27Å; V241-R243 VanDerWaalsContact C-N 3.33Å; V241-R243 PolarHBondContact O-N 2.83Å; R243-V245 VanDerWaalsContact C-N 3.34Å; R243-V245 PolarHBondContact O-N 3.01Å; R243-L246 PolarHBondContact O-N 2.92Å; R243-H247 PolarHBondContact O-N 3.44Å; R243-H247 VanDerWaalsContact O-N 3.14Å; R243-H247 PolarHBondContact O-ND1 3.12Å
244	A	89.8	Confident	88.6	Confident	24 Å²	24	55.8 Å²	55.8	20%	0.198	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-44	179.6	0	0	0	0	0	111.6	E240 V241 L246 H247 Q248 L459	E240-A244 WeakPolarHBondContact O-CB 3.31Å; E240-A244 PolarHBondContact O-N 3.06Å; V241-A244 PolarHBondContact O-N 3.31Å; A244-L246 PolarHBondContact O-N 3.26Å; A244-H247 PolarHBondContact O-N 3.02Å; A244-Q248 PolarHBondContact O-N 3.42Å; A244-L459 HydrophobicContact CB-CD2 4Å
245	V	90.5	Very high	88.4	Confident	10 Å²	10	58.9 Å²	58.9	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-44.7	175.7	169.6	0	0	0	0	111.9	V241 F242 R243 H247 Q248 F253 I261 V265 Y458	V241-V245 WeakPolarHBondContact O-CG2 3.33Å; V241-V245 PolarHBondContact O-N 3.06Å; F242-V245 PolarHBondContact O-N 3.44Å; R243-V245 VanDerWaalsContact C-N 3.34Å; R243-V245 PolarHBondContact O-N 3.01Å; V245-H247 PolarHBondContact O-N 3.43Å; V245-Q248 WeakPolarHBondContact O-CB 3.32Å; V245-Q248 PolarHBondContact O-N 3.14Å; V245-Q248 VanDerWaalsContact O-N 3.15Å; V245-F253 HydrophobicContact CG1-CE1 3.93Å; V245-F253 HydrophobicContact CG1-CZ 3.85Å; V245-F253 VanDerWaalsContact O-CZ 3.28Å; V245-F253 WeakPolarHBondContact O-CZ 3.37Å; V245-I261 HydrophobicContact CG1-CG2 3.64Å; V245-I261 HydrophobicContact CG2-CG2 4.43Å; V245-V265 HydrophobicContact CG2-CG2 3.74Å; V245-Y458 HydrophobicContact CG2-CD1 3.71Å; V245-Y458 HydrophobicContact CG2-CE1 4.25Å
246	L	89.1	Confident	88.1	Confident	109 Å²	109	56.4 Å²	56.4	57%	0.571	27%	0.274	S	S	*	.	H	α-helix	trans	-65.7	-24.9	179	-72.6	-179.1	0	0	0	114	F242 R243 A244 Q248	F242-L246 HydrophobicContact CD1-CD1 3.89Å; F242-L246 HydrophobicContact CD1-CG 4.49Å; F242-L246 HydrophobicContact CE1-CD1 3.39Å; F242-L246 HydrophobicContact CE1-CG 4.18Å; F242-L246 HydrophobicContact CZ-CD1 3.81Å; F242-L246 HydrophobicContact CZ-CD2 4.47Å; F242-L246 HydrophobicContact CZ-CG 4.26Å; F242-L246 WeakPolarHBondContact O-CG 3.17Å; F242-L246 PolarHBondContact O-N 3.02Å; F242-L246 VanDerWaalsContact O-N 3.09Å; R243-L246 PolarHBondContact O-N 2.92Å; A244-L246 PolarHBondContact O-N 3.26Å; L246-Q248 VanDerWaalsContact C-N 3.31Å
247	H	87.6	Confident	87.9	Confident	79 Å²	79	55 Å²	55	37%	0.366	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.4	177.6	-75.4	70.5	0	0	0	112.5	R243 A244 V245 P463 L467	R243-H247 PolarHBondContact O-N 3.44Å; R243-H247 VanDerWaalsContact O-N 3.14Å; R243-H247 PolarHBondContact O-ND1 3.12Å; A244-H247 PolarHBondContact O-N 3.02Å; V245-H247 PolarHBondContact O-N 3.43Å; H247-P463 WeakPolarHBondContact O-CG 3.22Å; H247-L467 HydrophobicContact CB-CD2 3.86Å; H247-L467 WeakPolarHBondContact O-CD2 3.24Å
248	Q	88.7	Confident	87.9	Confident	13 Å²	13	59.6 Å²	59.6	6%	0.061	31%	0.309	C	S	.	.	S	Bend	trans	-74.5	150.8	179.7	-158.8	63.9	36.5	0	0	112	A244 V245 L246 F252 F253 R461	A244-Q248 PolarHBondContact O-N 3.42Å; V245-Q248 WeakPolarHBondContact O-CB 3.32Å; V245-Q248 PolarHBondContact O-N 3.14Å; V245-Q248 VanDerWaalsContact O-N 3.15Å; L246-Q248 VanDerWaalsContact C-N 3.31Å; Q248-F252 HydrophobicContact CB-CB 4.22Å; Q248-F252 HydrophobicContact CB-CD1 4.14Å; Q248-F252 HydrophobicContact CB-CG 4.25Å; Q248-F252 HydrophobicContact CG-CB 3.34Å; Q248-F252 HydrophobicContact CG-CD1 3.78Å; Q248-F252 HydrophobicContact CG-CD2 3.96Å; Q248-F252 HydrophobicContact CG-CG 3.42Å; Q248-F252 VanDerWaalsContact CG-CG 3.42Å; Q248-F253 HydrophobicContact CB-CE2 4.41Å; Q248-R461 VanDerWaalsContact CD-NE 3.3Å; Q248-R461 PolarHBondContact OE1-O 3.4Å
249	E	86.6	Confident	87.8	Confident	33 Å²	33	60.1 Å²	60.1	15%	0.154	33%	0.326	C	S	.	.			trans	-58.7	151.2	176.1	67.2	-76.6	162.7	0	0	113.3	G251 F252 R461 P463 C464	E249-G251 PolarHBondContact O-N 2.9Å; E249-G251 VanDerWaalsContact O-N 3.12Å; E249-F252 HydrophobicContact CG-CB 4.47Å; E249-F252 WeakPolarHBondContact O-CB 3.48Å; E249-F252 PolarHBondContact O-N 3.4Å; E249-R461 IonicContact OE1-CZ 3.32Å; E249-R461 IonicContact OE1-NE 2.74Å; E249-R461 IonicContact OE1-NH2 3.74Å; E249-R461 PolarHBondContact OE1-NH2 3.23Å; E249-P463 WeakPolarHBondContact OE2-CA 3.43Å; E249-C464 PolarHBondContact OE2-N 3.05Å
250	T	86.3	Confident	87.7	Confident	46 Å²	46	60 Å²	60	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-31.3	176.5	63.6	0	0	0	0	113	F252 F253 L254 L531 Y532	T250-F252 PolarHBondContact O-N 3.21Å; T250-F253 WeakPolarHBondContact O-CB 3.47Å; T250-F253 PolarHBondContact O-N 3.33Å; T250-F253 VanDerWaalsContact O-N 3.1Å; T250-L254 PolarHBondContact O-N 2.96Å; T250-L531 HydrophobicContact CG2-CB 4.13Å; T250-L531 HydrophobicContact CG2-CD2 4.16Å; T250-L531 PolarHBondContact OG1-O 3.36Å; T250-Y532 VanDerWaalsContact OG1-CE1 3.25Å; T250-Y532 WeakPolarHBondContact OG1-CE1 3.34Å
251	G	84.2	Confident	87.6	Confident	5 Å²	5	56.5 Å²	56.5	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-24.5	174.9	0	0	0	0	0	114.2	E249 L254 K255	E249-G251 PolarHBondContact O-N 2.9Å; E249-G251 VanDerWaalsContact O-N 3.12Å; G251-L254 PolarHBondContact O-N 2.93Å; G251-K255 PolarHBondContact O-N 2.98Å
252	F	85.9	Confident	87.6	Confident	7 Å²	7	59.9 Å²	59.9	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-41.4	173.4	175.6	-101.4	0	0	0	112.1	Q248 E249 T250 L254 K255 N256 I261 Y458 R461	Q248-F252 HydrophobicContact CB-CB 4.22Å; Q248-F252 HydrophobicContact CB-CD1 4.14Å; Q248-F252 HydrophobicContact CB-CG 4.25Å; Q248-F252 HydrophobicContact CG-CB 3.34Å; Q248-F252 HydrophobicContact CG-CD1 3.78Å; Q248-F252 HydrophobicContact CG-CD2 3.96Å; Q248-F252 HydrophobicContact CG-CG 3.42Å; Q248-F252 VanDerWaalsContact CG-CG 3.42Å; E249-F252 HydrophobicContact CG-CB 4.47Å; E249-F252 WeakPolarHBondContact O-CB 3.48Å; E249-F252 PolarHBondContact O-N 3.4Å; T250-F252 PolarHBondContact O-N 3.21Å; F252-L254 VanDerWaalsContact C-N 3.25Å; F252-L254 PolarHBondContact O-N 3.24Å; F252-K255 PolarHBondContact O-N 2.91Å; F252-N256 WeakPolarHBondContact CD2-ND2 3.29Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.43Å; F252-N256 PolarHBondContact O-N 3.16Å; F252-N256 PolarHBondContact O-ND2 3.29Å; F252-I261 HydrophobicContact CD1-CD1 4.21Å; F252-I261 HydrophobicContact CE1-CD1 3.83Å; F252-I261 HydrophobicContact CE1-CG1 4.23Å; F252-Y458 HydrophobicContact CE1-CD1 4.48Å; F252-Y458 AromaticContact CE1-CE1 3.89Å; F252-Y458 HydrophobicContact CE1-CE1 3.89Å; F252-Y458 HydrophobicContact CE2-CE1 4.47Å; F252-Y458 AromaticContact CZ-CD1 3.99Å; F252-Y458 HydrophobicContact CZ-CD1 3.99Å; F252-Y458 AromaticContact CZ-CE1 3.36Å; F252-Y458 HydrophobicContact CZ-CE1 3.36Å; F252-Y458 AromaticContact CZ-CZ 3.85Å; F252-R461 VanDerWaalsContact CD2-CZ 3.44Å
253	F	87.6	Confident	87.4	Confident	72 Å²	72	56.1 Å²	56.1	32%	0.316	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-23.4	177.3	-64.4	-88.6	0	0	0	112.2	V245 Q248 T250 I261	V245-F253 HydrophobicContact CG1-CE1 3.93Å; V245-F253 HydrophobicContact CG1-CZ 3.85Å; V245-F253 VanDerWaalsContact O-CZ 3.28Å; V245-F253 WeakPolarHBondContact O-CZ 3.37Å; Q248-F253 HydrophobicContact CB-CE2 4.41Å; T250-F253 WeakPolarHBondContact O-CB 3.47Å; T250-F253 PolarHBondContact O-N 3.33Å; T250-F253 VanDerWaalsContact O-N 3.1Å; F253-I261 HydrophobicContact CD1-CD1 3.53Å; F253-I261 HydrophobicContact CE1-CD1 3.94Å; F253-I261 HydrophobicContact CG-CD1 4.33Å
254	L	84.1	Confident	87.1	Confident	74 Å²	74	53.1 Å²	53.1	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-74.9	-34.3	172.1	-158.8	73.7	0	0	0	112.1	T250 G251 F252 Y489 N491	T250-L254 PolarHBondContact O-N 2.96Å; G251-L254 PolarHBondContact O-N 2.93Å; F252-L254 VanDerWaalsContact C-N 3.25Å; F252-L254 PolarHBondContact O-N 3.24Å; L254-Y489 HydrophobicContact CD2-CD1 4.02Å; L254-Y489 HydrophobicContact CD2-CG 4.5Å; L254-N491 HydrophobicContact CD2-CB 4.26Å; L254-N491 WeakPolarHBondContact CG-ND2 3.47Å; L254-N491 PolarHBondContact O-ND2 3.24Å
255	K	83.8	Confident	87	Confident	117 Å²	117	52.6 Å²	52.6	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-78.1	-30.2	178.4	-73.4	-177	179.5	-176.4	0	113.2	G251 F252 P490 N491	G251-K255 PolarHBondContact O-N 2.98Å; F252-K255 PolarHBondContact O-N 2.91Å; K255-P490 WeakPolarHBondContact CE-O 3.24Å; K255-P490 PolarHBondContact NZ-O 3.12Å; K255-N491 WeakPolarHBondContact CG-OD1 3.36Å
256	N	84.8	Confident	87	Confident	34 Å²	34	55.3 Å²	55.3	18%	0.182	31%	0.311	C	S	.	.	S	Bend	trans	-118.4	115.8	-174.5	-60.6	-81.7	0	0	0	109.4	F252 T258 I261	F252-N256 WeakPolarHBondContact CD2-ND2 3.29Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.43Å; F252-N256 PolarHBondContact O-N 3.16Å; F252-N256 PolarHBondContact O-ND2 3.29Å; N256-T258 PolarHBondContact O-N 3.3Å; N256-I261 HydrophobicContact CB-CD1 3.94Å; N256-I261 HydrophobicContact CB-CG1 3.86Å; N256-I261 WeakPolarHBondContact O-CD1 3.38Å
257	P	86.1	Confident	87	Confident	93 Å²	93	55.4 Å²	55.4	60%	0.604	31%	0.308	S	S	*	.			trans	-53.9	138.5	178	-25.5	33.2	0	0	0	111.7	G259 S260 I261	P257-G259 VanDerWaalsContact C-N 3.25Å; P257-G259 PolarHBondContact O-N 2.91Å; P257-G259 VanDerWaalsContact O-N 3.16Å; P257-S260 WeakPolarHBondContact O-CA 3.48Å; P257-S260 WeakPolarHBondContact O-CB 3.36Å; P257-S260 PolarHBondContact O-N 3.34Å; P257-S260 PolarHBondContact O-OG 3.18Å; P257-I261 PolarHBondContact O-N 3.05Å
258	T	87.2	Confident	87	Confident	99 Å²	99	54.5 Å²	54.5	61%	0.607	31%	0.306	S	S	*	.	H	α-helix	trans	-52.2	-42.8	-177.3	-49.7	0	0	0	0	112.5	N256 S260 I261 T262	N256-T258 PolarHBondContact O-N 3.3Å; T258-S260 VanDerWaalsContact C-N 3.27Å; T258-S260 PolarHBondContact O-N 3.33Å; T258-I261 PolarHBondContact O-N 3.13Å; T258-I261 VanDerWaalsContact O-N 3.11Å; T258-T262 PolarHBondContact O-N 3.1Å; T258-T262 PolarHBondContact O-OG1 3.43Å; T258-T262 VanDerWaalsContact O-OG1 3.06Å
259	G	88	Confident	86.9	Confident	54 Å²	54	54 Å²	54	56%	0.557	30%	0.304	S	S	*	.	H	α-helix	trans	-59.6	-34.2	177.2	0	0	0	0	0	113.9	P257 S263	P257-G259 VanDerWaalsContact C-N 3.25Å; P257-G259 PolarHBondContact O-N 2.91Å; P257-G259 VanDerWaalsContact O-N 3.16Å; G259-S263 WeakPolarHBondContact O-CB 3.36Å; G259-S263 PolarHBondContact O-N 3.45Å
260	S	87.2	Confident	87.1	Confident	38 Å²	38	54 Å²	54	27%	0.266	31%	0.308	S	S	.	.	H	α-helix	trans	-72	-37.2	176	74.4	0	0	0	0	112.4	P257 T258 R264	P257-S260 WeakPolarHBondContact O-CA 3.48Å; P257-S260 WeakPolarHBondContact O-CB 3.36Å; P257-S260 PolarHBondContact O-N 3.34Å; P257-S260 PolarHBondContact O-OG 3.18Å; T258-S260 VanDerWaalsContact C-N 3.27Å; T258-S260 PolarHBondContact O-N 3.33Å; S260-R264 WeakPolarHBondContact O-CB 3.38Å; S260-R264 WeakPolarHBondContact O-CD 3.17Å; S260-R264 WeakPolarHBondContact O-CG 3.46Å; S260-R264 PolarHBondContact O-N 3.47Å; S260-R264 VanDerWaalsContact O-N 3.11Å
261	I	88.8	Confident	87.3	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.036	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-45.8	174.7	-60.2	172.6	0	0	0	109.1	V245 F252 F253 N256 P257 T258 R264 V265	V245-I261 HydrophobicContact CG1-CG2 3.64Å; V245-I261 HydrophobicContact CG2-CG2 4.43Å; F252-I261 HydrophobicContact CD1-CD1 4.21Å; F252-I261 HydrophobicContact CE1-CD1 3.83Å; F252-I261 HydrophobicContact CE1-CG1 4.23Å; F253-I261 HydrophobicContact CD1-CD1 3.53Å; F253-I261 HydrophobicContact CE1-CD1 3.94Å; F253-I261 HydrophobicContact CG-CD1 4.33Å; N256-I261 HydrophobicContact CB-CD1 3.94Å; N256-I261 HydrophobicContact CB-CG1 3.86Å; N256-I261 WeakPolarHBondContact O-CD1 3.38Å; P257-I261 PolarHBondContact O-N 3.05Å; T258-I261 PolarHBondContact O-N 3.13Å; T258-I261 VanDerWaalsContact O-N 3.11Å; I261-R264 PolarHBondContact O-N 3.46Å; I261-V265 HydrophobicContact CG2-CG2 4.13Å; I261-V265 WeakPolarHBondContact O-CB 3.47Å; I261-V265 VanDerWaalsContact O-CG2 3.23Å; I261-V265 WeakPolarHBondContact O-CG2 3.5Å; I261-V265 PolarHBondContact O-N 3.31Å
262	T	90.2	Very high	87.4	Confident	74 Å²	74	56.2 Å²	56.2	45%	0.454	32%	0.317	S	S	.	.	H	α-helix	trans	-57.7	-56	178.5	-58.2	0	0	0	0	111.3	T258 R264 V265 T266	T258-T262 PolarHBondContact O-N 3.1Å; T258-T262 PolarHBondContact O-OG1 3.43Å; T258-T262 VanDerWaalsContact O-OG1 3.06Å; T262-R264 VanDerWaalsContact C-N 3.28Å; T262-R264 PolarHBondContact O-N 3.03Å; T262-V265 PolarHBondContact O-N 2.8Å; T262-V265 VanDerWaalsContact O-N 3.16Å; T262-T266 PolarHBondContact O-N 3.04Å; T262-T266 PolarHBondContact O-OG1 2.93Å
263	S	88.7	Confident	87.5	Confident	39 Å²	39	55.9 Å²	55.9	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-58.7	-37.6	179.1	170.9	0	0	0	0	112.1	G259 E267 D268	G259-S263 WeakPolarHBondContact O-CB 3.36Å; G259-S263 PolarHBondContact O-N 3.45Å; S263-E267 WeakPolarHBondContact O-CA 3.39Å; S263-E267 WeakPolarHBondContact O-CB 3.44Å; S263-E267 PolarHBondContact O-N 3.48Å; S263-E267 PolarHBondContact OG-OE2 3.29Å; S263-D268 PolarHBondContact O-N 3.39Å
264	R	84.4	Confident	87.6	Confident	89 Å²	89	57.3 Å²	57.3	34%	0.336	32%	0.323	S	S	.	.	I	π-helix	trans	-65.9	-44	175.4	-75	174.4	-177.9	-164.4	1.3	113.2	S260 I261 T262 D268 T269 Y458	S260-R264 WeakPolarHBondContact O-CB 3.38Å; S260-R264 WeakPolarHBondContact O-CD 3.17Å; S260-R264 WeakPolarHBondContact O-CG 3.46Å; S260-R264 PolarHBondContact O-N 3.47Å; S260-R264 VanDerWaalsContact O-N 3.11Å; I261-R264 PolarHBondContact O-N 3.46Å; T262-R264 VanDerWaalsContact C-N 3.28Å; T262-R264 PolarHBondContact O-N 3.03Å; R264-D268 WeakPolarHBondContact CG-OD2 3.23Å; R264-D268 WeakPolarHBondContact O-CB 3.13Å; R264-T269 PolarHBondContact O-N 3.43Å; R264-T269 PolarHBondContact O-OG1 2.99Å; R264-Y458 WeakPolarHBondContact CD-OH 3.34Å; R264-Y458 PolarHBondContact NH1-OH 3.12Å
265	V	87.6	Confident	87.9	Confident	13 Å²	13	55.3 Å²	55.3	8%	0.079	32%	0.315	C	S	.	.	I	π-helix	trans	-72.5	-32.7	-179	174.6	0	0	0	0	111.7	H238 V241 F242 V245 I261 T262 T269	H238-V265 PolarHBondContact CE1-O 3.12Å; H238-V265 PolarHBondContact ND1-O 2.9Å; V241-V265 HydrophobicContact CG1-CB 4.44Å; V241-V265 HydrophobicContact CG1-CG1 4.21Å; V241-V265 HydrophobicContact CG1-CG2 4.07Å; F242-V265 HydrophobicContact CB-CG1 4.3Å; F242-V265 HydrophobicContact CD2-CG1 4.21Å; V245-V265 HydrophobicContact CG2-CG2 3.74Å; I261-V265 HydrophobicContact CG2-CG2 4.13Å; I261-V265 WeakPolarHBondContact O-CB 3.47Å; I261-V265 VanDerWaalsContact O-CG2 3.23Å; I261-V265 WeakPolarHBondContact O-CG2 3.5Å; I261-V265 PolarHBondContact O-N 3.31Å; T262-V265 PolarHBondContact O-N 2.8Å; T262-V265 VanDerWaalsContact O-N 3.16Å; V265-T269 VanDerWaalsContact O-CB 3.3Å; V265-T269 WeakPolarHBondContact O-CB 3.46Å; V265-T269 PolarHBondContact O-OG1 3.35Å
266	T	89.4	Confident	88	Confident	66 Å²	66	50.1 Å²	50.1	41%	0.405	29%	0.293	S	S	.	.	I	π-helix	trans	-96.3	-68	-178.3	59.1	0	0	0	0	111.9	H238 T262 S270	H238-T266 PolarHBondContact CE1-O 2.75Å; T262-T266 PolarHBondContact O-N 3.04Å; T262-T266 PolarHBondContact O-OG1 2.93Å; T266-S270 WeakPolarHBondContact O-CB 3.42Å; T266-S270 PolarHBondContact O-N 3.41Å
267	E	89.8	Confident	88.2	Confident	111 Å²	111	49.1 Å²	49.1	52%	0.519	29%	0.289	S	S	.	.	I	π-helix	trans	-72.7	-52.2	-171.4	-60.6	174.3	162.2	0	0	112.1	S263 T269 S270 N271	S263-E267 WeakPolarHBondContact O-CA 3.39Å; S263-E267 WeakPolarHBondContact O-CB 3.44Å; S263-E267 PolarHBondContact O-N 3.48Å; S263-E267 PolarHBondContact OG-OE2 3.29Å; E267-T269 VanDerWaalsContact C-N 3.31Å; E267-T269 PolarHBondContact O-N 2.94Å; E267-S270 PolarHBondContact O-N 3.21Å; E267-N271 WeakPolarHBondContact O-CB 3.35Å; E267-N271 PolarHBondContact O-N 3.15Å; E267-N271 PolarHBondContact O-ND2 3.18Å; E267-N271 VanDerWaalsContact O-ND2 3.11Å
268	D	86.8	Confident	88.4	Confident	61 Å²	61	48.3 Å²	48.3	33%	0.326	28%	0.279	S	S	.	.	I	π-helix	trans	-63.7	-41.1	-178.4	-73.7	-16.9	0	0	0	110.8	S263 R264 V272	S263-D268 PolarHBondContact O-N 3.39Å; R264-D268 WeakPolarHBondContact CG-OD2 3.23Å; R264-D268 WeakPolarHBondContact O-CB 3.13Å; D268-V272 WeakPolarHBondContact O-CB 3.48Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å; D268-V272 PolarHBondContact O-N 2.95Å
269	T	87.8	Confident	88.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-44.5	177.4	-55.6	0	0	0	0	111.5	V237 V241 R264 V265 E267 V272 C273 I455	V237-T269 HydrophobicContact CG1-CG2 3.81Å; V241-T269 HydrophobicContact CG2-CG2 4.39Å; R264-T269 PolarHBondContact O-N 3.43Å; R264-T269 PolarHBondContact O-OG1 2.99Å; V265-T269 VanDerWaalsContact O-CB 3.3Å; V265-T269 WeakPolarHBondContact O-CB 3.46Å; V265-T269 PolarHBondContact O-OG1 3.35Å; E267-T269 VanDerWaalsContact C-N 3.31Å; E267-T269 PolarHBondContact O-N 2.94Å; T269-V272 PolarHBondContact O-N 2.84Å; T269-C273 WeakPolarHBondContact O-CB 3.32Å; T269-C273 PolarHBondContact O-N 2.79Å; T269-C273 PolarHBondContact O-SG 2.91Å; T269-I455 HydrophobicContact CG2-CD1 4.45Å
270	S	90.8	Very high	88.4	Confident	35 Å²	35	45.8 Å²	45.8	25%	0.245	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-48.8	176	-170.7	0	0	0	0	111.7	H234 H238 T266 E267 V272 C273 E274	H234-S270 PolarHBondContact CE1-OG 3.19Å; H238-S270 PolarHBondContact NE2-N 2.86Å; T266-S270 WeakPolarHBondContact O-CB 3.42Å; T266-S270 PolarHBondContact O-N 3.41Å; E267-S270 PolarHBondContact O-N 3.21Å; S270-V272 VanDerWaalsContact C-N 3.31Å; S270-V272 PolarHBondContact O-N 3.48Å; S270-C273 PolarHBondContact O-N 3.38Å; S270-E274 VanDerWaalsContact O-CB 3.24Å; S270-E274 WeakPolarHBondContact O-CB 3.29Å; S270-E274 PolarHBondContact O-N 3.31Å
271	N	89.3	Confident	88.5	Confident	91 Å²	91	45 Å²	45	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-41	-179.2	-73.3	-28.5	0	0	0	111.8	E267 S275	E267-N271 WeakPolarHBondContact O-CB 3.35Å; E267-N271 PolarHBondContact O-N 3.15Å; E267-N271 PolarHBondContact O-ND2 3.18Å; E267-N271 VanDerWaalsContact O-ND2 3.11Å; N271-S275 WeakPolarHBondContact O-CB 3.27Å; N271-S275 PolarHBondContact O-N 3.29Å
272	V	87.3	Confident	88.6	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-47.3	177	171	0	0	0	0	110.8	M153 D268 T269 S270 S275 I276 A451 I455	M153-V272 HydrophobicContact CE-CG1 3.84Å; M153-V272 HydrophobicContact SD-CG1 4.34Å; D268-V272 WeakPolarHBondContact O-CB 3.48Å; D268-V272 WeakPolarHBondContact O-CG2 3.44Å; D268-V272 PolarHBondContact O-N 2.95Å; T269-V272 PolarHBondContact O-N 2.84Å; S270-V272 VanDerWaalsContact C-N 3.31Å; S270-V272 PolarHBondContact O-N 3.48Å; V272-S275 PolarHBondContact O-N 3.24Å; V272-I276 HydrophobicContact CG1-CD1 3.69Å; V272-I276 HydrophobicContact CG1-CG1 4.48Å; V272-I276 WeakPolarHBondContact O-CB 3.41Å; V272-I276 VanDerWaalsContact O-CG1 3.28Å; V272-I276 WeakPolarHBondContact O-CG1 3.49Å; V272-I276 PolarHBondContact O-N 3.42Å; V272-A451 HydrophobicContact CG2-CB 3.6Å; V272-I455 HydrophobicContact CB-CD1 3.68Å; V272-I455 HydrophobicContact CG1-CD1 3.96Å; V272-I455 HydrophobicContact CG2-CD1 3.72Å
273	C	88.3	Confident	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-46.3	179.4	-78.2	0	0	0	0	112.4	T269 S270 S277	T269-C273 WeakPolarHBondContact O-CB 3.32Å; T269-C273 PolarHBondContact O-N 2.79Å; T269-C273 PolarHBondContact O-SG 2.91Å; S270-C273 PolarHBondContact O-N 3.38Å; C273-S277 VanDerWaalsContact O-CB 3.3Å; C273-S277 WeakPolarHBondContact O-CB 3.45Å; C273-S277 PolarHBondContact O-N 3.49Å; C273-S277 PolarHBondContact O-OG 2.84Å
274	E	89.9	Confident	88.6	Confident	103 Å²	103	48.2 Å²	48.2	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-48.8	176.7	-175.8	176.8	-175.6	0	0	110.5	S270 I276 S277 D278	S270-E274 VanDerWaalsContact O-CB 3.24Å; S270-E274 WeakPolarHBondContact O-CB 3.29Å; S270-E274 PolarHBondContact O-N 3.31Å; E274-I276 PolarHBondContact O-N 2.9Å; E274-S277 PolarHBondContact O-N 2.91Å; E274-D278 WeakPolarHBondContact O-CB 3.47Å; E274-D278 PolarHBondContact O-N 2.92Å
275	S	89.2	Confident	88.8	Confident	32 Å²	32	46.2 Å²	46.2	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-44.7	179	-171.9	0	0	0	0	112.2	N271 V272 K279 S448	N271-S275 WeakPolarHBondContact O-CB 3.27Å; N271-S275 PolarHBondContact O-N 3.29Å; V272-S275 PolarHBondContact O-N 3.24Å; S275-K279 VanDerWaalsContact O-CB 3.27Å; S275-K279 WeakPolarHBondContact O-CB 3.46Å; S275-K279 WeakPolarHBondContact O-CG 3.21Å; S275-K279 PolarHBondContact O-N 3.22Å; S275-S448 PolarHBondContact OG-OG 3.1Å
276	I	86.4	Confident	88.9	Confident	8 Å²	8	48.8 Å²	48.8	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-43.1	177.6	-69.7	172.6	0	0	0	110.9	M153 V272 E274 L280 M445	M153-I276 HydrophobicContact CE-CD1 3.81Å; M153-I276 HydrophobicContact SD-CD1 3.18Å; M153-I276 WeakPolarHBondContact SD-CD1 3.35Å; V272-I276 HydrophobicContact CG1-CD1 3.69Å; V272-I276 HydrophobicContact CG1-CG1 4.48Å; V272-I276 WeakPolarHBondContact O-CB 3.41Å; V272-I276 VanDerWaalsContact O-CG1 3.28Å; V272-I276 WeakPolarHBondContact O-CG1 3.49Å; V272-I276 PolarHBondContact O-N 3.42Å; E274-I276 PolarHBondContact O-N 2.9Å; I276-L280 WeakPolarHBondContact O-CB 3.49Å; I276-L280 PolarHBondContact O-N 3.33Å; I276-M445 HydrophobicContact CG1-CE 4.05Å
277	S	88.3	Confident	88.9	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-52.3	178	-56.6	0	0	0	0	111	Y226 C273 E274 K279 L280 N281	Y226-S277 PolarHBondContact OH-O 3.41Å; C273-S277 VanDerWaalsContact O-CB 3.3Å; C273-S277 WeakPolarHBondContact O-CB 3.45Å; C273-S277 PolarHBondContact O-N 3.49Å; C273-S277 PolarHBondContact O-OG 2.84Å; E274-S277 PolarHBondContact O-N 2.91Å; S277-K279 PolarHBondContact O-N 3.33Å; S277-L280 PolarHBondContact O-N 2.95Å; S277-N281 WeakPolarHBondContact O-CB 3.44Å; S277-N281 PolarHBondContact O-N 2.85Å
278	D	90.3	Very high	88.8	Confident	77 Å²	77	44 Å²	44	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-47.5	-179	-77.7	-3.2	0	0	0	112.7	E274 N281 L282	E274-D278 WeakPolarHBondContact O-CB 3.47Å; E274-D278 PolarHBondContact O-N 2.92Å; D278-N281 PolarHBondContact O-N 2.97Å; D278-L282 WeakPolarHBondContact O-CB 3.31Å; D278-L282 VanDerWaalsContact O-CG 3.26Å; D278-L282 WeakPolarHBondContact O-CG 3.33Å; D278-L282 PolarHBondContact O-N 2.94Å
279	K	89.1	Confident	88.9	Confident	61 Å²	61	43.7 Å²	43.7	27%	0.265	22%	0.219	S	C	.	.	H	α-helix	trans	-73.4	-31.9	-177.4	-61.7	-50.6	173.1	-153.7	0	111.9	S275 S277 L282 F283 I441 M445	S275-K279 VanDerWaalsContact O-CB 3.27Å; S275-K279 WeakPolarHBondContact O-CB 3.46Å; S275-K279 WeakPolarHBondContact O-CG 3.21Å; S275-K279 PolarHBondContact O-N 3.22Å; S277-K279 PolarHBondContact O-N 3.33Å; K279-L282 HydrophobicContact CD-CD1 4.27Å; K279-F283 WeakPolarHBondContact O-CB 3.28Å; K279-F283 PolarHBondContact O-N 3.22Å; K279-I441 HydrophobicContact CB-CG2 4.17Å; K279-M445 HydrophobicContact CB-CE 3.29Å; K279-M445 HydrophobicContact CB-CG 3.94Å; K279-M445 HydrophobicContact CB-SD 3.55Å; K279-M445 VanDerWaalsContact CB-SD 3.55Å; K279-M445 HydrophobicContact CG-CE 3.54Å; K279-M445 HydrophobicContact CG-SD 4.41Å
280	L	87.3	Confident	89	Confident	39 Å²	39	44.3 Å²	44.3	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-41.6	172.5	-177.9	65.9	0	0	0	110.8	L154 M230 I276 S277 F283 L284	L154-L280 HydrophobicContact CD2-CD2 4.09Å; M230-L280 HydrophobicContact CE-CD2 4.43Å; I276-L280 WeakPolarHBondContact O-CB 3.49Å; I276-L280 PolarHBondContact O-N 3.33Å; S277-L280 PolarHBondContact O-N 2.95Å; L280-F283 PolarHBondContact O-N 3.48Å; L280-L284 HydrophobicContact CD1-CD1 4.48Å; L280-L284 HydrophobicContact CD1-CG 4.45Å; L280-L284 HydrophobicContact CG-CD1 4.24Å; L280-L284 VanDerWaalsContact O-CG 3.32Å; L280-L284 WeakPolarHBondContact O-CG 3.35Å; L280-L284 PolarHBondContact O-N 3.1Å
281	N	89.7	Confident	88.9	Confident	22 Å²	22	48 Å²	48	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-57.5	173.4	-160.6	18.7	0	0	0	109.7	D223 Y226 S277 D278 F283 L284 W285	D223-N281 PolarHBondContact OD1-ND2 3.37Å; D223-N281 VanDerWaalsContact OD1-ND2 3.1Å; Y226-N281 HydrophobicContact CD1-CB 4.12Å; Y226-N281 HydrophobicContact CE1-CB 3.48Å; Y226-N281 VanDerWaalsContact CE1-CB 3.48Å; Y226-N281 HydrophobicContact CE2-CB 4.4Å; Y226-N281 PolarHBondContact OH-N 3.47Å; S277-N281 WeakPolarHBondContact O-CB 3.44Å; S277-N281 PolarHBondContact O-N 2.85Å; D278-N281 PolarHBondContact O-N 2.97Å; N281-F283 PolarHBondContact O-N 2.81Å; N281-L284 PolarHBondContact O-N 3.16Å; N281-L284 VanDerWaalsContact O-N 3.12Å; N281-W285 WeakPolarHBondContact O-CB 3.37Å; N281-W285 PolarHBondContact O-N 3.33Å; N281-W285 PolarHBondContact OD1-NE1 2.85Å; N281-W285 VanDerWaalsContact OD1-NE1 3.07Å
282	L	90.4	Very high	88.9	Confident	61 Å²	61	44.6 Å²	44.6	32%	0.319	23%	0.225	S	C	.	.	H	α-helix	trans	-55.7	-40	178.3	-70.9	167.6	0	0	0	112.1	D278 K279 Y286 I441	D278-L282 WeakPolarHBondContact O-CB 3.31Å; D278-L282 VanDerWaalsContact O-CG 3.26Å; D278-L282 WeakPolarHBondContact O-CG 3.33Å; D278-L282 PolarHBondContact O-N 2.94Å; K279-L282 HydrophobicContact CD-CD1 4.27Å; L282-Y286 HydrophobicContact CB-CD2 4.47Å; L282-Y286 HydrophobicContact CD2-CD2 4.32Å; L282-Y286 HydrophobicContact CD2-CE2 3.87Å; L282-Y286 WeakPolarHBondContact O-CB 3.35Å; L282-Y286 VanDerWaalsContact O-CD2 3.28Å; L282-Y286 WeakPolarHBondContact O-CD2 3.33Å; L282-Y286 PolarHBondContact O-N 3.45Å; L282-I441 HydrophobicContact CB-CD1 3.76Å; L282-I441 HydrophobicContact CB-CG1 4.49Å
283	F	89.6	Confident	89.1	Confident	82 Å²	82	44.3 Å²	44.3	36%	0.36	22%	0.223	S	C	.	.	H	α-helix	trans	-62	-51.6	177.5	177.9	-97.9	0	0	0	111.1	K279 L280 N281 W285 L287 L438 I441	K279-F283 WeakPolarHBondContact O-CB 3.28Å; K279-F283 PolarHBondContact O-N 3.22Å; L280-F283 PolarHBondContact O-N 3.48Å; N281-F283 PolarHBondContact O-N 2.81Å; F283-W285 VanDerWaalsContact C-N 3.33Å; F283-W285 PolarHBondContact O-N 3.47Å; F283-L287 HydrophobicContact CE1-CD2 4.01Å; F283-L287 HydrophobicContact CZ-CD1 4.21Å; F283-L287 HydrophobicContact CZ-CD2 4.2Å; F283-L287 WeakPolarHBondContact O-CB 3.39Å; F283-L287 PolarHBondContact O-N 3.36Å; F283-L438 HydrophobicContact CD2-CD1 3.44Å; F283-L438 VanDerWaalsContact CD2-CD1 3.44Å; F283-L438 HydrophobicContact CE2-CD1 3.69Å; F283-L438 HydrophobicContact CG-CD1 4.35Å; F283-I441 HydrophobicContact CB-CD1 4.23Å; F283-I441 HydrophobicContact CB-CG2 4.27Å; F283-I441 HydrophobicContact CD2-CG2 4.48Å
284	L	88	Confident	89.2	Confident	44 Å²	44	47.1 Å²	47.1	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-43.3	179.8	-70.6	172	0	0	0	111.5	L171 L280 N281 G288	L171-L284 HydrophobicContact CD1-CB 4.19Å; L280-L284 HydrophobicContact CD1-CD1 4.48Å; L280-L284 HydrophobicContact CD1-CG 4.45Å; L280-L284 HydrophobicContact CG-CD1 4.24Å; L280-L284 VanDerWaalsContact O-CG 3.32Å; L280-L284 WeakPolarHBondContact O-CG 3.35Å; L280-L284 PolarHBondContact O-N 3.1Å; N281-L284 PolarHBondContact O-N 3.16Å; N281-L284 VanDerWaalsContact O-N 3.12Å; L284-G288 PolarHBondContact O-N 3.32Å
285	W	90	Very high	89.2	Confident	46 Å²	46	45 Å²	45	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-55.1	177.6	-86.8	90.9	0	0	0	113	L171 E219 N281 F283 L287 G288 R289	L171-W285 HydrophobicContact CD1-CB 4.31Å; L171-W285 VanDerWaalsContact CD1-CD1 3.5Å; L171-W285 HydrophobicContact CD1-CD2 3.83Å; L171-W285 HydrophobicContact CD1-CG 3.61Å; L171-W285 HydrophobicContact CG-CD2 4.08Å; L171-W285 HydrophobicContact CG-CE3 4.4Å; L171-W285 HydrophobicContact CG-CG 4.29Å; E219-W285 HydrophobicContact CB-CH2 3.72Å; E219-W285 HydrophobicContact CB-CZ2 4.36Å; E219-W285 HydrophobicContact CG-CH2 3.33Å; E219-W285 HydrophobicContact CG-CZ2 4.31Å; E219-W285 HydrophobicContact CG-CZ3 3.93Å; N281-W285 WeakPolarHBondContact O-CB 3.37Å; N281-W285 PolarHBondContact O-N 3.33Å; N281-W285 PolarHBondContact OD1-NE1 2.85Å; N281-W285 VanDerWaalsContact OD1-NE1 3.07Å; F283-W285 VanDerWaalsContact C-N 3.33Å; F283-W285 PolarHBondContact O-N 3.47Å; W285-L287 VanDerWaalsContact C-N 3.32Å; W285-L287 PolarHBondContact O-N 3.35Å; W285-G288 PolarHBondContact O-N 2.79Å; W285-R289 WeakPolarHBondContact O-CB 3.22Å; W285-R289 PolarHBondContact O-N 3.03Å
286	Y	90.4	Very high	89.1	Confident	67 Å²	67	45.8 Å²	45.8	26%	0.263	24%	0.238	S	C	.	.	H	α-helix	trans	-72.9	-25.6	-177.9	-77.9	-71.5	0	0	0	113	L282 G290 A434 V437	L282-Y286 HydrophobicContact CB-CD2 4.47Å; L282-Y286 HydrophobicContact CD2-CD2 4.32Å; L282-Y286 HydrophobicContact CD2-CE2 3.87Å; L282-Y286 WeakPolarHBondContact O-CB 3.35Å; L282-Y286 VanDerWaalsContact O-CD2 3.28Å; L282-Y286 WeakPolarHBondContact O-CD2 3.33Å; L282-Y286 PolarHBondContact O-N 3.45Å; Y286-G290 WeakPolarHBondContact O-CA 3.39Å; Y286-G290 PolarHBondContact O-N 3.04Å; Y286-A434 HydrophobicContact CD1-CB 3.78Å; Y286-A434 HydrophobicContact CE1-CB 4.46Å; Y286-V437 HydrophobicContact CD1-CB 4.4Å; Y286-V437 HydrophobicContact CD2-CB 4.03Å; Y286-V437 HydrophobicContact CD2-CG1 3.45Å; Y286-V437 VanDerWaalsContact CD2-CG1 3.45Å; Y286-V437 HydrophobicContact CE1-CB 4.38Å; Y286-V437 HydrophobicContact CE1-CG2 4.34Å; Y286-V437 HydrophobicContact CE2-CB 4.06Å; Y286-V437 HydrophobicContact CE2-CG1 3.49Å; Y286-V437 VanDerWaalsContact CE2-CG1 3.49Å; Y286-V437 HydrophobicContact CE2-CG2 4.26Å; Y286-V437 HydrophobicContact CG-CB 4.21Å; Y286-V437 HydrophobicContact CG-CG1 4.09Å
287	L	89.1	Confident	89.2	Confident	67 Å²	67	45.5 Å²	45.5	35%	0.351	24%	0.236	S	C	.	.	H	α-helix	trans	-67.2	-51	169.9	-169.9	82.1	0	0	0	110.6	F283 W285 G290 L291 L438	F283-L287 HydrophobicContact CE1-CD2 4.01Å; F283-L287 HydrophobicContact CZ-CD1 4.21Å; F283-L287 HydrophobicContact CZ-CD2 4.2Å; F283-L287 WeakPolarHBondContact O-CB 3.39Å; F283-L287 PolarHBondContact O-N 3.36Å; W285-L287 VanDerWaalsContact C-N 3.32Å; W285-L287 PolarHBondContact O-N 3.35Å; L287-G290 PolarHBondContact O-N 3.07Å; L287-L291 HydrophobicContact CG-CD1 4.46Å; L287-L291 VanDerWaalsContact O-CG 3.31Å; L287-L291 WeakPolarHBondContact O-CG 3.32Å; L287-L291 PolarHBondContact O-N 2.89Å; L287-L438 HydrophobicContact CD1-CD2 4.21Å
288	G	87.4	Confident	89.2	Confident	10 Å²	10	47.5 Å²	47.5	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-50.8	176.6	0	0	0	0	0	111.7	L284 W285 G290 L291 C292	L284-G288 PolarHBondContact O-N 3.32Å; W285-G288 PolarHBondContact O-N 2.79Å; G288-G290 PolarHBondContact O-N 3.36Å; G288-L291 PolarHBondContact O-N 2.87Å; G288-C292 PolarHBondContact O-N 2.71Å; G288-C292 PolarHBondContact O-SG 2.76Å; G288-C292 VanDerWaalsContact O-SG 3.38Å
289	R	89.4	Confident	89.1	Confident	55 Å²	55	54.6 Å²	54.6	21%	0.208	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-42.5	176.8	-172.9	170.5	179.7	150.9	-0.7	112.4	E178 M179 W285 C292 L293	E178-R289 IonicContact OE1-NH1 2.74Å; E178-R289 PolarHBondContact OE1-NH1 2.96Å; E178-R289 IonicContact OE2-CZ 3.64Å; E178-R289 IonicContact OE2-NE 3.99Å; E178-R289 IonicContact OE2-NH1 3.89Å; E178-R289 PolarHBondContact OE2-NH1 3.25Å; M179-R289 HydrophobicContact CE-CG 3.86Å; W285-R289 WeakPolarHBondContact O-CB 3.22Å; W285-R289 PolarHBondContact O-N 3.03Å; R289-C292 PolarHBondContact O-N 3.44Å; R289-L293 HydrophobicContact CG-CD1 3.84Å; R289-L293 HydrophobicContact CG-CG 4.36Å; R289-L293 VanDerWaalsContact O-CB 3.26Å; R289-L293 WeakPolarHBondContact O-CB 3.48Å; R289-L293 WeakPolarHBondContact O-CD1 3.28Å; R289-L293 VanDerWaalsContact O-CG 3.23Å; R289-L293 WeakPolarHBondContact O-CG 3.22Å; R289-L293 PolarHBondContact O-N 3.34Å
290	G	89.4	Confident	88.7	Confident	13 Å²	13	53.3 Å²	53.3	13%	0.134	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-42.2	177.3	0	0	0	0	0	112.7	Y286 L287 G288 L294 F431	Y286-G290 WeakPolarHBondContact O-CA 3.39Å; Y286-G290 PolarHBondContact O-N 3.04Å; L287-G290 PolarHBondContact O-N 3.07Å; G288-G290 PolarHBondContact O-N 3.36Å; G290-L294 VanDerWaalsContact O-CB 3.27Å; G290-L294 WeakPolarHBondContact O-CB 3.25Å; G290-L294 PolarHBondContact O-N 3.33Å; G290-F431 WeakPolarHBondContact O-CE2 3.48Å
291	L	89.4	Confident	88.5	Confident	113 Å²	113	52.2 Å²	52.2	59%	0.592	27%	0.266	S	S	*	.	H	α-helix	trans	-67.1	-44.7	176	-69.3	172.9	0	0	0	111.9	L287 G288 L294 A295	L287-L291 HydrophobicContact CG-CD1 4.46Å; L287-L291 VanDerWaalsContact O-CG 3.31Å; L287-L291 WeakPolarHBondContact O-CG 3.32Å; L287-L291 PolarHBondContact O-N 2.89Å; G288-L291 PolarHBondContact O-N 2.87Å; L291-L294 PolarHBondContact O-N 2.88Å; L291-A295 PolarHBondContact O-N 3.32Å
292	C	88.8	Confident	88.3	Confident	19 Å²	19	55.1 Å²	55.1	13%	0.128	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-48.7	175.2	-70	0	0	0	0	111.5	M179 G288 R289 L294 A295 F296	M179-C292 HydrophobicContact CG-CB 4.23Å; G288-C292 PolarHBondContact O-N 2.71Å; G288-C292 PolarHBondContact O-SG 2.76Å; G288-C292 VanDerWaalsContact O-SG 3.38Å; R289-C292 PolarHBondContact O-N 3.44Å; C292-L294 VanDerWaalsContact C-N 3.34Å; C292-L294 PolarHBondContact O-N 3.46Å; C292-A295 WeakPolarHBondContact O-CB 3.25Å; C292-A295 PolarHBondContact O-N 3.4Å; C292-A295 VanDerWaalsContact O-N 3.16Å; C292-F296 WeakPolarHBondContact O-CD2 3.48Å; C292-F296 PolarHBondContact O-N 2.74Å
293	L	91	Very high	88.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-46	177.2	-80.2	167.7	0	0	0	112	M179 R289 A295 F296 M297 Y427 Q430 F431 A434	M179-L293 HydrophobicContact CE-CD2 4.5Å; M179-L293 HydrophobicContact SD-CD1 4.34Å; M179-L293 HydrophobicContact SD-CD2 3.19Å; M179-L293 WeakPolarHBondContact SD-CD2 3.4Å; M179-L293 HydrophobicContact SD-CG 3.48Å; M179-L293 WeakPolarHBondContact SD-CG 2.71Å; R289-L293 HydrophobicContact CG-CD1 3.84Å; R289-L293 HydrophobicContact CG-CG 4.36Å; R289-L293 VanDerWaalsContact O-CB 3.26Å; R289-L293 WeakPolarHBondContact O-CB 3.48Å; R289-L293 WeakPolarHBondContact O-CD1 3.28Å; R289-L293 VanDerWaalsContact O-CG 3.23Å; R289-L293 WeakPolarHBondContact O-CG 3.22Å; R289-L293 PolarHBondContact O-N 3.34Å; L293-A295 VanDerWaalsContact C-N 3.3Å; L293-A295 PolarHBondContact O-N 2.98Å; L293-F296 PolarHBondContact O-N 3.47Å; L293-M297 WeakPolarHBondContact O-CB 3.33Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.33Å; L293-M297 PolarHBondContact O-N 3.48Å; L293-Y427 HydrophobicContact CD2-CD1 3.57Å; L293-Y427 HydrophobicContact CD2-CE1 4.42Å; L293-Y427 HydrophobicContact CD2-CG 4.29Å; L293-Q430 HydrophobicContact CD1-CB 3.93Å; L293-Q430 HydrophobicContact CD2-CB 4.08Å; L293-F431 HydrophobicContact CB-CB 4.33Å; L293-F431 HydrophobicContact CB-CD2 3.96Å; L293-F431 HydrophobicContact CD1-CB 4.22Å; L293-A434 HydrophobicContact CD1-CB 4.41Å
294	L	89.9	Confident	87.9	Confident	58 Å²	58	54.6 Å²	54.6	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-40.6	178	-174.6	133	0	0	0	111.2	G290 L291 C292 M297 I298 F431	G290-L294 VanDerWaalsContact O-CB 3.27Å; G290-L294 WeakPolarHBondContact O-CB 3.25Å; G290-L294 PolarHBondContact O-N 3.33Å; L291-L294 PolarHBondContact O-N 2.88Å; C292-L294 VanDerWaalsContact C-N 3.34Å; C292-L294 PolarHBondContact O-N 3.46Å; L294-M297 PolarHBondContact O-N 3.09Å; L294-I298 HydrophobicContact CD2-CD1 3.62Å; L294-I298 HydrophobicContact CG-CD1 4.23Å; L294-I298 VanDerWaalsContact O-CG1 3.24Å; L294-I298 WeakPolarHBondContact O-CG1 3.38Å; L294-I298 PolarHBondContact O-N 3.02Å; L294-F431 HydrophobicContact CB-CE2 4.08Å; L294-F431 HydrophobicContact CD1-CE2 4.19Å; L294-F431 HydrophobicContact CD1-CZ 3.86Å
295	A	89.4	Confident	87.9	Confident	58 Å²	58	53 Å²	53	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-46.1	174.8	0	0	0	0	0	112.6	L291 C292 L293 I298 W299	L291-A295 PolarHBondContact O-N 3.32Å; C292-A295 WeakPolarHBondContact O-CB 3.25Å; C292-A295 PolarHBondContact O-N 3.4Å; C292-A295 VanDerWaalsContact O-N 3.16Å; L293-A295 VanDerWaalsContact C-N 3.3Å; L293-A295 PolarHBondContact O-N 2.98Å; A295-I298 PolarHBondContact O-N 3.4Å; A295-W299 PolarHBondContact O-N 3.46Å
296	F	88.7	Confident	87.7	Confident	50 Å²	50	53.5 Å²	53.5	22%	0.219	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-37	176.7	-80.7	-73.9	0	0	0	112.9	L176 M179 C292 L293 W299 G300 Y427	L176-F296 HydrophobicContact CD2-CE2 4.17Å; L176-F296 HydrophobicContact CD2-CZ 4.34Å; M179-F296 HydrophobicContact CB-CD2 3.78Å; M179-F296 HydrophobicContact CB-CE2 3.55Å; M179-F296 HydrophobicContact CB-CZ 4.27Å; M179-F296 HydrophobicContact CG-CD2 4.06Å; M179-F296 HydrophobicContact CG-CE2 4.1Å; C292-F296 WeakPolarHBondContact O-CD2 3.48Å; C292-F296 PolarHBondContact O-N 2.74Å; L293-F296 PolarHBondContact O-N 3.47Å; F296-W299 PolarHBondContact O-N 2.81Å; F296-G300 PolarHBondContact O-N 2.7Å; F296-Y427 HydrophobicContact CB-CD2 4.28Å; F296-Y427 HydrophobicContact CB-CE1 4.18Å; F296-Y427 HydrophobicContact CB-CE2 3.94Å; F296-Y427 HydrophobicContact CG-CE1 4.42Å
297	M	87.8	Confident	87.5	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-43.5	175.3	-73.9	177.6	70	0	0	111.5	L293 L294 W299 G300 S301 T305 T308 F424 Q428 F431	L293-M297 WeakPolarHBondContact O-CB 3.33Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.33Å; L293-M297 PolarHBondContact O-N 3.48Å; L294-M297 PolarHBondContact O-N 3.09Å; M297-W299 VanDerWaalsContact C-N 3.3Å; M297-W299 PolarHBondContact O-N 2.85Å; M297-G300 PolarHBondContact O-N 2.85Å; M297-S301 PolarHBondContact O-N 3.33Å; M297-T305 HydrophobicContact CB-CG2 4.07Å; M297-T305 PolarHBondContact O-OG1 3Å; M297-T308 HydrophobicContact CE-CG2 3.97Å; M297-T308 VanDerWaalsContact CE-OG1 3.29Å; M297-T308 WeakPolarHBondContact CE-OG1 3.39Å; M297-F424 HydrophobicContact CB-CE2 4.19Å; M297-F424 HydrophobicContact CE-CE1 4.3Å; M297-F424 HydrophobicContact CE-CE2 3.84Å; M297-F424 HydrophobicContact CE-CZ 3.53Å; M297-F424 HydrophobicContact CG-CE2 4.36Å; M297-Q428 HydrophobicContact CE-CB 3.99Å; M297-Q428 HydrophobicContact CE-CG 4.41Å; M297-F431 HydrophobicContact SD-CB 3.83Å; M297-F431 HydrophobicContact SD-CD1 4.18Å; M297-F431 HydrophobicContact SD-CG 3.99Å
298	I	89	Confident	87.3	Confident	54 Å²	54	48.9 Å²	48.9	28%	0.277	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-40.6	175.9	-69.7	168.3	0	0	0	110.7	F90 L294 A295 F302 T305	F90-I298 HydrophobicContact CE2-CG2 4.46Å; F90-I298 HydrophobicContact CZ-CG2 3.99Å; L294-I298 HydrophobicContact CD2-CD1 3.62Å; L294-I298 HydrophobicContact CG-CD1 4.23Å; L294-I298 VanDerWaalsContact O-CG1 3.24Å; L294-I298 WeakPolarHBondContact O-CG1 3.38Å; L294-I298 PolarHBondContact O-N 3.02Å; A295-I298 PolarHBondContact O-N 3.4Å; I298-F302 HydrophobicContact CG2-CD2 4.37Å; I298-T305 HydrophobicContact CG1-CG2 3.97Å; I298-T305 PolarHBondContact N-OG1 3.29Å
299	W	86.9	Confident	87.3	Confident	226 Å²	226	53.2 Å²	53.2	86%	0.856	27%	0.272	S	S	*	.	H	α-helix	trans	-61.9	-47.4	175	-166.7	-41.1	0	0	0	111.1	A295 F296 M297	A295-W299 PolarHBondContact O-N 3.46Å; F296-W299 PolarHBondContact O-N 2.81Å; M297-W299 VanDerWaalsContact C-N 3.3Å; M297-W299 PolarHBondContact O-N 2.85Å
300	G	81.6	Confident	87.1	Confident	35 Å²	35	54.5 Å²	54.5	36%	0.361	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-55.1	-176.1	0	0	0	0	0	113.9	F296 M297	F296-G300 PolarHBondContact O-N 2.7Å; M297-G300 PolarHBondContact O-N 2.85Å
301	S	83.3	Confident	86.9	Confident	16 Å²	16	55 Å²	55	11%	0.112	28%	0.284	C	S	.	.			trans	-161.2	105.3	175.5	-179.3	0	0	0	0	111	M297 Y303 L304 T305	M297-S301 PolarHBondContact O-N 3.33Å; S301-Y303 VanDerWaalsContact C-N 3.25Å; S301-Y303 PolarHBondContact O-N 3.01Å; S301-L304 PolarHBondContact O-N 2.9Å; S301-T305 PolarHBondContact O-N 3.47Å; S301-T305 PolarHBondContact O-OG1 2.92Å
302	F	84.8	Confident	86.6	Confident	83 Å²	83	50.3 Å²	50.3	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-55	-39.5	176.9	-178.3	-99.6	0	0	0	113.2	L87 F90 I298 L304 T305 V306	L87-F302 HydrophobicContact CD2-CE1 3.97Å; L87-F302 HydrophobicContact CD2-CZ 4.26Å; F90-F302 HydrophobicContact CE1-CB 4.25Å; F90-F302 HydrophobicContact CE1-CD2 4.22Å; F90-F302 HydrophobicContact CE1-CG 4.25Å; I298-F302 HydrophobicContact CG2-CD2 4.37Å; F302-L304 PolarHBondContact O-N 3.47Å; F302-T305 WeakPolarHBondContact O-CB 3.38Å; F302-T305 PolarHBondContact O-N 3.28Å; F302-V306 HydrophobicContact CD1-CG2 4.15Å; F302-V306 HydrophobicContact CE1-CG2 3.66Å; F302-V306 HydrophobicContact CE2-CG2 4.12Å; F302-V306 HydrophobicContact CZ-CG2 3.65Å; F302-V306 WeakPolarHBondContact O-CG2 3.47Å; F302-V306 PolarHBondContact O-N 3.34Å
303	Y	86	Confident	86.1	Confident	129 Å²	129	51.4 Å²	51.4	51%	0.506	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-47.9	-179.8	-179.4	-98.6	0	0	0	111.2	S301 T305 V306 V307 L410	S301-Y303 VanDerWaalsContact C-N 3.25Å; S301-Y303 PolarHBondContact O-N 3.01Å; Y303-T305 VanDerWaalsContact C-N 3.33Å; Y303-T305 PolarHBondContact O-N 3.31Å; Y303-V306 PolarHBondContact O-N 3.28Å; Y303-V307 HydrophobicContact CD1-CG2 4.48Å; Y303-V307 HydrophobicContact CE1-CG2 4.15Å; Y303-V307 WeakPolarHBondContact O-CG2 3.12Å; Y303-V307 PolarHBondContact O-N 2.92Å; Y303-L410 HydrophobicContact CD1-CD1 3.88Å; Y303-L410 HydrophobicContact CD1-CD2 4.05Å; Y303-L410 HydrophobicContact CE1-CD1 3.89Å
304	L	85.4	Confident	85.6	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-36.5	178	-63.5	176	0	0	0	110.9	S301 F302 V306 V307 T308 L410 L421 F424	S301-L304 PolarHBondContact O-N 2.9Å; F302-L304 PolarHBondContact O-N 3.47Å; L304-V306 PolarHBondContact O-N 3.44Å; L304-V307 PolarHBondContact O-N 2.92Å; L304-T308 VanDerWaalsContact O-CG2 3.3Å; L304-T308 WeakPolarHBondContact O-CG2 3.13Å; L304-T308 PolarHBondContact O-N 2.94Å; L304-T308 PolarHBondContact O-OG1 3.39Å; L304-L410 HydrophobicContact CG-CD2 4.35Å; L304-L421 HydrophobicContact CD1-CD1 4.24Å; L304-F424 HydrophobicContact CB-CD1 3.94Å; L304-F424 HydrophobicContact CB-CD2 3.98Å; L304-F424 HydrophobicContact CB-CE1 3.43Å; L304-F424 VanDerWaalsContact CB-CE1 3.43Å; L304-F424 HydrophobicContact CB-CE2 3.45Å; L304-F424 VanDerWaalsContact CB-CE2 3.45Å; L304-F424 HydrophobicContact CB-CG 4.22Å; L304-F424 HydrophobicContact CB-CZ 3.18Å; L304-F424 HydrophobicContact CD1-CB 4.49Å; L304-F424 HydrophobicContact CD1-CD1 3.78Å; L304-F424 HydrophobicContact CD1-CD2 4.25Å; L304-F424 HydrophobicContact CD1-CE1 4.14Å; L304-F424 HydrophobicContact CD1-CG 3.88Å; L304-F424 HydrophobicContact CG-CD1 4.47Å; L304-F424 HydrophobicContact CG-CE1 4.34Å; L304-F424 HydrophobicContact CG-CZ 4.44Å
305	T	87.5	Confident	85.2	Confident	11 Å²	11	54.6 Å²	54.6	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-45.5	175.5	-45.2	0	0	0	0	112.2	M297 I298 S301 F302 Y303 V307 T308 L309	M297-T305 HydrophobicContact CB-CG2 4.07Å; M297-T305 PolarHBondContact O-OG1 3Å; I298-T305 HydrophobicContact CG1-CG2 3.97Å; I298-T305 PolarHBondContact N-OG1 3.29Å; S301-T305 PolarHBondContact O-N 3.47Å; S301-T305 PolarHBondContact O-OG1 2.92Å; F302-T305 WeakPolarHBondContact O-CB 3.38Å; F302-T305 PolarHBondContact O-N 3.28Å; Y303-T305 VanDerWaalsContact C-N 3.33Å; Y303-T305 PolarHBondContact O-N 3.31Å; T305-V307 VanDerWaalsContact C-N 3.33Å; T305-V307 PolarHBondContact O-N 3.25Å; T305-T308 WeakPolarHBondContact CA-OG1 3.36Å; T305-T308 PolarHBondContact O-N 2.95Å; T305-T308 PolarHBondContact O-OG1 3.01Å; T305-L309 PolarHBondContact O-N 3.11Å
306	V	87.7	Confident	84.6	Confident	55 Å²	55	53.7 Å²	53.7	33%	0.333	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-42.3	178.2	173.5	0	0	0	0	110.9	F302 Y303 L304 T308 L309 L310	F302-V306 HydrophobicContact CD1-CG2 4.15Å; F302-V306 HydrophobicContact CE1-CG2 3.66Å; F302-V306 HydrophobicContact CE2-CG2 4.12Å; F302-V306 HydrophobicContact CZ-CG2 3.65Å; F302-V306 WeakPolarHBondContact O-CG2 3.47Å; F302-V306 PolarHBondContact O-N 3.34Å; Y303-V306 PolarHBondContact O-N 3.28Å; L304-V306 PolarHBondContact O-N 3.44Å; V306-T308 VanDerWaalsContact C-N 3.31Å; V306-T308 PolarHBondContact O-N 3.22Å; V306-L309 PolarHBondContact O-N 3Å; V306-L310 WeakPolarHBondContact O-CB 3.21Å; V306-L310 PolarHBondContact O-N 3.46Å
307	V	86.1	Confident	84.2	Confident	33 Å²	33	55 Å²	55	20%	0.2	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-42.7	175	171.9	0	0	0	0	111.2	Y303 L304 T305 L310 S311 L406	Y303-V307 HydrophobicContact CD1-CG2 4.48Å; Y303-V307 HydrophobicContact CE1-CG2 4.15Å; Y303-V307 WeakPolarHBondContact O-CG2 3.12Å; Y303-V307 PolarHBondContact O-N 2.92Å; L304-V307 PolarHBondContact O-N 2.92Å; T305-V307 VanDerWaalsContact C-N 3.33Å; T305-V307 PolarHBondContact O-N 3.25Å; V307-L310 PolarHBondContact O-N 3.35Å; V307-S311 WeakPolarHBondContact O-CB 3.49Å; V307-S311 PolarHBondContact O-N 3Å; V307-S311 VanDerWaalsContact O-N 3.12Å; V307-S311 PolarHBondContact O-OG 3.45Å; V307-L406 HydrophobicContact CG1-CD1 3.7Å; V307-L406 HydrophobicContact CG2-CD1 4.41Å
308	T	85	Confident	83.7	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-44.7	176.9	57.9	0	0	0	0	112	M297 L304 T305 V306 L310 S311 L312 I403 F424 Q428	M297-T308 HydrophobicContact CE-CG2 3.97Å; M297-T308 VanDerWaalsContact CE-OG1 3.29Å; M297-T308 WeakPolarHBondContact CE-OG1 3.39Å; L304-T308 VanDerWaalsContact O-CG2 3.3Å; L304-T308 WeakPolarHBondContact O-CG2 3.13Å; L304-T308 PolarHBondContact O-N 2.94Å; L304-T308 PolarHBondContact O-OG1 3.39Å; T305-T308 WeakPolarHBondContact CA-OG1 3.36Å; T305-T308 PolarHBondContact O-N 2.95Å; T305-T308 PolarHBondContact O-OG1 3.01Å; V306-T308 VanDerWaalsContact C-N 3.31Å; V306-T308 PolarHBondContact O-N 3.22Å; T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 2.8Å; T308-S311 WeakPolarHBondContact CA-OG 3.37Å; T308-S311 PolarHBondContact O-N 3.29Å; T308-S311 PolarHBondContact O-OG 2.97Å; T308-L312 WeakPolarHBondContact O-CG 2.93Å; T308-L312 PolarHBondContact O-N 3.38Å; T308-L312 VanDerWaalsContact O-N 3.12Å; T308-I403 HydrophobicContact CG2-CD1 3.68Å; T308-I403 HydrophobicContact CG2-CG1 4.38Å; T308-F424 HydrophobicContact CG2-CE1 3.79Å; T308-F424 HydrophobicContact CG2-CZ 3.7Å; T308-Q428 HydrophobicContact CG2-CB 4.43Å; T308-Q428 HydrophobicContact CG2-CG 3.6Å
309	L	86.4	Confident	83.3	Confident	101 Å²	101	57.2 Å²	57.2	53%	0.529	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-36	180	-168.4	66	0	0	0	111.8	T305 V306 S311 L312 P313	T305-L309 PolarHBondContact O-N 3.11Å; V306-L309 PolarHBondContact O-N 3Å; L309-S311 VanDerWaalsContact C-N 3.32Å; L309-L312 HydrophobicContact CD1-CD1 4.31Å; L309-P313 WeakPolarHBondContact O-CD 3.43Å
310	L	86.1	Confident	83	Confident	81 Å²	81	52.9 Å²	52.9	42%	0.424	27%	0.273	S	S	.	.	H	α-helix	trans	-70.5	-28	177.6	-172.3	64.7	0	0	0	113	P126 V306 V307 T308 P313	P126-L310 HydrophobicContact CB-CD1 4.11Å; P126-L310 HydrophobicContact CG-CD1 3.38Å; V306-L310 WeakPolarHBondContact O-CB 3.21Å; V306-L310 PolarHBondContact O-N 3.46Å; V307-L310 PolarHBondContact O-N 3.35Å; T308-L310 VanDerWaalsContact C-N 3.3Å; T308-L310 PolarHBondContact O-N 2.8Å; L310-P313 WeakPolarHBondContact O-CD 3.38Å
311	S	83.2	Confident	83	Confident	24 Å²	24	60.4 Å²	60.4	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-89	-22.5	-178.8	50.3	0	0	0	0	113.9	V307 T308 L309 L314 L315 L399	V307-S311 WeakPolarHBondContact O-CB 3.49Å; V307-S311 PolarHBondContact O-N 3Å; V307-S311 VanDerWaalsContact O-N 3.12Å; V307-S311 PolarHBondContact O-OG 3.45Å; T308-S311 WeakPolarHBondContact CA-OG 3.37Å; T308-S311 PolarHBondContact O-N 3.29Å; T308-S311 PolarHBondContact O-OG 2.97Å; L309-S311 VanDerWaalsContact C-N 3.32Å; S311-L314 WeakPolarHBondContact O-CB 3.18Å; S311-L314 PolarHBondContact O-N 2.86Å; S311-L314 VanDerWaalsContact O-N 3.11Å; S311-L315 PolarHBondContact O-N 3.01Å; S311-L399 WeakPolarHBondContact OG-CD1 3.32Å
312	L	83.2	Confident	83	Confident	14 Å²	14	62.2 Å²	62.2	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-54.5	-45.8	174.9	-74.4	174.7	0	0	0	114.4	T308 L309 L314 L315 F316 F431 T432 V435	T308-L312 WeakPolarHBondContact O-CG 2.93Å; T308-L312 PolarHBondContact O-N 3.38Å; T308-L312 VanDerWaalsContact O-N 3.12Å; L309-L312 HydrophobicContact CD1-CD1 4.31Å; L312-L314 PolarHBondContact O-N 2.88Å; L312-L315 WeakPolarHBondContact O-CB 3.38Å; L312-L315 PolarHBondContact O-N 3.19Å; L312-L315 VanDerWaalsContact O-N 3.14Å; L312-F316 HydrophobicContact CB-CE2 4.36Å; L312-F316 HydrophobicContact CD2-CE2 3.94Å; L312-F316 WeakPolarHBondContact O-CD2 3.23Å; L312-F316 PolarHBondContact O-N 3.42Å; L312-F316 VanDerWaalsContact O-N 3.12Å; L312-F431 HydrophobicContact CD1-CD1 4.25Å; L312-F431 HydrophobicContact CD1-CE1 3.61Å; L312-T432 HydrophobicContact CD2-CG2 4.28Å; L312-V435 HydrophobicContact CD1-CG2 4.4Å
313	P	80.2	Confident	83	Confident	42 Å²	42	58.7 Å²	58.7	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-38.8	176.2	-19.7	26.5	0	0	0	112.5	L130 L309 L310 L317	L130-P313 HydrophobicContact CD1-CB 4.09Å; L130-P313 HydrophobicContact CD1-CG 3.56Å; L309-P313 WeakPolarHBondContact O-CD 3.43Å; L310-P313 WeakPolarHBondContact O-CD 3.38Å; P313-L317 VanDerWaalsContact O-CB 3.23Å; P313-L317 WeakPolarHBondContact O-CB 3.46Å; P313-L317 PolarHBondContact O-N 2.83Å
314	L	79.4	Confident	83	Confident	114 Å²	114	59 Å²	59	60%	0.597	29%	0.29	S	S	*	.	H	α-helix	trans	-67.9	-41.2	178.4	-175.6	64.8	0	0	0	111	S311 L312 F316	S311-L314 WeakPolarHBondContact O-CB 3.18Å; S311-L314 PolarHBondContact O-N 2.86Å; S311-L314 VanDerWaalsContact O-N 3.11Å; L312-L314 PolarHBondContact O-N 2.88Å; L314-F316 VanDerWaalsContact C-N 3.33Å; L314-F316 PolarHBondContact O-N 3.46Å
315	L	80.6	Confident	83.1	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-40.1	178.1	-172.8	145.7	0	0	0	112	S311 L312 P319 M392 L399 T432	S311-L315 PolarHBondContact O-N 3.01Å; L312-L315 WeakPolarHBondContact O-CB 3.38Å; L312-L315 PolarHBondContact O-N 3.19Å; L312-L315 VanDerWaalsContact O-N 3.14Å; L315-P319 WeakPolarHBondContact O-CD 3.35Å; L315-P319 VanDerWaalsContact O-CG 3.26Å; L315-P319 WeakPolarHBondContact O-CG 3.21Å; L315-M392 HydrophobicContact CD2-SD 4.34Å; L315-L399 HydrophobicContact CD1-CB 4.32Å; L315-L399 HydrophobicContact CD1-CD2 3.46Å; L315-L399 VanDerWaalsContact CD1-CD2 3.46Å; L315-T432 HydrophobicContact CD1-CG2 4.02Å; L315-T432 HydrophobicContact CD2-CG2 4.45Å
316	F	78.2	Confident	83.1	Confident	39 Å²	39	65 Å²	65	17%	0.171	32%	0.319	C	S	.	.	H	α-helix	trans	-90.2	-22	-178.1	-63.3	-63.9	0	0	0	114.7	L312 L314 R320 V435 E436 L439	L312-F316 HydrophobicContact CB-CE2 4.36Å; L312-F316 HydrophobicContact CD2-CE2 3.94Å; L312-F316 WeakPolarHBondContact O-CD2 3.23Å; L312-F316 PolarHBondContact O-N 3.42Å; L312-F316 VanDerWaalsContact O-N 3.12Å; L314-F316 VanDerWaalsContact C-N 3.33Å; L314-F316 PolarHBondContact O-N 3.46Å; F316-R320 VanDerWaalsContact O-CB 3.23Å; F316-R320 WeakPolarHBondContact O-CB 3.22Å; F316-R320 PolarHBondContact O-N 3.47Å; F316-V435 HydrophobicContact CE2-CB 4.5Å; F316-V435 HydrophobicContact CE2-CG1 3.6Å; F316-V435 HydrophobicContact CZ-CB 4.4Å; F316-V435 HydrophobicContact CZ-CG1 3.84Å; F316-E436 HydrophobicContact CE1-CB 4.18Å; F316-E436 HydrophobicContact CE1-CG 4.45Å; F316-E436 HydrophobicContact CZ-CB 4.34Å; F316-L439 HydrophobicContact CD1-CD1 3.94Å; F316-L439 HydrophobicContact CD2-CD1 3.72Å; F316-L439 HydrophobicContact CE1-CD1 3.9Å; F316-L439 HydrophobicContact CE2-CD1 3.68Å; F316-L439 HydrophobicContact CG-CD1 3.85Å; F316-L439 HydrophobicContact CZ-CD1 3.78Å
317	L	79.1	Confident	83.1	Confident	77 Å²	77	68.6 Å²	68.6	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-69.5	-41	-174	-171.1	70.5	0	0	0	113	P313	P313-L317 VanDerWaalsContact O-CB 3.23Å; P313-L317 WeakPolarHBondContact O-CB 3.46Å; P313-L317 PolarHBondContact O-N 2.83Å
318	L	79	Confident	83.4	Confident	94 Å²	94	69.8 Å²	69.8	49%	0.492	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-56.6	179.1	-103.8	73.4	0	0	0	111.7	R320 R321 T391	L318-R320 PolarHBondContact O-N 2.93Å; L318-R321 PolarHBondContact O-N 2.87Å; L318-R321 VanDerWaalsContact O-N 3.09Å; L318-T391 HydrophobicContact CB-CG2 4.29Å; L318-T391 HydrophobicContact CD2-CG2 4.4Å
319	P	80.3	Confident	83.6	Confident	7 Å²	7	70.7 Å²	70.7	5%	0.045	35%	0.347	C	S	.	.	H	α-helix	trans	-56.2	-36.6	178.4	-26.9	36	0	0	0	112.6	L315 R321 L322 G323 M392	L315-P319 WeakPolarHBondContact O-CD 3.35Å; L315-P319 VanDerWaalsContact O-CG 3.26Å; L315-P319 WeakPolarHBondContact O-CG 3.21Å; P319-R321 VanDerWaalsContact C-N 3.28Å; P319-R321 PolarHBondContact O-N 3.24Å; P319-L322 PolarHBondContact O-N 2.84Å; P319-G323 PolarHBondContact O-N 3.3Å; P319-M392 HydrophobicContact CB-CE 4.17Å; P319-M392 HydrophobicContact CB-SD 4.21Å; P319-M392 HydrophobicContact CG-CB 4.47Å; P319-M392 HydrophobicContact CG-CE 4.34Å; P319-M392 HydrophobicContact CG-SD 3.77Å
320	R	81.2	Confident	83.8	Confident	135 Å²	135	67 Å²	67	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-33.7	178.6	-177.7	176.2	176.7	133.9	1.7	113.9	F316 L318 K324	F316-R320 VanDerWaalsContact O-CB 3.23Å; F316-R320 WeakPolarHBondContact O-CB 3.22Å; F316-R320 PolarHBondContact O-N 3.47Å; L318-R320 PolarHBondContact O-N 2.93Å; R320-K324 PolarHBondContact O-N 2.66Å
321	R	81.5	Confident	84.1	Confident	193 Å²	193	67.5 Å²	67.5	73%	0.728	34%	0.337	S	S	*	.	H	α-helix	trans	-73.3	-41.3	178.5	-73.7	-169.9	177.4	-179	0.3	111.5	L318 P319	L318-R321 PolarHBondContact O-N 2.87Å; L318-R321 VanDerWaalsContact O-N 3.09Å; P319-R321 VanDerWaalsContact C-N 3.28Å; P319-R321 PolarHBondContact O-N 3.24Å
322	L	82.4	Confident	84.6	Confident	55 Å²	55	71.7 Å²	71.7	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-70.3	-40.1	177.7	-67	170	0	0	0	111.7	P319 K324 V325 Y326 T387 T391	P319-L322 PolarHBondContact O-N 2.84Å; L322-K324 PolarHBondContact O-N 3.11Å; L322-V325 WeakPolarHBondContact O-CA 3.15Å; L322-V325 WeakPolarHBondContact O-CB 3.35Å; L322-V325 PolarHBondContact O-N 3.35Å; L322-Y326 PolarHBondContact O-N 3.46Å; L322-T387 HydrophobicContact CD1-CG2 4.21Å; L322-T387 HydrophobicContact CD2-CG2 4.19Å; L322-T391 HydrophobicContact CD1-CG2 3.69Å; L322-T391 WeakPolarHBondContact CD1-OG1 3.34Å
323	G	84.4	Confident	85.1	Confident	8 Å²	8	71.8 Å²	71.8	8%	0.082	35%	0.354	C	S	.	.	H	α-helix	trans	-58.2	-32.4	176.5	0	0	0	0	0	113	P319 Y326 Q327	P319-G323 PolarHBondContact O-N 3.3Å; G323-Y326 PolarHBondContact O-N 2.98Å; G323-Q327 WeakPolarHBondContact O-CB 3.31Å; G323-Q327 VanDerWaalsContact O-CG 3.26Å; G323-Q327 WeakPolarHBondContact O-CG 3.39Å; G323-Q327 PolarHBondContact O-N 3.43Å
324	K	86	Confident	85.7	Confident	135 Å²	135	76.4 Å²	76.4	59%	0.587	37%	0.372	S	S	*	.	H	α-helix	trans	-64.8	-38.8	172.4	-76.3	-173.5	173.5	-166.3	0	113	R320 L322 S328	R320-K324 PolarHBondContact O-N 2.66Å; L322-K324 PolarHBondContact O-N 3.11Å; K324-S328 WeakPolarHBondContact O-CB 3.49Å; K324-S328 PolarHBondContact O-N 3Å
325	V	87.8	Confident	86.3	Confident	75 Å²	75	76 Å²	76	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-47	177.8	179.5	0	0	0	0	109.3	L322 S328 L329	L322-V325 WeakPolarHBondContact O-CA 3.15Å; L322-V325 WeakPolarHBondContact O-CB 3.35Å; L322-V325 PolarHBondContact O-N 3.35Å; V325-S328 PolarHBondContact O-N 3.3Å; V325-S328 PolarHBondContact O-OG 3.25Å; V325-L329 HydrophobicContact CG1-CD1 4.12Å; V325-L329 PolarHBondContact O-N 3.1Å; V325-L329 VanDerWaalsContact O-N 3.09Å
326	Y	88	Confident	86.9	Confident	65 Å²	65	76.1 Å²	76.1	26%	0.255	37%	0.369	S	S	.	.	H	α-helix	trans	-55.5	-53	174.4	169.6	-114.3	0	0	0	111.7	L322 G323 S328 L329 A330 E381 Y385 E388	L322-Y326 PolarHBondContact O-N 3.46Å; G323-Y326 PolarHBondContact O-N 2.98Å; Y326-S328 VanDerWaalsContact C-N 3.29Å; Y326-S328 PolarHBondContact O-N 3.44Å; Y326-L329 PolarHBondContact O-N 3.48Å; Y326-A330 PolarHBondContact O-N 3.36Å; Y326-E381 HydrophobicContact CD2-CG 4.15Å; Y326-E381 HydrophobicContact CE2-CG 3.9Å; Y326-Y385 HydrophobicContact CE2-CD2 4.12Å; Y326-Y385 HydrophobicContact CE2-CG 4.43Å; Y326-E388 WeakPolarHBondContact CD1-OE2 3.29Å
327	Q	87.7	Confident	87.7	Confident	131 Å²	131	78.3 Å²	78.3	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-56.1	-41	177.5	-76.1	177.4	-5.6	0	0	112.8	G323 L329 A330 V331	G323-Q327 WeakPolarHBondContact O-CB 3.31Å; G323-Q327 VanDerWaalsContact O-CG 3.26Å; G323-Q327 WeakPolarHBondContact O-CG 3.39Å; G323-Q327 PolarHBondContact O-N 3.43Å; Q327-L329 VanDerWaalsContact C-N 3.32Å; Q327-L329 PolarHBondContact O-N 3.38Å; Q327-A330 PolarHBondContact O-N 2.75Å; Q327-V331 WeakPolarHBondContact O-CG2 3.11Å; Q327-V331 PolarHBondContact O-N 3.31Å; Q327-V331 VanDerWaalsContact O-N 3.12Å
328	S	90.8	Very high	88.4	Confident	58 Å²	58	77.4 Å²	77.4	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-31.7	178.6	76.6	0	0	0	0	113.5	K324 V325 Y326 K332	K324-S328 WeakPolarHBondContact O-CB 3.49Å; K324-S328 PolarHBondContact O-N 3Å; V325-S328 PolarHBondContact O-N 3.3Å; V325-S328 PolarHBondContact O-OG 3.25Å; Y326-S328 VanDerWaalsContact C-N 3.29Å; Y326-S328 PolarHBondContact O-N 3.44Å; S328-K332 WeakPolarHBondContact O-CG 3.38Å
329	L	90.6	Very high	89	Confident	24 Å²	24	77.6 Å²	77.6	13%	0.126	38%	0.382	C	S	.	.	H	α-helix	trans	-76.9	-42.6	176.2	-72.7	167	0	0	0	110.7	V325 Y326 Q327 V331 K332 V333 K380 E381 A384	V325-L329 HydrophobicContact CG1-CD1 4.12Å; V325-L329 PolarHBondContact O-N 3.1Å; V325-L329 VanDerWaalsContact O-N 3.09Å; Y326-L329 PolarHBondContact O-N 3.48Å; Q327-L329 VanDerWaalsContact C-N 3.32Å; Q327-L329 PolarHBondContact O-N 3.38Å; L329-V331 VanDerWaalsContact C-N 3.31Å; L329-V331 PolarHBondContact O-N 3.44Å; L329-K332 WeakPolarHBondContact O-CB 3.43Å; L329-K332 PolarHBondContact O-N 3.31Å; L329-V333 PolarHBondContact O-N 3.11Å; L329-K380 HydrophobicContact CD1-CB 4.32Å; L329-K380 HydrophobicContact CD2-CB 4.17Å; L329-E381 HydrophobicContact CB-CB 4.14Å; L329-E381 HydrophobicContact CB-CG 4.37Å; L329-A384 HydrophobicContact CD1-CB 3.69Å
330	A	91	Very high	89.7	Confident	24 Å²	24	77.4 Å²	77.4	20%	0.198	38%	0.381	C	S	.	.	H	α-helix	trans	-56.8	-42.9	176.7	0	0	0	0	0	112	Y326 Q327 K332 V333 Q334 E381	Y326-A330 PolarHBondContact O-N 3.36Å; Q327-A330 PolarHBondContact O-N 2.75Å; A330-K332 PolarHBondContact O-N 2.92Å; A330-V333 PolarHBondContact O-N 3.27Å; A330-Q334 WeakPolarHBondContact O-CB 3.18Å; A330-Q334 PolarHBondContact O-N 3.34Å; A330-E381 WeakPolarHBondContact CA-OE1 3.45Å; A330-E381 WeakPolarHBondContact CB-OE1 3.45Å
331	V	92.1	Very high	90.4	Very high	91 Å²	91	74.3 Å²	74.3	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-61.6	-41.5	175.2	172.1	0	0	0	0	112	Q327 L329 Q334 E335	Q327-V331 WeakPolarHBondContact O-CG2 3.11Å; Q327-V331 PolarHBondContact O-N 3.31Å; Q327-V331 VanDerWaalsContact O-N 3.12Å; L329-V331 VanDerWaalsContact C-N 3.31Å; L329-V331 PolarHBondContact O-N 3.44Å; V331-Q334 PolarHBondContact O-N 3.47Å; V331-E335 PolarHBondContact O-N 3Å
332	K	92.8	Very high	91	Very high	112 Å²	112	71.4 Å²	71.4	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-67.1	-38	177.9	-70.3	176.5	-178.5	-178.8	0	112.3	S328 L329 A330 E335 S336 L377	S328-K332 WeakPolarHBondContact O-CG 3.38Å; L329-K332 WeakPolarHBondContact O-CB 3.43Å; L329-K332 PolarHBondContact O-N 3.31Å; A330-K332 PolarHBondContact O-N 2.92Å; K332-E335 PolarHBondContact O-N 3.03Å; K332-S336 PolarHBondContact O-N 3.09Å; K332-L377 HydrophobicContact CB-CD2 4.47Å
333	V	93.5	Very high	91.5	Very high	17 Å²	17	69.5 Å²	69.5	10%	0.103	36%	0.363	C	S	.	.	H	α-helix	trans	-66.9	-42.2	175.2	171.6	0	0	0	0	110.3	L329 A330 E335 S336 L337 M374 L377 E381	L329-V333 PolarHBondContact O-N 3.11Å; A330-V333 PolarHBondContact O-N 3.27Å; V333-E335 PolarHBondContact O-N 3.34Å; V333-S336 PolarHBondContact O-N 3.44Å; V333-L337 WeakPolarHBondContact O-CB 3.34Å; V333-L337 PolarHBondContact O-N 2.97Å; V333-M374 HydrophobicContact CG1-CG 4.5Å; V333-M374 HydrophobicContact CG1-SD 4.41Å; V333-L377 HydrophobicContact CG2-CB 3.73Å; V333-E381 VanDerWaalsContact CB-OE2 3.26Å; V333-E381 WeakPolarHBondContact CB-OE2 3.47Å; V333-E381 WeakPolarHBondContact CG1-OE2 3.4Å; V333-E381 HydrophobicContact CG2-CB 4.26Å; V333-E381 WeakPolarHBondContact CG2-OE2 3.37Å
334	Q	92.4	Very high	92	Very high	139 Å²	139	70.5 Å²	70.5	65%	0.65	37%	0.37	S	S	*	.	H	α-helix	trans	-61.8	-40.6	175	-170.6	175.2	1.5	0	0	112.6	A330 V331 L337 A338	A330-Q334 WeakPolarHBondContact O-CB 3.18Å; A330-Q334 PolarHBondContact O-N 3.34Å; V331-Q334 PolarHBondContact O-N 3.47Å; Q334-L337 PolarHBondContact O-N 3.3Å; Q334-A338 PolarHBondContact O-N 2.98Å
335	E	93.7	Very high	92.5	Very high	104 Å²	104	69.5 Å²	69.5	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-65	-42	175.1	-166.7	-165.7	147.8	0	0	112	V331 K332 V333 L337 A338 K339	V331-E335 PolarHBondContact O-N 3Å; K332-E335 PolarHBondContact O-N 3.03Å; V333-E335 PolarHBondContact O-N 3.34Å; E335-L337 VanDerWaalsContact C-N 3.33Å; E335-A338 PolarHBondContact O-N 2.74Å; E335-K339 WeakPolarHBondContact O-CG 3.3Å; E335-K339 PolarHBondContact O-N 2.96Å; E335-K339 VanDerWaalsContact O-N 3.13Å; E335-K339 WeakPolarHBondContact OE1-CE 3.29Å; E335-K339 IonicContact OE1-NZ 3.35Å; E335-K339 PolarHBondContact OE1-NZ 3Å
336	S	92.8	Very high	92.8	Very high	16 Å²	16	71.3 Å²	71.3	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-39.3	175.6	-167	0	0	0	0	111.8	K332 V333 K339 S340 M374	K332-S336 PolarHBondContact O-N 3.09Å; V333-S336 PolarHBondContact O-N 3.44Å; S336-K339 PolarHBondContact O-N 2.93Å; S336-S340 PolarHBondContact O-N 2.81Å; S336-S340 VanDerWaalsContact O-N 3.11Å; S336-M374 WeakPolarHBondContact OG-CB 3.35Å
337	L	94.1	Very high	93.1	Very high	85 Å²	85	69 Å²	69	45%	0.445	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-45.1	175.5	-176	65.8	0	0	0	110.9	V333 Q334 E335 K339 S340 T341 M374	V333-L337 WeakPolarHBondContact O-CB 3.34Å; V333-L337 PolarHBondContact O-N 2.97Å; Q334-L337 PolarHBondContact O-N 3.3Å; E335-L337 VanDerWaalsContact C-N 3.33Å; L337-K339 VanDerWaalsContact C-N 3.29Å; L337-K339 PolarHBondContact O-N 2.99Å; L337-S340 WeakPolarHBondContact CA-OG 3.37Å; L337-S340 PolarHBondContact O-N 2.84Å; L337-S340 VanDerWaalsContact O-N 3.09Å; L337-S340 PolarHBondContact O-OG 2.87Å; L337-T341 PolarHBondContact O-N 2.93Å; L337-T341 PolarHBondContact O-OG1 3.32Å; L337-T341 VanDerWaalsContact O-OG1 3.13Å; L337-M374 HydrophobicContact CB-SD 4.22Å; L337-M374 HydrophobicContact CD1-SD 4.32Å
338	A	93.4	Very high	93.5	Very high	57 Å²	57	68.7 Å²	68.7	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-57.5	-41.2	176.3	0	0	0	0	0	112.2	Q334 E335 T341 Q342	Q334-A338 PolarHBondContact O-N 2.98Å; E335-A338 PolarHBondContact O-N 2.74Å; A338-T341 PolarHBondContact O-N 3.37Å; A338-Q342 PolarHBondContact O-N 2.96Å
339	K	93.6	Very high	93.7	Very high	99 Å²	99	70.8 Å²	70.8	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-42	174.5	-69.9	172	-173	166.2	0	112.4	E335 S336 L337 Q342 V343	E335-K339 WeakPolarHBondContact O-CG 3.3Å; E335-K339 PolarHBondContact O-N 2.96Å; E335-K339 VanDerWaalsContact O-N 3.13Å; E335-K339 WeakPolarHBondContact OE1-CE 3.29Å; E335-K339 IonicContact OE1-NZ 3.35Å; E335-K339 PolarHBondContact OE1-NZ 3Å; S336-K339 PolarHBondContact O-N 2.93Å; L337-K339 VanDerWaalsContact C-N 3.29Å; L337-K339 PolarHBondContact O-N 2.99Å; K339-Q342 PolarHBondContact O-N 3.19Å; K339-V343 PolarHBondContact O-N 3.11Å
340	S	94	Very high	93.9	Very high	3 Å²	3	71.4 Å²	71.4	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-65.5	-40.2	175.2	58.8	0	0	0	0	112.6	S336 L337 Q342 V343 A344 F367	S336-S340 PolarHBondContact O-N 2.81Å; S336-S340 VanDerWaalsContact O-N 3.11Å; L337-S340 WeakPolarHBondContact CA-OG 3.37Å; L337-S340 PolarHBondContact O-N 2.84Å; L337-S340 VanDerWaalsContact O-N 3.09Å; L337-S340 PolarHBondContact O-OG 2.87Å; S340-Q342 VanDerWaalsContact C-N 3.34Å; S340-Q342 PolarHBondContact O-N 3.28Å; S340-V343 PolarHBondContact O-N 3.49Å; S340-A344 PolarHBondContact O-N 2.88Å; S340-A344 VanDerWaalsContact O-N 3.12Å; S340-F367 WeakPolarHBondContact O-CE2 3.36Å
341	T	95.1	Very high	94.1	Very high	69 Å²	69	74.2 Å²	74.2	42%	0.423	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-39.3	176.1	-57.2	0	0	0	0	111.6	L337 A338 V343 A344 L345	L337-T341 PolarHBondContact O-N 2.93Å; L337-T341 PolarHBondContact O-OG1 3.32Å; L337-T341 VanDerWaalsContact O-OG1 3.13Å; A338-T341 PolarHBondContact O-N 3.37Å; T341-V343 PolarHBondContact O-N 2.84Å; T341-A344 PolarHBondContact O-N 3.05Å; T341-L345 HydrophobicContact CG2-CD1 4.16Å; T341-L345 HydrophobicContact CG2-CG 4.36Å; T341-L345 WeakPolarHBondContact O-CG 3.23Å; T341-L345 PolarHBondContact O-N 3.49Å
342	Q	94.5	Very high	94.3	Very high	133 Å²	133	74.9 Å²	74.9	62%	0.621	41%	0.409	S	S	*	.	H	α-helix	trans	-60.5	-43.5	176.4	-174.9	176.4	-1.4	0	0	112	A338 K339 S340 A344 L345 E346	A338-Q342 PolarHBondContact O-N 2.96Å; K339-Q342 PolarHBondContact O-N 3.19Å; S340-Q342 VanDerWaalsContact C-N 3.34Å; S340-Q342 PolarHBondContact O-N 3.28Å; Q342-A344 VanDerWaalsContact C-N 3.33Å; Q342-A344 PolarHBondContact O-N 3.23Å; Q342-L345 PolarHBondContact O-N 3.25Å; Q342-E346 WeakPolarHBondContact O-CB 3.39Å; Q342-E346 PolarHBondContact O-N 2.99Å
343	V	93.6	Very high	94.5	Very high	15 Å²	15	73.1 Å²	73.1	9%	0.091	41%	0.408	C	S	.	.	H	α-helix	trans	-61.2	-42.9	175	173.4	0	0	0	0	111	K339 S340 T341 E346 A347 K366 K370	K339-V343 PolarHBondContact O-N 3.11Å; S340-V343 PolarHBondContact O-N 3.49Å; T341-V343 PolarHBondContact O-N 2.84Å; V343-E346 PolarHBondContact O-N 3.36Å; V343-A347 PolarHBondContact O-N 3.41Å; V343-A347 VanDerWaalsContact O-N 3.09Å; V343-K366 HydrophobicContact CG1-CD 4.02Å; V343-K366 HydrophobicContact CG1-CG 4.08Å; V343-K370 HydrophobicContact CG2-CG 4.41Å
344	A	95.5	Very high	94.7	Very high	29 Å²	29	73.1 Å²	73.1	24%	0.24	41%	0.408	C	S	.	.	H	α-helix	trans	-64.5	-42.4	177.3	0	0	0	0	0	112.3	S340 T341 Q342 A347 L348 F367	S340-A344 PolarHBondContact O-N 2.88Å; S340-A344 VanDerWaalsContact O-N 3.12Å; T341-A344 PolarHBondContact O-N 3.05Å; Q342-A344 VanDerWaalsContact C-N 3.33Å; Q342-A344 PolarHBondContact O-N 3.23Å; A344-A347 PolarHBondContact O-N 3.28Å; A344-L348 WeakPolarHBondContact O-CB 3.42Å; A344-L348 VanDerWaalsContact O-CG 3.23Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 3.21Å; A344-F367 HydrophobicContact CB-CD2 4.23Å; A344-F367 HydrophobicContact CB-CE2 3.92Å
345	L	94.6	Very high	94.9	Very high	114 Å²	114	74.7 Å²	74.7	60%	0.597	41%	0.408	S	S	*	.	H	α-helix	trans	-62.9	-44.2	177.4	-74.9	172.7	0	0	0	111.9	T341 Q342 S349	T341-L345 HydrophobicContact CG2-CD1 4.16Å; T341-L345 HydrophobicContact CG2-CG 4.36Å; T341-L345 WeakPolarHBondContact O-CG 3.23Å; T341-L345 PolarHBondContact O-N 3.49Å; Q342-L345 PolarHBondContact O-N 3.25Å; L345-S349 WeakPolarHBondContact O-CB 3.34Å; L345-S349 PolarHBondContact O-N 3.44Å; L345-S349 PolarHBondContact O-OG 3.19Å
346	E	94.7	Very high	95.1	Very high	113 Å²	113	73.9 Å²	73.9	53%	0.528	41%	0.414	S	S	.	.	H	α-helix	trans	-59.6	-49.7	177	-171.9	177.8	-164.5	0	0	111	Q342 V343 S349 A350 K366	Q342-E346 WeakPolarHBondContact O-CB 3.39Å; Q342-E346 PolarHBondContact O-N 2.99Å; V343-E346 PolarHBondContact O-N 3.36Å; E346-S349 PolarHBondContact O-OG 3.49Å; E346-A350 PolarHBondContact O-N 3.06Å; E346-K366 IonicContact OE2-NZ 2.98Å
347	A	94.6	Very high	95.3	Very high	15 Å²	15	80.7 Å²	80.7	12%	0.124	44%	0.441	C	S	.	.	H	α-helix	trans	-64.6	-44	179.8	0	0	0	0	0	113.1	V343 A344 A350 M351 V354 E363	V343-A347 PolarHBondContact O-N 3.41Å; V343-A347 VanDerWaalsContact O-N 3.09Å; A344-A347 PolarHBondContact O-N 3.28Å; A347-A350 CarbonylContact O-C 3.58Å; A347-M351 PolarHBondContact O-N 3.13Å; A347-V354 WeakPolarHBondContact O-CG2 3.37Å; A347-E363 HydrophobicContact CB-CB 4.2Å; A347-E363 HydrophobicContact CB-CG 4.06Å
348	L	96.2	Very high	95.4	Very high	126 Å²	126	80.3 Å²	80.3	66%	0.66	45%	0.451	S	S	*	.	H	α-helix	trans	-75.4	-33.6	-177.8	-65.5	175	0	0	0	112.9	A344 A350 M351	A344-L348 WeakPolarHBondContact O-CB 3.42Å; A344-L348 VanDerWaalsContact O-CG 3.23Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 3.21Å; L348-A350 VanDerWaalsContact C-N 3.28Å; L348-A350 PolarHBondContact O-N 3.13Å; L348-M351 WeakPolarHBondContact O-CB 3.34Å; L348-M351 PolarHBondContact O-N 3.2Å
349	S	94.4	Very high	95.6	Very high	101 Å²	101	80.9 Å²	80.9	71%	0.706	45%	0.446	S	S	*	.	H	α-helix	trans	-67.6	-30.6	177.2	64.2	0	0	0	0	112.5	L345 E346	L345-S349 WeakPolarHBondContact O-CB 3.34Å; L345-S349 PolarHBondContact O-N 3.44Å; L345-S349 PolarHBondContact O-OG 3.19Å; E346-S349 PolarHBondContact O-OG 3.49Å
350	A	94.9	Very high	95.7	Very high	37 Å²	37	79 Å²	79	31%	0.306	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	32.9	177.2	0	0	0	0	0	112.4	E346 A347 L348 P352 T353 V354	E346-A350 PolarHBondContact O-N 3.06Å; A347-A350 CarbonylContact O-C 3.58Å; L348-A350 VanDerWaalsContact C-N 3.28Å; L348-A350 PolarHBondContact O-N 3.13Å; A350-P352 VanDerWaalsContact C-CD 3.46Å; A350-P352 VanDerWaalsContact C-N 3.34Å; A350-T353 WeakPolarHBondContact O-CA 3.24Å; A350-T353 VanDerWaalsContact O-CB 3.25Å; A350-T353 WeakPolarHBondContact O-CB 3.35Å; A350-T353 PolarHBondContact O-N 2.93Å; A350-V354 PolarHBondContact O-N 3.36Å
351	M	95.1	Very high	95.9	Very high	84 Å²	84	85.1 Å²	85.1	41%	0.414	47%	0.467	S	S	.	.	H	α-helix	trans	-53.4	-40.5	-176	-169.3	64.1	-167.4	0	0	114.3	A347 L348 T353 V354 R355	A347-M351 PolarHBondContact O-N 3.13Å; L348-M351 WeakPolarHBondContact O-CB 3.34Å; L348-M351 PolarHBondContact O-N 3.2Å; M351-T353 VanDerWaalsContact C-N 3.27Å; M351-T353 PolarHBondContact O-N 3.49Å; M351-V354 PolarHBondContact O-N 3.11Å; M351-R355 WeakPolarHBondContact O-CB 3.5Å; M351-R355 PolarHBondContact O-N 3.33Å
352	P	96.5	Very high	95.9	Very high	104 Å²	104	83.4 Å²	83.4	68%	0.675	46%	0.463	S	S	*	.	H	α-helix	trans	-59.1	-38.6	173.8	-24.6	35.4	0	0	0	112.7	A350 S356	A350-P352 VanDerWaalsContact C-CD 3.46Å; A350-P352 VanDerWaalsContact C-N 3.34Å; P352-S356 VanDerWaalsContact O-CB 3.25Å; P352-S356 WeakPolarHBondContact O-CB 3.45Å; P352-S356 PolarHBondContact O-N 3.43Å; P352-S356 PolarHBondContact O-OG 3.26Å
353	T	97.3	Very high	96	Very high	75 Å²	75	79 Å²	79	46%	0.46	44%	0.442	S	S	.	.	H	α-helix	trans	-66.5	-52.1	176.1	-50.6	0	0	0	0	110.5	A350 M351 R355 S356 F357	A350-T353 WeakPolarHBondContact O-CA 3.24Å; A350-T353 VanDerWaalsContact O-CB 3.25Å; A350-T353 WeakPolarHBondContact O-CB 3.35Å; A350-T353 PolarHBondContact O-N 2.93Å; M351-T353 VanDerWaalsContact C-N 3.27Å; M351-T353 PolarHBondContact O-N 3.49Å; T353-R355 VanDerWaalsContact C-N 3.25Å; T353-R355 PolarHBondContact O-N 3.25Å; T353-S356 WeakPolarHBondContact CA-OG 3.19Å; T353-S356 PolarHBondContact O-N 2.93Å; T353-S356 VanDerWaalsContact O-N 3.07Å; T353-S356 PolarHBondContact O-OG 3.47Å; T353-F357 HydrophobicContact CG2-CD2 3.75Å; T353-F357 HydrophobicContact CG2-CE2 3.78Å; T353-F357 VanDerWaalsContact O-CD2 3.28Å; T353-F357 WeakPolarHBondContact O-CD2 3.44Å; T353-F357 PolarHBondContact O-N 3.48Å
354	V	97.2	Very high	96.1	Very high	18 Å²	18	80.4 Å²	80.4	11%	0.109	46%	0.456	C	S	.	.	H	α-helix	trans	-54.5	-44.2	178.4	178.1	0	0	0	0	111	A347 A350 M351 F357 A358 N359 E360 E363	A347-V354 WeakPolarHBondContact O-CG2 3.37Å; A350-V354 PolarHBondContact O-N 3.36Å; M351-V354 PolarHBondContact O-N 3.11Å; V354-F357 PolarHBondContact O-N 3.12Å; V354-A358 PolarHBondContact O-N 3.43Å; V354-A358 VanDerWaalsContact O-N 3.13Å; V354-N359 PolarHBondContact O-N 3.21Å; V354-N359 VanDerWaalsContact O-N 3.13Å; V354-E360 HydrophobicContact CG1-CG 4.26Å; V354-E363 HydrophobicContact CG1-CG 4.37Å; V354-E363 HydrophobicContact CG2-CG 4.47Å
355	R	97.1	Very high	96.2	Very high	172 Å²	172	83.5 Å²	83.5	65%	0.649	47%	0.465	S	S	*	.	H	α-helix	trans	-68.5	-40	177.8	-170.8	58.5	168.3	-175.7	1.6	112.7	M351 T353 F357 A358 E360	M351-R355 WeakPolarHBondContact O-CB 3.5Å; M351-R355 PolarHBondContact O-N 3.33Å; T353-R355 VanDerWaalsContact C-N 3.25Å; T353-R355 PolarHBondContact O-N 3.25Å; R355-F357 PolarHBondContact O-N 3.09Å; R355-A358 PolarHBondContact O-N 2.94Å; R355-E360 WeakPolarHBondContact CD-OE1 3.43Å; R355-E360 IonicContact CZ-OE1 2.8Å; R355-E360 IonicContact NE-OE1 3.75Å; R355-E360 IonicContact NH1-OE1 3.93Å; R355-E360 PolarHBondContact NH1-OE1 3.03Å
356	S	97.5	Very high	96.2	Very high	86 Å²	86	81.7 Å²	81.7	60%	0.601	45%	0.452	S	S	*	.	H	α-helix	trans	-64.1	-29.5	178.2	71.2	0	0	0	0	113	P352 T353	P352-S356 VanDerWaalsContact O-CB 3.25Å; P352-S356 WeakPolarHBondContact O-CB 3.45Å; P352-S356 PolarHBondContact O-N 3.43Å; P352-S356 PolarHBondContact O-OG 3.26Å; T353-S356 WeakPolarHBondContact CA-OG 3.19Å; T353-S356 PolarHBondContact O-N 2.93Å; T353-S356 VanDerWaalsContact O-N 3.07Å; T353-S356 PolarHBondContact O-OG 3.47Å
357	F	97.5	Very high	96.2	Very high	159 Å²	159	79.8 Å²	79.8	70%	0.697	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	2.6	177.1	-72.9	-77.6	0	0	0	113.7	T353 V354 R355 N359	T353-F357 HydrophobicContact CG2-CD2 3.75Å; T353-F357 HydrophobicContact CG2-CE2 3.78Å; T353-F357 VanDerWaalsContact O-CD2 3.28Å; T353-F357 WeakPolarHBondContact O-CD2 3.44Å; T353-F357 PolarHBondContact O-N 3.48Å; V354-F357 PolarHBondContact O-N 3.12Å; R355-F357 PolarHBondContact O-N 3.09Å; F357-N359 PolarHBondContact O-N 2.74Å
358	A	96.8	Very high	96.3	Very high	78 Å²	78	84.7 Å²	84.7	65%	0.645	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	37.8	-176.8	0	0	0	0	0	113.9	V354 R355 E360	V354-A358 PolarHBondContact O-N 3.43Å; V354-A358 VanDerWaalsContact O-N 3.13Å; R355-A358 PolarHBondContact O-N 2.94Å; A358-E360 VanDerWaalsContact CA-OE2 3.31Å; A358-E360 WeakPolarHBondContact CA-OE2 3.4Å
359	N	96.4	Very high	96.3	Very high	69 Å²	69	83.5 Å²	83.5	37%	0.369	45%	0.449	S	S	.	.			trans	-99.7	24.5	-173.5	-165.7	45.1	0	0	0	113.4	V354 F357 E361 G362 E363	V354-N359 PolarHBondContact O-N 3.21Å; V354-N359 VanDerWaalsContact O-N 3.13Å; F357-N359 PolarHBondContact O-N 2.74Å; N359-E361 PolarHBondContact O-N 3.07Å; N359-G362 PolarHBondContact O-N 3.48Å; N359-E363 PolarHBondContact O-N 3.45Å
360	E	96.8	Very high	96.3	Very high	60 Å²	60	81.3 Å²	81.3	28%	0.28	43%	0.427	S	S	.	.	H	α-helix	trans	-61.7	-42.9	-177.9	-61.5	90.7	155.2	0	0	112.1	V354 R355 A358 G362 E363 A364	V354-E360 HydrophobicContact CG1-CG 4.26Å; R355-E360 WeakPolarHBondContact CD-OE1 3.43Å; R355-E360 IonicContact CZ-OE1 2.8Å; R355-E360 IonicContact NE-OE1 3.75Å; R355-E360 IonicContact NH1-OE1 3.93Å; R355-E360 PolarHBondContact NH1-OE1 3.03Å; A358-E360 VanDerWaalsContact CA-OE2 3.31Å; A358-E360 WeakPolarHBondContact CA-OE2 3.4Å; E360-G362 VanDerWaalsContact C-N 3.33Å; E360-E363 PolarHBondContact O-N 3.36Å; E360-A364 VanDerWaalsContact O-CB 3.29Å; E360-A364 WeakPolarHBondContact O-CB 3.28Å; E360-A364 PolarHBondContact O-N 3.44Å
361	E	96.9	Very high	96.3	Very high	131 Å²	131	82.9 Å²	82.9	61%	0.612	43%	0.429	S	S	*	.	H	α-helix	trans	-69.4	-33.6	179.2	-167.1	60.5	-147.2	0	0	111.7	N359 A364 Q365	N359-E361 PolarHBondContact O-N 3.07Å; E361-A364 PolarHBondContact O-N 3.26Å; E361-Q365 WeakPolarHBondContact O-CB 3.26Å; E361-Q365 PolarHBondContact O-N 2.89Å
362	G	95.6	Very high	96.3	Very high	32 Å²	32	84.6 Å²	84.6	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-47.7	175.5	0	0	0	0	0	112.1	N359 E360 Q365 K366	N359-G362 PolarHBondContact O-N 3.48Å; E360-G362 VanDerWaalsContact C-N 3.33Å; G362-Q365 PolarHBondContact O-N 2.95Å; G362-K366 WeakPolarHBondContact O-CB 3.44Å; G362-K366 PolarHBondContact O-N 3.37Å
363	E	96.1	Very high	96.1	Very high	40 Å²	40	83.8 Å²	83.8	19%	0.187	42%	0.424	C	S	.	.	H	α-helix	trans	-66.9	-37.9	174.7	-69.1	-56.2	145.3	0	0	112.1	A347 V354 N359 E360 Q365 K366 F367	A347-E363 HydrophobicContact CB-CB 4.2Å; A347-E363 HydrophobicContact CB-CG 4.06Å; V354-E363 HydrophobicContact CG1-CG 4.37Å; V354-E363 HydrophobicContact CG2-CG 4.47Å; N359-E363 PolarHBondContact O-N 3.45Å; E360-E363 PolarHBondContact O-N 3.36Å; E363-Q365 PolarHBondContact O-N 3.31Å; E363-K366 PolarHBondContact O-N 2.95Å; E363-K366 IonicContact OE2-NZ 2.89Å; E363-F367 WeakPolarHBondContact O-CB 3.36Å; E363-F367 PolarHBondContact O-N 3.39Å
364	A	96.1	Very high	95.9	Very high	46 Å²	46	81.5 Å²	81.5	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-41.6	174.7	0	0	0	0	0	112.2	E360 E361 F367 R368	E360-A364 VanDerWaalsContact O-CB 3.29Å; E360-A364 WeakPolarHBondContact O-CB 3.28Å; E360-A364 PolarHBondContact O-N 3.44Å; E361-A364 PolarHBondContact O-N 3.26Å; A364-F367 PolarHBondContact O-N 2.87Å; A364-R368 WeakPolarHBondContact O-CB 3.42Å; A364-R368 PolarHBondContact O-N 2.93Å
365	Q	97	Very high	95.7	Very high	94 Å²	94	86.8 Å²	86.8	44%	0.439	43%	0.43	S	S	.	.	H	α-helix	trans	-69.2	-40.6	177.3	-175.6	61.8	9.7	0	0	111.9	E361 G362 E363 F367 R368 Q369	E361-Q365 WeakPolarHBondContact O-CB 3.26Å; E361-Q365 PolarHBondContact O-N 2.89Å; G362-Q365 PolarHBondContact O-N 2.95Å; E363-Q365 PolarHBondContact O-N 3.31Å; Q365-F367 VanDerWaalsContact C-N 3.32Å; Q365-F367 PolarHBondContact O-N 2.95Å; Q365-R368 PolarHBondContact O-N 3.33Å; Q365-Q369 PolarHBondContact O-N 3.13Å
366	K	95.3	Very high	95.6	Very high	75 Å²	75	82 Å²	82	33%	0.326	42%	0.421	S	S	.	.	H	α-helix	trans	-59.6	-42.6	173.4	-174.9	-176.9	171.6	-166.4	0	111.3	V343 E346 G362 E363 Q369 K370	V343-K366 HydrophobicContact CG1-CD 4.02Å; V343-K366 HydrophobicContact CG1-CG 4.08Å; E346-K366 IonicContact OE2-NZ 2.98Å; G362-K366 WeakPolarHBondContact O-CB 3.44Å; G362-K366 PolarHBondContact O-N 3.37Å; E363-K366 PolarHBondContact O-N 2.95Å; E363-K366 IonicContact OE2-NZ 2.89Å; K366-Q369 PolarHBondContact O-N 3.13Å; K366-K370 PolarHBondContact O-N 2.91Å
367	F	95.9	Very high	95.3	Very high	73 Å²	73	80.1 Å²	80.1	32%	0.32	40%	0.404	S	S	.	.	H	α-helix	trans	-65.3	-44.7	174.6	-172.1	-102.1	0	0	0	111.9	S340 A344 E363 A364 Q365 Q369 K370 L371	S340-F367 WeakPolarHBondContact O-CE2 3.36Å; A344-F367 HydrophobicContact CB-CD2 4.23Å; A344-F367 HydrophobicContact CB-CE2 3.92Å; E363-F367 WeakPolarHBondContact O-CB 3.36Å; E363-F367 PolarHBondContact O-N 3.39Å; A364-F367 PolarHBondContact O-N 2.87Å; Q365-F367 VanDerWaalsContact C-N 3.32Å; Q365-F367 PolarHBondContact O-N 2.95Å; F367-Q369 VanDerWaalsContact C-N 3.34Å; F367-Q369 PolarHBondContact O-N 3.34Å; F367-K370 PolarHBondContact O-N 3.05Å; F367-K370 VanDerWaalsContact O-N 3.16Å; F367-L371 HydrophobicContact CD1-CD1 3.85Å; F367-L371 HydrophobicContact CD1-CG 4.28Å; F367-L371 HydrophobicContact CE1-CD1 3.5Å; F367-L371 HydrophobicContact CE1-CD2 4.4Å; F367-L371 HydrophobicContact CE1-CG 4.02Å; F367-L371 HydrophobicContact CZ-CD1 4.28Å; F367-L371 HydrophobicContact CZ-CD2 4.39Å; F367-L371 HydrophobicContact CZ-CG 4.42Å; F367-L371 PolarHBondContact O-N 2.91Å
368	R	96.6	Very high	95.1	Very high	118 Å²	118	76.2 Å²	76.2	45%	0.445	39%	0.39	S	S	.	.	H	α-helix	trans	-57.3	-45.2	175.5	-176.6	-178.5	-73.3	131.4	-3.8	111.8	A364 Q365 K370 L371 E372	A364-R368 WeakPolarHBondContact O-CB 3.42Å; A364-R368 PolarHBondContact O-N 2.93Å; Q365-R368 PolarHBondContact O-N 3.33Å; R368-K370 VanDerWaalsContact C-N 3.31Å; R368-K370 PolarHBondContact O-N 3.25Å; R368-L371 WeakPolarHBondContact O-CB 3.36Å; R368-L371 PolarHBondContact O-N 3.41Å; R368-L371 VanDerWaalsContact O-N 3.14Å; R368-E372 WeakPolarHBondContact O-CG 3.4Å; R368-E372 PolarHBondContact O-N 3.34Å
369	Q	96	Very high	95	Very high	102 Å²	102	79.3 Å²	79.3	48%	0.477	39%	0.389	S	S	.	.	H	α-helix	trans	-58.1	-42.9	176.9	-176.6	-178.3	-5.9	0	0	111.7	Q365 K366 F367 L371 E372 E373	Q365-Q369 PolarHBondContact O-N 3.13Å; K366-Q369 PolarHBondContact O-N 3.13Å; F367-Q369 VanDerWaalsContact C-N 3.34Å; F367-Q369 PolarHBondContact O-N 3.34Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; Q369-L371 PolarHBondContact O-N 2.81Å; Q369-E372 PolarHBondContact O-N 3.11Å; Q369-E373 PolarHBondContact NE2-OE1 2.88Å; Q369-E373 WeakPolarHBondContact O-CG 3.46Å; Q369-E373 PolarHBondContact O-N 2.78Å
370	K	93.4	Very high	94.9	Very high	55 Å²	55	82.4 Å²	82.4	24%	0.239	40%	0.399	C	S	.	.	H	α-helix	trans	-64.5	-36.6	176.8	-69.2	-72.2	156.7	-147.9	0	112.7	V343 K366 F367 R368 E373 M374	V343-K370 HydrophobicContact CG2-CG 4.41Å; K366-K370 PolarHBondContact O-N 2.91Å; F367-K370 PolarHBondContact O-N 3.05Å; F367-K370 VanDerWaalsContact O-N 3.16Å; R368-K370 VanDerWaalsContact C-N 3.31Å; R368-K370 PolarHBondContact O-N 3.25Å; K370-E373 IonicContact NZ-OE1 2.75Å; K370-E373 PolarHBondContact NZ-OE1 3.12Å; K370-E373 IonicContact NZ-OE2 3.59Å; K370-E373 PolarHBondContact NZ-OE2 3.33Å; K370-M374 PolarHBondContact O-N 3.38Å
371	L	94.6	Very high	94.7	Very high	69 Å²	69	81 Å²	81	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-68.3	-37.6	173.4	-67.4	179.2	0	0	0	112.3	F367 R368 Q369 M374 K375	F367-L371 HydrophobicContact CD1-CD1 3.85Å; F367-L371 HydrophobicContact CD1-CG 4.28Å; F367-L371 HydrophobicContact CE1-CD1 3.5Å; F367-L371 HydrophobicContact CE1-CD2 4.4Å; F367-L371 HydrophobicContact CE1-CG 4.02Å; F367-L371 HydrophobicContact CZ-CD1 4.28Å; F367-L371 HydrophobicContact CZ-CD2 4.39Å; F367-L371 HydrophobicContact CZ-CG 4.42Å; F367-L371 PolarHBondContact O-N 2.91Å; R368-L371 WeakPolarHBondContact O-CB 3.36Å; R368-L371 PolarHBondContact O-N 3.41Å; R368-L371 VanDerWaalsContact O-N 3.14Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; Q369-L371 PolarHBondContact O-N 2.81Å; L371-M374 HydrophobicContact CD2-CE 4.17Å; L371-M374 WeakPolarHBondContact O-CB 3.43Å; L371-M374 PolarHBondContact O-N 2.8Å; L371-K375 PolarHBondContact O-N 3.31Å; L371-K375 VanDerWaalsContact O-N 3.09Å
372	E	95.4	Very high	94.5	Very high	121 Å²	121	77 Å²	77	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-67.4	-39.5	176.2	-73.8	-174.6	171	0	0	112.4	R368 Q369 M374 K375 P376	R368-E372 WeakPolarHBondContact O-CG 3.4Å; R368-E372 PolarHBondContact O-N 3.34Å; Q369-E372 PolarHBondContact O-N 3.11Å; E372-M374 PolarHBondContact O-N 3.41Å; E372-K375 WeakPolarHBondContact O-CB 3.31Å; E372-K375 PolarHBondContact O-N 2.81Å; E372-P376 WeakPolarHBondContact O-CD 3.47Å
373	E	92	Very high	94.5	Very high	87 Å²	87	81.1 Å²	81.1	41%	0.407	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-35.3	171.3	-74.1	172.4	-167.5	0	0	111.9	Q369 K370 P376	Q369-E373 PolarHBondContact NE2-OE1 2.88Å; Q369-E373 WeakPolarHBondContact O-CG 3.46Å; Q369-E373 PolarHBondContact O-N 2.78Å; K370-E373 IonicContact NZ-OE1 2.75Å; K370-E373 PolarHBondContact NZ-OE1 3.12Å; K370-E373 IonicContact NZ-OE2 3.59Å; K370-E373 PolarHBondContact NZ-OE2 3.33Å; E373-P376 WeakPolarHBondContact O-CD 3.35Å
374	M	93.3	Very high	94.3	Very high	26 Å²	26	80 Å²	80	13%	0.128	39%	0.393	C	S	.	.	H	α-helix	trans	-76	-31.9	178.8	-170.5	179.6	69.9	0	0	113.3	V333 S336 L337 K370 L371 E372 L377 N378	V333-M374 HydrophobicContact CG1-CG 4.5Å; V333-M374 HydrophobicContact CG1-SD 4.41Å; S336-M374 WeakPolarHBondContact OG-CB 3.35Å; L337-M374 HydrophobicContact CB-SD 4.22Å; L337-M374 HydrophobicContact CD1-SD 4.32Å; K370-M374 PolarHBondContact O-N 3.38Å; L371-M374 HydrophobicContact CD2-CE 4.17Å; L371-M374 WeakPolarHBondContact O-CB 3.43Å; L371-M374 PolarHBondContact O-N 2.8Å; E372-M374 PolarHBondContact O-N 3.41Å; M374-L377 WeakPolarHBondContact O-CB 3.46Å; M374-L377 PolarHBondContact O-N 2.96Å; M374-N378 PolarHBondContact O-N 3.2Å
375	K	93.6	Very high	94	Very high	129 Å²	129	83.5 Å²	83.5	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-51.3	-47.5	-175.3	-166.7	175.6	-174.3	174.3	0	115	L371 E372 L377 N378 K379	L371-K375 PolarHBondContact O-N 3.31Å; L371-K375 VanDerWaalsContact O-N 3.09Å; E372-K375 WeakPolarHBondContact O-CB 3.31Å; E372-K375 PolarHBondContact O-N 2.81Å; K375-L377 VanDerWaalsContact C-N 3.33Å; K375-L377 PolarHBondContact O-N 3.21Å; K375-N378 PolarHBondContact O-N 2.94Å; K375-K379 WeakPolarHBondContact O-CG 3.34Å; K375-K379 PolarHBondContact O-N 3.47Å
376	P	94.8	Very high	93.8	Very high	71 Å²	71	82.1 Å²	82.1	46%	0.461	40%	0.396	S	S	.	.	H	α-helix	trans	-67.8	-31.2	177.9	27	-35.6	0	0	0	113	E372 E373 K380	E372-P376 WeakPolarHBondContact O-CD 3.47Å; E373-P376 WeakPolarHBondContact O-CD 3.35Å; P376-K380 WeakPolarHBondContact O-CG 3.49Å; P376-K380 PolarHBondContact O-N 2.84Å
377	L	92.2	Very high	93.6	Very high	47 Å²	47	81.2 Å²	81.2	25%	0.246	40%	0.396	C	S	.	.	H	α-helix	trans	-67.6	-47.1	174.9	-69	166.8	0	0	0	110.4	K332 V333 M374 K375 K379 K380 E381	K332-L377 HydrophobicContact CB-CD2 4.47Å; V333-L377 HydrophobicContact CG2-CB 3.73Å; M374-L377 WeakPolarHBondContact O-CB 3.46Å; M374-L377 PolarHBondContact O-N 2.96Å; K375-L377 VanDerWaalsContact C-N 3.33Å; K375-L377 PolarHBondContact O-N 3.21Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 2.72Å; L377-K380 WeakPolarHBondContact O-CB 3.39Å; L377-K380 PolarHBondContact O-N 3.34Å; L377-K380 VanDerWaalsContact O-N 3.1Å; L377-E381 PolarHBondContact O-N 3.5Å
378	N	92.4	Very high	93.1	Very high	77 Å²	77	80.2 Å²	80.2	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-61.4	-40.5	178.5	-165.4	3.2	0	0	0	111.9	M374 K375 K380 E381 A382	M374-N378 PolarHBondContact O-N 3.2Å; K375-N378 PolarHBondContact O-N 2.94Å; N378-K380 VanDerWaalsContact C-N 3.35Å; N378-K380 PolarHBondContact O-N 3.36Å; N378-E381 PolarHBondContact O-N 3.11Å; N378-A382 WeakPolarHBondContact O-CB 3.23Å; N378-A382 PolarHBondContact O-N 2.96Å
379	K	95	Very high	92.6	Very high	143 Å²	143	77.1 Å²	77.1	62%	0.622	39%	0.387	S	S	*	.	H	α-helix	trans	-59.4	-42.1	172.7	-75.9	-176.2	177	-173.9	0	112.9	K375 L377 L383	K375-K379 WeakPolarHBondContact O-CG 3.34Å; K375-K379 PolarHBondContact O-N 3.47Å; L377-K379 VanDerWaalsContact C-N 3.34Å; L377-K379 PolarHBondContact O-N 2.72Å; K379-L383 PolarHBondContact O-N 2.83Å; K379-L383 VanDerWaalsContact O-N 3.12Å
380	K	93.9	Very high	92.3	Very high	134 Å²	134	80.9 Å²	80.9	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-67.5	-41.5	177.4	-73.6	177	-179.1	178.8	0	111.5	L329 P376 L377 N378 L383 A384	L329-K380 HydrophobicContact CD1-CB 4.32Å; L329-K380 HydrophobicContact CD2-CB 4.17Å; P376-K380 WeakPolarHBondContact O-CG 3.49Å; P376-K380 PolarHBondContact O-N 2.84Å; L377-K380 WeakPolarHBondContact O-CB 3.39Å; L377-K380 PolarHBondContact O-N 3.34Å; L377-K380 VanDerWaalsContact O-N 3.1Å; N378-K380 VanDerWaalsContact C-N 3.35Å; N378-K380 PolarHBondContact O-N 3.36Å; K380-L383 PolarHBondContact O-N 2.91Å; K380-A384 WeakPolarHBondContact O-CB 3.42Å; K380-A384 PolarHBondContact O-N 3.23Å
381	E	92.9	Very high	92	Very high	31 Å²	31	79.9 Å²	79.9	15%	0.145	40%	0.395	C	S	.	.	H	α-helix	trans	-61.4	-48.6	175.3	-175	-173.1	-175.4	0	0	111.4	Y326 L329 A330 V333 L377 N378 L383 A384 Y385	Y326-E381 HydrophobicContact CD2-CG 4.15Å; Y326-E381 HydrophobicContact CE2-CG 3.9Å; L329-E381 HydrophobicContact CB-CB 4.14Å; L329-E381 HydrophobicContact CB-CG 4.37Å; A330-E381 WeakPolarHBondContact CA-OE1 3.45Å; A330-E381 WeakPolarHBondContact CB-OE1 3.45Å; V333-E381 VanDerWaalsContact CB-OE2 3.26Å; V333-E381 WeakPolarHBondContact CB-OE2 3.47Å; V333-E381 WeakPolarHBondContact CG1-OE2 3.4Å; V333-E381 HydrophobicContact CG2-CB 4.26Å; V333-E381 WeakPolarHBondContact CG2-OE2 3.37Å; L377-E381 PolarHBondContact O-N 3.5Å; N378-E381 PolarHBondContact O-N 3.11Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3Å; E381-A384 WeakPolarHBondContact O-CB 3.42Å; E381-A384 PolarHBondContact O-N 3.44Å; E381-A384 VanDerWaalsContact O-N 3.08Å; E381-Y385 PolarHBondContact O-N 3.48Å
382	A	93.5	Very high	91.5	Very high	47 Å²	47	79.3 Å²	79.3	39%	0.388	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-42.5	177.7	0	0	0	0	0	112.1	N378 Y385 V386	N378-A382 WeakPolarHBondContact O-CB 3.23Å; N378-A382 PolarHBondContact O-N 2.96Å; A382-Y385 PolarHBondContact O-N 2.81Å; A382-V386 WeakPolarHBondContact O-CG2 3.26Å; A382-V386 PolarHBondContact O-N 2.7Å
383	L	94.1	Very high	91	Very high	118 Å²	118	76.5 Å²	76.5	62%	0.618	39%	0.385	S	S	*	.	H	α-helix	trans	-64.4	-41.4	174.9	-175.5	65.5	0	0	0	111.9	K379 K380 E381 T387	K379-L383 PolarHBondContact O-N 2.83Å; K379-L383 VanDerWaalsContact O-N 3.12Å; K380-L383 PolarHBondContact O-N 2.91Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3Å; L383-T387 WeakPolarHBondContact O-CB 3.26Å; L383-T387 PolarHBondContact O-N 2.94Å; L383-T387 PolarHBondContact O-OG1 2.64Å
384	A	91.5	Very high	90.8	Very high	16 Å²	16	76.8 Å²	76.8	13%	0.132	39%	0.393	C	S	.	.	H	α-helix	trans	-63.9	-41.5	176.6	0	0	0	0	0	111.9	L329 K380 E381 T387 E388	L329-A384 HydrophobicContact CD1-CB 3.69Å; K380-A384 WeakPolarHBondContact O-CB 3.42Å; K380-A384 PolarHBondContact O-N 3.23Å; E381-A384 WeakPolarHBondContact O-CB 3.42Å; E381-A384 PolarHBondContact O-N 3.44Å; E381-A384 VanDerWaalsContact O-N 3.08Å; A384-T387 PolarHBondContact O-N 3.34Å; A384-E388 WeakPolarHBondContact O-CB 3.32Å; A384-E388 PolarHBondContact O-N 2.79Å
385	Y	91	Very high	90.4	Very high	120 Å²	120	76.5 Å²	76.5	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-60.5	-51.2	175	172.8	-102.9	0	0	0	111.8	Y326 E381 A382 T387 E388 V389	Y326-Y385 HydrophobicContact CE2-CD2 4.12Å; Y326-Y385 HydrophobicContact CE2-CG 4.43Å; E381-Y385 PolarHBondContact O-N 3.48Å; A382-Y385 PolarHBondContact O-N 2.81Å; Y385-T387 VanDerWaalsContact C-N 3.28Å; Y385-T387 PolarHBondContact O-N 2.59Å; Y385-E388 WeakPolarHBondContact O-CB 3.41Å; Y385-E388 PolarHBondContact O-N 3.46Å; Y385-V389 HydrophobicContact CD1-CG2 4.5Å; Y385-V389 HydrophobicContact CD2-CG2 4.18Å; Y385-V389 HydrophobicContact CE1-CG2 4.09Å; Y385-V389 HydrophobicContact CE2-CG2 3.73Å; Y385-V389 WeakPolarHBondContact O-CG2 3.45Å; Y385-V389 PolarHBondContact O-N 2.93Å
386	V	92.4	Very high	89.9	Confident	66 Å²	66	71.2 Å²	71.2	40%	0.4	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-43	177.7	173.1	0	0	0	0	110.7	A382 E388 V389 W390	A382-V386 WeakPolarHBondContact O-CG2 3.26Å; A382-V386 PolarHBondContact O-N 2.7Å; V386-E388 VanDerWaalsContact C-N 3.35Å; V386-E388 PolarHBondContact O-N 3.45Å; V386-V389 PolarHBondContact O-N 3.37Å; V386-W390 HydrophobicContact CG1-CD2 4.45Å; V386-W390 HydrophobicContact CG1-CG 4.37Å; V386-W390 WeakPolarHBondContact O-CB 3.38Å; V386-W390 PolarHBondContact O-N 2.84Å
387	T	90.6	Very high	89.4	Confident	56 Å²	56	73.6 Å²	73.6	34%	0.344	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-41	178.6	-54.8	0	0	0	0	111.8	L322 L383 A384 Y385 T391	L322-T387 HydrophobicContact CD1-CG2 4.21Å; L322-T387 HydrophobicContact CD2-CG2 4.19Å; L383-T387 WeakPolarHBondContact O-CB 3.26Å; L383-T387 PolarHBondContact O-N 2.94Å; L383-T387 PolarHBondContact O-OG1 2.64Å; A384-T387 PolarHBondContact O-N 3.34Å; Y385-T387 VanDerWaalsContact C-N 3.28Å; Y385-T387 PolarHBondContact O-N 2.59Å; T387-T391 VanDerWaalsContact O-CB 3.28Å; T387-T391 WeakPolarHBondContact O-CB 3.49Å; T387-T391 PolarHBondContact O-N 2.98Å; T387-T391 PolarHBondContact O-OG1 3.41Å
388	E	85.9	Confident	89.1	Confident	51 Å²	51	77.1 Å²	77.1	24%	0.238	40%	0.401	C	S	.	.	H	α-helix	trans	-63.3	-52.7	175.4	-177.9	-174.3	-169.7	0	0	111.6	Y326 A384 Y385 V386 W390 T391 M392	Y326-E388 WeakPolarHBondContact CD1-OE2 3.29Å; A384-E388 WeakPolarHBondContact O-CB 3.32Å; A384-E388 PolarHBondContact O-N 2.79Å; Y385-E388 WeakPolarHBondContact O-CB 3.41Å; Y385-E388 PolarHBondContact O-N 3.46Å; V386-E388 VanDerWaalsContact C-N 3.35Å; V386-E388 PolarHBondContact O-N 3.45Å; E388-W390 VanDerWaalsContact C-N 3.33Å; E388-W390 PolarHBondContact O-N 3.38Å; E388-T391 PolarHBondContact O-N 2.87Å; E388-M392 PolarHBondContact O-N 2.84Å
389	V	86.9	Confident	88.7	Confident	54 Å²	54	74.5 Å²	74.5	33%	0.327	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-42.2	-178	173.2	0	0	0	0	111.5	Y385 V386 S393	Y385-V389 HydrophobicContact CD1-CG2 4.5Å; Y385-V389 HydrophobicContact CD2-CG2 4.18Å; Y385-V389 HydrophobicContact CE1-CG2 4.09Å; Y385-V389 HydrophobicContact CE2-CG2 3.73Å; Y385-V389 WeakPolarHBondContact O-CG2 3.45Å; Y385-V389 PolarHBondContact O-N 2.93Å; V386-V389 PolarHBondContact O-N 3.37Å; V389-S393 WeakPolarHBondContact O-CB 2.99Å; V389-S393 PolarHBondContact O-N 3.42Å; V389-S393 PolarHBondContact O-OG 3.04Å
390	W	89.6	Confident	88.1	Confident	181 Å²	181	72.9 Å²	72.9	69%	0.686	38%	0.379	S	S	*	.	H	α-helix	trans	-67	-43.4	176.7	-81.9	31.1	0	0	0	111.5	V386 E388 M392 S393 V394	V386-W390 HydrophobicContact CG1-CD2 4.45Å; V386-W390 HydrophobicContact CG1-CG 4.37Å; V386-W390 WeakPolarHBondContact O-CB 3.38Å; V386-W390 PolarHBondContact O-N 2.84Å; E388-W390 VanDerWaalsContact C-N 3.33Å; E388-W390 PolarHBondContact O-N 3.38Å; W390-M392 VanDerWaalsContact C-N 3.32Å; W390-M392 PolarHBondContact O-N 3.4Å; W390-S393 PolarHBondContact O-N 2.93Å; W390-V394 WeakPolarHBondContact O-CB 3.2Å; W390-V394 VanDerWaalsContact O-CG2 3.29Å; W390-V394 WeakPolarHBondContact O-CG2 3.41Å; W390-V394 PolarHBondContact O-N 3.33Å
391	T	87.1	Confident	87.7	Confident	34 Å²	34	71.1 Å²	71.1	21%	0.209	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-41.8	177.8	-58	0	0	0	0	111.2	L318 L322 T387 E388 S395	L318-T391 HydrophobicContact CB-CG2 4.29Å; L318-T391 HydrophobicContact CD2-CG2 4.4Å; L322-T391 HydrophobicContact CD1-CG2 3.69Å; L322-T391 WeakPolarHBondContact CD1-OG1 3.34Å; T387-T391 VanDerWaalsContact O-CB 3.28Å; T387-T391 WeakPolarHBondContact O-CB 3.49Å; T387-T391 PolarHBondContact O-N 2.98Å; T387-T391 PolarHBondContact O-OG1 3.41Å; E388-T391 PolarHBondContact O-N 2.87Å; T391-S395 VanDerWaalsContact O-CB 3.26Å; T391-S395 WeakPolarHBondContact O-CB 3.28Å; T391-S395 PolarHBondContact O-N 3.07Å; T391-S395 PolarHBondContact O-OG 3.26Å; T391-S395 VanDerWaalsContact O-OG 3.13Å
392	M	83.3	Confident	87.4	Confident	56 Å²	56	71.1 Å²	71.1	28%	0.276	39%	0.388	S	S	.	.	H	α-helix	trans	-61.9	-48.3	174.2	-173.9	66.7	104.1	0	0	111.2	L315 P319 E388 W390 S395 G396	L315-M392 HydrophobicContact CD2-SD 4.34Å; P319-M392 HydrophobicContact CB-CE 4.17Å; P319-M392 HydrophobicContact CB-SD 4.21Å; P319-M392 HydrophobicContact CG-CB 4.47Å; P319-M392 HydrophobicContact CG-CE 4.34Å; P319-M392 HydrophobicContact CG-SD 3.77Å; E388-M392 PolarHBondContact O-N 2.84Å; W390-M392 VanDerWaalsContact C-N 3.32Å; W390-M392 PolarHBondContact O-N 3.4Å; M392-S395 PolarHBondContact O-N 3.12Å; M392-S395 PolarHBondContact O-OG 3.41Å; M392-G396 PolarHBondContact O-N 3.28Å
393	S	85.2	Confident	87	Confident	63 Å²	63	69 Å²	69	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-47.8	179	-62.2	0	0	0	0	112.7	V389 W390 G396 M397	V389-S393 WeakPolarHBondContact O-CB 2.99Å; V389-S393 PolarHBondContact O-N 3.42Å; V389-S393 PolarHBondContact O-OG 3.04Å; W390-S393 PolarHBondContact O-N 2.93Å; S393-G396 PolarHBondContact O-N 2.94Å; S393-M397 WeakPolarHBondContact O-CG 3.36Å; S393-M397 PolarHBondContact O-N 3.45Å
394	V	87.6	Confident	86.7	Confident	92 Å²	92	68.6 Å²	68.6	56%	0.558	37%	0.368	S	S	*	.	H	α-helix	trans	-65.6	-42.7	179.9	171	0	0	0	0	110.9	W390 G396 M397 L398	W390-V394 WeakPolarHBondContact O-CB 3.2Å; W390-V394 VanDerWaalsContact O-CG2 3.29Å; W390-V394 WeakPolarHBondContact O-CG2 3.41Å; W390-V394 PolarHBondContact O-N 3.33Å; V394-G396 VanDerWaalsContact C-N 3.33Å; V394-G396 PolarHBondContact O-N 3.3Å; V394-M397 PolarHBondContact O-N 3.47Å; V394-L398 WeakPolarHBondContact O-CB 3.28Å; V394-L398 PolarHBondContact O-N 3.3Å
395	S	84.2	Confident	86.6	Confident	20 Å²	20	75.1 Å²	75.1	14%	0.14	39%	0.39	C	S	.	.	H	α-helix	trans	-62.7	-40.5	177	72.4	0	0	0	0	112	T391 M392 L398 L399	T391-S395 VanDerWaalsContact O-CB 3.26Å; T391-S395 WeakPolarHBondContact O-CB 3.28Å; T391-S395 PolarHBondContact O-N 3.07Å; T391-S395 PolarHBondContact O-OG 3.26Å; T391-S395 VanDerWaalsContact O-OG 3.13Å; M392-S395 PolarHBondContact O-N 3.12Å; M392-S395 PolarHBondContact O-OG 3.41Å; S395-L398 PolarHBondContact O-N 2.67Å; S395-L399 PolarHBondContact O-N 3.08Å
396	G	83.2	Confident	86.5	Confident	19 Å²	19	71.7 Å²	71.7	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-65.4	-40.3	173.2	0	0	0	0	0	113.5	M392 S393 V394 L399 K400	M392-G396 PolarHBondContact O-N 3.28Å; S393-G396 PolarHBondContact O-N 2.94Å; V394-G396 VanDerWaalsContact C-N 3.33Å; V394-G396 PolarHBondContact O-N 3.3Å; G396-L399 PolarHBondContact O-N 2.9Å; G396-K400 WeakPolarHBondContact O-CG 3.37Å; G396-K400 PolarHBondContact O-N 3.48Å
397	M	85.4	Confident	86.2	Confident	120 Å²	120	68.6 Å²	68.6	59%	0.591	36%	0.361	S	S	*	.	H	α-helix	trans	-65.4	-43	174.3	-72.4	170.5	78.6	0	0	111.7	S393 V394 L399 K400 V401	S393-M397 WeakPolarHBondContact O-CG 3.36Å; S393-M397 PolarHBondContact O-N 3.45Å; V394-M397 PolarHBondContact O-N 3.47Å; M397-L399 VanDerWaalsContact C-N 3.29Å; M397-L399 PolarHBondContact O-N 2.7Å; M397-K400 WeakPolarHBondContact O-CB 3.37Å; M397-K400 PolarHBondContact O-N 3.46Å; M397-K400 VanDerWaalsContact O-N 3.16Å; M397-V401 WeakPolarHBondContact O-CG2 3.3Å; M397-V401 PolarHBondContact O-N 2.99Å
398	L	86.4	Confident	86.1	Confident	122 Å²	122	67.1 Å²	67.1	64%	0.639	36%	0.357	S	S	*	.	H	α-helix	trans	-59.5	-41.6	176.4	-175.5	64.7	0	0	0	111.3	V394 S395 V401 G402	V394-L398 WeakPolarHBondContact O-CB 3.28Å; V394-L398 PolarHBondContact O-N 3.3Å; S395-L398 PolarHBondContact O-N 2.67Å; L398-V401 PolarHBondContact O-N 3.29Å; L398-G402 PolarHBondContact O-N 3.4Å
399	L	83.2	Confident	86.3	Confident	21 Å²	21	68 Å²	68	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-46.4	174.2	-179.8	59.6	0	0	0	111.9	S311 L315 S395 G396 M397 V401 G402 I403	S311-L399 WeakPolarHBondContact OG-CD1 3.32Å; L315-L399 HydrophobicContact CD1-CB 4.32Å; L315-L399 HydrophobicContact CD1-CD2 3.46Å; L315-L399 VanDerWaalsContact CD1-CD2 3.46Å; S395-L399 PolarHBondContact O-N 3.08Å; G396-L399 PolarHBondContact O-N 2.9Å; M397-L399 VanDerWaalsContact C-N 3.29Å; M397-L399 PolarHBondContact O-N 2.7Å; L399-V401 PolarHBondContact O-N 2.82Å; L399-G402 PolarHBondContact O-N 3.06Å; L399-I403 HydrophobicContact CD1-CD1 3.61Å; L399-I403 HydrophobicContact CD1-CG1 4.11Å; L399-I403 HydrophobicContact CD2-CD1 4.49Å; L399-I403 HydrophobicContact CG-CD1 3.76Å; L399-I403 WeakPolarHBondContact O-CG1 3.37Å; L399-I403 PolarHBondContact O-N 3.01Å
400	K	81.9	Confident	86.3	Confident	109 Å²	109	66.7 Å²	66.7	47%	0.474	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-47.2	177.5	-71	170	-172.5	-179.8	0	111.6	G396 M397 I403 L404	G396-K400 WeakPolarHBondContact O-CG 3.37Å; G396-K400 PolarHBondContact O-N 3.48Å; M397-K400 WeakPolarHBondContact O-CB 3.37Å; M397-K400 PolarHBondContact O-N 3.46Å; M397-K400 VanDerWaalsContact O-N 3.16Å; K400-I403 PolarHBondContact O-N 3.48Å; K400-L404 WeakPolarHBondContact O-CB 3.15Å; K400-L404 PolarHBondContact O-N 2.85Å
401	V	86.9	Confident	86.2	Confident	97 Å²	97	60.3 Å²	60.3	59%	0.588	33%	0.333	S	S	*	.	H	α-helix	trans	-63.3	-43.4	178.1	174.1	0	0	0	0	110.7	M397 L398 L399 I403 L404 Y405	M397-V401 WeakPolarHBondContact O-CG2 3.3Å; M397-V401 PolarHBondContact O-N 2.99Å; L398-V401 PolarHBondContact O-N 3.29Å; L399-V401 PolarHBondContact O-N 2.82Å; V401-I403 PolarHBondContact O-N 3.25Å; V401-L404 PolarHBondContact O-N 2.9Å; V401-Y405 WeakPolarHBondContact O-CB 3.27Å; V401-Y405 PolarHBondContact O-N 2.9Å
402	G	86.7	Confident	86.3	Confident	31 Å²	31	65 Å²	65	32%	0.32	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-42.9	177.5	0	0	0	0	0	112.9	L398 L399 Y405 L406	L398-G402 PolarHBondContact O-N 3.4Å; L399-G402 PolarHBondContact O-N 3.06Å; G402-Y405 PolarHBondContact O-N 3.37Å; G402-L406 WeakPolarHBondContact O-CB 3.36Å; G402-L406 WeakPolarHBondContact O-CG 3.48Å; G402-L406 PolarHBondContact O-N 3.28Å
403	I	85.2	Confident	86.4	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.015	38%	0.383	C	S	.	.	H	α-helix	trans	-70.8	-39.7	178	-68	166.9	0	0	0	111.3	T308 L399 K400 V401 Y405 G407 F424 V425 Q428	T308-I403 HydrophobicContact CG2-CD1 3.68Å; T308-I403 HydrophobicContact CG2-CG1 4.38Å; L399-I403 HydrophobicContact CD1-CD1 3.61Å; L399-I403 HydrophobicContact CD1-CG1 4.11Å; L399-I403 HydrophobicContact CD2-CD1 4.49Å; L399-I403 HydrophobicContact CG-CD1 3.76Å; L399-I403 WeakPolarHBondContact O-CG1 3.37Å; L399-I403 PolarHBondContact O-N 3.01Å; K400-I403 PolarHBondContact O-N 3.48Å; V401-I403 PolarHBondContact O-N 3.25Å; I403-Y405 VanDerWaalsContact C-N 3.33Å; I403-G407 WeakPolarHBondContact O-CA 3.24Å; I403-G407 PolarHBondContact O-N 3.18Å; I403-F424 HydrophobicContact CG2-CD1 4.33Å; I403-F424 HydrophobicContact CG2-CE1 4.14Å; I403-V425 HydrophobicContact CG2-CG2 4.47Å; I403-Q428 HydrophobicContact CD1-CG 3.68Å; I403-Q428 VanDerWaalsContact CD1-NE2 3.3Å
404	L	86	Confident	86.2	Confident	109 Å²	109	71.8 Å²	71.8	57%	0.571	40%	0.395	S	S	*	.	H	α-helix	trans	-64.7	-39.4	176	-174.2	63.9	0	0	0	111.5	K400 V401 G408	K400-L404 WeakPolarHBondContact O-CB 3.15Å; K400-L404 PolarHBondContact O-N 2.85Å; V401-L404 PolarHBondContact O-N 2.9Å; L404-G408 WeakPolarHBondContact O-CA 3.4Å; L404-G408 PolarHBondContact O-N 3.46Å
405	Y	89.5	Confident	86	Confident	154 Å²	154	71 Å²	71	60%	0.604	40%	0.397	S	S	*	.	H	α-helix	trans	-65.6	-50.5	176.5	-176.4	-98.3	0	0	0	111.7	V401 G402 I403 G408 Q409	V401-Y405 WeakPolarHBondContact O-CB 3.27Å; V401-Y405 PolarHBondContact O-N 2.9Å; G402-Y405 PolarHBondContact O-N 3.37Å; I403-Y405 VanDerWaalsContact C-N 3.33Å; Y405-G408 PolarHBondContact O-N 3.33Å; Y405-Q409 VanDerWaalsContact CZ-NE2 3.29Å; Y405-Q409 WeakPolarHBondContact O-CG 2.99Å; Y405-Q409 PolarHBondContact O-N 3.21Å; Y405-Q409 PolarHBondContact OH-NE2 3.18Å; Y405-Q409 VanDerWaalsContact OH-NE2 3.16Å
406	L	88.8	Confident	85.9	Confident	48 Å²	48	70.7 Å²	70.7	25%	0.251	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-45.3	178.6	-70.3	171.2	0	0	0	111.9	V307 G402 G408 Q409 L410	V307-L406 HydrophobicContact CG1-CD1 3.7Å; V307-L406 HydrophobicContact CG2-CD1 4.41Å; G402-L406 WeakPolarHBondContact O-CB 3.36Å; G402-L406 WeakPolarHBondContact O-CG 3.48Å; G402-L406 PolarHBondContact O-N 3.28Å; L406-G408 VanDerWaalsContact C-N 3.35Å; L406-Q409 PolarHBondContact O-N 2.89Å; L406-L410 WeakPolarHBondContact O-CD1 3.46Å; L406-L410 PolarHBondContact O-N 3.26Å; L406-L410 VanDerWaalsContact O-N 3.11Å
407	G	87.9	Confident	86	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-40.5	175.7	0	0	0	0	0	112.4	I403 Q409 L410 V411	I403-G407 WeakPolarHBondContact O-CA 3.24Å; I403-G407 PolarHBondContact O-N 3.18Å; G407-Q409 PolarHBondContact O-N 2.88Å; G407-L410 WeakPolarHBondContact O-CB 3.47Å; G407-L410 PolarHBondContact O-N 3.47Å; G407-L410 VanDerWaalsContact O-N 3.09Å; G407-V411 WeakPolarHBondContact O-CG2 3.28Å; G407-V411 PolarHBondContact O-N 2.69Å
408	G	88.3	Confident	86.1	Confident	25 Å²	25	67.5 Å²	67.5	26%	0.258	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-42	173.4	0	0	0	0	0	112.4	L404 Y405 L406 L410 V411 V412	L404-G408 WeakPolarHBondContact O-CA 3.4Å; L404-G408 PolarHBondContact O-N 3.46Å; Y405-G408 PolarHBondContact O-N 3.33Å; L406-G408 VanDerWaalsContact C-N 3.35Å; G408-L410 VanDerWaalsContact C-N 3.29Å; G408-L410 PolarHBondContact O-N 3.42Å; G408-V411 PolarHBondContact O-N 3.28Å; G408-V412 WeakPolarHBondContact O-CG2 3.29Å; G408-V412 PolarHBondContact O-N 3.46Å
409	Q	88.4	Confident	86.2	Confident	71 Å²	71	61.7 Å²	61.7	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-35.1	172.5	-71.6	-171.4	-1.2	0	0	112.7	Y405 L406 G407 R413	Y405-Q409 VanDerWaalsContact CZ-NE2 3.29Å; Y405-Q409 WeakPolarHBondContact O-CG 2.99Å; Y405-Q409 PolarHBondContact O-N 3.21Å; Y405-Q409 PolarHBondContact OH-NE2 3.18Å; Y405-Q409 VanDerWaalsContact OH-NE2 3.16Å; L406-Q409 PolarHBondContact O-N 2.89Å; G407-Q409 PolarHBondContact O-N 2.88Å; Q409-R413 WeakPolarHBondContact O-CG 3.42Å; Q409-R413 PolarHBondContact O-N 3.36Å; Q409-R413 VanDerWaalsContact O-N 3.15Å
410	L	87.7	Confident	86.4	Confident	25 Å²	25	63.8 Å²	63.8	13%	0.131	36%	0.362	C	S	.	.	H	α-helix	trans	-68.2	-36.3	174.1	-89.1	80.3	0	0	0	112.2	Y303 L304 L406 G407 G408 R413 G414 A415 V416	Y303-L410 HydrophobicContact CD1-CD1 3.88Å; Y303-L410 HydrophobicContact CD1-CD2 4.05Å; Y303-L410 HydrophobicContact CE1-CD1 3.89Å; L304-L410 HydrophobicContact CG-CD2 4.35Å; L406-L410 WeakPolarHBondContact O-CD1 3.46Å; L406-L410 PolarHBondContact O-N 3.26Å; L406-L410 VanDerWaalsContact O-N 3.11Å; G407-L410 WeakPolarHBondContact O-CB 3.47Å; G407-L410 PolarHBondContact O-N 3.47Å; G407-L410 VanDerWaalsContact O-N 3.09Å; G408-L410 VanDerWaalsContact C-N 3.29Å; G408-L410 PolarHBondContact O-N 3.42Å; L410-R413 PolarHBondContact O-N 3.26Å; L410-G414 PolarHBondContact O-N 2.91Å; L410-A415 PolarHBondContact O-N 3.22Å; L410-V416 HydrophobicContact CB-CB 4.43Å; L410-V416 HydrophobicContact CB-CG2 4.09Å; L410-V416 HydrophobicContact CD2-CG2 3.76Å
411	V	87.3	Confident	86.7	Confident	48 Å²	48	59.5 Å²	59.5	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-67.5	-44.4	174.9	174.5	0	0	0	0	110.9	G407 G408 R413 G414 L421	G407-V411 WeakPolarHBondContact O-CG2 3.28Å; G407-V411 PolarHBondContact O-N 2.69Å; G408-V411 PolarHBondContact O-N 3.28Å; V411-R413 PolarHBondContact O-N 3.24Å; V411-G414 PolarHBondContact O-N 2.93Å; V411-L421 HydrophobicContact CG2-CB 4.03Å; V411-L421 HydrophobicContact CG2-CD2 3.66Å; V411-L421 HydrophobicContact CG2-CG 4.43Å
412	V	88.8	Confident	86.9	Confident	131 Å²	131	57.2 Å²	57.2	79%	0.794	33%	0.33	S	S	*	.	H	α-helix	trans	-60.8	-33.6	176.7	172.2	0	0	0	0	111.8	G408 G414	G408-V412 WeakPolarHBondContact O-CG2 3.29Å; G408-V412 PolarHBondContact O-N 3.46Å; V412-G414 PolarHBondContact O-N 3.09Å
413	R	86.7	Confident	87.1	Confident	197 Å²	197	56.1 Å²	56.1	74%	0.743	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.7	174.4	-70	177.3	-176	-179.4	3.3	114	Q409 L410 V411 A415	Q409-R413 WeakPolarHBondContact O-CG 3.42Å; Q409-R413 PolarHBondContact O-N 3.36Å; Q409-R413 VanDerWaalsContact O-N 3.15Å; L410-R413 PolarHBondContact O-N 3.26Å; V411-R413 PolarHBondContact O-N 3.24Å; R413-A415 PolarHBondContact O-N 2.91Å
414	G	80.9	Confident	87.4	Confident	66 Å²	66	56.2 Å²	56.2	68%	0.68	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	12.5	-176.6	0	0	0	0	0	114.7	L410 V411 V412	L410-G414 PolarHBondContact O-N 2.91Å; V411-G414 PolarHBondContact O-N 2.93Å; V412-G414 PolarHBondContact O-N 3.09Å
415	A	82.3	Confident	87.6	Confident	74 Å²	74	53.4 Å²	53.4	61%	0.612	31%	0.305	S	S	*	.	S	Bend	trans	-79.8	-22.8	-176.9	0	0	0	0	0	113.1	L410 R413	L410-A415 PolarHBondContact O-N 3.22Å; R413-A415 PolarHBondContact O-N 2.91Å
416	V	82.3	Confident	87.7	Confident	15 Å²	15	48.7 Å²	48.7	9%	0.091	29%	0.29	C	S	.	.	S	Bend	trans	-140.4	136	-178.3	-177.4	0	0	0	0	108.2	L410 N420	L410-V416 HydrophobicContact CB-CB 4.43Å; L410-V416 HydrophobicContact CB-CG2 4.09Å; L410-V416 HydrophobicContact CD2-CG2 3.76Å; V416-N420 HydrophobicContact CG1-CB 3.53Å
417	S	85.9	Confident	87.8	Confident	38 Å²	38	46.8 Å²	46.8	27%	0.266	28%	0.28	S	S	.	.			trans	-70.1	158.3	174	73.4	0	0	0	0	111.6	D190 G419 N420 L421	D190-S417 WeakPolarHBondContact OD2-CB 3.4Å; D190-S417 PolarHBondContact OD2-OG 3.14Å; S417-G419 VanDerWaalsContact C-N 3.26Å; S417-G419 PolarHBondContact O-N 3.45Å; S417-N420 PolarHBondContact O-N 3.1Å; S417-N420 WeakPolarHBondContact OG-CB 3.41Å; S417-N420 PolarHBondContact OG-N 3.4Å; S417-L421 PolarHBondContact O-N 3.48Å
418	S	87.2	Confident	87.8	Confident	33 Å²	33	47 Å²	47	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-51.4	-44.9	170.5	31.9	0	0	0	0	112.5	D190 L193 L421 V422	D190-S418 PolarHBondContact OD1-OG 3.38Å; L193-S418 WeakPolarHBondContact CD1-OG 3.28Å; S418-L421 WeakPolarHBondContact O-CB 3.4Å; S418-L421 PolarHBondContact O-N 3.05Å; S418-V422 WeakPolarHBondContact O-CG2 3.44Å; S418-V422 PolarHBondContact O-N 3.07Å
419	G	87.7	Confident	87.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.1	-39.8	-179.7	0	0	0	0	0	112.6	G186 D190 S417 L421 V422 S423	G186-G419 WeakPolarHBondContact CA-O 3.47Å; G186-G419 WeakPolarHBondContact O-CA 3.15Å; D190-G419 WeakPolarHBondContact OD1-CA 3.33Å; D190-G419 PolarHBondContact OD1-N 3.16Å; D190-G419 WeakPolarHBondContact OD2-CA 3.33Å; D190-G419 PolarHBondContact OD2-N 3.41Å; S417-G419 VanDerWaalsContact C-N 3.26Å; S417-G419 PolarHBondContact O-N 3.45Å; G419-L421 VanDerWaalsContact C-N 3.3Å; G419-L421 PolarHBondContact O-N 2.96Å; G419-V422 PolarHBondContact O-N 3.09Å; G419-S423 PolarHBondContact O-N 3.05Å; G419-S423 PolarHBondContact O-OG 2.9Å; G419-S423 VanDerWaalsContact O-OG 3.1Å
420	N	88	Confident	88	Confident	65 Å²	65	48.3 Å²	48.3	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-36.6	173	-77.3	-7.5	0	0	0	111.7	V416 S417 F424	V416-N420 HydrophobicContact CG1-CB 3.53Å; S417-N420 PolarHBondContact O-N 3.1Å; S417-N420 WeakPolarHBondContact OG-CB 3.41Å; S417-N420 PolarHBondContact OG-N 3.4Å; N420-F424 VanDerWaalsContact O-CB 3.24Å; N420-F424 WeakPolarHBondContact O-CB 3.32Å; N420-F424 PolarHBondContact O-N 2.9Å
421	L	89.1	Confident	88.1	Confident	19 Å²	19	47.9 Å²	47.9	10%	0.099	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-43.5	173.1	-179.8	62.1	0	0	0	111.4	L304 V411 S417 S418 G419 F424 V425	L304-L421 HydrophobicContact CD1-CD1 4.24Å; V411-L421 HydrophobicContact CG2-CB 4.03Å; V411-L421 HydrophobicContact CG2-CD2 3.66Å; V411-L421 HydrophobicContact CG2-CG 4.43Å; S417-L421 PolarHBondContact O-N 3.48Å; S418-L421 WeakPolarHBondContact O-CB 3.4Å; S418-L421 PolarHBondContact O-N 3.05Å; G419-L421 VanDerWaalsContact C-N 3.3Å; G419-L421 PolarHBondContact O-N 2.96Å; L421-F424 PolarHBondContact O-N 2.69Å; L421-V425 HydrophobicContact CD1-CG2 4.25Å; L421-V425 WeakPolarHBondContact O-CG2 3.42Å; L421-V425 PolarHBondContact O-N 2.89Å
422	V	90.8	Very high	88.1	Confident	50 Å²	50	46.6 Å²	46.6	30%	0.303	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-50	175.8	170.6	0	0	0	0	111.2	T185 T189 S418 G419 F424 V425 L426	T185-V422 HydrophobicContact CG2-CG1 4.12Å; T189-V422 HydrophobicContact CG2-CG2 4.09Å; S418-V422 WeakPolarHBondContact O-CG2 3.44Å; S418-V422 PolarHBondContact O-N 3.07Å; G419-V422 PolarHBondContact O-N 3.09Å; V422-F424 VanDerWaalsContact C-N 3.26Å; V422-F424 PolarHBondContact O-N 3.24Å; V422-V425 PolarHBondContact O-N 3.36Å; V422-L426 HydrophobicContact CG1-CD1 4.07Å; V422-L426 WeakPolarHBondContact O-CG 3.32Å; V422-L426 PolarHBondContact O-N 2.94Å
423	S	90.8	Very high	88.1	Confident	8 Å²	8	47.5 Å²	47.5	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-54.5	-45.2	174.2	-62.7	0	0	0	0	111.2	P182 G186 G419 L426 Y427	P182-S423 PolarHBondContact O-OG 3.45Å; G186-S423 VanDerWaalsContact CA-OG 3.32Å; G186-S423 WeakPolarHBondContact CA-OG 3.4Å; G419-S423 PolarHBondContact O-N 3.05Å; G419-S423 PolarHBondContact O-OG 2.9Å; G419-S423 VanDerWaalsContact O-OG 3.1Å; S423-L426 PolarHBondContact O-N 3.21Å; S423-Y427 WeakPolarHBondContact O-CB 3.29Å; S423-Y427 WeakPolarHBondContact O-CD2 2.91Å; S423-Y427 PolarHBondContact O-N 2.8Å
424	F	90.9	Very high	88.2	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-46.5	179.9	-174	-85.3	0	0	0	112.1	M297 L304 T308 I403 N420 L421 V422 L426 Y427 Q428	M297-F424 HydrophobicContact CB-CE2 4.19Å; M297-F424 HydrophobicContact CE-CE1 4.3Å; M297-F424 HydrophobicContact CE-CE2 3.84Å; M297-F424 HydrophobicContact CE-CZ 3.53Å; M297-F424 HydrophobicContact CG-CE2 4.36Å; L304-F424 HydrophobicContact CB-CD1 3.94Å; L304-F424 HydrophobicContact CB-CD2 3.98Å; L304-F424 HydrophobicContact CB-CE1 3.43Å; L304-F424 VanDerWaalsContact CB-CE1 3.43Å; L304-F424 HydrophobicContact CB-CE2 3.45Å; L304-F424 VanDerWaalsContact CB-CE2 3.45Å; L304-F424 HydrophobicContact CB-CG 4.22Å; L304-F424 HydrophobicContact CB-CZ 3.18Å; L304-F424 HydrophobicContact CD1-CB 4.49Å; L304-F424 HydrophobicContact CD1-CD1 3.78Å; L304-F424 HydrophobicContact CD1-CD2 4.25Å; L304-F424 HydrophobicContact CD1-CE1 4.14Å; L304-F424 HydrophobicContact CD1-CG 3.88Å; L304-F424 HydrophobicContact CG-CD1 4.47Å; L304-F424 HydrophobicContact CG-CE1 4.34Å; L304-F424 HydrophobicContact CG-CZ 4.44Å; T308-F424 HydrophobicContact CG2-CE1 3.79Å; T308-F424 HydrophobicContact CG2-CZ 3.7Å; I403-F424 HydrophobicContact CG2-CD1 4.33Å; I403-F424 HydrophobicContact CG2-CE1 4.14Å; N420-F424 VanDerWaalsContact O-CB 3.24Å; N420-F424 WeakPolarHBondContact O-CB 3.32Å; N420-F424 PolarHBondContact O-N 2.9Å; L421-F424 PolarHBondContact O-N 2.69Å; V422-F424 VanDerWaalsContact C-N 3.26Å; V422-F424 PolarHBondContact O-N 3.24Å; F424-L426 VanDerWaalsContact C-N 3.31Å; F424-L426 PolarHBondContact O-N 3.48Å; F424-Y427 PolarHBondContact O-N 3.46Å; F424-Q428 HydrophobicContact CD1-CB 4.44Å; F424-Q428 HydrophobicContact CE1-CB 4.11Å; F424-Q428 HydrophobicContact CE1-CG 4.45Å; F424-Q428 WeakPolarHBondContact O-CB 3.43Å; F424-Q428 PolarHBondContact O-N 2.87Å
425	V	89.6	Confident	88.6	Confident	50 Å²	50	36.5 Å²	36.5	30%	0.303	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-40.7	178	170.5	0	0	0	0	110.9	I403 L421 V422 Q428 L429	I403-V425 HydrophobicContact CG2-CG2 4.47Å; L421-V425 HydrophobicContact CD1-CG2 4.25Å; L421-V425 WeakPolarHBondContact O-CG2 3.42Å; L421-V425 PolarHBondContact O-N 2.89Å; V422-V425 PolarHBondContact O-N 3.36Å; V425-Q428 PolarHBondContact O-N 3.47Å; V425-L429 WeakPolarHBondContact O-CB 3.24Å; V425-L429 PolarHBondContact O-N 3.43Å
426	L	91.3	Very high	88.7	Confident	55 Å²	55	35.7 Å²	35.7	29%	0.288	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-46.5	176.3	-70.9	175.9	0	0	0	112	P182 T185 V422 S423 F424 Q428 L429 Q430	P182-L426 HydrophobicContact CB-CB 3.76Å; P182-L426 HydrophobicContact CB-CD1 4.12Å; P182-L426 HydrophobicContact CG-CB 4.14Å; T185-L426 HydrophobicContact CG2-CD1 3.81Å; V422-L426 HydrophobicContact CG1-CD1 4.07Å; V422-L426 WeakPolarHBondContact O-CG 3.32Å; V422-L426 PolarHBondContact O-N 2.94Å; S423-L426 PolarHBondContact O-N 3.21Å; F424-L426 VanDerWaalsContact C-N 3.31Å; F424-L426 PolarHBondContact O-N 3.48Å; L426-Q428 VanDerWaalsContact C-N 3.35Å; L426-Q428 PolarHBondContact O-N 3.09Å; L426-L429 PolarHBondContact O-N 3.09Å; L426-Q430 WeakPolarHBondContact O-CG 3.49Å; L426-Q430 PolarHBondContact O-N 3.01Å; L426-Q430 VanDerWaalsContact O-N 3.12Å
427	Y	91.7	Very high	89	Confident	9 Å²	9	36.6 Å²	36.6	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-43.5	175.2	-71.2	-46.1	0	0	0	112	M179 P182 F183 L293 F296 S423 F424 L429 Q430 F431	M179-Y427 HydrophobicContact CB-CE1 4.3Å; M179-Y427 WeakPolarHBondContact O-CE1 3.38Å; M179-Y427 PolarHBondContact O-OH 3.01Å; M179-Y427 HydrophobicContact SD-CE1 4.43Å; P182-Y427 HydrophobicContact CB-CD1 3.74Å; P182-Y427 HydrophobicContact CB-CD2 4.41Å; P182-Y427 HydrophobicContact CB-CE1 3.46Å; P182-Y427 VanDerWaalsContact CB-CE1 3.46Å; P182-Y427 HydrophobicContact CB-CE2 4.14Å; P182-Y427 HydrophobicContact CB-CG 4.21Å; P182-Y427 HydrophobicContact CG-CD1 3.71Å; P182-Y427 HydrophobicContact CG-CE1 3.51Å; F183-Y427 WeakPolarHBondContact CB-OH 3.17Å; F183-Y427 PolarHBondContact N-OH 3.19Å; L293-Y427 HydrophobicContact CD2-CD1 3.57Å; L293-Y427 HydrophobicContact CD2-CE1 4.42Å; L293-Y427 HydrophobicContact CD2-CG 4.29Å; F296-Y427 HydrophobicContact CB-CD2 4.28Å; F296-Y427 HydrophobicContact CB-CE1 4.18Å; F296-Y427 HydrophobicContact CB-CE2 3.94Å; F296-Y427 HydrophobicContact CG-CE1 4.42Å; S423-Y427 WeakPolarHBondContact O-CB 3.29Å; S423-Y427 WeakPolarHBondContact O-CD2 2.91Å; S423-Y427 PolarHBondContact O-N 2.8Å; F424-Y427 PolarHBondContact O-N 3.46Å; Y427-L429 PolarHBondContact O-N 3.08Å; Y427-Q430 PolarHBondContact O-N 3.17Å; Y427-F431 VanDerWaalsContact O-CB 3.26Å; Y427-F431 WeakPolarHBondContact O-CB 3.48Å; Y427-F431 PolarHBondContact O-N 3.27Å
428	Q	89.1	Confident	89.1	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-40.4	178.6	176.8	-110.4	-47.4	0	0	112.6	M297 T308 I403 F424 V425 L426 F431 T432	M297-Q428 HydrophobicContact CE-CB 3.99Å; M297-Q428 HydrophobicContact CE-CG 4.41Å; T308-Q428 HydrophobicContact CG2-CB 4.43Å; T308-Q428 HydrophobicContact CG2-CG 3.6Å; I403-Q428 HydrophobicContact CD1-CG 3.68Å; I403-Q428 VanDerWaalsContact CD1-NE2 3.3Å; F424-Q428 HydrophobicContact CD1-CB 4.44Å; F424-Q428 HydrophobicContact CE1-CB 4.11Å; F424-Q428 HydrophobicContact CE1-CG 4.45Å; F424-Q428 WeakPolarHBondContact O-CB 3.43Å; F424-Q428 PolarHBondContact O-N 2.87Å; V425-Q428 PolarHBondContact O-N 3.47Å; L426-Q428 VanDerWaalsContact C-N 3.35Å; L426-Q428 PolarHBondContact O-N 3.09Å; Q428-F431 PolarHBondContact O-N 3.22Å; Q428-T432 WeakPolarHBondContact O-CB 3.4Å; Q428-T432 PolarHBondContact O-N 3.44Å; Q428-T432 PolarHBondContact O-OG1 3.27Å
429	L	88.2	Confident	89	Confident	74 Å²	74	39.9 Å²	39.9	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-47	175.4	-177.7	67	0	0	0	111	V425 L426 Y427 T432 R433	V425-L429 WeakPolarHBondContact O-CB 3.24Å; V425-L429 PolarHBondContact O-N 3.43Å; L426-L429 PolarHBondContact O-N 3.09Å; Y427-L429 PolarHBondContact O-N 3.08Å; L429-T432 PolarHBondContact O-N 2.95Å; L429-R433 PolarHBondContact O-N 3.18Å
430	Q	91.1	Very high	88.8	Confident	49 Å²	49	43 Å²	43	23%	0.229	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-38.4	177.8	-67	-172.4	25.6	0	0	112.1	L293 L426 Y427 R433 A434	L293-Q430 HydrophobicContact CD1-CB 3.93Å; L293-Q430 HydrophobicContact CD2-CB 4.08Å; L426-Q430 WeakPolarHBondContact O-CG 3.49Å; L426-Q430 PolarHBondContact O-N 3.01Å; L426-Q430 VanDerWaalsContact O-N 3.12Å; Y427-Q430 PolarHBondContact O-N 3.17Å; Q430-R433 PolarHBondContact O-N 3.13Å; Q430-A434 WeakPolarHBondContact O-CB 3.46Å; Q430-A434 PolarHBondContact O-N 2.92Å
431	F	90.6	Very high	88.7	Confident	16 Å²	16	40.2 Å²	40.2	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-42.1	178.4	-176.4	-110.5	0	0	0	111.6	G290 L293 L294 M297 L312 Y427 Q428 R433 A434 V435	G290-F431 WeakPolarHBondContact O-CE2 3.48Å; L293-F431 HydrophobicContact CB-CB 4.33Å; L293-F431 HydrophobicContact CB-CD2 3.96Å; L293-F431 HydrophobicContact CD1-CB 4.22Å; L294-F431 HydrophobicContact CB-CE2 4.08Å; L294-F431 HydrophobicContact CD1-CE2 4.19Å; L294-F431 HydrophobicContact CD1-CZ 3.86Å; M297-F431 HydrophobicContact SD-CB 3.83Å; M297-F431 HydrophobicContact SD-CD1 4.18Å; M297-F431 HydrophobicContact SD-CG 3.99Å; L312-F431 HydrophobicContact CD1-CD1 4.25Å; L312-F431 HydrophobicContact CD1-CE1 3.61Å; Y427-F431 VanDerWaalsContact O-CB 3.26Å; Y427-F431 WeakPolarHBondContact O-CB 3.48Å; Y427-F431 PolarHBondContact O-N 3.27Å; Q428-F431 PolarHBondContact O-N 3.22Å; F431-R433 VanDerWaalsContact C-N 3.3Å; F431-R433 PolarHBondContact O-N 3.34Å; F431-A434 PolarHBondContact O-N 3.47Å; F431-V435 HydrophobicContact CD1-CG2 4.32Å; F431-V435 HydrophobicContact CD2-CG2 4.42Å; F431-V435 HydrophobicContact CE1-CG2 3.99Å; F431-V435 HydrophobicContact CE2-CG2 4.06Å; F431-V435 HydrophobicContact CZ-CG2 3.83Å; F431-V435 WeakPolarHBondContact O-CG2 3.41Å; F431-V435 PolarHBondContact O-N 3.49Å
432	T	87.1	Confident	88.1	Confident	21 Å²	21	43.9 Å²	43.9	13%	0.129	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-42.9	176.2	-51.7	0	0	0	0	110.9	L312 L315 Q428 L429 E436	L312-T432 HydrophobicContact CD2-CG2 4.28Å; L315-T432 HydrophobicContact CD1-CG2 4.02Å; L315-T432 HydrophobicContact CD2-CG2 4.45Å; Q428-T432 WeakPolarHBondContact O-CB 3.4Å; Q428-T432 PolarHBondContact O-N 3.44Å; Q428-T432 PolarHBondContact O-OG1 3.27Å; L429-T432 PolarHBondContact O-N 2.95Å; T432-E436 WeakPolarHBondContact O-CB 3.18Å; T432-E436 PolarHBondContact O-N 3.43Å
433	R	88	Confident	87.6	Confident	151 Å²	151	45.2 Å²	45.2	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-65.5	-43.1	174.4	-71.1	-60.1	-163.2	178.6	6.1	112.7	L429 Q430 F431 V435 E436 V437	L429-R433 PolarHBondContact O-N 3.18Å; Q430-R433 PolarHBondContact O-N 3.13Å; F431-R433 VanDerWaalsContact C-N 3.3Å; F431-R433 PolarHBondContact O-N 3.34Å; R433-V435 VanDerWaalsContact C-N 3.33Å; R433-V435 PolarHBondContact O-N 3.39Å; R433-E436 VanDerWaalsContact CD-OE2 3.29Å; R433-E436 WeakPolarHBondContact CD-OE2 3.26Å; R433-E436 IonicContact CZ-OE2 3.49Å; R433-E436 IonicContact NE-OE2 3.87Å; R433-E436 IonicContact NH1-OE1 3.47Å; R433-E436 IonicContact NH1-OE2 2.92Å; R433-E436 PolarHBondContact NH1-OE2 2.93Å; R433-E436 WeakPolarHBondContact O-CB 3.37Å; R433-E436 PolarHBondContact O-N 3.4Å; R433-V437 WeakPolarHBondContact O-CG2 3.49Å; R433-V437 PolarHBondContact O-N 2.83Å
434	A	90.2	Very high	87.1	Confident	2 Å²	2	46.9 Å²	46.9	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-43.5	177.9	0	0	0	0	0	111.7	Y286 L293 Q430 F431 V437 L438	Y286-A434 HydrophobicContact CD1-CB 3.78Å; Y286-A434 HydrophobicContact CE1-CB 4.46Å; L293-A434 HydrophobicContact CD1-CB 4.41Å; Q430-A434 WeakPolarHBondContact O-CB 3.46Å; Q430-A434 PolarHBondContact O-N 2.92Å; F431-A434 PolarHBondContact O-N 3.47Å; A434-V437 PolarHBondContact O-N 3.2Å; A434-L438 WeakPolarHBondContact O-CB 3.36Å; A434-L438 PolarHBondContact O-N 3.15Å
435	V	87.9	Confident	86.6	Confident	30 Å²	30	48 Å²	48	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-66.2	-42	175.3	176.3	0	0	0	0	111.4	L312 F316 F431 R433 V437 L438 L439	L312-V435 HydrophobicContact CD1-CG2 4.4Å; F316-V435 HydrophobicContact CE2-CB 4.5Å; F316-V435 HydrophobicContact CE2-CG1 3.6Å; F316-V435 HydrophobicContact CZ-CB 4.4Å; F316-V435 HydrophobicContact CZ-CG1 3.84Å; F431-V435 HydrophobicContact CD1-CG2 4.32Å; F431-V435 HydrophobicContact CD2-CG2 4.42Å; F431-V435 HydrophobicContact CE1-CG2 3.99Å; F431-V435 HydrophobicContact CE2-CG2 4.06Å; F431-V435 HydrophobicContact CZ-CG2 3.83Å; F431-V435 WeakPolarHBondContact O-CG2 3.41Å; F431-V435 PolarHBondContact O-N 3.49Å; R433-V435 VanDerWaalsContact C-N 3.33Å; R433-V435 PolarHBondContact O-N 3.39Å; V435-V437 PolarHBondContact O-N 3.32Å; V435-L438 PolarHBondContact O-N 2.83Å; V435-L439 HydrophobicContact CG1-CD1 3.93Å; V435-L439 HydrophobicContact CG1-CG 4.29Å; V435-L439 WeakPolarHBondContact O-CB 3.26Å; V435-L439 VanDerWaalsContact O-CG 3.26Å; V435-L439 WeakPolarHBondContact O-CG 3.36Å; V435-L439 PolarHBondContact O-N 3.48Å
436	E	85.5	Confident	86.1	Confident	56 Å²	56	50.7 Å²	50.7	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-47.1	176	-177.3	-176.3	-171.8	0	0	111.6	F316 T432 R433 L439 S440	F316-E436 HydrophobicContact CE1-CB 4.18Å; F316-E436 HydrophobicContact CE1-CG 4.45Å; F316-E436 HydrophobicContact CZ-CB 4.34Å; T432-E436 WeakPolarHBondContact O-CB 3.18Å; T432-E436 PolarHBondContact O-N 3.43Å; R433-E436 VanDerWaalsContact CD-OE2 3.29Å; R433-E436 WeakPolarHBondContact CD-OE2 3.26Å; R433-E436 IonicContact CZ-OE2 3.49Å; R433-E436 IonicContact NE-OE2 3.87Å; R433-E436 IonicContact NH1-OE1 3.47Å; R433-E436 IonicContact NH1-OE2 2.92Å; R433-E436 PolarHBondContact NH1-OE2 2.93Å; R433-E436 WeakPolarHBondContact O-CB 3.37Å; R433-E436 PolarHBondContact O-N 3.4Å; E436-L439 PolarHBondContact O-N 2.86Å; E436-S440 PolarHBondContact O-N 2.94Å
437	V	88.2	Confident	85.5	Confident	35 Å²	35	56.3 Å²	56.3	21%	0.212	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-44.7	177.4	177.5	0	0	0	0	111	Y286 R433 A434 V435 L439 S440 I441	Y286-V437 HydrophobicContact CD1-CB 4.4Å; Y286-V437 HydrophobicContact CD2-CB 4.03Å; Y286-V437 HydrophobicContact CD2-CG1 3.45Å; Y286-V437 VanDerWaalsContact CD2-CG1 3.45Å; Y286-V437 HydrophobicContact CE1-CB 4.38Å; Y286-V437 HydrophobicContact CE1-CG2 4.34Å; Y286-V437 HydrophobicContact CE2-CB 4.06Å; Y286-V437 HydrophobicContact CE2-CG1 3.49Å; Y286-V437 VanDerWaalsContact CE2-CG1 3.49Å; Y286-V437 HydrophobicContact CE2-CG2 4.26Å; Y286-V437 HydrophobicContact CG-CB 4.21Å; Y286-V437 HydrophobicContact CG-CG1 4.09Å; R433-V437 WeakPolarHBondContact O-CG2 3.49Å; R433-V437 PolarHBondContact O-N 2.83Å; A434-V437 PolarHBondContact O-N 3.2Å; V435-V437 PolarHBondContact O-N 3.32Å; V437-L439 VanDerWaalsContact C-N 3.26Å; V437-L439 PolarHBondContact O-N 3.43Å; V437-S440 PolarHBondContact O-N 3.12Å; V437-S440 PolarHBondContact O-OG 3.2Å; V437-I441 HydrophobicContact CG1-CD1 4.07Å; V437-I441 HydrophobicContact CG1-CG1 4.4Å; V437-I441 WeakPolarHBondContact O-CG1 3.39Å; V437-I441 PolarHBondContact O-N 3.38Å; V437-I441 VanDerWaalsContact O-N 3.09Å
438	L	88.2	Confident	85.1	Confident	50 Å²	50	56.3 Å²	56.3	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-37.5	179.1	-163.1	67.8	0	0	0	112.3	F283 L287 A434 V435	F283-L438 HydrophobicContact CD2-CD1 3.44Å; F283-L438 VanDerWaalsContact CD2-CD1 3.44Å; F283-L438 HydrophobicContact CE2-CD1 3.69Å; F283-L438 HydrophobicContact CG-CD1 4.35Å; L287-L438 HydrophobicContact CD1-CD2 4.21Å; A434-L438 WeakPolarHBondContact O-CB 3.36Å; A434-L438 PolarHBondContact O-N 3.15Å; V435-L438 PolarHBondContact O-N 2.83Å
439	L	84.5	Confident	84.8	Confident	89 Å²	89	56.3 Å²	56.3	47%	0.466	28%	0.283	S	S	.	.	H	α-helix	trans	-70.1	-29.6	175.6	-70.5	173.2	0	0	0	113.1	F316 V435 E436 V437 P443	F316-L439 HydrophobicContact CD1-CD1 3.94Å; F316-L439 HydrophobicContact CD2-CD1 3.72Å; F316-L439 HydrophobicContact CE1-CD1 3.9Å; F316-L439 HydrophobicContact CE2-CD1 3.68Å; F316-L439 HydrophobicContact CG-CD1 3.85Å; F316-L439 HydrophobicContact CZ-CD1 3.78Å; V435-L439 HydrophobicContact CG1-CD1 3.93Å; V435-L439 HydrophobicContact CG1-CG 4.29Å; V435-L439 WeakPolarHBondContact O-CB 3.26Å; V435-L439 VanDerWaalsContact O-CG 3.26Å; V435-L439 WeakPolarHBondContact O-CG 3.36Å; V435-L439 PolarHBondContact O-N 3.48Å; E436-L439 PolarHBondContact O-N 2.86Å; V437-L439 VanDerWaalsContact C-N 3.26Å; V437-L439 PolarHBondContact O-N 3.43Å; L439-P443 WeakPolarHBondContact O-CD 3.23Å
440	S	83.9	Confident	84.3	Confident	67 Å²	67	54.6 Å²	54.6	47%	0.469	28%	0.283	S	S	.	.	H	α-helix	trans	-80.1	-22.8	177.8	77.5	0	0	0	0	113.5	E436 V437 S444	E436-S440 PolarHBondContact O-N 2.94Å; V437-S440 PolarHBondContact O-N 3.12Å; V437-S440 PolarHBondContact O-OG 3.2Å; S440-S444 PolarHBondContact O-OG 3.33Å; S440-S444 VanDerWaalsContact O-OG 3.08Å
441	I	85.3	Confident	83.8	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-37.8	176.4	-69.7	166.7	0	0	0	111.3	K279 L282 F283 V437 S444 M445	K279-I441 HydrophobicContact CB-CG2 4.17Å; L282-I441 HydrophobicContact CB-CD1 3.76Å; L282-I441 HydrophobicContact CB-CG1 4.49Å; F283-I441 HydrophobicContact CB-CD1 4.23Å; F283-I441 HydrophobicContact CB-CG2 4.27Å; F283-I441 HydrophobicContact CD2-CG2 4.48Å; V437-I441 HydrophobicContact CG1-CD1 4.07Å; V437-I441 HydrophobicContact CG1-CG1 4.4Å; V437-I441 WeakPolarHBondContact O-CG1 3.39Å; V437-I441 PolarHBondContact O-N 3.38Å; V437-I441 VanDerWaalsContact O-N 3.09Å; I441-S444 WeakPolarHBondContact O-CB 3.38Å; I441-S444 PolarHBondContact O-N 2.75Å; I441-M445 HydrophobicContact CG2-CG 3.72Å; I441-M445 PolarHBondContact O-N 2.95Å
442	Y	77.2	Confident	83.6	Confident	96 Å²	96	53.6 Å²	53.6	38%	0.376	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-52.9	-172.9	179.9	-84.8	0	0	0	114.1	F137 S444 M445 Q446	F137-Y442 HydrophobicContact CB-CE2 4.47Å; F137-Y442 AromaticContact CD1-CD1 3.99Å; F137-Y442 HydrophobicContact CD1-CD1 3.99Å; F137-Y442 AromaticContact CD1-CE1 3.28Å; F137-Y442 HydrophobicContact CD1-CE1 3.28Å; F137-Y442 HydrophobicContact CD1-CE2 4.15Å; F137-Y442 AromaticContact CD1-CZ 3.37Å; F137-Y442 WeakPolarHBondContact CD1-OH 3.23Å; F137-Y442 AromaticContact CE1-CD1 3.89Å; F137-Y442 HydrophobicContact CE1-CD1 3.89Å; F137-Y442 AromaticContact CE1-CE1 3.51Å; F137-Y442 HydrophobicContact CE1-CE1 3.51Å; F137-Y442 HydrophobicContact CG-CE1 4.44Å; Y442-S444 PolarHBondContact O-N 2.89Å; Y442-M445 PolarHBondContact O-N 3.27Å; Y442-Q446 PolarHBondContact O-N 3.03Å
443	P	79.9	Confident	83.4	Confident	79 Å²	79	56.9 Å²	56.9	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-36.2	176.6	-21.8	32.8	0	0	0	112.4	L439 Q446 K447	L439-P443 WeakPolarHBondContact O-CD 3.23Å; P443-Q446 PolarHBondContact O-N 3.07Å; P443-K447 WeakPolarHBondContact O-CB 2.89Å; P443-K447 PolarHBondContact O-N 3.42Å
444	S	80.1	Confident	83	Confident	42 Å²	42	55 Å²	55	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-45.2	177.1	-55.1	0	0	0	0	110.8	S440 I441 Y442 K447 S448	S440-S444 PolarHBondContact O-OG 3.33Å; S440-S444 VanDerWaalsContact O-OG 3.08Å; I441-S444 WeakPolarHBondContact O-CB 3.38Å; I441-S444 PolarHBondContact O-N 2.75Å; Y442-S444 PolarHBondContact O-N 2.89Å; S444-K447 WeakPolarHBondContact O-CB 3.18Å; S444-K447 PolarHBondContact O-N 3.41Å; S444-S448 PolarHBondContact O-N 2.82Å; S444-S448 PolarHBondContact O-OG 3.4Å
445	M	81.5	Confident	82.7	Confident	27 Å²	27	55.4 Å²	55.4	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-41.8	176	-75.2	-70.3	77	0	0	113.2	I276 K279 I441 Y442 K447 S448 V449	I276-M445 HydrophobicContact CG1-CE 4.05Å; K279-M445 HydrophobicContact CB-CE 3.29Å; K279-M445 HydrophobicContact CB-CG 3.94Å; K279-M445 HydrophobicContact CB-SD 3.55Å; K279-M445 VanDerWaalsContact CB-SD 3.55Å; K279-M445 HydrophobicContact CG-CE 3.54Å; K279-M445 HydrophobicContact CG-SD 4.41Å; I441-M445 HydrophobicContact CG2-CG 3.72Å; I441-M445 PolarHBondContact O-N 2.95Å; Y442-M445 PolarHBondContact O-N 3.27Å; M445-K447 PolarHBondContact O-N 3.07Å; M445-S448 WeakPolarHBondContact CE-OG 3.37Å; M445-S448 PolarHBondContact O-N 2.85Å; M445-V449 WeakPolarHBondContact O-CB 3.48Å; M445-V449 VanDerWaalsContact O-CG2 3.23Å; M445-V449 WeakPolarHBondContact O-CG2 3.39Å; M445-V449 PolarHBondContact O-N 3.44Å
446	Q	77.9	Confident	82.5	Confident	107 Å²	107	54.4 Å²	54.4	50%	0.5	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-38.3	174.6	-169.2	175.6	0.4	0	0	111.6	Y442 P443 G450	Y442-Q446 PolarHBondContact O-N 3.03Å; P443-Q446 PolarHBondContact O-N 3.07Å; Q446-G450 PolarHBondContact O-N 3.2Å
447	K	80.3	Confident	82.5	Confident	173 Å²	173	57.6 Å²	57.6	75%	0.752	31%	0.306	S	S	*	.	H	α-helix	trans	-65.2	-46.2	175	-171.9	-177	178.5	-173.9	0	112	P443 S444 M445 V449 G450 A451	P443-K447 WeakPolarHBondContact O-CB 2.89Å; P443-K447 PolarHBondContact O-N 3.42Å; S444-K447 WeakPolarHBondContact O-CB 3.18Å; S444-K447 PolarHBondContact O-N 3.41Å; M445-K447 PolarHBondContact O-N 3.07Å; K447-V449 VanDerWaalsContact C-N 3.3Å; K447-V449 PolarHBondContact O-N 2.97Å; K447-G450 PolarHBondContact O-N 3.49Å; K447-A451 PolarHBondContact O-N 3.05Å
448	S	83.3	Confident	82.3	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-34.3	179.6	-45.1	0	0	0	0	112.1	S275 S444 M445 A451 S452	S275-S448 PolarHBondContact OG-OG 3.1Å; S444-S448 PolarHBondContact O-N 2.82Å; S444-S448 PolarHBondContact O-OG 3.4Å; M445-S448 WeakPolarHBondContact CE-OG 3.37Å; M445-S448 PolarHBondContact O-N 2.85Å; S448-A451 PolarHBondContact O-N 3.41Å; S448-S452 PolarHBondContact O-N 2.94Å
449	V	80.9	Confident	82.2	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-69.3	-41.7	174	175.7	0	0	0	0	111.8	A146 M149 L150 M445 K447 A451 S452 E453	A146-V449 VanDerWaalsContact CA-CG1 3.48Å; A146-V449 HydrophobicContact CB-CB 4.3Å; A146-V449 HydrophobicContact CB-CG1 3.6Å; M149-V449 HydrophobicContact CB-CG1 3.79Å; M149-V449 HydrophobicContact CG-CG1 4.33Å; M149-V449 HydrophobicContact SD-CG1 3.71Å; L150-V449 HydrophobicContact CD1-CG2 3.95Å; L150-V449 HydrophobicContact CD2-CG2 3.64Å; L150-V449 HydrophobicContact CG-CG2 3.55Å; M445-V449 WeakPolarHBondContact O-CB 3.48Å; M445-V449 VanDerWaalsContact O-CG2 3.23Å; M445-V449 WeakPolarHBondContact O-CG2 3.39Å; M445-V449 PolarHBondContact O-N 3.44Å; K447-V449 VanDerWaalsContact C-N 3.3Å; K447-V449 PolarHBondContact O-N 2.97Å; V449-A451 PolarHBondContact O-N 3.25Å; V449-S452 PolarHBondContact O-N 3.46Å; V449-S452 VanDerWaalsContact O-N 3.14Å; V449-S452 PolarHBondContact O-OG 3.49Å; V449-E453 PolarHBondContact O-N 3.3Å; V449-E453 VanDerWaalsContact O-N 3.12Å
450	G	78.6	Confident	82.3	Confident	39 Å²	39	55.4 Å²	55.4	40%	0.402	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-30.5	172.8	0	0	0	0	0	113.2	Q446 K447	Q446-G450 PolarHBondContact O-N 3.2Å; K447-G450 PolarHBondContact O-N 3.49Å
451	A	81.2	Confident	82.4	Confident	43 Å²	43	56.7 Å²	56.7	36%	0.355	29%	0.287	S	S	.	.	H	α-helix	trans	-74.8	-34.8	172.8	0	0	0	0	0	112.4	V272 K447 S448 V449 E453 K454	V272-A451 HydrophobicContact CG2-CB 3.6Å; K447-A451 PolarHBondContact O-N 3.05Å; S448-A451 PolarHBondContact O-N 3.41Å; V449-A451 PolarHBondContact O-N 3.25Å; A451-E453 VanDerWaalsContact C-N 3.29Å; A451-E453 PolarHBondContact O-N 3.09Å; A451-K454 PolarHBondContact O-N 3.15Å
452	S	85.2	Confident	82.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.5	-26.5	177.2	80.2	0	0	0	0	113.1	S448 V449 K454 I455 F456	S448-S452 PolarHBondContact O-N 2.94Å; V449-S452 PolarHBondContact O-N 3.46Å; V449-S452 VanDerWaalsContact O-N 3.14Å; V449-S452 PolarHBondContact O-OG 3.49Å; S452-K454 PolarHBondContact O-N 2.93Å; S452-I455 WeakPolarHBondContact O-CB 3.26Å; S452-I455 PolarHBondContact O-N 3.19Å; S452-F456 VanDerWaalsContact O-CD2 3.27Å; S452-F456 WeakPolarHBondContact O-CD2 3.19Å; S452-F456 PolarHBondContact O-N 3.17Å
453	E	83.4	Confident	82.3	Confident	90 Å²	90	59 Å²	59	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-51.1	-42.1	174.1	-175.8	164.9	-158.2	0	0	112.1	M149 V449 A451 F456 E457	M149-E453 HydrophobicContact CE-CB 3.52Å; M149-E453 VanDerWaalsContact CE-CD 3.47Å; M149-E453 HydrophobicContact CE-CG 3.41Å; M149-E453 VanDerWaalsContact CE-CG 3.41Å; M149-E453 HydrophobicContact SD-CB 3.76Å; M149-E453 HydrophobicContact SD-CG 4.34Å; V449-E453 PolarHBondContact O-N 3.3Å; V449-E453 VanDerWaalsContact O-N 3.12Å; A451-E453 VanDerWaalsContact C-N 3.29Å; A451-E453 PolarHBondContact O-N 3.09Å; E453-F456 CarbonylContact O-C 3.15Å; E453-F456 PolarHBondContact O-N 3.49Å; E453-E457 PolarHBondContact O-N 3.31Å
454	K	79.4	Confident	81.6	Confident	112 Å²	112	60.4 Å²	60.4	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-38.5	177.5	-64.2	179.8	-178.1	176.3	0	112.2	A451 S452 F456 E457 Y458	A451-K454 PolarHBondContact O-N 3.15Å; S452-K454 PolarHBondContact O-N 2.93Å; K454-F456 VanDerWaalsContact C-N 3.32Å; K454-E457 WeakPolarHBondContact O-CB 3.46Å; K454-E457 PolarHBondContact O-N 3.26Å; K454-Y458 VanDerWaalsContact O-CD2 3.27Å; K454-Y458 WeakPolarHBondContact O-CD2 3.46Å; K454-Y458 PolarHBondContact O-N 2.75Å
455	I	84.2	Confident	80.7	Confident	10 Å²	10	60 Å²	60	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-42.1	176.3	-60.4	166.2	0	0	0	109.7	V241 T269 V272 S452 E457 Y458 L459	V241-I455 HydrophobicContact CG2-CG2 3.51Å; T269-I455 HydrophobicContact CG2-CD1 4.45Å; V272-I455 HydrophobicContact CB-CD1 3.68Å; V272-I455 HydrophobicContact CG1-CD1 3.96Å; V272-I455 HydrophobicContact CG2-CD1 3.72Å; S452-I455 WeakPolarHBondContact O-CB 3.26Å; S452-I455 PolarHBondContact O-N 3.19Å; I455-E457 VanDerWaalsContact C-N 3.31Å; I455-E457 PolarHBondContact O-N 3.29Å; I455-Y458 WeakPolarHBondContact O-CB 3.17Å; I455-Y458 PolarHBondContact O-N 3.41Å; I455-L459 HydrophobicContact CG2-CD1 4.3Å; I455-L459 PolarHBondContact O-N 2.82Å
456	F	84.4	Confident	80	Confident	10 Å²	10	62.7 Å²	62.7	4%	0.044	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-30.4	174.7	-77.8	-68.3	0	0	0	112.9	R152 M153 F156 S452 E453 K454 Y458 L459 D460	R152-F456 HydrophobicContact CB-CE1 3.87Å; R152-F456 HydrophobicContact CB-CZ 3.72Å; M153-F456 HydrophobicContact CG-CE2 3.46Å; M153-F456 VanDerWaalsContact CG-CE2 3.46Å; M153-F456 HydrophobicContact CG-CZ 3.44Å; M153-F456 VanDerWaalsContact CG-CZ 3.44Å; M153-F456 HydrophobicContact SD-CE2 3.96Å; M153-F456 HydrophobicContact SD-CZ 4.46Å; F156-F456 HydrophobicContact CE2-CE1 4.12Å; F156-F456 HydrophobicContact CE2-CZ 4.34Å; S452-F456 VanDerWaalsContact O-CD2 3.27Å; S452-F456 WeakPolarHBondContact O-CD2 3.19Å; S452-F456 PolarHBondContact O-N 3.17Å; E453-F456 CarbonylContact O-C 3.15Å; E453-F456 PolarHBondContact O-N 3.49Å; K454-F456 VanDerWaalsContact C-N 3.32Å; F456-Y458 VanDerWaalsContact C-N 3.29Å; F456-Y458 PolarHBondContact O-N 3.21Å; F456-L459 HydrophobicContact CD1-CD1 4.05Å; F456-L459 HydrophobicContact CE1-CD1 4.24Å; F456-L459 PolarHBondContact O-N 3.42Å; F456-D460 WeakPolarHBondContact O-CB 3.26Å; F456-D460 PolarHBondContact O-N 3.41Å
457	E	85.5	Confident	79.3	Confident	123 Å²	123	62.2 Å²	62.2	58%	0.575	34%	0.339	S	S	*	.	H	α-helix	trans	-59.8	-40.8	171	-170.3	-171.8	166.4	0	0	111.3	E453 K454 I455 R461	E453-E457 PolarHBondContact O-N 3.31Å; K454-E457 WeakPolarHBondContact O-CB 3.46Å; K454-E457 PolarHBondContact O-N 3.26Å; I455-E457 VanDerWaalsContact C-N 3.31Å; I455-E457 PolarHBondContact O-N 3.29Å; E457-R461 VanDerWaalsContact O-CB 3.32Å; E457-R461 WeakPolarHBondContact O-CB 3.16Å; E457-R461 PolarHBondContact O-N 3.12Å; E457-R461 VanDerWaalsContact O-N 3.13Å
458	Y	83.3	Confident	78.9	Confident	18 Å²	18	56.3 Å²	56.3	7%	0.071	32%	0.32	C	S	.	.	H	α-helix	trans	-68.7	-41.9	174.4	-84	-108.9	0	0	0	112.6	V245 F252 R264 K454 I455 F456	V245-Y458 HydrophobicContact CG2-CD1 3.71Å; V245-Y458 HydrophobicContact CG2-CE1 4.25Å; F252-Y458 HydrophobicContact CE1-CD1 4.48Å; F252-Y458 AromaticContact CE1-CE1 3.89Å; F252-Y458 HydrophobicContact CE1-CE1 3.89Å; F252-Y458 HydrophobicContact CE2-CE1 4.47Å; F252-Y458 AromaticContact CZ-CD1 3.99Å; F252-Y458 HydrophobicContact CZ-CD1 3.99Å; F252-Y458 AromaticContact CZ-CE1 3.36Å; F252-Y458 HydrophobicContact CZ-CE1 3.36Å; F252-Y458 AromaticContact CZ-CZ 3.85Å; R264-Y458 WeakPolarHBondContact CD-OH 3.34Å; R264-Y458 PolarHBondContact NH1-OH 3.12Å; K454-Y458 VanDerWaalsContact O-CD2 3.27Å; K454-Y458 WeakPolarHBondContact O-CD2 3.46Å; K454-Y458 PolarHBondContact O-N 2.75Å; I455-Y458 WeakPolarHBondContact O-CB 3.17Å; I455-Y458 PolarHBondContact O-N 3.41Å; F456-Y458 VanDerWaalsContact C-N 3.29Å; F456-Y458 PolarHBondContact O-N 3.21Å
459	L	86.2	Confident	78.8	Confident	41 Å²	41	56.9 Å²	56.9	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-68.6	-36	178.5	-73.8	170.4	0	0	0	112.9	F156 E240 V241 A244 I455 F456 R461	F156-L459 HydrophobicContact CZ-CD1 4.46Å; E240-L459 HydrophobicContact CB-CD2 4.1Å; V241-L459 HydrophobicContact CB-CD2 4.38Å; V241-L459 HydrophobicContact CG2-CD1 3.93Å; V241-L459 HydrophobicContact CG2-CD2 3.82Å; V241-L459 HydrophobicContact CG2-CG 3.86Å; A244-L459 HydrophobicContact CB-CD2 4Å; I455-L459 HydrophobicContact CG2-CD1 4.3Å; I455-L459 PolarHBondContact O-N 2.82Å; F456-L459 HydrophobicContact CD1-CD1 4.05Å; F456-L459 HydrophobicContact CE1-CD1 4.24Å; F456-L459 PolarHBondContact O-N 3.42Å; L459-R461 VanDerWaalsContact C-N 3.35Å
460	D	87.2	Confident	79.1	Confident	68 Å²	68	62.1 Å²	62.1	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-84.8	-11.8	-178.1	-69.6	-12.2	0	0	0	112.4	R152 F456 T462	R152-D460 IonicContact CZ-OD1 3.19Å; R152-D460 IonicContact CZ-OD2 2.96Å; R152-D460 IonicContact NH1-OD1 2.76Å; R152-D460 PolarHBondContact NH1-OD1 3.45Å; R152-D460 VanDerWaalsContact NH1-OD1 3.15Å; R152-D460 IonicContact NH1-OD2 3.31Å; R152-D460 PolarHBondContact NH1-OD2 2.86Å; R152-D460 IonicContact NH2-OD1 3.69Å; R152-D460 PolarHBondContact NH2-OD1 3.09Å; R152-D460 IonicContact NH2-OD2 3.12Å; F456-D460 WeakPolarHBondContact O-CB 3.26Å; F456-D460 PolarHBondContact O-N 3.41Å; D460-T462 PolarHBondContact O-N 3.12Å; D460-T462 VanDerWaalsContact O-N 3.14Å
461	R	86.6	Confident	79.5	Confident	95 Å²	95	63 Å²	63	36%	0.358	36%	0.359	S	S	.	.			trans	-69	112	179.5	-173.7	177.8	173.1	111.8	4	109.6	Q248 E249 F252 E457 L459	Q248-R461 VanDerWaalsContact CD-NE 3.3Å; Q248-R461 PolarHBondContact OE1-O 3.4Å; E249-R461 IonicContact OE1-CZ 3.32Å; E249-R461 IonicContact OE1-NE 2.74Å; E249-R461 IonicContact OE1-NH2 3.74Å; E249-R461 PolarHBondContact OE1-NH2 3.23Å; F252-R461 VanDerWaalsContact CD2-CZ 3.44Å; E457-R461 VanDerWaalsContact O-CB 3.32Å; E457-R461 WeakPolarHBondContact O-CB 3.16Å; E457-R461 PolarHBondContact O-N 3.12Å; E457-R461 VanDerWaalsContact O-N 3.13Å; L459-R461 VanDerWaalsContact C-N 3.35Å
462	T	80.5	Confident	79.8	Confident	114 Å²	114	63.8 Å²	63.8	70%	0.699	37%	0.365	S	S	*	.			trans	-79.5	134.9	169.9	53.5	0	0	0	0	110	D460	D460-T462 PolarHBondContact O-N 3.12Å; D460-T462 VanDerWaalsContact O-N 3.14Å
463	P	78.1	Confident	80	Confident	36 Å²	36	66 Å²	66	23%	0.234	38%	0.38	C	S	.	.			trans	-55.2	138.7	172.3	-25.2	34.5	0	0	0	111.8	H247 E249 S465 L467	H247-P463 WeakPolarHBondContact O-CG 3.22Å; E249-P463 WeakPolarHBondContact OE2-CA 3.43Å; P463-S465 PolarHBondContact O-N 2.87Å; P463-L467 HydrophobicContact CG-CD2 4.06Å; P463-L467 HydrophobicContact CG-CG 4.26Å
464	C	65.4	Low	79.9	Confident	107 Å²	107	70.2 Å²	70.2	72%	0.723	40%	0.404	S	S	*	.	S	Bend	trans	-69.2	-23.8	-178.8	-68.4	0	0	0	0	112.9	E249	E249-C464 PolarHBondContact OE2-N 3.05Å
465	S	62.1	Low	80.1	Confident	35 Å²	35	71.6 Å²	71.6	25%	0.245	42%	0.417	C	S	.	.	S	Bend	trans	-110	145.1	176.7	51.9	0	0	0	0	110.5	P463 L467 Q533	P463-S465 PolarHBondContact O-N 2.87Å; S465-L467 PolarHBondContact O-N 3.44Å; S465-Q533 VanDerWaalsContact CB-NE2 3.29Å
466	P	65.7	Low	80.2	Confident	82 Å²	82	71.6 Å²	71.6	53%	0.532	42%	0.417	S	S	.	.			trans	-55.1	131.4	171.8	24.5	-33.1	0	0	0	109.5	S468 V547	P466-S468 PolarHBondContact O-N 3.3Å; P466-V547 HydrophobicContact CG-CG1 3.8Å
467	L	63.1	Low	80.4	Confident	97 Å²	97	78.8 Å²	78.8	51%	0.508	45%	0.448	S	S	.	.	S	Bend	trans	-58.4	-33	-177.9	-76.1	161.3	0	0	0	112.6	H247 P463 S465	H247-L467 HydrophobicContact CB-CD2 3.86Å; H247-L467 WeakPolarHBondContact O-CD2 3.24Å; P463-L467 HydrophobicContact CG-CD2 4.06Å; P463-L467 HydrophobicContact CG-CG 4.26Å; S465-L467 PolarHBondContact O-N 3.44Å
468	S	72.2	Confident	80.5	Confident	49 Å²	49	73 Å²	73	34%	0.343	42%	0.421	S	S	.	.			trans	-159.4	141.9	-178.8	-148.1	0	0	0	0	109.8	P466 D550 H551	P466-S468 PolarHBondContact O-N 3.3Å; S468-D550 VanDerWaalsContact OG-CA 3.26Å; S468-D550 WeakPolarHBondContact OG-CA 3.43Å; S468-D550 PolarHBondContact OG-OD1 2.98Å; S468-H551 PolarHBondContact OG-N 3.08Å
469	G	81.3	Confident	81	Confident	21 Å²	21	74.2 Å²	74.2	22%	0.216	43%	0.428	C	S	.	.			trans	-80.8	-173.3	161.2	0	0	0	0	0	111.5	Q548 Y549 D550	G469-Q548 CarbonylContact C-O 3.45Å; G469-Q548 VanDerWaalsContact CA-O 3.3Å; G469-Q548 WeakPolarHBondContact CA-O 3.18Å; G469-Y549 WeakPolarHBondContact CA-O 3.06Å; G469-Y549 PolarHBondContact N-O 3.45Å; G469-D550 WeakPolarHBondContact O-CA 3.03Å
470	S	87.1	Confident	81.5	Confident	114 Å²	114	72.3 Å²	72.3	80%	0.797	42%	0.419	S	S	*	.	S	Bend	trans	-107.6	-5.7	-178.8	62.1	0	0	0	0	114	Q548	S470-Q548 PolarHBondContact N-O 2.69Å; S470-Q548 VanDerWaalsContact N-O 3.13Å
471	L	87.6	Confident	81.9	Confident	59 Å²	59	72.8 Å²	72.8	31%	0.309	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-82.9	121.2	-175	-62.5	177.3	0	0	0	111.5	E544 Q548 Y549 D550	L471-E544 HydrophobicContact CD1-CB 4.13Å; L471-E544 HydrophobicContact CD1-CG 4.09Å; L471-Q548 WeakPolarHBondContact CB-O 3.35Å; L471-Q548 HydrophobicContact CD1-CB 3.57Å; L471-Q548 HydrophobicContact CG-CB 4.19Å; L471-Q548 WeakPolarHBondContact CG-O 3.46Å; L471-Q548 PolarHBondContact N-O 2.99Å; L471-Y549 HydrophobicContact CB-CD1 4.32Å; L471-Y549 WeakPolarHBondContact O-CA 3.39Å; L471-D550 PolarHBondContact O-N 3.36Å
472	A	88.6	Confident	82.3	Confident	58 Å²	58	68.4 Å²	68.4	48%	0.479	40%	0.401	S	S	.	.			trans	-137.7	73.6	171.8	0	0	0	0	0	109.8	Y553	A472-Y553 HydrophobicContact CB-CD1 4.33Å; A472-Y553 HydrophobicContact CB-CD2 3.78Å; A472-Y553 HydrophobicContact CB-CE2 4.37Å; A472-Y553 HydrophobicContact CB-CG 3.76Å
473	P	87.8	Confident	83	Confident	47 Å²	47	67.2 Å²	67.2	31%	0.305	39%	0.387	S	S	.	.			trans	-62.8	144.1	-177	23	-31.9	0	0	0	112.2	N475 Y549 Y553	P473-N475 VanDerWaalsContact C-N 3.3Å; P473-N475 PolarHBondContact O-N 2.83Å; P473-Y549 HydrophobicContact CG-CE1 3.89Å; P473-Y553 HydrophobicContact CG-CE1 4.01Å; P473-Y553 VanDerWaalsContact O-CE2 3.29Å; P473-Y553 WeakPolarHBondContact O-CE2 3.32Å; P473-Y553 PolarHBondContact O-OH 2.96Å
474	L	81.5	Confident	83.7	Confident	178 Å²	178	70.4 Å²	70.4	93%	0.932	40%	0.403	S	S	*	.	S	Bend	trans	-66.1	-34.2	177.8	-71.4	164.5	0	0	0	112.4
475	N	84	Confident	85.1	Confident	142 Å²	142	65.3 Å²	65.3	76%	0.759	37%	0.368	S	S	*	.			trans	-124.7	115.4	-178.7	-72.8	-30.7	0	0	0	110.4	P473	P473-N475 VanDerWaalsContact C-N 3.3Å; P473-N475 PolarHBondContact O-N 2.83Å
476	M	86	Confident	86.6	Confident	9 Å²	9	64.7 Å²	64.7	4%	0.044	36%	0.364	C	S	.	.			trans	-103.1	128.6	172.6	-177.6	-179.5	-71.6	0	0	109.6	L541 D542 Y549 Y553 Q557 R639	M476-L541 HydrophobicContact CE-CD2 3.55Å; M476-L541 HydrophobicContact CE-CG 4.35Å; M476-L541 HydrophobicContact SD-CD1 4.39Å; M476-L541 HydrophobicContact SD-CD2 3.89Å; M476-L541 HydrophobicContact SD-CG 4.38Å; M476-D542 WeakPolarHBondContact CA-OD2 3.5Å; M476-D542 VanDerWaalsContact CG-OD2 3.24Å; M476-D542 WeakPolarHBondContact CG-OD2 3.27Å; M476-Y549 HydrophobicContact CE-CE1 4.12Å; M476-Y553 HydrophobicContact CE-CD1 4.48Å; M476-Y553 HydrophobicContact CE-CE1 3.48Å; M476-Y553 VanDerWaalsContact CE-CE1 3.48Å; M476-Q557 HydrophobicContact CE-CB 3.7Å; M476-Q557 HydrophobicContact CE-CG 3.67Å; M476-Q557 HydrophobicContact SD-CB 3.53Å; M476-Q557 VanDerWaalsContact SD-CB 3.53Å; M476-Q557 HydrophobicContact SD-CG 3.92Å; M476-R639 HydrophobicContact CB-CG 4.3Å; M476-R639 HydrophobicContact CG-CB 4.4Å; M476-R639 HydrophobicContact SD-CB 4.05Å; M476-R639 HydrophobicContact SD-CG 4.49Å
477	K	88.1	Confident	88	Confident	162 Å²	162	61 Å²	61	70%	0.704	34%	0.34	S	S	*	.			trans	-81.2	-38.5	175.9	-62.7	177.6	-179.3	175.8	0	110.6	P507 D542	K477-P507 VanDerWaalsContact O-CB 3.29Å; K477-P507 WeakPolarHBondContact O-CB 3.49Å; K477-D542 WeakPolarHBondContact CB-OD1 3.49Å; K477-D542 PolarHBondContact N-OD2 3.39Å
478	G	88.8	Confident	89.3	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.32	C	S	.	.			trans	93.4	21.2	179.8	0	0	0	0	0	114.1	V480 D542 T672	G478-V480 PolarHBondContact O-N 3.21Å; G478-D542 PolarHBondContact N-OD1 3.28Å; G478-D542 PolarHBondContact N-OD2 3.37Å; G478-T672 WeakPolarHBondContact O-CB 3.38Å; G478-T672 PolarHBondContact O-OG1 2.93Å
479	L	94.2	Very high	90.2	Very high	44 Å²	44	57.3 Å²	57.3	23%	0.23	31%	0.314	C	S	.	.			trans	-78.5	116.5	175	-179.5	71.9	0	0	0	109.5	T504 Y506 D542	L479-T504 HydrophobicContact CD1-CG2 3.75Å; L479-Y506 HydrophobicContact CD1-CD1 3.85Å; L479-Y506 HydrophobicContact CD1-CE1 4.23Å; L479-D542 WeakPolarHBondContact CB-OD1 3.4Å; L479-D542 PolarHBondContact N-OD1 3.02Å; L479-D542 PolarHBondContact O-N 3.4Å
480	V	95.3	Very high	90.4	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.1	178.6	-171.9	0	0	0	0	110.6	G478 F482 T504 L505 L528 V539 L540 L541 L640	G478-V480 PolarHBondContact O-N 3.21Å; V480-F482 HydrophobicContact CG1-CD2 4.19Å; V480-F482 HydrophobicContact CG1-CE2 4Å; V480-T504 CarbonylContact O-C 3.4Å; V480-T504 VanDerWaalsContact O-CA 3.25Å; V480-T504 WeakPolarHBondContact O-CA 3.49Å; V480-T504 WeakPolarHBondContact O-CG2 3.42Å; V480-L505 HydrophobicContact CB-CB 4.01Å; V480-L505 HydrophobicContact CB-CD1 4.15Å; V480-L505 HydrophobicContact CB-CG 4.25Å; V480-L505 HydrophobicContact CG2-CB 4.43Å; V480-L505 HydrophobicContact CG2-CD1 4.34Å; V480-L505 PolarHBondContact N-O 3.47Å; V480-L505 PolarHBondContact O-N 3.02Å; V480-L528 HydrophobicContact CB-CD2 4.41Å; V480-L528 HydrophobicContact CG1-CD2 3.45Å; V480-L528 VanDerWaalsContact CG1-CD2 3.45Å; V480-L528 HydrophobicContact CG2-CD2 4.36Å; V480-V539 HydrophobicContact CG1-CG1 4.27Å; V480-L540 CarbonylContact C-O 3.54Å; V480-L540 WeakPolarHBondContact CA-O 3.22Å; V480-L541 HydrophobicContact CG2-CD1 3.74Å; V480-L640 HydrophobicContact CG2-CD1 4.26Å; V480-L640 HydrophobicContact CG2-CD2 3.92Å
481	K	95.9	Very high	90.2	Very high	79 Å²	79	56.1 Å²	56.1	34%	0.343	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.2	175.4	-63.7	-175.8	178	179.9	0	110.6	T504 L540	K481-T504 HydrophobicContact CG-CG2 3.87Å; K481-L540 HydrophobicContact CB-CB 4.32Å; K481-L540 PolarHBondContact N-O 2.94Å; K481-L540 PolarHBondContact O-N 3.32Å
482	F	96	Very high	90.2	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125	164.2	-80.5	-110.1	0	0	0	108.1	V480 V485 L501 T502 F503 V524 L527 L528 V539	V480-F482 HydrophobicContact CG1-CD2 4.19Å; V480-F482 HydrophobicContact CG1-CE2 4Å; F482-V485 HydrophobicContact CB-CG2 4.2Å; F482-V485 HydrophobicContact CD1-CB 3.89Å; F482-V485 HydrophobicContact CD1-CG1 4.11Å; F482-V485 HydrophobicContact CD1-CG2 3.71Å; F482-V485 HydrophobicContact CE1-CG1 4.37Å; F482-V485 HydrophobicContact CG-CG2 4.33Å; F482-L501 HydrophobicContact CD1-CD2 4.09Å; F482-L501 HydrophobicContact CE1-CD2 4.42Å; F482-T502 WeakPolarHBondContact O-CA 3.5Å; F482-T502 WeakPolarHBondContact O-CG2 3.36Å; F482-F503 HydrophobicContact CB-CD1 3.92Å; F482-F503 HydrophobicContact CB-CE1 3.85Å; F482-F503 HydrophobicContact CB-CG 4.43Å; F482-F503 HydrophobicContact CB-CZ 4.33Å; F482-F503 AromaticContact CD1-CE1 3.88Å; F482-F503 HydrophobicContact CD1-CE1 3.88Å; F482-F503 HydrophobicContact CD1-CZ 4.18Å; F482-F503 HydrophobicContact CD2-CD1 4.36Å; F482-F503 HydrophobicContact CD2-CD2 4.39Å; F482-F503 AromaticContact CD2-CE1 3.64Å; F482-F503 HydrophobicContact CD2-CE1 3.64Å; F482-F503 AromaticContact CD2-CE2 3.69Å; F482-F503 HydrophobicContact CD2-CE2 3.69Å; F482-F503 AromaticContact CD2-CZ 3.26Å; F482-F503 HydrophobicContact CD2-CZ 3.26Å; F482-F503 HydrophobicContact CE1-CE1 4.38Å; F482-F503 HydrophobicContact CE1-CZ 4.37Å; F482-F503 HydrophobicContact CE2-CE1 4.15Å; F482-F503 HydrophobicContact CE2-CE2 4.03Å; F482-F503 AromaticContact CE2-CZ 3.47Å; F482-F503 HydrophobicContact CE2-CZ 3.47Å; F482-F503 VanDerWaalsContact CE2-CZ 3.47Å; F482-F503 HydrophobicContact CG-CD1 4.1Å; F482-F503 AromaticContact CG-CE1 3.51Å; F482-F503 HydrophobicContact CG-CE1 3.51Å; F482-F503 HydrophobicContact CG-CE2 4.37Å; F482-F503 AromaticContact CG-CZ 3.67Å; F482-F503 HydrophobicContact CG-CZ 3.67Å; F482-F503 HydrophobicContact CZ-CZ 4.05Å; F482-F503 PolarHBondContact N-O 2.92Å; F482-F503 PolarHBondContact O-N 2.89Å; F482-V524 HydrophobicContact CE1-CG1 4.34Å; F482-V524 HydrophobicContact CE2-CG1 4.44Å; F482-V524 HydrophobicContact CZ-CG1 3.93Å; F482-L527 HydrophobicContact CE1-CB 4.46Å; F482-L527 HydrophobicContact CE1-CD1 4.44Å; F482-L528 HydrophobicContact CE2-CD1 4.46Å; F482-L528 HydrophobicContact CE2-CD2 3.5Å; F482-L528 VanDerWaalsContact CE2-CD2 3.5Å; F482-L528 HydrophobicContact CE2-CG 3.86Å; F482-L528 HydrophobicContact CZ-CD2 3.86Å; F482-L528 HydrophobicContact CZ-CG 3.81Å; F482-V539 HydrophobicContact CD1-CG2 3.9Å; F482-V539 HydrophobicContact CD2-CG1 4.23Å; F482-V539 HydrophobicContact CE1-CG1 4.3Å; F482-V539 HydrophobicContact CE1-CG2 3.61Å; F482-V539 HydrophobicContact CE2-CG1 3.83Å; F482-V539 HydrophobicContact CG-CG2 4.47Å; F482-V539 HydrophobicContact CZ-CG1 3.85Å; F482-V539 HydrophobicContact CZ-CG2 3.98Å
483	Q	94.5	Very high	90	Very high	89 Å²	89	60.9 Å²	60.9	42%	0.416	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	105.3	179.1	-66	-178	-13.6	0	0	109.6	V485 G537 K538 L540	Q483-V485 PolarHBondContact O-N 3Å; Q483-G537 VanDerWaalsContact O-CA 3.24Å; Q483-G537 WeakPolarHBondContact O-CA 3.43Å; Q483-K538 PolarHBondContact N-O 3.21Å; Q483-K538 PolarHBondContact O-N 3.44Å; Q483-L540 HydrophobicContact CG-CD1 4.41Å
484	D	93.5	Very high	90.1	Very high	103 Å²	103	66 Å²	66	55%	0.551	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.2	41.2	176	-164.1	32.9	0	0	0	113.7	S486 G500 L501 T502 G537	D484-S486 PolarHBondContact O-N 3.14Å; D484-G500 WeakPolarHBondContact OD1-CA 3.37Å; D484-L501 PolarHBondContact N-O 3.27Å; D484-T502 PolarHBondContact N-OG1 3.06Å; D484-G537 VanDerWaalsContact O-CA 3.27Å; D484-G537 WeakPolarHBondContact O-CA 3.41Å
485	V	94.5	Very high	90.5	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.8	-170.3	173	0	0	0	0	110.8	F482 Q483 G500 L501 L527 P534 G536 K538 V539	F482-V485 HydrophobicContact CB-CG2 4.2Å; F482-V485 HydrophobicContact CD1-CB 3.89Å; F482-V485 HydrophobicContact CD1-CG1 4.11Å; F482-V485 HydrophobicContact CD1-CG2 3.71Å; F482-V485 HydrophobicContact CE1-CG1 4.37Å; F482-V485 HydrophobicContact CG-CG2 4.33Å; Q483-V485 PolarHBondContact O-N 3Å; V485-G500 PolarHBondContact O-N 3.29Å; V485-L501 HydrophobicContact CB-CB 4.25Å; V485-L501 PolarHBondContact N-O 3.42Å; V485-L501 WeakPolarHBondContact O-CB 3.32Å; V485-L501 PolarHBondContact O-N 3.3Å; V485-L527 HydrophobicContact CG1-CD1 3.95Å; V485-P534 HydrophobicContact CG1-CB 3.78Å; V485-G536 WeakPolarHBondContact CA-O 3.28Å; V485-K538 VanDerWaalsContact CG2-O 3.31Å; V485-K538 WeakPolarHBondContact CG2-O 3.4Å; V485-V539 HydrophobicContact CG1-CG2 4.39Å; V485-V539 HydrophobicContact CG2-CG2 3.87Å
486	S	93.7	Very high	90.7	Very high	23 Å²	23	60 Å²	60	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.7	173.3	-59.2	0	0	0	0	109.8	D484 L498 G500 T535 G536	D484-S486 PolarHBondContact O-N 3.14Å; S486-L498 VanDerWaalsContact CA-O 3.28Å; S486-L498 WeakPolarHBondContact CA-O 3.45Å; S486-G500 PolarHBondContact OG-N 3.04Å; S486-G500 VanDerWaalsContact OG-N 3.16Å; S486-T535 WeakPolarHBondContact O-CA 3.47Å; S486-T535 WeakPolarHBondContact O-CB 3.35Å; S486-T535 PolarHBondContact O-N 3.11Å; S486-G536 PolarHBondContact N-O 3.42Å; S486-G536 PolarHBondContact O-N 3.28Å
487	F	93.7	Very high	91	Very high	5 Å²	5	61.2 Å²	61.2	2%	0.022	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	136.3	-176.4	178.7	-99.8	0	0	0	112.9	Y489 V497 L498 T523 L527 Y532 Q533	F487-Y489 AromaticContact CE1-CD1 3.75Å; F487-Y489 HydrophobicContact CE1-CD1 3.75Å; F487-Y489 AromaticContact CE1-CD2 3.94Å; F487-Y489 HydrophobicContact CE1-CD2 3.94Å; F487-Y489 AromaticContact CE1-CE1 3.8Å; F487-Y489 HydrophobicContact CE1-CE1 3.8Å; F487-Y489 AromaticContact CE1-CE2 3.98Å; F487-Y489 HydrophobicContact CE1-CE2 3.98Å; F487-Y489 AromaticContact CE1-CG 3.82Å; F487-Y489 HydrophobicContact CE1-CG 3.82Å; F487-Y489 AromaticContact CE1-CZ 3.91Å; F487-Y489 AromaticContact CZ-CD1 3.91Å; F487-Y489 HydrophobicContact CZ-CD1 3.91Å; F487-Y489 HydrophobicContact CZ-CE1 4.13Å; F487-Y489 HydrophobicContact CZ-CG 4.27Å; F487-V497 PolarHBondContact O-N 2.96Å; F487-L498 HydrophobicContact CB-CB 4.17Å; F487-L498 HydrophobicContact CB-CD1 4.21Å; F487-L498 HydrophobicContact CB-CG 4.39Å; F487-L498 PolarHBondContact N-O 3.05Å; F487-L498 PolarHBondContact O-N 3.29Å; F487-T523 HydrophobicContact CD1-CG2 3.29Å; F487-T523 HydrophobicContact CE1-CG2 3.57Å; F487-T523 HydrophobicContact CG-CG2 4.26Å; F487-L527 HydrophobicContact CB-CD1 4.13Å; F487-L527 HydrophobicContact CD2-CD2 3.9Å; F487-L527 HydrophobicContact CE2-CD2 4.18Å; F487-L527 HydrophobicContact CG-CD1 4.31Å; F487-L527 HydrophobicContact CG-CD2 4.27Å; F487-Y532 HydrophobicContact CE2-CD1 4.49Å; F487-Y532 HydrophobicContact CE2-CG 4.2Å; F487-Y532 HydrophobicContact CZ-CD1 4.03Å; F487-Y532 HydrophobicContact CZ-CD2 4.39Å; F487-Y532 AromaticContact CZ-CG 3.78Å; F487-Y532 HydrophobicContact CZ-CG 3.78Å; F487-Q533 VanDerWaalsContact CD2-O 3.3Å; F487-Q533 WeakPolarHBondContact CD2-O 3.47Å; F487-Q533 WeakPolarHBondContact CE2-O 3.49Å
488	A	91.8	Very high	91.3	Very high	11 Å²	11	53.5 Å²	53.5	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.1	168.6	0	0	0	0	0	110.1	V495 T535	A488-V495 WeakPolarHBondContact CB-O 3.24Å; A488-T535 PolarHBondContact N-OG1 3.08Å; A488-T535 VanDerWaalsContact N-OG1 3.15Å
489	Y	90.1	Very high	91.5	Very high	57 Å²	57	58.2 Å²	58.2	22%	0.224	30%	0.304	C	S	.	.			trans	-67.5	144	176.8	-79.5	-77.6	0	0	0	111	L254 F487 N491 H492 V497 T523 Y532	L254-Y489 HydrophobicContact CD2-CD1 4.02Å; L254-Y489 HydrophobicContact CD2-CG 4.5Å; F487-Y489 AromaticContact CE1-CD1 3.75Å; F487-Y489 HydrophobicContact CE1-CD1 3.75Å; F487-Y489 AromaticContact CE1-CD2 3.94Å; F487-Y489 HydrophobicContact CE1-CD2 3.94Å; F487-Y489 AromaticContact CE1-CE1 3.8Å; F487-Y489 HydrophobicContact CE1-CE1 3.8Å; F487-Y489 AromaticContact CE1-CE2 3.98Å; F487-Y489 HydrophobicContact CE1-CE2 3.98Å; F487-Y489 AromaticContact CE1-CG 3.82Å; F487-Y489 HydrophobicContact CE1-CG 3.82Å; F487-Y489 AromaticContact CE1-CZ 3.91Å; F487-Y489 AromaticContact CZ-CD1 3.91Å; F487-Y489 HydrophobicContact CZ-CD1 3.91Å; F487-Y489 HydrophobicContact CZ-CE1 4.13Å; 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 3.31Å; Y489-V497 HydrophobicContact CD2-CG2 3.78Å; Y489-V497 HydrophobicContact CE2-CG1 4.5Å; Y489-V497 HydrophobicContact CE2-CG2 4.03Å; Y489-T523 HydrophobicContact CE2-CG2 4.18Å; Y489-T523 PolarHBondContact OH-OG1 2.98Å; Y489-Y532 HydrophobicContact CD1-CE1 4.3Å; Y489-Y532 HydrophobicContact CE1-CD2 4.38Å; Y489-Y532 HydrophobicContact CE1-CE1 4.43Å; Y489-Y532 AromaticContact CE1-CE2 3.94Å; Y489-Y532 HydrophobicContact CE1-CE2 3.94Å; Y489-Y532 AromaticContact CE1-CZ 3.97Å
490	P	84.9	Confident	91.3	Very high	46 Å²	46	57.5 Å²	57.5	30%	0.299	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.8	-178.9	-27.8	35.8	0	0	0	115.7	K255	K255-P490 WeakPolarHBondContact CE-O 3.24Å; K255-P490 PolarHBondContact NZ-O 3.12Å
491	N	83.8	Confident	91.2	Very high	63 Å²	63	57.5 Å²	57.5	34%	0.337	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-26.2	176.6	-71.9	17.2	0	0	0	112.7	L254 K255 Y489	L254-N491 HydrophobicContact CD2-CB 4.26Å; L254-N491 WeakPolarHBondContact CG-ND2 3.47Å; L254-N491 PolarHBondContact O-ND2 3.24Å; K255-N491 WeakPolarHBondContact CG-OD1 3.36Å; Y489-N491 PolarHBondContact O-N 2.97Å
492	H	87.5	Confident	91.2	Very high	128 Å²	128	57.7 Å²	57.7	59%	0.593	32%	0.316	S	S	*	.			trans	-135.7	67.9	-178.7	-63.4	-67.8	0	0	0	109.9	Y489 N494 V495	Y489-H492 CarbonylContact O-C 3.57Å; Y489-H492 PolarHBondContact O-N 3.31Å; H492-N494 PolarHBondContact O-N 3.46Å; H492-N494 VanDerWaalsContact O-N 3.09Å; H492-V495 HydrophobicContact CB-CB 4.38Å; H492-V495 HydrophobicContact CB-CG2 4.44Å; H492-V495 PolarHBondContact O-N 2.91Å; H492-V495 VanDerWaalsContact O-N 3.07Å
493	P	85.1	Confident	91.1	Very high	89 Å²	89	57.9 Å²	57.9	58%	0.578	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.5	-176.2	26	-35.4	0	0	0	113.2	V495	P493-V495 VanDerWaalsContact C-N 3.33Å
494	N	88.7	Confident	91.1	Very high	156 Å²	156	55.3 Å²	55.3	83%	0.834	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11	-179.6	-61.5	-13.1	0	0	0	113.5	H492	H492-N494 PolarHBondContact O-N 3.46Å; H492-N494 VanDerWaalsContact O-N 3.09Å
495	V	89.5	Confident	91.2	Very high	92 Å²	92	50.4 Å²	50.4	56%	0.558	28%	0.281	S	S	*	.	S	Bend	trans	-111.6	103.4	-178.4	-176.9	0	0	0	0	108.6	A488 H492 P493 V497	A488-V495 WeakPolarHBondContact CB-O 3.24Å; H492-V495 HydrophobicContact CB-CB 4.38Å; H492-V495 HydrophobicContact CB-CG2 4.44Å; H492-V495 PolarHBondContact O-N 2.91Å; H492-V495 VanDerWaalsContact O-N 3.07Å; P493-V495 VanDerWaalsContact C-N 3.33Å; V495-V497 PolarHBondContact O-N 3.49Å
496	Q	89.3	Confident	91.2	Very high	101 Å²	101	55.7 Å²	55.7	47%	0.472	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.1	175	-69	-174.2	-10.3	0	0	109.9	Q499	Q496-Q499 HydrophobicContact CB-CG 4.01Å
497	V	92.6	Very high	91.1	Very high	34 Å²	34	57.2 Å²	57.2	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-34.7	177.5	178.9	0	0	0	0	111.1	F487 Y489 V495 T523 G695	F487-V497 PolarHBondContact O-N 2.96Å; Y489-V497 HydrophobicContact CD2-CG2 3.78Å; Y489-V497 HydrophobicContact CE2-CG1 4.5Å; Y489-V497 HydrophobicContact CE2-CG2 4.03Å; V495-V497 PolarHBondContact O-N 3.49Å; V497-T523 HydrophobicContact CG1-CG2 4.21Å; V497-G695 WeakPolarHBondContact O-CA 3.44Å
498	L	93.9	Very high	90.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.8	174.4	-57.9	178.1	0	0	0	109.3	S486 F487 L501 T523 V524 L527	S486-L498 VanDerWaalsContact CA-O 3.28Å; S486-L498 WeakPolarHBondContact CA-O 3.45Å; F487-L498 HydrophobicContact CB-CB 4.17Å; F487-L498 HydrophobicContact CB-CD1 4.21Å; F487-L498 HydrophobicContact CB-CG 4.39Å; F487-L498 PolarHBondContact N-O 3.05Å; F487-L498 PolarHBondContact O-N 3.29Å; L498-L501 HydrophobicContact CD1-CD2 4.03Å; L498-L501 HydrophobicContact CD2-CD2 4.15Å; L498-T523 HydrophobicContact CD1-CG2 3.9Å; L498-T523 HydrophobicContact CG-CG2 4.12Å; L498-V524 HydrophobicContact CD1-CG2 4.2Å; L498-V524 HydrophobicContact CD2-CG2 4.2Å; L498-L527 HydrophobicContact CD1-CD1 3.48Å; L498-L527 VanDerWaalsContact CD1-CD1 3.48Å
499	Q	92.8	Very high	90.8	Very high	99 Å²	99	62.3 Å²	62.3	46%	0.463	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	106.6	-173.4	-60.1	179.9	20.6	0	0	109.4	Q496 L501 G695	Q496-Q499 HydrophobicContact CB-CG 4.01Å; Q499-L501 VanDerWaalsContact C-N 3.27Å; Q499-L501 PolarHBondContact O-N 3.44Å; Q499-G695 PolarHBondContact N-O 2.92Å
500	G	90.9	Very high	91	Very high	30 Å²	30	59.8 Å²	59.8	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.1	32.3	176	0	0	0	0	0	115.5	D484 V485 S486 T502	D484-G500 WeakPolarHBondContact OD1-CA 3.37Å; V485-G500 PolarHBondContact O-N 3.29Å; S486-G500 PolarHBondContact OG-N 3.04Å; S486-G500 VanDerWaalsContact OG-N 3.16Å; G500-T502 PolarHBondContact O-N 3.22Å; G500-T502 PolarHBondContact O-OG1 3.43Å
501	L	93.2	Very high	91.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	118.8	-171.6	-168.8	71.9	0	0	0	111.7	F482 D484 V485 L498 Q499 F503 V524 L692 V697	F482-L501 HydrophobicContact CD1-CD2 4.09Å; F482-L501 HydrophobicContact CE1-CD2 4.42Å; D484-L501 PolarHBondContact N-O 3.27Å; V485-L501 HydrophobicContact CB-CB 4.25Å; V485-L501 PolarHBondContact N-O 3.42Å; V485-L501 WeakPolarHBondContact O-CB 3.32Å; V485-L501 PolarHBondContact O-N 3.3Å; L498-L501 HydrophobicContact CD1-CD2 4.03Å; L498-L501 HydrophobicContact CD2-CD2 4.15Å; Q499-L501 VanDerWaalsContact C-N 3.27Å; Q499-L501 PolarHBondContact O-N 3.44Å; L501-F503 HydrophobicContact CD1-CD1 4.38Å; L501-F503 HydrophobicContact CD1-CE1 4.45Å; L501-F503 HydrophobicContact CD2-CD1 4.29Å; L501-F503 HydrophobicContact CD2-CE1 3.64Å; L501-F503 HydrophobicContact CG-CD1 3.95Å; L501-F503 HydrophobicContact CG-CE1 3.82Å; L501-V524 HydrophobicContact CD2-CG2 3.61Å; L501-L692 HydrophobicContact CD1-CD1 3.48Å; L501-L692 VanDerWaalsContact CD1-CD1 3.48Å; L501-V697 HydrophobicContact CD1-CG2 3.63Å
502	T	94.3	Very high	92	Very high	82 Å²	82	54.7 Å²	54.7	50%	0.503	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	116.4	-178.4	-58.7	0	0	0	0	110.9	F482 D484 G500	F482-T502 WeakPolarHBondContact O-CA 3.5Å; F482-T502 WeakPolarHBondContact O-CG2 3.36Å; D484-T502 PolarHBondContact N-OG1 3.06Å; G500-T502 PolarHBondContact O-N 3.22Å; G500-T502 PolarHBondContact O-OG1 3.43Å
503	F	94.7	Very high	92.3	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	169.6	173.7	66.3	-88.2	0	0	0	110.7	F482 L501 L505 V524 L690 V697	F482-F503 HydrophobicContact CB-CD1 3.92Å; F482-F503 HydrophobicContact CB-CE1 3.85Å; F482-F503 HydrophobicContact CB-CG 4.43Å; F482-F503 HydrophobicContact CB-CZ 4.33Å; F482-F503 AromaticContact CD1-CE1 3.88Å; F482-F503 HydrophobicContact CD1-CE1 3.88Å; F482-F503 HydrophobicContact CD1-CZ 4.18Å; F482-F503 HydrophobicContact CD2-CD1 4.36Å; F482-F503 HydrophobicContact CD2-CD2 4.39Å; F482-F503 AromaticContact CD2-CE1 3.64Å; F482-F503 HydrophobicContact CD2-CE1 3.64Å; F482-F503 AromaticContact CD2-CE2 3.69Å; F482-F503 HydrophobicContact CD2-CE2 3.69Å; F482-F503 AromaticContact CD2-CZ 3.26Å; F482-F503 HydrophobicContact CD2-CZ 3.26Å; F482-F503 HydrophobicContact CE1-CE1 4.38Å; F482-F503 HydrophobicContact CE1-CZ 4.37Å; F482-F503 HydrophobicContact CE2-CE1 4.15Å; F482-F503 HydrophobicContact CE2-CE2 4.03Å; F482-F503 AromaticContact CE2-CZ 3.47Å; F482-F503 HydrophobicContact CE2-CZ 3.47Å; F482-F503 VanDerWaalsContact CE2-CZ 3.47Å; F482-F503 HydrophobicContact CG-CD1 4.1Å; F482-F503 AromaticContact CG-CE1 3.51Å; F482-F503 HydrophobicContact CG-CE1 3.51Å; F482-F503 HydrophobicContact CG-CE2 4.37Å; F482-F503 AromaticContact CG-CZ 3.67Å; F482-F503 HydrophobicContact CG-CZ 3.67Å; F482-F503 HydrophobicContact CZ-CZ 4.05Å; F482-F503 PolarHBondContact N-O 2.92Å; F482-F503 PolarHBondContact O-N 2.89Å; L501-F503 HydrophobicContact CD1-CD1 4.38Å; L501-F503 HydrophobicContact CD1-CE1 4.45Å; L501-F503 HydrophobicContact CD2-CD1 4.29Å; L501-F503 HydrophobicContact CD2-CE1 3.64Å; L501-F503 HydrophobicContact CG-CD1 3.95Å; L501-F503 HydrophobicContact CG-CE1 3.82Å; F503-L505 HydrophobicContact CD2-CD2 3.97Å; F503-L505 HydrophobicContact CD2-CG 4.23Å; F503-L505 HydrophobicContact CE2-CD1 4.28Å; F503-L505 HydrophobicContact CE2-CD2 3.72Å; F503-L505 HydrophobicContact CE2-CG 3.79Å; F503-V524 HydrophobicContact CE1-CG1 4.31Å; F503-V524 HydrophobicContact CZ-CG1 3.75Å; F503-L690 HydrophobicContact CB-CD1 4Å; F503-L690 HydrophobicContact CB-CD2 4.25Å; F503-L690 HydrophobicContact CD1-CD1 4.33Å; F503-L690 HydrophobicContact CD2-CD1 3.43Å; F503-L690 VanDerWaalsContact CD2-CD1 3.43Å; F503-L690 HydrophobicContact CE2-CD1 3.94Å; F503-L690 HydrophobicContact CG-CD1 3.66Å; F503-V697 HydrophobicContact CD1-CG2 4.35Å
504	T	95	Very high	92.7	Very high	34 Å²	34	44.5 Å²	44.5	21%	0.209	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.5	179.3	-59.8	0	0	0	0	111	L479 V480 K481 Y506	L479-T504 HydrophobicContact CD1-CG2 3.75Å; V480-T504 CarbonylContact O-C 3.4Å; V480-T504 VanDerWaalsContact O-CA 3.25Å; V480-T504 WeakPolarHBondContact O-CA 3.49Å; V480-T504 WeakPolarHBondContact O-CG2 3.42Å; K481-T504 HydrophobicContact CG-CG2 3.87Å; T504-Y506 HydrophobicContact CG2-CD1 4.34Å; T504-Y506 HydrophobicContact CG2-CD2 4.37Å; T504-Y506 HydrophobicContact CG2-CE1 3.94Å; T504-Y506 HydrophobicContact CG2-CE2 3.97Å
505	L	95.2	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.4	169.5	-52.4	177.9	0	0	0	109.1	V480 F503 T511 L528 L640 T672 L674	V480-L505 HydrophobicContact CB-CB 4.01Å; V480-L505 HydrophobicContact CB-CD1 4.15Å; V480-L505 HydrophobicContact CB-CG 4.25Å; V480-L505 HydrophobicContact CG2-CB 4.43Å; V480-L505 HydrophobicContact CG2-CD1 4.34Å; V480-L505 PolarHBondContact N-O 3.47Å; V480-L505 PolarHBondContact O-N 3.02Å; F503-L505 HydrophobicContact CD2-CD2 3.97Å; F503-L505 HydrophobicContact CD2-CG 4.23Å; F503-L505 HydrophobicContact CE2-CD1 4.28Å; F503-L505 HydrophobicContact CE2-CD2 3.72Å; F503-L505 HydrophobicContact CE2-CG 3.79Å; L505-T511 HydrophobicContact CD2-CG2 3.68Å; L505-L528 HydrophobicContact CD1-CD1 4.12Å; L505-L640 HydrophobicContact CD1-CD1 4.39Å; L505-T672 HydrophobicContact CB-CG2 3.63Å; L505-T672 HydrophobicContact CD1-CG2 4.45Å; L505-L674 HydrophobicContact CD1-CB 4.18Å; L505-L674 HydrophobicContact CD1-CD1 4.41Å; L505-L674 HydrophobicContact CD2-CD1 4.11Å
506	Y	93.7	Very high	92.6	Very high	112 Å²	112	36.3 Å²	36.3	44%	0.439	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-98.9	143.4	-176.2	-67	-84.6	0	0	0	111.8	L479 T504 K509	L479-Y506 HydrophobicContact CD1-CD1 3.85Å; L479-Y506 HydrophobicContact CD1-CE1 4.23Å; T504-Y506 HydrophobicContact CG2-CD1 4.34Å; T504-Y506 HydrophobicContact CG2-CD2 4.37Å; T504-Y506 HydrophobicContact CG2-CE1 3.94Å; T504-Y506 HydrophobicContact CG2-CE2 3.97Å; Y506-K509 PolarHBondContact O-N 2.92Å
507	P	92	Very high	92.5	Very high	55 Å²	55	37.7 Å²	37.7	36%	0.357	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	139	173.5	27.9	-35.5	0	0	0	111.7	K477 K509 T672	K477-P507 VanDerWaalsContact O-CB 3.29Å; K477-P507 WeakPolarHBondContact O-CB 3.49Å; P507-K509 PolarHBondContact O-N 2.96Å; P507-T672 VanDerWaalsContact CA-OG1 3.28Å; P507-T672 WeakPolarHBondContact CA-OG1 3.48Å
508	G	89.1	Confident	92.1	Very high	25 Å²	25	39.8 Å²	39.8	26%	0.258	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	8.8	-178.1	0	0	0	0	0	114.9	A669 R671	G508-A669 WeakPolarHBondContact CA-O 3.08Å; G508-R671 VanDerWaalsContact CA-O 3.26Å; G508-R671 WeakPolarHBondContact CA-O 3.38Å; G508-R671 PolarHBondContact N-O 3.44Å; G508-R671 VanDerWaalsContact N-O 3.12Å
509	K	91.6	Very high	91.9	Very high	98 Å²	98	40 Å²	40	43%	0.426	24%	0.243	S	C	.	.			trans	-115.7	137.9	177.5	-62.6	-163.5	-177.7	-179.5	0	111.7	Y506 P507 V673 H687	Y506-K509 PolarHBondContact O-N 2.92Å; P507-K509 PolarHBondContact O-N 2.96Å; K509-V673 PolarHBondContact O-N 3.27Å; K509-H687 HydrophobicContact CB-CB 4.29Å
510	V	93.1	Very high	91.8	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.1	168.2	-174.6	0	0	0	0	108.7	Y663 V673 L675 H687 H688	V510-Y663 HydrophobicContact CB-CE1 3.87Å; V510-Y663 HydrophobicContact CG1-CE1 4.05Å; V510-Y663 HydrophobicContact CG2-CD1 4.17Å; V510-Y663 HydrophobicContact CG2-CE1 3.86Å; V510-V673 HydrophobicContact CB-CB 4.39Å; V510-V673 HydrophobicContact CG1-CB 4.26Å; V510-V673 HydrophobicContact CG1-CG1 4.14Å; V510-V673 HydrophobicContact CG2-CB 4.1Å; V510-V673 HydrophobicContact CG2-CG2 4.38Å; V510-L675 HydrophobicContact CG1-CB 4.4Å; V510-H687 PolarHBondContact N-ND1 2.69Å; V510-H687 PolarHBondContact O-N 2.72Å; V510-H688 PolarHBondContact O-N 2.98Å
511	T	94.7	Very high	91.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.5	175.9	-53.7	0	0	0	0	109.5	L505 V673 L675 H688 L690	L505-T511 HydrophobicContact CD2-CG2 3.68Å; T511-V673 PolarHBondContact N-O 3.13Å; T511-L675 PolarHBondContact O-N 3.09Å; T511-H688 CarbonylContact C-O 3.47Å; T511-H688 VanDerWaalsContact CA-O 3.23Å; T511-H688 WeakPolarHBondContact CA-O 3.44Å; T511-H688 HydrophobicContact CG2-CB 4.25Å; T511-L690 HydrophobicContact CG2-CD1 3.76Å; T511-L690 HydrophobicContact CG2-CG 3.86Å
512	A	94.6	Very high	91.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.6	174.9	0	0	0	0	0	111.1	L675 A683 A686 H688 I689 L690	A512-L675 CarbonylContact C-O 3.53Å; A512-L675 WeakPolarHBondContact CA-O 3.12Å; A512-A683 HydrophobicContact CB-CB 4.41Å; A512-A686 HydrophobicContact CB-CB 3.53Å; A512-H688 PolarHBondContact N-O 3.32Å; A512-I689 HydrophobicContact CB-CG1 4.37Å; A512-I689 CarbonylContact O-C 3.6Å; A512-I689 WeakPolarHBondContact O-CA 3.47Å; A512-L690 PolarHBondContact O-N 2.97Å
513	L	94.3	Very high	91.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	110.8	173.4	-176.3	66.3	0	0	0	109.2	K521 V524 L674 L675 I676 L690 L692	L513-K521 HydrophobicContact CD2-CB 4.03Å; L513-K521 HydrophobicContact CD2-CG 4.3Å; L513-K521 HydrophobicContact CG-CB 4.44Å; L513-K521 HydrophobicContact CG-CG 4.25Å; L513-V524 HydrophobicContact CD2-CB 4.03Å; L513-V524 HydrophobicContact CD2-CG1 4.22Å; L513-V524 HydrophobicContact CD2-CG2 4.14Å; L513-L674 HydrophobicContact CB-CD1 4.07Å; L513-L675 PolarHBondContact N-O 3.18Å; L513-I676 HydrophobicContact CB-CG1 4.14Å; L513-I676 HydrophobicContact CD2-CG1 4.16Å; L513-I676 WeakPolarHBondContact O-CA 3.45Å; L513-L690 WeakPolarHBondContact CA-O 3.34Å; L513-L690 HydrophobicContact CD1-CB 3.74Å; L513-L690 HydrophobicContact CD1-CD1 4.49Å; L513-L692 HydrophobicContact CD1-CB 3.98Å
514	V	92.7	Very high	91.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	157.4	-173.8	-63	0	0	0	0	110.8	A683 I689 L690 F691 L692 Y713 M716	V514-A683 HydrophobicContact CG1-CB 3.98Å; V514-I689 HydrophobicContact CG2-CG2 3.63Å; V514-L690 WeakPolarHBondContact CG2-O 3.19Å; V514-L690 PolarHBondContact N-O 3.06Å; V514-F691 HydrophobicContact CG2-CB 4.31Å; V514-F691 HydrophobicContact CG2-CD2 3.78Å; V514-F691 HydrophobicContact CG2-CG 4.45Å; V514-F691 WeakPolarHBondContact O-CA 3.19Å; V514-L692 PolarHBondContact O-N 3.48Å; V514-Y713 HydrophobicContact CG2-CD2 3.93Å; V514-Y713 HydrophobicContact CG2-CE2 4.12Å; V514-M716 HydrophobicContact CB-CE 4.06Å; V514-M716 HydrophobicContact CB-SD 4.44Å; V514-M716 HydrophobicContact CG2-CE 4.25Å
515	G	90	Very high	91.6	Very high	8 Å²	8	32 Å²	32	8%	0.082	20%	0.198	C	C	.	.			trans	151.5	172.5	177.9	0	0	0	0	0	112.9	K521	G515-K521 PolarHBondContact O-NZ 3.1Å
516	P	87.7	Confident	91.5	Very high	68 Å²	68	32.6 Å²	32.6	44%	0.442	20%	0.202	S	C	.	.			trans	-63.2	160.8	-176.8	25.7	-33.9	0	0	0	113.1	G518 S519 K521 L692	P516-G518 PolarHBondContact O-N 3.45Å; P516-S519 WeakPolarHBondContact O-CB 3.15Å; P516-S519 PolarHBondContact O-N 2.94Å; P516-S519 PolarHBondContact O-OG 2.83Å; P516-K521 PolarHBondContact O-NZ 2.91Å; P516-L692 WeakPolarHBondContact CD-O 3.44Å
517	N	86.4	Confident	91.5	Very high	130 Å²	130	27.3 Å²	27.3	70%	0.695	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	138.5	172.8	-69.9	-16.8	0	0	0	110.2	S519 Q678	N517-S519 VanDerWaalsContact C-N 3.34Å; N517-S519 PolarHBondContact O-N 3.07Å; N517-Q678 PolarHBondContact OD1-NE2 2.85Å
518	G	85.2	Confident	91.5	Very high	79 Å²	79	24.8 Å²	24.8	81%	0.814	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	3.1	-176.4	0	0	0	0	0	115.9	P516 G520	P516-G518 PolarHBondContact O-N 3.45Å; G518-G520 PolarHBondContact O-N 3.35Å
519	S	89.9	Confident	91.6	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.028	16%	0.162	C	C	.	.	S	Bend	trans	-72.2	-8.2	179	66.6	0	0	0	0	115.6	P516 N517 K521 L692 G695	P516-S519 WeakPolarHBondContact O-CB 3.15Å; P516-S519 PolarHBondContact O-N 2.94Å; P516-S519 PolarHBondContact O-OG 2.83Å; N517-S519 VanDerWaalsContact C-N 3.34Å; N517-S519 PolarHBondContact O-N 3.07Å; S519-K521 WeakPolarHBondContact OG-CG 3.5Å; S519-L692 VanDerWaalsContact CB-O 3.24Å; S519-L692 WeakPolarHBondContact CB-O 3.49Å; S519-L692 WeakPolarHBondContact O-CD2 3.42Å; S519-L692 WeakPolarHBondContact O-CG 3.48Å; S519-L692 PolarHBondContact OG-O 3.28Å; S519-G695 WeakPolarHBondContact O-CA 3.32Å; S519-G695 PolarHBondContact O-N 3.31Å; S519-G695 VanDerWaalsContact O-N 3.16Å
520	G	90.5	Very high	91.6	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	15%	0.15	C	C	.	.	S	Bend	trans	104.7	9.6	179.5	0	0	0	0	0	115.8	G518 T523 V524	G518-G520 PolarHBondContact O-N 3.35Å; G520-T523 WeakPolarHBondContact O-CA 3.2Å; G520-T523 VanDerWaalsContact O-CB 3.23Å; G520-T523 WeakPolarHBondContact O-CB 3.23Å; G520-T523 PolarHBondContact O-N 3.1Å; G520-T523 VanDerWaalsContact O-N 3.1Å; G520-V524 PolarHBondContact O-N 2.95Å
521	K	91.7	Very high	91.4	Very high	17 Å²	17	25.1 Å²	25.1	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-53	-175.7	-52.3	-177.2	-63.8	-83.9	0	113.4	L513 G515 P516 S519 T523 V524 A525 I676 L692	L513-K521 HydrophobicContact CD2-CB 4.03Å; L513-K521 HydrophobicContact CD2-CG 4.3Å; L513-K521 HydrophobicContact CG-CB 4.44Å; L513-K521 HydrophobicContact CG-CG 4.25Å; G515-K521 PolarHBondContact O-NZ 3.1Å; P516-K521 PolarHBondContact O-NZ 2.91Å; S519-K521 WeakPolarHBondContact OG-CG 3.5Å; K521-T523 PolarHBondContact O-N 3.02Å; K521-V524 WeakPolarHBondContact O-CB 3.41Å; K521-V524 PolarHBondContact O-N 2.81Å; K521-V524 VanDerWaalsContact O-N 3.1Å; K521-A525 PolarHBondContact O-N 2.96Å; K521-I676 HydrophobicContact CB-CD1 4.31Å; K521-I676 HydrophobicContact CB-CG2 3.64Å; K521-I676 HydrophobicContact CD-CG2 3.86Å; K521-I676 HydrophobicContact CG-CG2 4.32Å; K521-I676 WeakPolarHBondContact O-CD1 3.02Å; K521-L692 HydrophobicContact CG-CD2 4Å
522	S	91.2	Very high	91.2	Very high	53 Å²	53	26.9 Å²	26.9	37%	0.371	17%	0.171	S	C	.	.	H	α-helix	trans	-64.9	-26.7	176.8	-51.4	0	0	0	0	112.4	A525 A526 D644	S522-A525 WeakPolarHBondContact O-CB 3.39Å; S522-A525 PolarHBondContact O-N 3.47Å; S522-A526 PolarHBondContact O-N 3.33Å; S522-D644 VanDerWaalsContact CB-OD2 3.27Å; S522-D644 WeakPolarHBondContact CB-OD2 3.26Å; S522-D644 PolarHBondContact OG-OD2 2.95Å
523	T	92.9	Very high	90.9	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-38.9	173.3	-49.9	0	0	0	0	111.6	F487 Y489 V497 L498 G520 K521 A525 A526 L527	F487-T523 HydrophobicContact CD1-CG2 3.29Å; F487-T523 HydrophobicContact CE1-CG2 3.57Å; F487-T523 HydrophobicContact CG-CG2 4.26Å; Y489-T523 HydrophobicContact CE2-CG2 4.18Å; Y489-T523 PolarHBondContact OH-OG1 2.98Å; V497-T523 HydrophobicContact CG1-CG2 4.21Å; L498-T523 HydrophobicContact CD1-CG2 3.9Å; L498-T523 HydrophobicContact CG-CG2 4.12Å; G520-T523 WeakPolarHBondContact O-CA 3.2Å; G520-T523 VanDerWaalsContact O-CB 3.23Å; G520-T523 WeakPolarHBondContact O-CB 3.23Å; G520-T523 PolarHBondContact O-N 3.1Å; G520-T523 VanDerWaalsContact O-N 3.1Å; K521-T523 PolarHBondContact O-N 3.02Å; T523-A525 VanDerWaalsContact C-N 3.34Å; T523-A525 PolarHBondContact O-N 3.28Å; T523-A526 PolarHBondContact O-N 2.98Å; T523-L527 WeakPolarHBondContact O-CG 3.45Å; T523-L527 PolarHBondContact O-N 3.38Å
524	V	94	Very high	90.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-44.9	172.2	176.9	0	0	0	0	110.8	F482 L498 L501 F503 L513 G520 K521 A526 L527 L528 L674	F482-V524 HydrophobicContact CE1-CG1 4.34Å; F482-V524 HydrophobicContact CE2-CG1 4.44Å; F482-V524 HydrophobicContact CZ-CG1 3.93Å; L498-V524 HydrophobicContact CD1-CG2 4.2Å; L498-V524 HydrophobicContact CD2-CG2 4.2Å; L501-V524 HydrophobicContact CD2-CG2 3.61Å; F503-V524 HydrophobicContact CE1-CG1 4.31Å; F503-V524 HydrophobicContact CZ-CG1 3.75Å; L513-V524 HydrophobicContact CD2-CB 4.03Å; L513-V524 HydrophobicContact CD2-CG1 4.22Å; L513-V524 HydrophobicContact CD2-CG2 4.14Å; G520-V524 PolarHBondContact O-N 2.95Å; K521-V524 WeakPolarHBondContact O-CB 3.41Å; K521-V524 PolarHBondContact O-N 2.81Å; K521-V524 VanDerWaalsContact O-N 3.1Å; V524-A526 VanDerWaalsContact C-N 3.32Å; V524-A526 PolarHBondContact O-N 3.01Å; V524-L527 PolarHBondContact O-N 2.93Å; V524-L528 HydrophobicContact CG1-CD1 4.37Å; V524-L528 WeakPolarHBondContact O-CG 3.42Å; V524-L528 PolarHBondContact O-N 3.48Å; V524-L674 HydrophobicContact CG1-CD2 4.23Å
525	A	93.5	Very high	90.6	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-40	175.4	0	0	0	0	0	112.4	K521 S522 T523 Q529 I642 I676	K521-A525 PolarHBondContact O-N 2.96Å; S522-A525 WeakPolarHBondContact O-CB 3.39Å; S522-A525 PolarHBondContact O-N 3.47Å; T523-A525 VanDerWaalsContact C-N 3.34Å; T523-A525 PolarHBondContact O-N 3.28Å; A525-Q529 WeakPolarHBondContact O-CG 3.18Å; A525-Q529 PolarHBondContact O-N 2.84Å; A525-Q529 PolarHBondContact O-NE2 2.92Å; A525-I642 HydrophobicContact CB-CG2 3.71Å; A525-I676 HydrophobicContact CB-CD1 3.84Å
526	A	92.7	Very high	90.7	Very high	11 Å²	11	37.9 Å²	37.9	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-37.7	179.2	0	0	0	0	0	112.8	S522 T523 V524 Q529 N530 L531 Y532	S522-A526 PolarHBondContact O-N 3.33Å; T523-A526 PolarHBondContact O-N 2.98Å; V524-A526 VanDerWaalsContact C-N 3.32Å; V524-A526 PolarHBondContact O-N 3.01Å; A526-Q529 PolarHBondContact O-N 3.5Å; A526-N530 PolarHBondContact O-N 3.25Å; A526-L531 HydrophobicContact CB-CD1 4.47Å; A526-L531 WeakPolarHBondContact O-CB 3.13Å; A526-L531 PolarHBondContact O-N 3.48Å; A526-Y532 HydrophobicContact CB-CD2 3.88Å; A526-Y532 HydrophobicContact CB-CE2 4.14Å
527	L	93.1	Very high	90.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-68	-39.2	174.6	-71.3	177	0	0	0	112.2	F482 V485 F487 L498 T523 V524 Q529 N530 Y532 L546	F482-L527 HydrophobicContact CE1-CB 4.46Å; F482-L527 HydrophobicContact CE1-CD1 4.44Å; V485-L527 HydrophobicContact CG1-CD1 3.95Å; F487-L527 HydrophobicContact CB-CD1 4.13Å; F487-L527 HydrophobicContact CD2-CD2 3.9Å; F487-L527 HydrophobicContact CE2-CD2 4.18Å; F487-L527 HydrophobicContact CG-CD1 4.31Å; F487-L527 HydrophobicContact CG-CD2 4.27Å; L498-L527 HydrophobicContact CD1-CD1 3.48Å; L498-L527 VanDerWaalsContact CD1-CD1 3.48Å; T523-L527 WeakPolarHBondContact O-CG 3.45Å; T523-L527 PolarHBondContact O-N 3.38Å; V524-L527 PolarHBondContact O-N 2.93Å; L527-Q529 VanDerWaalsContact C-N 3.27Å; L527-Q529 PolarHBondContact O-N 2.91Å; L527-N530 WeakPolarHBondContact O-CA 3.38Å; L527-N530 PolarHBondContact O-N 2.97Å; L527-Y532 WeakPolarHBondContact CD2-O 3.46Å; L527-L546 VanDerWaalsContact O-CD1 3.32Å; L527-L546 WeakPolarHBondContact O-CD1 3.31Å
528	L	93.1	Very high	91.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-34.5	175.4	-82.7	176.6	0	0	0	113.4	V480 F482 L505 V524 N530 V539 L640 I642 L674	V480-L528 HydrophobicContact CB-CD2 4.41Å; V480-L528 HydrophobicContact CG1-CD2 3.45Å; V480-L528 VanDerWaalsContact CG1-CD2 3.45Å; V480-L528 HydrophobicContact CG2-CD2 4.36Å; F482-L528 HydrophobicContact CE2-CD1 4.46Å; F482-L528 HydrophobicContact CE2-CD2 3.5Å; F482-L528 VanDerWaalsContact CE2-CD2 3.5Å; F482-L528 HydrophobicContact CE2-CG 3.86Å; F482-L528 HydrophobicContact CZ-CD2 3.86Å; F482-L528 HydrophobicContact CZ-CG 3.81Å; L505-L528 HydrophobicContact CD1-CD1 4.12Å; V524-L528 HydrophobicContact CG1-CD1 4.37Å; V524-L528 WeakPolarHBondContact O-CG 3.42Å; V524-L528 PolarHBondContact O-N 3.48Å; L528-N530 PolarHBondContact O-N 3.42Å; L528-V539 HydrophobicContact CD2-CG1 4.35Å; L528-L640 HydrophobicContact CD2-CD2 4.25Å; L528-I642 HydrophobicContact CB-CD1 3.61Å; L528-I642 HydrophobicContact CD1-CD1 4.01Å; L528-I642 HydrophobicContact CD1-CG1 4.32Å; L528-I642 HydrophobicContact CG-CD1 4.46Å; L528-L674 HydrophobicContact CD1-CD2 3.34Å
529	Q	91.5	Very high	91.7	Very high	40 Å²	40	32.8 Å²	32.8	19%	0.187	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.7	174.2	-70.8	171.1	78.9	0	0	112.7	A525 A526 L527 L531 H555 V558 A560 I642	A525-Q529 WeakPolarHBondContact O-CG 3.18Å; A525-Q529 PolarHBondContact O-N 2.84Å; A525-Q529 PolarHBondContact O-NE2 2.92Å; A526-Q529 PolarHBondContact O-N 3.5Å; L527-Q529 VanDerWaalsContact C-N 3.27Å; L527-Q529 PolarHBondContact O-N 2.91Å; Q529-L531 HydrophobicContact CB-CD1 4.15Å; Q529-L531 HydrophobicContact CB-CD2 4.42Å; Q529-L531 HydrophobicContact CB-CG 3.74Å; Q529-L531 PolarHBondContact O-N 3.02Å; Q529-H555 PolarHBondContact O-CE1 2.68Å; Q529-H555 PolarHBondContact O-NE2 2.74Å; Q529-V558 HydrophobicContact CG-CG1 4.4Å; Q529-A560 HydrophobicContact CG-CB 3.92Å; Q529-I642 HydrophobicContact CG-CD1 3.96Å
530	N	91	Very high	91.9	Very high	34 Å²	34	33.4 Å²	33.4	18%	0.182	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	31.8	-173.1	-163.9	35	0	0	0	113	A526 L527 L528 Y532 L546 L554	A526-N530 PolarHBondContact O-N 3.25Å; L527-N530 WeakPolarHBondContact O-CA 3.38Å; L527-N530 PolarHBondContact O-N 2.97Å; L528-N530 PolarHBondContact O-N 3.42Å; N530-Y532 VanDerWaalsContact C-N 3.29Å; N530-L546 HydrophobicContact CB-CB 4.38Å; N530-L554 HydrophobicContact CB-CD2 3.59Å
531	L	88.8	Confident	92.1	Very high	60 Å²	60	33.2 Å²	33.2	31%	0.314	19%	0.192	S	C	.	.	S	Bend	trans	-73	-29.6	173.8	-61.8	179.5	0	0	0	111.1	T250 A526 Q529	T250-L531 HydrophobicContact CG2-CB 4.13Å; T250-L531 HydrophobicContact CG2-CD2 4.16Å; T250-L531 PolarHBondContact OG1-O 3.36Å; A526-L531 HydrophobicContact CB-CD1 4.47Å; A526-L531 WeakPolarHBondContact O-CB 3.13Å; A526-L531 PolarHBondContact O-N 3.48Å; Q529-L531 HydrophobicContact CB-CD1 4.15Å; Q529-L531 HydrophobicContact CB-CD2 4.42Å; Q529-L531 HydrophobicContact CB-CG 3.74Å; Q529-L531 PolarHBondContact O-N 3.02Å
532	Y	89.6	Confident	92.1	Very high	38 Å²	38	34.6 Å²	34.6	15%	0.149	20%	0.2	C	C	.	.	S	Bend	trans	-131.7	154.6	173.8	-58.9	-84.7	0	0	0	109.5	T250 F487 Y489 A526 L527 N530	T250-Y532 VanDerWaalsContact OG1-CE1 3.25Å; T250-Y532 WeakPolarHBondContact OG1-CE1 3.34Å; F487-Y532 HydrophobicContact CE2-CD1 4.49Å; F487-Y532 HydrophobicContact CE2-CG 4.2Å; F487-Y532 HydrophobicContact CZ-CD1 4.03Å; F487-Y532 HydrophobicContact CZ-CD2 4.39Å; F487-Y532 AromaticContact CZ-CG 3.78Å; F487-Y532 HydrophobicContact CZ-CG 3.78Å; Y489-Y532 HydrophobicContact CD1-CE1 4.3Å; Y489-Y532 HydrophobicContact CE1-CD2 4.38Å; Y489-Y532 HydrophobicContact CE1-CE1 4.43Å; Y489-Y532 AromaticContact CE1-CE2 3.94Å; Y489-Y532 HydrophobicContact CE1-CE2 3.94Å; Y489-Y532 AromaticContact CE1-CZ 3.97Å; A526-Y532 HydrophobicContact CB-CD2 3.88Å; A526-Y532 HydrophobicContact CB-CE2 4.14Å; L527-Y532 WeakPolarHBondContact CD2-O 3.46Å; N530-Y532 VanDerWaalsContact C-N 3.29Å
533	Q	88.4	Confident	92.1	Very high	78 Å²	78	34.1 Å²	34.1	36%	0.364	20%	0.204	S	C	.	.			trans	-96.6	142.6	171.7	-64.6	-171.4	-6.5	0	0	110.2	S465 F487 V547	S465-Q533 VanDerWaalsContact CB-NE2 3.29Å; F487-Q533 VanDerWaalsContact CD2-O 3.3Å; F487-Q533 WeakPolarHBondContact CD2-O 3.47Å; F487-Q533 WeakPolarHBondContact CE2-O 3.49Å; Q533-V547 HydrophobicContact CG-CG2 4.28Å
534	P	91.2	Very high	92.1	Very high	37 Å²	37	37.9 Å²	37.9	24%	0.24	22%	0.221	C	C	.	.			trans	-64	142.9	175.3	30.2	-36.1	0	0	0	110.6	V485 G536	V485-P534 HydrophobicContact CG1-CB 3.78Å; P534-G536 VanDerWaalsContact C-N 3.34Å
535	T	90.5	Very high	92	Very high	98 Å²	98	39.2 Å²	39.2	60%	0.601	23%	0.23	S	C	*	.	S	Bend	trans	-73.3	-30.2	176.5	-47.6	0	0	0	0	111.5	S486 A488	S486-T535 WeakPolarHBondContact O-CA 3.47Å; S486-T535 WeakPolarHBondContact O-CB 3.35Å; S486-T535 PolarHBondContact O-N 3.11Å; A488-T535 PolarHBondContact N-OG1 3.08Å; A488-T535 VanDerWaalsContact N-OG1 3.15Å
536	G	92	Very high	91.9	Very high	28 Å²	28	39.5 Å²	39.5	29%	0.289	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.8	173	0	0	0	0	0	110.8	V485 S486 P534	V485-G536 WeakPolarHBondContact CA-O 3.28Å; S486-G536 PolarHBondContact N-O 3.42Å; S486-G536 PolarHBondContact O-N 3.28Å; P534-G536 VanDerWaalsContact C-N 3.34Å
537	G	92.4	Very high	91.6	Very high	39 Å²	39	41.4 Å²	41.4	40%	0.402	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.4	-169.2	-175.1	0	0	0	0	0	113.7	Q483 D484	Q483-G537 VanDerWaalsContact O-CA 3.24Å; Q483-G537 WeakPolarHBondContact O-CA 3.43Å; D484-G537 VanDerWaalsContact O-CA 3.27Å; D484-G537 WeakPolarHBondContact O-CA 3.41Å
538	K	93.2	Very high	91.4	Very high	123 Å²	123	45.3 Å²	45.3	54%	0.535	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.4	-177.7	-63.2	-179.4	-176.5	176	0	111.6	Q483 V485 L540	Q483-K538 PolarHBondContact N-O 3.21Å; Q483-K538 PolarHBondContact O-N 3.44Å; V485-K538 VanDerWaalsContact CG2-O 3.31Å; V485-K538 WeakPolarHBondContact CG2-O 3.4Å; K538-L540 HydrophobicContact CB-CD2 4.24Å
539	V	94.6	Very high	91.3	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.048	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.4	167.1	-173.1	0	0	0	0	107.7	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 4.23Å; F482-V539 HydrophobicContact CE1-CG1 4.3Å; F482-V539 HydrophobicContact CE1-CG2 3.61Å; F482-V539 HydrophobicContact CE2-CG1 3.83Å; F482-V539 HydrophobicContact CG-CG2 4.47Å; F482-V539 HydrophobicContact CZ-CG1 3.85Å; F482-V539 HydrophobicContact CZ-CG2 3.98Å; V485-V539 HydrophobicContact CG1-CG2 4.39Å; V485-V539 HydrophobicContact CG2-CG2 3.87Å; L528-V539 HydrophobicContact CD2-CG1 4.35Å; V539-P545 WeakPolarHBondContact O-CA 3.42Å; V539-L546 HydrophobicContact CB-CD1 3.88Å; V539-L546 HydrophobicContact CB-CG 4.31Å; V539-L546 HydrophobicContact CG1-CD1 3.42Å; V539-L546 VanDerWaalsContact CG1-CD1 3.42Å; V539-L546 HydrophobicContact CG1-CG 4.01Å; V539-L546 PolarHBondContact O-N 2.87Å
540	L	94.6	Very high	91.2	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.8	-177	-53.7	173.6	0	0	0	110.1	V480 K481 Q483 K538 E544 P545	V480-L540 CarbonylContact C-O 3.54Å; V480-L540 WeakPolarHBondContact CA-O 3.22Å; K481-L540 HydrophobicContact CB-CB 4.32Å; K481-L540 PolarHBondContact N-O 2.94Å; K481-L540 PolarHBondContact O-N 3.32Å; Q483-L540 HydrophobicContact CG-CD1 4.41Å; K538-L540 HydrophobicContact CB-CD2 4.24Å; L540-E544 CarbonylContact C-O 3.46Å; L540-E544 VanDerWaalsContact CA-O 3.27Å; L540-E544 WeakPolarHBondContact CA-O 3.37Å; L540-P545 HydrophobicContact CD2-CB 4.22Å; L540-P545 HydrophobicContact CD2-CG 3.78Å
541	L	93.9	Very high	91.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.2	168.5	-179.5	65.2	0	0	0	107.5	M476 V480 G543 E544 L546 Y549 L554	M476-L541 HydrophobicContact CE-CD2 3.55Å; M476-L541 HydrophobicContact CE-CG 4.35Å; M476-L541 HydrophobicContact SD-CD1 4.39Å; M476-L541 HydrophobicContact SD-CD2 3.89Å; M476-L541 HydrophobicContact SD-CG 4.38Å; V480-L541 HydrophobicContact CG2-CD1 3.74Å; L541-G543 PolarHBondContact O-N 3.03Å; L541-E544 PolarHBondContact N-O 3.33Å; L541-E544 PolarHBondContact O-N 3.23Å; L541-L546 HydrophobicContact CB-CD2 3.7Å; L541-L546 HydrophobicContact CD2-CD2 4.03Å; L541-L546 HydrophobicContact CG-CD2 4.5Å; L541-Y549 HydrophobicContact CB-CE2 3.93Å; L541-Y549 HydrophobicContact CD2-CE1 4.37Å; L541-Y549 HydrophobicContact CD2-CE2 4.31Å; L541-Y549 HydrophobicContact CG-CE2 4.44Å; L541-Y549 PolarHBondContact O-OH 3.07Å; L541-L554 HydrophobicContact CD2-CD1 3.82Å
542	D	92.9	Very high	91	Very high	46 Å²	46	51.7 Å²	51.7	25%	0.246	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	23.8	-174.8	-67.9	-23.4	0	0	0	115.5	M476 K477 G478 L479	M476-D542 WeakPolarHBondContact CA-OD2 3.5Å; M476-D542 VanDerWaalsContact CG-OD2 3.24Å; M476-D542 WeakPolarHBondContact CG-OD2 3.27Å; K477-D542 WeakPolarHBondContact CB-OD1 3.49Å; K477-D542 PolarHBondContact N-OD2 3.39Å; G478-D542 PolarHBondContact N-OD1 3.28Å; G478-D542 PolarHBondContact N-OD2 3.37Å; L479-D542 WeakPolarHBondContact CB-OD1 3.4Å; L479-D542 PolarHBondContact N-OD1 3.02Å; L479-D542 PolarHBondContact O-N 3.4Å
543	G	91.2	Very high	91.1	Very high	44 Å²	44	51.5 Å²	51.5	45%	0.454	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.5	-14.5	-179.4	0	0	0	0	0	114.6	L541	L541-G543 PolarHBondContact O-N 3.03Å
544	E	92.6	Very high	91.2	Very high	87 Å²	87	47.8 Å²	47.8	41%	0.407	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.1	-178.8	-63.6	-60.7	161.8	0	0	111.8	L471 L540 L541 Q548 Y549	L471-E544 HydrophobicContact CD1-CB 4.13Å; L471-E544 HydrophobicContact CD1-CG 4.09Å; L540-E544 CarbonylContact C-O 3.46Å; L540-E544 VanDerWaalsContact CA-O 3.27Å; L540-E544 WeakPolarHBondContact CA-O 3.37Å; L541-E544 PolarHBondContact N-O 3.33Å; L541-E544 PolarHBondContact O-N 3.23Å; E544-Q548 PolarHBondContact OE2-OE1 3.22Å; E544-Y549 HydrophobicContact CB-CE2 3.84Å
545	P	92.2	Very high	91.2	Very high	28 Å²	28	47.7 Å²	47.7	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	138.1	175.8	-21.5	31.8	0	0	0	112.7	V539 L540 V547 Q548	V539-P545 WeakPolarHBondContact O-CA 3.42Å; L540-P545 HydrophobicContact CD2-CB 4.22Å; L540-P545 HydrophobicContact CD2-CG 3.78Å; P545-V547 PolarHBondContact O-N 2.71Å; P545-Q548 HydrophobicContact CB-CG 4.43Å; P545-Q548 PolarHBondContact O-N 3Å
546	L	90.6	Very high	91.2	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.042	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-53	-31.6	179.6	-75	179.3	0	0	0	114	L527 N530 V539 L541 Q548 Y549 L554	L527-L546 VanDerWaalsContact O-CD1 3.32Å; L527-L546 WeakPolarHBondContact O-CD1 3.31Å; N530-L546 HydrophobicContact CB-CB 4.38Å; V539-L546 HydrophobicContact CB-CD1 3.88Å; V539-L546 HydrophobicContact CB-CG 4.31Å; V539-L546 HydrophobicContact CG1-CD1 3.42Å; V539-L546 VanDerWaalsContact CG1-CD1 3.42Å; V539-L546 HydrophobicContact CG1-CG 4.01Å; V539-L546 PolarHBondContact O-N 2.87Å; L541-L546 HydrophobicContact CB-CD2 3.7Å; L541-L546 HydrophobicContact CD2-CD2 4.03Å; L541-L546 HydrophobicContact CG-CD2 4.5Å; L546-Q548 PolarHBondContact O-N 3.4Å; L546-Y549 PolarHBondContact O-N 3Å; L546-L554 HydrophobicContact CD2-CD1 3.94Å; L546-L554 HydrophobicContact CD2-CD2 4.49Å
547	V	86.6	Confident	91.1	Very high	51 Å²	51	46.8 Å²	46.8	31%	0.309	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-63.2	-22.9	179.6	-177.3	0	0	0	0	113	P466 Q533 P545	P466-V547 HydrophobicContact CG-CG1 3.8Å; Q533-V547 HydrophobicContact CG-CG2 4.28Å; P545-V547 PolarHBondContact O-N 2.71Å
548	Q	89.3	Confident	91.2	Very high	85 Å²	85	45.1 Å²	45.1	40%	0.397	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-86.1	-13.7	-178.4	-61.6	-175	11.2	0	0	113.7	G469 S470 L471 E544 P545 L546	G469-Q548 CarbonylContact C-O 3.45Å; G469-Q548 VanDerWaalsContact CA-O 3.3Å; G469-Q548 WeakPolarHBondContact CA-O 3.18Å; S470-Q548 PolarHBondContact N-O 2.69Å; S470-Q548 VanDerWaalsContact N-O 3.13Å; L471-Q548 WeakPolarHBondContact CB-O 3.35Å; L471-Q548 HydrophobicContact CD1-CB 3.57Å; L471-Q548 HydrophobicContact CG-CB 4.19Å; L471-Q548 WeakPolarHBondContact CG-O 3.46Å; L471-Q548 PolarHBondContact N-O 2.99Å; E544-Q548 PolarHBondContact OE2-OE1 3.22Å; P545-Q548 HydrophobicContact CB-CG 4.43Å; P545-Q548 PolarHBondContact O-N 3Å; L546-Q548 PolarHBondContact O-N 3.4Å
549	Y	90.5	Very high	91.2	Very high	8 Å²	8	39.5 Å²	39.5	3%	0.031	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-75.1	144.9	177.6	-74.6	-92.1	0	0	0	111.5	G469 L471 P473 M476 L541 E544 L546 H551 Y553	G469-Y549 WeakPolarHBondContact CA-O 3.06Å; G469-Y549 PolarHBondContact N-O 3.45Å; L471-Y549 HydrophobicContact CB-CD1 4.32Å; L471-Y549 WeakPolarHBondContact O-CA 3.39Å; P473-Y549 HydrophobicContact CG-CE1 3.89Å; M476-Y549 HydrophobicContact CE-CE1 4.12Å; L541-Y549 HydrophobicContact CB-CE2 3.93Å; L541-Y549 HydrophobicContact CD2-CE1 4.37Å; L541-Y549 HydrophobicContact CD2-CE2 4.31Å; L541-Y549 HydrophobicContact CG-CE2 4.44Å; L541-Y549 PolarHBondContact O-OH 3.07Å; E544-Y549 HydrophobicContact CB-CE2 3.84Å; L546-Y549 PolarHBondContact O-N 3Å; Y549-H551 PolarHBondContact O-N 3.41Å; Y549-Y553 HydrophobicContact CD1-CD1 4.06Å; Y549-Y553 HydrophobicContact CD1-CE1 4.04Å; Y549-Y553 HydrophobicContact CE1-CE1 4.27Å
550	D	89.9	Confident	91.1	Very high	43 Å²	43	40.8 Å²	40.8	23%	0.23	22%	0.222	C	C	.	.			trans	-63.7	130.9	166.1	174.5	77.3	0	0	0	109.5	S468 G469 L471 H552 Y553 L554	S468-D550 VanDerWaalsContact OG-CA 3.26Å; S468-D550 WeakPolarHBondContact OG-CA 3.43Å; S468-D550 PolarHBondContact OG-OD1 2.98Å; G469-D550 WeakPolarHBondContact O-CA 3.03Å; L471-D550 PolarHBondContact O-N 3.36Å; D550-H552 PolarHBondContact O-N 3.41Å; D550-H552 WeakPolarHBondContact OD2-CB 3.48Å; D550-H552 PolarHBondContact OD2-N 3.34Å; D550-H552 VanDerWaalsContact OD2-N 3.07Å; D550-Y553 PolarHBondContact O-N 2.93Å; D550-Y553 PolarHBondContact OD2-N 3.18Å; D550-L554 WeakPolarHBondContact O-CB 3.22Å; D550-L554 PolarHBondContact O-N 3.46Å
551	H	87.6	Confident	91	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.347	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-42.6	-175.5	176.8	82.7	0	0	0	112	S468 Y549 L554 H555	S468-H551 PolarHBondContact OG-N 3.08Å; Y549-H551 PolarHBondContact O-N 3.41Å; H551-L554 PolarHBondContact O-N 2.96Å; H551-H555 AromaticContact CD2-CD2 3.89Å; H551-H555 AromaticContact CE1-CD2 3.12Å; H551-H555 PolarHBondContact CE1-CD2 3.12Å; H551-H555 AromaticContact CE1-NE2 3.01Å; H551-H555 PolarHBondContact CE1-NE2 2.8Å; H551-H555 AromaticContact CG-CD2 3.86Å; H551-H555 AromaticContact ND1-CD2 3.38Å; H551-H555 PolarHBondContact ND1-CD2 3.12Å; H551-H555 AromaticContact ND1-NE2 3.38Å; H551-H555 PolarHBondContact ND1-NE2 3.21Å; H551-H555 AromaticContact NE2-CD2 3.44Å; H551-H555 PolarHBondContact NE2-CD2 2.88Å; H551-H555 AromaticContact NE2-NE2 3.76Å; H551-H555 PolarHBondContact O-CD2 2.81Å; H551-H555 PolarHBondContact O-N 3.42Å
552	H	88.2	Confident	90.8	Very high	143 Å²	143	41.7 Å²	41.7	66%	0.662	24%	0.235	S	C	*	.	H	α-helix	trans	-66.6	-42.6	178.3	-68.2	-54.1	0	0	0	111.5	D550 T556	D550-H552 PolarHBondContact O-N 3.41Å; D550-H552 WeakPolarHBondContact OD2-CB 3.48Å; D550-H552 PolarHBondContact OD2-N 3.34Å; D550-H552 VanDerWaalsContact OD2-N 3.07Å; H552-T556 PolarHBondContact O-N 3.25Å; H552-T556 PolarHBondContact O-OG1 3.17Å
553	Y	90.3	Very high	90.5	Very high	34 Å²	34	44.2 Å²	44.2	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-47.8	174	176.6	-93.8	0	0	0	111.6	A472 P473 M476 Y549 D550 H555 T556 Q557	A472-Y553 HydrophobicContact CB-CD1 4.33Å; A472-Y553 HydrophobicContact CB-CD2 3.78Å; A472-Y553 HydrophobicContact CB-CE2 4.37Å; A472-Y553 HydrophobicContact CB-CG 3.76Å; P473-Y553 HydrophobicContact CG-CE1 4.01Å; P473-Y553 VanDerWaalsContact O-CE2 3.29Å; P473-Y553 WeakPolarHBondContact O-CE2 3.32Å; P473-Y553 PolarHBondContact O-OH 2.96Å; M476-Y553 HydrophobicContact CE-CD1 4.48Å; M476-Y553 HydrophobicContact CE-CE1 3.48Å; M476-Y553 VanDerWaalsContact CE-CE1 3.48Å; Y549-Y553 HydrophobicContact CD1-CD1 4.06Å; Y549-Y553 HydrophobicContact CD1-CE1 4.04Å; Y549-Y553 HydrophobicContact CE1-CE1 4.27Å; D550-Y553 PolarHBondContact O-N 2.93Å; D550-Y553 PolarHBondContact OD2-N 3.18Å; Y553-H555 PolarHBondContact O-N 3.46Å; Y553-T556 WeakPolarHBondContact O-CB 3.3Å; Y553-T556 PolarHBondContact O-N 3.13Å; Y553-T556 VanDerWaalsContact O-N 3.08Å; Y553-Q557 HydrophobicContact CD1-CG 4.42Å; Y553-Q557 HydrophobicContact CE1-CG 3.88Å; Y553-Q557 HydrophobicContact CE2-CG 4.14Å; Y553-Q557 PolarHBondContact O-N 2.87Å; Y553-Q557 VanDerWaalsContact O-N 3.16Å
554	L	91.9	Very high	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-48.3	-180	-177.1	67.7	0	0	0	111.5	N530 L541 L546 D550 H551 T556 Q557 V558	N530-L554 HydrophobicContact CB-CD2 3.59Å; L541-L554 HydrophobicContact CD2-CD1 3.82Å; L546-L554 HydrophobicContact CD2-CD1 3.94Å; L546-L554 HydrophobicContact CD2-CD2 4.49Å; D550-L554 WeakPolarHBondContact O-CB 3.22Å; D550-L554 PolarHBondContact O-N 3.46Å; H551-L554 PolarHBondContact O-N 2.96Å; L554-T556 PolarHBondContact O-N 3.42Å; L554-Q557 CarbonylContact O-C 3.5Å; L554-Q557 PolarHBondContact O-N 3Å; L554-V558 HydrophobicContact CD1-CG2 3.68Å; L554-V558 HydrophobicContact CG-CG2 4.2Å; L554-V558 WeakPolarHBondContact O-CB 3.29Å; L554-V558 PolarHBondContact O-N 2.91Å
555	H	90.9	Very high	89.7	Confident	35 Å²	35	46.4 Å²	46.4	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-75.5	-6.5	179.8	-74.1	-68.2	0	0	0	114.8	Q529 H551 Y553 R636	Q529-H555 PolarHBondContact O-CE1 2.68Å; Q529-H555 PolarHBondContact O-NE2 2.74Å; H551-H555 AromaticContact CD2-CD2 3.89Å; H551-H555 AromaticContact CE1-CD2 3.12Å; H551-H555 PolarHBondContact CE1-CD2 3.12Å; H551-H555 AromaticContact CE1-NE2 3.01Å; H551-H555 PolarHBondContact CE1-NE2 2.8Å; H551-H555 AromaticContact CG-CD2 3.86Å; H551-H555 AromaticContact ND1-CD2 3.38Å; H551-H555 PolarHBondContact ND1-CD2 3.12Å; H551-H555 AromaticContact ND1-NE2 3.38Å; H551-H555 PolarHBondContact ND1-NE2 3.21Å; H551-H555 AromaticContact NE2-CD2 3.44Å; H551-H555 PolarHBondContact NE2-CD2 2.88Å; H551-H555 AromaticContact NE2-NE2 3.76Å; H551-H555 PolarHBondContact O-CD2 2.81Å; H551-H555 PolarHBondContact O-N 3.42Å; Y553-H555 PolarHBondContact O-N 3.46Å; H555-R636 PolarHBondContact O-NH1 3.37Å
556	T	89.3	Confident	89.3	Confident	71 Å²	71	50.6 Å²	50.6	44%	0.436	27%	0.265	S	S	.	.	H	α-helix	trans	-81.6	-36.4	165.6	-55.1	0	0	0	0	110.5	H552 Y553 L554	H552-T556 PolarHBondContact O-N 3.25Å; H552-T556 PolarHBondContact O-OG1 3.17Å; Y553-T556 WeakPolarHBondContact O-CB 3.3Å; Y553-T556 PolarHBondContact O-N 3.13Å; Y553-T556 VanDerWaalsContact O-N 3.08Å; L554-T556 PolarHBondContact O-N 3.42Å
557	Q	91.2	Very high	89.3	Confident	37 Å²	37	50.5 Å²	50.5	17%	0.173	26%	0.264	C	S	.	.	H	α-helix	trans	-89.3	-27.3	-178	-58.6	-59.2	-36.3	0	0	114	M476 Y553 L554 P638 R639 L640	M476-Q557 HydrophobicContact CE-CB 3.7Å; M476-Q557 HydrophobicContact CE-CG 3.67Å; M476-Q557 HydrophobicContact SD-CB 3.53Å; M476-Q557 VanDerWaalsContact SD-CB 3.53Å; M476-Q557 HydrophobicContact SD-CG 3.92Å; Y553-Q557 HydrophobicContact CD1-CG 4.42Å; Y553-Q557 HydrophobicContact CE1-CG 3.88Å; Y553-Q557 HydrophobicContact CE2-CG 4.14Å; Y553-Q557 PolarHBondContact O-N 2.87Å; Y553-Q557 VanDerWaalsContact O-N 3.16Å; L554-Q557 CarbonylContact O-C 3.5Å; L554-Q557 PolarHBondContact O-N 3Å; Q557-P638 CarbonylContact O-C 3.6Å; Q557-P638 WeakPolarHBondContact O-CA 3.29Å; Q557-P638 VanDerWaalsContact O-CB 3.29Å; Q557-P638 WeakPolarHBondContact O-CB 3.23Å; Q557-R639 PolarHBondContact O-N 3.26Å; Q557-L640 PolarHBondContact O-N 3.31Å
558	V	92.8	Very high	89.3	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.7	178.9	-175.5	0	0	0	0	108.9	Q529 L554 L640 I642	Q529-V558 HydrophobicContact CG-CG1 4.4Å; L554-V558 HydrophobicContact CD1-CG2 3.68Å; L554-V558 HydrophobicContact CG-CG2 4.2Å; L554-V558 WeakPolarHBondContact O-CB 3.29Å; L554-V558 PolarHBondContact O-N 2.91Å; V558-L640 WeakPolarHBondContact CA-O 3.06Å; V558-L640 HydrophobicContact CG1-CB 4.49Å; V558-L640 HydrophobicContact CG1-CD2 3.97Å; V558-L640 HydrophobicContact CG1-CG 4.29Å; V558-L640 HydrophobicContact CG2-CB 4.18Å; V558-L640 HydrophobicContact CG2-CD2 4Å; V558-I642 HydrophobicContact CG1-CD1 3.91Å
559	A	93.7	Very high	89.3	Confident	5 Å²	5	50.2 Å²	50.2	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.3	171.8	0	0	0	0	0	110.2	A633 P638 L640 L641 I642	A559-A633 HydrophobicContact CB-CB 3.9Å; A559-P638 HydrophobicContact CB-CB 3.73Å; A559-P638 HydrophobicContact CB-CG 3.71Å; A559-L640 PolarHBondContact N-O 3.35Å; A559-L641 HydrophobicContact CB-CD1 4.32Å; A559-L641 WeakPolarHBondContact O-CA 3.45Å; A559-I642 PolarHBondContact O-N 3.46Å
560	A	93.1	Very high	89.3	Confident	36 Å²	36	55.2 Å²	55.2	30%	0.298	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.6	178.2	0	0	0	0	0	110.9	Q529 I642	Q529-A560 HydrophobicContact CG-CB 3.92Å; A560-I642 CarbonylContact C-O 3.54Å; A560-I642 VanDerWaalsContact CA-O 3.29Å; A560-I642 WeakPolarHBondContact CA-O 3.4Å; A560-I642 HydrophobicContact CB-CB 3.99Å; A560-I642 HydrophobicContact CB-CD1 4.4Å
561	V	93.1	Very high	89.5	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.1	168.1	-171.8	0	0	0	0	106.7	A629 L630 A633 I642 L643 D644 A646	V561-A629 HydrophobicContact CG1-CB 3.9Å; V561-L630 HydrophobicContact CG2-CD1 4.17Å; V561-A633 HydrophobicContact CG2-CB 3.66Å; V561-I642 PolarHBondContact N-O 2.88Å; V561-L643 HydrophobicContact CB-CD2 3.89Å; V561-L643 HydrophobicContact CG2-CD2 3.71Å; V561-D644 PolarHBondContact O-N 3.49Å; V561-A646 HydrophobicContact CB-CB 3.8Å; V561-A646 HydrophobicContact CG1-CB 3.48Å; V561-A646 VanDerWaalsContact CG1-CB 3.48Å
562	G	89.8	Confident	89.8	Confident	34 Å²	34	50.2 Å²	50.2	35%	0.351	27%	0.268	S	S	.	.			trans	-76	166.5	178.9	0	0	0	0	0	112.8	E564 D644	G562-E564 PolarHBondContact O-N 3.45Å; G562-D644 CarbonylContact C-O 3.47Å
563	Q	85.9	Confident	90.1	Very high	99 Å²	99	48 Å²	48	46%	0.463	25%	0.254	S	S	.	.	S	Bend	trans	-58.1	-45.8	178.7	-176.1	176.2	13.8	0	0	112.5	P565 Q626 D644 D645	Q563-P565 VanDerWaalsContact O-CD 3.3Å; Q563-P565 WeakPolarHBondContact O-CD 3.34Å; Q563-Q626 PolarHBondContact O-NE2 2.93Å; Q563-D644 WeakPolarHBondContact CA-O 3.29Å; Q563-D644 PolarHBondContact N-O 2.91Å; Q563-D644 VanDerWaalsContact N-O 3.09Å; Q563-D645 HydrophobicContact CG-CB 4.23Å
564	E	83.7	Confident	90.3	Very high	164 Å²	164	51.2 Å²	51.2	77%	0.766	27%	0.27	S	S	*	.	S	Bend	trans	-113.6	86.4	174.5	-66.9	-174.3	170.2	0	0	110	G562 L566	G562-E564 PolarHBondContact O-N 3.45Å; E564-L566 PolarHBondContact O-N 3.3Å
565	P	83.7	Confident	90.3	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.084	27%	0.27	C	S	.	.			trans	-70.7	122.8	-176.8	24	-29.1	0	0	0	111.3	Q563 R625 Q626 A629	Q563-P565 VanDerWaalsContact O-CD 3.3Å; Q563-P565 WeakPolarHBondContact O-CD 3.34Å; P565-R625 HydrophobicContact CG-CB 4.24Å; P565-Q626 HydrophobicContact CG-CB 4.49Å; P565-Q626 HydrophobicContact CG-CG 3.91Å; P565-A629 HydrophobicContact CB-CB 3.28Å; P565-A629 HydrophobicContact CG-CB 3.88Å
566	L	84.3	Confident	90.5	Very high	116 Å²	116	49.5 Å²	49.5	61%	0.607	26%	0.262	S	S	*	.			trans	-81.8	131.7	173.2	-62.3	171.8	0	0	0	110.4	E564 R632	E564-L566 PolarHBondContact O-N 3.3Å; L566-R632 PolarHBondContact O-NH1 3.43Å; L566-R632 PolarHBondContact O-NH2 3.38Å
567	L	89.3	Confident	90.8	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	25%	0.25	C	S	.	.			trans	-104.4	147.4	170	-52.2	-176.7	0	0	0	109.5	V613 T616 L620 R625 V628	L567-V613 HydrophobicContact CB-CG1 3.86Å; L567-V613 HydrophobicContact CD1-CG1 3.65Å; L567-V613 HydrophobicContact CG-CG1 4.43Å; L567-T616 WeakPolarHBondContact O-CA 3.35Å; L567-L620 HydrophobicContact CD1-CD1 3.58Å; L567-R625 HydrophobicContact CD1-CB 4.34Å; L567-R625 HydrophobicContact CD1-CG 3.96Å; L567-R625 HydrophobicContact CG-CG 4.42Å; L567-V628 HydrophobicContact CD1-CB 4.25Å; L567-V628 HydrophobicContact CD1-CG1 4.36Å; L567-V628 HydrophobicContact CD1-CG2 4.4Å; L567-V628 HydrophobicContact CD2-CB 4.04Å; L567-V628 HydrophobicContact CD2-CG1 3.86Å
568	F	87.8	Confident	90.9	Very high	79 Å²	79	49.5 Å²	49.5	35%	0.346	26%	0.258	S	S	.	.			trans	-85.6	150.9	176.2	-60.7	-77.3	0	0	0	109.6	R570 N575 Y578	F568-R570 HydrophobicContact CB-CG 4.2Å; F568-R570 PolarHBondContact O-N 2.63Å; F568-N575 PolarHBondContact N-OD1 2.9Å; F568-N575 PolarHBondContact O-ND2 3.38Å; F568-Y578 HydrophobicContact CD2-CD1 4.46Å; F568-Y578 AromaticContact CD2-CD2 3.8Å; F568-Y578 HydrophobicContact CD2-CD2 3.8Å; F568-Y578 AromaticContact CD2-CE2 3.86Å; F568-Y578 HydrophobicContact CD2-CE2 3.86Å; F568-Y578 HydrophobicContact CD2-CG 4.11Å; F568-Y578 HydrophobicContact CE1-CE2 4.47Å; F568-Y578 AromaticContact CE2-CD1 3.69Å; F568-Y578 HydrophobicContact CE2-CD1 3.69Å; F568-Y578 AromaticContact CE2-CD2 3.7Å; F568-Y578 HydrophobicContact CE2-CD2 3.7Å; F568-Y578 AromaticContact CE2-CE1 3.49Å; F568-Y578 HydrophobicContact CE2-CE1 3.49Å; F568-Y578 VanDerWaalsContact CE2-CE1 3.49Å; F568-Y578 AromaticContact CE2-CE2 3.5Å; F568-Y578 HydrophobicContact CE2-CE2 3.5Å; F568-Y578 VanDerWaalsContact CE2-CE2 3.5Å; F568-Y578 AromaticContact CE2-CG 3.79Å; F568-Y578 HydrophobicContact CE2-CG 3.79Å; F568-Y578 AromaticContact CE2-CZ 3.39Å; F568-Y578 HydrophobicContact CG-CE2 4.49Å; F568-Y578 HydrophobicContact CZ-CD1 4.43Å; F568-Y578 HydrophobicContact CZ-CD2 4.49Å; F568-Y578 AromaticContact CZ-CE1 3.77Å; F568-Y578 HydrophobicContact CZ-CE1 3.77Å; F568-Y578 AromaticContact CZ-CE2 3.84Å; F568-Y578 HydrophobicContact CZ-CE2 3.84Å; F568-Y578 AromaticContact CZ-CZ 3.43Å; F568-Y578 VanDerWaalsContact CZ-CZ 3.43Å; F568-Y578 WeakPolarHBondContact CZ-OH 3.15Å
569	G	88.6	Confident	90.7	Very high	52 Å²	52	52 Å²	52	54%	0.536	29%	0.285	S	S	.	.	S	Bend	trans	-69.8	67	173.1	0	0	0	0	0	111.9	G614	G569-G614 WeakPolarHBondContact CA-O 3.33Å
570	R	91.2	Very high	90.4	Very high	112 Å²	112	53.9 Å²	53.9	42%	0.423	29%	0.294	S	S	.	.	S	Bend	trans	-141.3	172.3	-175.9	-67.1	-174.4	-172.9	-174.1	-0.1	108.6	F568 E574 N575 V613	F568-R570 HydrophobicContact CB-CG 4.2Å; F568-R570 PolarHBondContact O-N 2.63Å; R570-E574 HydrophobicContact CB-CB 3.91Å; R570-E574 WeakPolarHBondContact CB-OE2 3.38Å; R570-E574 WeakPolarHBondContact CD-OE2 3.28Å; R570-E574 WeakPolarHBondContact CG-OE2 3.37Å; R570-N575 PolarHBondContact O-ND2 2.99Å; R570-N575 VanDerWaalsContact O-ND2 3.12Å; R570-V613 PolarHBondContact O-N 3.44Å
571	S	92.9	Very high	90	Very high	12 Å²	12	59.6 Å²	59.6	8%	0.084	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-61.9	160.6	173.9	67.3	0	0	0	0	112.4	R573 E574 N575 T611	S571-R573 VanDerWaalsContact C-N 3.25Å; S571-R573 PolarHBondContact O-N 3.39Å; S571-E574 PolarHBondContact O-N 3.2Å; S571-E574 WeakPolarHBondContact OG-CG 3.26Å; S571-E574 PolarHBondContact OG-N 2.94Å; S571-N575 WeakPolarHBondContact O-CB 3.47Å; S571-N575 PolarHBondContact O-N 2.9Å; S571-N575 PolarHBondContact O-ND2 3.42Å; S571-T611 VanDerWaalsContact CA-O 3.29Å; S571-T611 WeakPolarHBondContact CA-O 3.28Å
572	F	94.1	Very high	89.8	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-57	-42.2	171.9	-73.5	-69.1	0	0	0	111.6	E574 N575 I576 F601 I602 F605 Y609 T611 V613 L620 V628	F572-E574 VanDerWaalsContact C-N 3.35Å; F572-E574 PolarHBondContact O-N 3.39Å; F572-N575 PolarHBondContact O-N 3.33Å; F572-I576 WeakPolarHBondContact O-CG1 3.46Å; F572-I576 PolarHBondContact O-N 3.24Å; F572-F601 AromaticContact CE1-CE2 3.85Å; F572-F601 HydrophobicContact CE1-CE2 3.85Å; F572-F601 AromaticContact CZ-CE2 3.97Å; F572-F601 HydrophobicContact CZ-CE2 3.97Å; F572-I602 HydrophobicContact CB-CD1 4.23Å; F572-I602 HydrophobicContact CB-CG2 4.31Å; F572-I602 HydrophobicContact CD1-CD1 4.01Å; F572-I602 HydrophobicContact CD1-CG1 3.93Å; F572-I602 HydrophobicContact CD2-CG1 4.2Å; F572-I602 HydrophobicContact CD2-CG2 4.01Å; F572-I602 HydrophobicContact CE1-CG1 4.1Å; F572-I602 HydrophobicContact CE2-CG1 4.36Å; F572-I602 HydrophobicContact CG-CD1 4.13Å; F572-I602 HydrophobicContact CG-CG1 3.98Å; F572-I602 HydrophobicContact CG-CG2 4.22Å; F572-I602 HydrophobicContact CZ-CG1 4.31Å; F572-F605 AromaticContact CE2-CD2 3.8Å; F572-F605 HydrophobicContact CE2-CD2 3.8Å; F572-F605 AromaticContact CE2-CE2 3.98Å; F572-F605 HydrophobicContact CE2-CE2 3.98Å; F572-F605 HydrophobicContact CE2-CG 4.25Å; F572-F605 HydrophobicContact CZ-CD2 4.1Å; F572-F605 AromaticContact CZ-CE2 3.82Å; F572-F605 HydrophobicContact CZ-CE2 3.82Å; F572-F605 HydrophobicContact CZ-CZ 4.35Å; F572-Y609 HydrophobicContact CB-CD1 4.48Å; F572-Y609 WeakPolarHBondContact CB-O 3.32Å; F572-Y609 PolarHBondContact N-O 3.2Å; F572-T611 HydrophobicContact CE2-CG2 4.23Å; F572-T611 PolarHBondContact N-O 2.86Å; F572-T611 VanDerWaalsContact N-O 3.15Å; F572-V613 HydrophobicContact CD1-CG2 3.62Å; F572-V613 HydrophobicContact CD2-CG2 4.42Å; F572-V613 HydrophobicContact CE1-CG2 3.64Å; F572-V613 HydrophobicContact CE2-CG2 4.44Å; F572-V613 HydrophobicContact CG-CG2 4.03Å; F572-V613 HydrophobicContact CZ-CG2 4.07Å; F572-L620 HydrophobicContact CE1-CD1 3.66Å; F572-L620 HydrophobicContact CE1-CD2 4.34Å; F572-L620 HydrophobicContact CZ-CD1 4.05Å; F572-L620 HydrophobicContact CZ-CD2 3.93Å; F572-V628 HydrophobicContact CD1-CG2 3.98Å; F572-V628 HydrophobicContact CE1-CG2 3.97Å
573	R	94.4	Very high	89.8	Confident	98 Å²	98	70 Å²	70	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-53.1	-51.3	176.1	-171.6	-168.5	-58.9	-154.1	-0.3	111.6	S571 I576 A577 I589 Y609 D610	S571-R573 VanDerWaalsContact C-N 3.25Å; S571-R573 PolarHBondContact O-N 3.39Å; R573-I576 PolarHBondContact O-N 3.42Å; R573-A577 WeakPolarHBondContact O-CB 3.4Å; R573-A577 PolarHBondContact O-N 2.98Å; R573-I589 HydrophobicContact CG-CD1 3.55Å; R573-Y609 PolarHBondContact N-O 3.49Å; R573-D610 IonicContact CZ-OD1 3.65Å; R573-D610 IonicContact CZ-OD2 3.46Å; R573-D610 IonicContact NE-OD1 3.62Å; R573-D610 PolarHBondContact NE-OD1 3.16Å; R573-D610 VanDerWaalsContact NH2-CG 3.27Å; R573-D610 IonicContact NH2-OD1 2.69Å; R573-D610 PolarHBondContact NH2-OD1 3.45Å; R573-D610 IonicContact NH2-OD2 3.55Å; R573-D610 PolarHBondContact NH2-OD2 2.94Å
574	E	93.7	Very high	90	Very high	100 Å²	100	66.2 Å²	66.2	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-70.1	-31.8	-179.2	-72.9	178.4	-170.3	0	0	113	R570 S571 F572 Y578	R570-E574 HydrophobicContact CB-CB 3.91Å; R570-E574 WeakPolarHBondContact CB-OE2 3.38Å; R570-E574 WeakPolarHBondContact CD-OE2 3.28Å; R570-E574 WeakPolarHBondContact CG-OE2 3.37Å; S571-E574 PolarHBondContact O-N 3.2Å; S571-E574 WeakPolarHBondContact OG-CG 3.26Å; S571-E574 PolarHBondContact OG-N 2.94Å; F572-E574 VanDerWaalsContact C-N 3.35Å; F572-E574 PolarHBondContact O-N 3.39Å; E574-Y578 PolarHBondContact O-N 3.27Å
575	N	93.8	Very high	90.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-68.1	-40	174.9	-93.4	-78.1	0	0	0	112.5	F568 R570 S571 F572 Y578 V628 R632	F568-N575 PolarHBondContact N-OD1 2.9Å; F568-N575 PolarHBondContact O-ND2 3.38Å; R570-N575 PolarHBondContact O-ND2 2.99Å; R570-N575 VanDerWaalsContact O-ND2 3.12Å; S571-N575 WeakPolarHBondContact O-CB 3.47Å; S571-N575 PolarHBondContact O-N 2.9Å; S571-N575 PolarHBondContact O-ND2 3.42Å; F572-N575 PolarHBondContact O-N 3.33Å; N575-Y578 WeakPolarHBondContact O-CB 3.32Å; N575-V628 HydrophobicContact CB-CG1 4.23Å; N575-R632 WeakPolarHBondContact O-CG 3.37Å; N575-R632 PolarHBondContact O-NE 3.38Å; N575-R632 PolarHBondContact OD1-NH2 2.9Å
576	I	94.9	Very high	91	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-70.5	-44.4	176.3	-63	170.8	0	0	0	109.5	F572 R573 Y578 I589 V592 A593 I602 Y609 V628 A631 I635	F572-I576 WeakPolarHBondContact O-CG1 3.46Å; F572-I576 PolarHBondContact O-N 3.24Å; R573-I576 PolarHBondContact O-N 3.42Å; I576-Y578 PolarHBondContact O-N 3.41Å; I576-Y578 VanDerWaalsContact O-N 3.14Å; I576-I589 HydrophobicContact CB-CG2 4.42Å; I576-I589 HydrophobicContact CD1-CG2 3.89Å; I576-I589 HydrophobicContact CG2-CG2 4.3Å; I576-V592 HydrophobicContact CG2-CG2 3.92Å; I576-A593 HydrophobicContact CD1-CB 4.39Å; I576-I602 HydrophobicContact CD1-CD1 4.26Å; I576-Y609 HydrophobicContact CD1-CD1 4.42Å; I576-Y609 HydrophobicContact CD1-CE1 4.19Å; I576-V628 HydrophobicContact CG1-CG1 4.21Å; I576-A631 HydrophobicContact CD1-CB 4.23Å; I576-A631 HydrophobicContact CG1-CB 4.08Å; I576-A631 HydrophobicContact CG2-CB 4.19Å; I576-I635 HydrophobicContact CG2-CB 4.46Å; I576-I635 HydrophobicContact CG2-CD1 3.81Å; I576-I635 WeakPolarHBondContact O-CG2 3.49Å
577	A	94.1	Very high	91.5	Very high	22 Å²	22	66.7 Å²	66.7	18%	0.182	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	7.5	-179.3	0	0	0	0	0	114.9	R573 G579 L580 P584	R573-A577 WeakPolarHBondContact O-CB 3.4Å; R573-A577 PolarHBondContact O-N 2.98Å; A577-G579 PolarHBondContact O-N 3.44Å; A577-L580 PolarHBondContact O-N 2.85Å; A577-P584 HydrophobicContact CB-CG 3.54Å
578	Y	93.2	Very high	91.7	Very high	85 Å²	85	69.2 Å²	69.2	33%	0.333	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	126.5	-170	-177.5	-97.2	0	0	0	113.5	F568 E574 N575 I576 R636	F568-Y578 HydrophobicContact CD2-CD1 4.46Å; F568-Y578 AromaticContact CD2-CD2 3.8Å; F568-Y578 HydrophobicContact CD2-CD2 3.8Å; F568-Y578 AromaticContact CD2-CE2 3.86Å; F568-Y578 HydrophobicContact CD2-CE2 3.86Å; F568-Y578 HydrophobicContact CD2-CG 4.11Å; F568-Y578 HydrophobicContact CE1-CE2 4.47Å; F568-Y578 AromaticContact CE2-CD1 3.69Å; F568-Y578 HydrophobicContact CE2-CD1 3.69Å; F568-Y578 AromaticContact CE2-CD2 3.7Å; F568-Y578 HydrophobicContact CE2-CD2 3.7Å; F568-Y578 AromaticContact CE2-CE1 3.49Å; F568-Y578 HydrophobicContact CE2-CE1 3.49Å; F568-Y578 VanDerWaalsContact CE2-CE1 3.49Å; F568-Y578 AromaticContact CE2-CE2 3.5Å; F568-Y578 HydrophobicContact CE2-CE2 3.5Å; F568-Y578 VanDerWaalsContact CE2-CE2 3.5Å; F568-Y578 AromaticContact CE2-CG 3.79Å; F568-Y578 HydrophobicContact CE2-CG 3.79Å; F568-Y578 AromaticContact CE2-CZ 3.39Å; F568-Y578 HydrophobicContact CG-CE2 4.49Å; F568-Y578 HydrophobicContact CZ-CD1 4.43Å; F568-Y578 HydrophobicContact CZ-CD2 4.49Å; F568-Y578 AromaticContact CZ-CE1 3.77Å; F568-Y578 HydrophobicContact CZ-CE1 3.77Å; F568-Y578 AromaticContact CZ-CE2 3.84Å; F568-Y578 HydrophobicContact CZ-CE2 3.84Å; F568-Y578 AromaticContact CZ-CZ 3.43Å; F568-Y578 VanDerWaalsContact CZ-CZ 3.43Å; F568-Y578 WeakPolarHBondContact CZ-OH 3.15Å; E574-Y578 PolarHBondContact O-N 3.27Å; N575-Y578 WeakPolarHBondContact O-CB 3.32Å; I576-Y578 PolarHBondContact O-N 3.41Å; I576-Y578 VanDerWaalsContact O-N 3.14Å; Y578-R636 PolarHBondContact O-NH2 3.34Å
579	G	88.5	Confident	92	Very high	56 Å²	56	65.7 Å²	65.7	58%	0.577	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	12.9	174.8	0	0	0	0	0	115	A577	A577-G579 PolarHBondContact O-N 3.44Å
580	L	88.9	Confident	92.3	Very high	45 Å²	45	64.4 Å²	64.4	24%	0.236	34%	0.335	C	S	.	.			trans	-86.5	135.8	171.1	-64.5	173.8	0	0	0	110.7	A577 R582 P584 I635 R636	A577-L580 PolarHBondContact O-N 2.85Å; L580-R582 VanDerWaalsContact C-N 3.32Å; L580-R582 VanDerWaalsContact CB-O 3.31Å; L580-R582 WeakPolarHBondContact CB-O 3.4Å; L580-P584 HydrophobicContact CD1-CB 4.34Å; L580-P584 HydrophobicContact CD1-CG 3.93Å; L580-I635 HydrophobicContact CD1-CD1 4.14Å; L580-I635 HydrophobicContact CD1-CG1 4.12Å; L580-I635 HydrophobicContact CD1-CG2 4.07Å; L580-R636 HydrophobicContact CD2-CG 3.95Å
581	T	84.4	Confident	92.4	Very high	156 Å²	156	61 Å²	61	96%	0.957	33%	0.331	S	S	*	.	S	Bend	trans	-70.5	-31.3	173.3	-43.3	0	0	0	0	111.9
582	R	88.3	Confident	92.4	Very high	120 Å²	120	61 Å²	61	45%	0.453	33%	0.33	S	S	.	.	S	Bend	trans	-95	140.9	174.1	74.7	-175.5	-178.4	93.1	9.7	109.9	L580 P584 E588	L580-R582 VanDerWaalsContact C-N 3.32Å; L580-R582 VanDerWaalsContact CB-O 3.31Å; L580-R582 WeakPolarHBondContact CB-O 3.4Å; R582-P584 VanDerWaalsContact O-CD 3.29Å; R582-P584 WeakPolarHBondContact O-CD 3.38Å; R582-E588 IonicContact CZ-OE1 2.74Å; R582-E588 IonicContact CZ-OE2 3.24Å; R582-E588 IonicContact NH1-OE1 3.57Å; R582-E588 PolarHBondContact NH1-OE1 3.34Å; R582-E588 IonicContact NH1-OE2 2.73Å; R582-E588 PolarHBondContact NH1-OE2 2.85Å; R582-E588 IonicContact NH2-OE1 3.76Å; R582-E588 IonicContact NH2-OE2 3.69Å; R582-E588 PolarHBondContact NH2-OE2 3.41Å
583	T	89.7	Confident	92.3	Very high	136 Å²	136	61 Å²	61	83%	0.834	33%	0.33	S	S	*	.			trans	-74	113.9	168	49.2	0	0	0	0	109.1
584	P	91.2	Very high	92.1	Very high	19 Å²	19	60.8 Å²	60.8	12%	0.123	34%	0.335	C	S	.	.			trans	-67.7	150.5	179.2	28.2	-33.2	0	0	0	111	A577 L580 R582 E588 I589 I635	A577-P584 HydrophobicContact CB-CG 3.54Å; L580-P584 HydrophobicContact CD1-CB 4.34Å; L580-P584 HydrophobicContact CD1-CG 3.93Å; R582-P584 VanDerWaalsContact O-CD 3.29Å; R582-P584 WeakPolarHBondContact O-CD 3.38Å; P584-E588 HydrophobicContact CB-CB 4.44Å; P584-E588 WeakPolarHBondContact CB-OE2 3.43Å; P584-I589 HydrophobicContact CB-CG1 4.18Å; P584-I589 HydrophobicContact CG-CD1 4.03Å; P584-I589 HydrophobicContact CG-CG1 3.94Å; P584-I635 HydrophobicContact CB-CD1 3.79Å; P584-I635 HydrophobicContact CG-CD1 3.77Å
585	T	94.5	Very high	91.8	Very high	72 Å²	72	59.1 Å²	59.1	44%	0.442	33%	0.327	S	S	.	.			trans	-71.8	156.7	175.1	62.3	0	0	0	0	110.3	E587 E588 I589	T585-E587 PolarHBondContact O-N 3.48Å; T585-E588 PolarHBondContact O-N 3.16Å; T585-E588 VanDerWaalsContact O-N 3.14Å; T585-E588 WeakPolarHBondContact OG1-CG 3.46Å; T585-E588 PolarHBondContact OG1-N 3.03Å; T585-I589 WeakPolarHBondContact O-CG1 3.48Å; T585-I589 PolarHBondContact O-N 3.44Å; T585-I589 VanDerWaalsContact O-N 3.1Å
586	M	93.6	Very high	91.5	Very high	69 Å²	69	59.1 Å²	59.1	34%	0.34	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-31.9	178.6	-167.5	60.1	-158.1	0	0	112.2	I589 T590 Y609	M586-I589 PolarHBondContact O-N 3.02Å; M586-T590 WeakPolarHBondContact O-CB 3.43Å; M586-T590 PolarHBondContact O-N 2.99Å; M586-T590 PolarHBondContact O-OG1 3.05Å; M586-Y609 HydrophobicContact CE-CD1 3.93Å; M586-Y609 HydrophobicContact CE-CD2 3.12Å; M586-Y609 HydrophobicContact CE-CE1 4.27Å; M586-Y609 HydrophobicContact CE-CE2 3.49Å; M586-Y609 VanDerWaalsContact CE-CE2 3.49Å; M586-Y609 HydrophobicContact CE-CG 3.35Å
587	E	94.5	Very high	91.2	Very high	161 Å²	161	59.1 Å²	59.1	75%	0.752	33%	0.327	S	S	*	.	H	α-helix	trans	-62.3	-45.5	174.4	-65.4	175.6	-179.2	0	0	111.6	T585 T590 A591	T585-E587 PolarHBondContact O-N 3.48Å; E587-T590 PolarHBondContact O-N 3.11Å; E587-A591 WeakPolarHBondContact O-CB 3.35Å; E587-A591 PolarHBondContact O-N 2.9Å
588	E	93.4	Very high	91.1	Very high	59 Å²	59	58.1 Å²	58.1	28%	0.276	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-44.4	176.2	-73.8	176.9	-172.9	0	0	111.8	R582 P584 T585 T590 A591 V592	R582-E588 IonicContact CZ-OE1 2.74Å; R582-E588 IonicContact CZ-OE2 3.24Å; R582-E588 IonicContact NH1-OE1 3.57Å; R582-E588 PolarHBondContact NH1-OE1 3.34Å; R582-E588 IonicContact NH1-OE2 2.73Å; R582-E588 PolarHBondContact NH1-OE2 2.85Å; R582-E588 IonicContact NH2-OE1 3.76Å; R582-E588 IonicContact NH2-OE2 3.69Å; R582-E588 PolarHBondContact NH2-OE2 3.41Å; P584-E588 HydrophobicContact CB-CB 4.44Å; P584-E588 WeakPolarHBondContact CB-OE2 3.43Å; T585-E588 PolarHBondContact O-N 3.16Å; T585-E588 VanDerWaalsContact O-N 3.14Å; T585-E588 WeakPolarHBondContact OG1-CG 3.46Å; T585-E588 PolarHBondContact OG1-N 3.03Å; E588-T590 VanDerWaalsContact C-N 3.31Å; E588-T590 PolarHBondContact O-N 3.41Å; E588-A591 PolarHBondContact O-N 2.79Å; E588-V592 WeakPolarHBondContact O-CG2 3.29Å; E588-V592 PolarHBondContact O-N 2.99Å; E588-V592 VanDerWaalsContact O-N 3.15Å
589	I	94.8	Very high	91	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-43.4	177.4	-65.3	176.5	0	0	0	110.4	R573 I576 P584 T585 M586 V592 A593 Y609 I635	R573-I589 HydrophobicContact CG-CD1 3.55Å; I576-I589 HydrophobicContact CB-CG2 4.42Å; I576-I589 HydrophobicContact CD1-CG2 3.89Å; I576-I589 HydrophobicContact CG2-CG2 4.3Å; P584-I589 HydrophobicContact CB-CG1 4.18Å; P584-I589 HydrophobicContact CG-CD1 4.03Å; P584-I589 HydrophobicContact CG-CG1 3.94Å; T585-I589 WeakPolarHBondContact O-CG1 3.48Å; T585-I589 PolarHBondContact O-N 3.44Å; T585-I589 VanDerWaalsContact O-N 3.1Å; M586-I589 PolarHBondContact O-N 3.02Å; I589-V592 VanDerWaalsContact O-CG2 3.24Å; I589-V592 WeakPolarHBondContact O-CG2 3.26Å; I589-A593 VanDerWaalsContact O-CB 3.24Å; I589-A593 WeakPolarHBondContact O-CB 3.44Å; I589-A593 PolarHBondContact O-N 3.4Å; I589-Y609 HydrophobicContact CG2-CD1 3.96Å; I589-Y609 HydrophobicContact CG2-CE1 3.84Å; I589-I635 HydrophobicContact CG1-CD1 4Å
590	T	95	Very high	91.1	Very high	25 Å²	25	57.6 Å²	57.6	15%	0.153	31%	0.306	C	S	.	.	H	α-helix	trans	-69.8	-39.4	-178.3	-49.5	0	0	0	0	111	M586 E587 E588 A593 M594 Y609	M586-T590 WeakPolarHBondContact O-CB 3.43Å; M586-T590 PolarHBondContact O-N 2.99Å; M586-T590 PolarHBondContact O-OG1 3.05Å; E587-T590 PolarHBondContact O-N 3.11Å; E588-T590 VanDerWaalsContact C-N 3.31Å; E588-T590 PolarHBondContact O-N 3.41Å; T590-A593 PolarHBondContact O-N 3.2Å; T590-M594 HydrophobicContact CG2-CE 3.4Å; T590-M594 VanDerWaalsContact CG2-CE 3.4Å; T590-M594 WeakPolarHBondContact O-CG 3.29Å; T590-M594 PolarHBondContact O-N 3.49Å; T590-Y609 WeakPolarHBondContact CA-OH 3.22Å; T590-Y609 WeakPolarHBondContact CG2-OH 3.37Å
591	A	92.4	Very high	91.1	Very high	42 Å²	42	56.9 Å²	56.9	35%	0.347	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-50.4	176.4	0	0	0	0	0	111.8	E587 E588 A593 M594 E595	E587-A591 WeakPolarHBondContact O-CB 3.35Å; E587-A591 PolarHBondContact O-N 2.9Å; E588-A591 PolarHBondContact O-N 2.79Å; A591-A593 VanDerWaalsContact C-N 3.32Å; A591-A593 PolarHBondContact O-N 3.37Å; A591-M594 WeakPolarHBondContact O-CB 3.5Å; A591-M594 PolarHBondContact O-N 3.41Å; A591-E595 WeakPolarHBondContact O-CG 3.5Å; A591-E595 PolarHBondContact O-N 2.87Å
592	V	92.1	Very high	91.6	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-29.6	179.2	-60.2	0	0	0	0	112.9	I576 E588 I589 E595 S596 A631 L634 I635	I576-V592 HydrophobicContact CG2-CG2 3.92Å; E588-V592 WeakPolarHBondContact O-CG2 3.29Å; E588-V592 PolarHBondContact O-N 2.99Å; E588-V592 VanDerWaalsContact O-N 3.15Å; I589-V592 VanDerWaalsContact O-CG2 3.24Å; I589-V592 WeakPolarHBondContact O-CG2 3.26Å; V592-E595 PolarHBondContact O-N 3.44Å; V592-S596 WeakPolarHBondContact O-CB 3.27Å; V592-S596 PolarHBondContact O-N 3.24Å; V592-S596 PolarHBondContact O-OG 3.13Å; V592-A631 HydrophobicContact CG2-CB 4.38Å; V592-L634 HydrophobicContact CB-CB 4.28Å; V592-L634 HydrophobicContact CG1-CB 4.27Å; V592-I635 HydrophobicContact CG1-CB 4.27Å; V592-I635 HydrophobicContact CG2-CB 4.12Å; V592-I635 HydrophobicContact CG2-CD1 4.29Å; V592-I635 HydrophobicContact CG2-CG1 4.35Å
593	A	93	Very high	91.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-35.9	173	0	0	0	0	0	111.4	I576 I589 T590 A591 S596 G597 A598 H599 Y609	I576-A593 HydrophobicContact CD1-CB 4.39Å; I589-A593 VanDerWaalsContact O-CB 3.24Å; I589-A593 WeakPolarHBondContact O-CB 3.44Å; I589-A593 PolarHBondContact O-N 3.4Å; T590-A593 PolarHBondContact O-N 3.2Å; A591-A593 VanDerWaalsContact C-N 3.32Å; A591-A593 PolarHBondContact O-N 3.37Å; A593-S596 WeakPolarHBondContact CA-OG 3.25Å; A593-S596 PolarHBondContact O-OG 3.47Å; A593-G597 CarbonylContact O-C 3.54Å; A593-G597 PolarHBondContact O-N 3.31Å; A593-A598 HydrophobicContact CB-CB 4.32Å; A593-A598 PolarHBondContact O-N 3.43Å; A593-H599 HydrophobicContact CB-CB 4.12Å; A593-H599 PolarHBondContact O-N 2.87Å; A593-Y609 HydrophobicContact CB-CE1 3.97Å; A593-Y609 WeakPolarHBondContact CB-OH 3.44Å
594	M	90.9	Very high	91.8	Very high	95 Å²	95	43.7 Å²	43.7	47%	0.468	25%	0.25	S	C	.	.	H	α-helix	trans	-67.7	-44.9	173	-72.8	-175.3	-118.6	0	0	111.5	T590 A591 S596 G597 H599	T590-M594 HydrophobicContact CG2-CE 3.4Å; T590-M594 VanDerWaalsContact CG2-CE 3.4Å; T590-M594 WeakPolarHBondContact O-CG 3.29Å; T590-M594 PolarHBondContact O-N 3.49Å; A591-M594 WeakPolarHBondContact O-CB 3.5Å; A591-M594 PolarHBondContact O-N 3.41Å; M594-S596 VanDerWaalsContact C-N 3.33Å; M594-S596 PolarHBondContact O-N 3.3Å; M594-G597 PolarHBondContact O-N 3.14Å; M594-H599 HydrophobicContact CB-CB 4.43Å; M594-H599 HydrophobicContact CG-CB 3.76Å
595	E	86.5	Confident	91.8	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-38.8	179.2	-73.2	176.2	-165.4	0	0	113	A591 V592 L634 L661	A591-E595 WeakPolarHBondContact O-CG 3.5Å; A591-E595 PolarHBondContact O-N 2.87Å; V592-E595 PolarHBondContact O-N 3.44Å; E595-L634 HydrophobicContact CB-CD1 4.1Å; E595-L661 HydrophobicContact CB-CD1 4.31Å; E595-L661 HydrophobicContact CB-CD2 4.43Å; E595-L661 HydrophobicContact CG-CD1 4.3Å
596	S	88.1	Confident	91.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.5	178.2	56.1	0	0	0	0	114.4	V592 A593 M594 A598 A627 A631	V592-S596 WeakPolarHBondContact O-CB 3.27Å; V592-S596 PolarHBondContact O-N 3.24Å; V592-S596 PolarHBondContact O-OG 3.13Å; A593-S596 WeakPolarHBondContact CA-OG 3.25Å; A593-S596 PolarHBondContact O-OG 3.47Å; M594-S596 VanDerWaalsContact C-N 3.33Å; M594-S596 PolarHBondContact O-N 3.3Å; S596-A598 VanDerWaalsContact C-N 3.3Å; S596-A627 WeakPolarHBondContact CB-O 3.29Å; S596-A627 PolarHBondContact OG-O 3.26Å; S596-A631 WeakPolarHBondContact OG-CB 3.36Å
597	G	87.7	Confident	91.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	5.9	-172.9	0	0	0	0	0	114.7	A593 M594 N654	A593-G597 CarbonylContact O-C 3.54Å; A593-G597 PolarHBondContact O-N 3.31Å; M594-G597 PolarHBondContact O-N 3.14Å; G597-N654 VanDerWaalsContact CA-OD1 3.31Å; G597-N654 WeakPolarHBondContact CA-OD1 3.45Å
598	A	91.2	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.261	C	S	.	.			trans	-75	-27.8	179.9	0	0	0	0	0	114	A593 S596 D600 F601 I602 A627	A593-A598 HydrophobicContact CB-CB 4.32Å; A593-A598 PolarHBondContact O-N 3.43Å; S596-A598 VanDerWaalsContact C-N 3.3Å; A598-D600 VanDerWaalsContact C-N 3.31Å; A598-D600 PolarHBondContact O-N 3.48Å; A598-F601 VanDerWaalsContact CA-CE1 3.42Å; A598-F601 HydrophobicContact CB-CE1 3.87Å; A598-F601 HydrophobicContact CB-CZ 4.17Å; A598-F601 WeakPolarHBondContact O-CD1 3.26Å; A598-F601 PolarHBondContact O-N 2.85Å; A598-I602 HydrophobicContact CB-CD1 3.78Å; A598-I602 WeakPolarHBondContact O-CB 3.42Å; A598-I602 WeakPolarHBondContact O-CD1 3.23Å; A598-I602 WeakPolarHBondContact O-CG1 3.5Å; A598-I602 PolarHBondContact O-N 2.86Å; A598-A627 HydrophobicContact CB-CB 4.06Å
599	H	93.2	Very high	91.3	Very high	49 Å²	49	42.7 Å²	42.7	23%	0.227	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-41.6	-175.7	-177.9	58.9	0	0	0	113.2	A593 M594 F601 I602 S603 Y609	A593-H599 HydrophobicContact CB-CB 4.12Å; A593-H599 PolarHBondContact O-N 2.87Å; M594-H599 HydrophobicContact CB-CB 4.43Å; M594-H599 HydrophobicContact CG-CB 3.76Å; H599-F601 VanDerWaalsContact C-N 3.32Å; H599-F601 PolarHBondContact O-N 3.26Å; H599-I602 PolarHBondContact O-N 2.9Å; H599-S603 VanDerWaalsContact O-CB 3.31Å; H599-S603 WeakPolarHBondContact O-CB 3.42Å; H599-S603 PolarHBondContact O-N 3.35Å; H599-S603 PolarHBondContact O-OG 2.83Å; H599-Y609 AromaticContact ND1-CE2 3.97Å; H599-Y609 AromaticContact ND1-CZ 3.79Å; H599-Y609 PolarHBondContact ND1-OH 3.47Å
600	D	89.1	Confident	91.2	Very high	81 Å²	81	46.1 Å²	46.1	43%	0.433	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-37.5	-172	-61.7	-1.3	0	0	0	111.8	A598 S603 R657	A598-D600 VanDerWaalsContact C-N 3.31Å; A598-D600 PolarHBondContact O-N 3.48Å; D600-S603 PolarHBondContact O-OG 2.85Å; D600-R657 IonicContact OD1-NH1 3.9Å; D600-R657 IonicContact OD2-CZ 3.84Å; D600-R657 VanDerWaalsContact OD2-CZ 3.24Å; D600-R657 IonicContact OD2-NH1 2.79Å; D600-R657 PolarHBondContact OD2-NH1 2.98Å; D600-R657 IonicContact OD2-NH2 2.9Å; D600-R657 PolarHBondContact OD2-NH2 3.2Å
601	F	90.2	Very high	91.1	Very high	30 Å²	30	45.8 Å²	45.8	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-90.1	-33.8	176.4	77	-101	0	0	0	112.8	F572 A598 H599 S603 G604 F605 Q624 A627 V628	F572-F601 AromaticContact CE1-CE2 3.85Å; F572-F601 HydrophobicContact CE1-CE2 3.85Å; F572-F601 AromaticContact CZ-CE2 3.97Å; F572-F601 HydrophobicContact CZ-CE2 3.97Å; A598-F601 VanDerWaalsContact CA-CE1 3.42Å; A598-F601 HydrophobicContact CB-CE1 3.87Å; A598-F601 HydrophobicContact CB-CZ 4.17Å; A598-F601 WeakPolarHBondContact O-CD1 3.26Å; A598-F601 PolarHBondContact O-N 2.85Å; H599-F601 VanDerWaalsContact C-N 3.32Å; H599-F601 PolarHBondContact O-N 3.26Å; F601-S603 VanDerWaalsContact C-N 3.29Å; F601-S603 PolarHBondContact O-N 3.45Å; F601-G604 PolarHBondContact O-N 2.82Å; F601-G604 VanDerWaalsContact O-N 3.1Å; F601-F605 AromaticContact CD2-CE2 3.97Å; F601-F605 HydrophobicContact CD2-CE2 3.97Å; F601-F605 HydrophobicContact CE2-CE2 4.49Å; F601-F605 WeakPolarHBondContact O-CD2 3.48Å; F601-Q624 HydrophobicContact CD1-CG 3.93Å; F601-Q624 HydrophobicContact CD2-CG 4.07Å; F601-Q624 HydrophobicContact CE1-CB 4.05Å; F601-Q624 HydrophobicContact CE1-CG 3.95Å; F601-Q624 HydrophobicContact CE2-CB 4.13Å; F601-Q624 HydrophobicContact CE2-CG 4.15Å; F601-Q624 HydrophobicContact CG-CG 3.97Å; F601-Q624 HydrophobicContact CZ-CB 3.86Å; F601-Q624 HydrophobicContact CZ-CG 4.09Å; F601-A627 HydrophobicContact CE1-CB 4.01Å; F601-V628 HydrophobicContact CE2-CG2 4.38Å; F601-V628 HydrophobicContact CZ-CG2 3.68Å
602	I	93.5	Very high	91.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-42.2	178.9	-69.8	169.6	0	0	0	109.9	F572 I576 A598 H599 G604 F605 G608 Y609	F572-I602 HydrophobicContact CB-CD1 4.23Å; F572-I602 HydrophobicContact CB-CG2 4.31Å; F572-I602 HydrophobicContact CD1-CD1 4.01Å; F572-I602 HydrophobicContact CD1-CG1 3.93Å; F572-I602 HydrophobicContact CD2-CG1 4.2Å; F572-I602 HydrophobicContact CD2-CG2 4.01Å; F572-I602 HydrophobicContact CE1-CG1 4.1Å; F572-I602 HydrophobicContact CE2-CG1 4.36Å; F572-I602 HydrophobicContact CG-CD1 4.13Å; F572-I602 HydrophobicContact CG-CG1 3.98Å; F572-I602 HydrophobicContact CG-CG2 4.22Å; F572-I602 HydrophobicContact CZ-CG1 4.31Å; I576-I602 HydrophobicContact CD1-CD1 4.26Å; A598-I602 HydrophobicContact CB-CD1 3.78Å; A598-I602 WeakPolarHBondContact O-CB 3.42Å; A598-I602 WeakPolarHBondContact O-CD1 3.23Å; A598-I602 WeakPolarHBondContact O-CG1 3.5Å; A598-I602 PolarHBondContact O-N 2.86Å; H599-I602 PolarHBondContact O-N 2.9Å; I602-G604 PolarHBondContact O-N 3.24Å; I602-F605 PolarHBondContact O-N 2.93Å; I602-G608 WeakPolarHBondContact O-CA 3.44Å; I602-Y609 HydrophobicContact CD1-CD1 4.41Å; I602-Y609 HydrophobicContact CD1-CE1 4.1Å; I602-Y609 HydrophobicContact CG2-CD1 3.66Å; I602-Y609 HydrophobicContact CG2-CD2 3.96Å; I602-Y609 HydrophobicContact CG2-CE1 3.88Å; I602-Y609 HydrophobicContact CG2-CE2 4.2Å; I602-Y609 HydrophobicContact CG2-CG 3.7Å
603	S	91.7	Very high	90.8	Very high	69 Å²	69	50.1 Å²	50.1	48%	0.483	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22	176.8	57.1	0	0	0	0	113.7	H599 D600 F601 F605	H599-S603 VanDerWaalsContact O-CB 3.31Å; H599-S603 WeakPolarHBondContact O-CB 3.42Å; H599-S603 PolarHBondContact O-N 3.35Å; H599-S603 PolarHBondContact O-OG 2.83Å; D600-S603 PolarHBondContact O-OG 2.85Å; F601-S603 VanDerWaalsContact C-N 3.29Å; F601-S603 PolarHBondContact O-N 3.45Å; S603-F605 VanDerWaalsContact C-N 3.34Å
604	G	90.4	Very high	90.3	Very high	66 Å²	66	51.1 Å²	51.1	68%	0.68	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.5	175.9	0	0	0	0	0	114.5	F601 I602	F601-G604 PolarHBondContact O-N 2.82Å; F601-G604 VanDerWaalsContact O-N 3.1Å; I602-G604 PolarHBondContact O-N 3.24Å
605	F	91	Very high	89.6	Confident	61 Å²	61	54.7 Å²	54.7	27%	0.268	31%	0.306	S	S	.	.	S	Bend	trans	-77	148.1	176.4	-78.9	-86.9	0	0	0	111.9	F572 F601 I602 S603 Q607 G608 T611 L620	F572-F605 AromaticContact CE2-CD2 3.8Å; F572-F605 HydrophobicContact CE2-CD2 3.8Å; F572-F605 AromaticContact CE2-CE2 3.98Å; F572-F605 HydrophobicContact CE2-CE2 3.98Å; F572-F605 HydrophobicContact CE2-CG 4.25Å; F572-F605 HydrophobicContact CZ-CD2 4.1Å; F572-F605 AromaticContact CZ-CE2 3.82Å; F572-F605 HydrophobicContact CZ-CE2 3.82Å; F572-F605 HydrophobicContact CZ-CZ 4.35Å; F601-F605 AromaticContact CD2-CE2 3.97Å; F601-F605 HydrophobicContact CD2-CE2 3.97Å; F601-F605 HydrophobicContact CE2-CE2 4.49Å; F601-F605 WeakPolarHBondContact O-CD2 3.48Å; I602-F605 PolarHBondContact O-N 2.93Å; S603-F605 VanDerWaalsContact C-N 3.34Å; F605-Q607 PolarHBondContact O-N 3.39Å; F605-Q607 VanDerWaalsContact O-N 3.11Å; F605-G608 PolarHBondContact O-N 3.44Å; F605-T611 HydrophobicContact CB-CG2 4.14Å; F605-T611 VanDerWaalsContact CB-OG1 3.29Å; F605-T611 WeakPolarHBondContact CB-OG1 3.24Å; F605-T611 HydrophobicContact CD1-CG2 3.78Å; F605-T611 HydrophobicContact CE1-CG2 4.44Å; F605-T611 HydrophobicContact CG-CG2 4.09Å; F605-L620 HydrophobicContact CE2-CD2 4.14Å; F605-L620 HydrophobicContact CZ-CD2 3.79Å
606	P	87.9	Confident	88.9	Confident	134 Å²	134	54.7 Å²	54.7	87%	0.87	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.4	-176	-26.8	34.5	0	0	0	115.4
607	Q	91.5	Very high	88.1	Confident	129 Å²	129	54.7 Å²	54.7	60%	0.603	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	10	178.7	-64.9	176.9	-13.4	0	0	112.2	F605 Y609 D610	F605-Q607 PolarHBondContact O-N 3.39Å; F605-Q607 VanDerWaalsContact O-N 3.11Å; Q607-Y609 PolarHBondContact O-N 2.9Å; Q607-D610 HydrophobicContact CB-CB 4.45Å; Q607-D610 PolarHBondContact O-N 3.06Å
608	G	92.8	Very high	87.5	Confident	15 Å²	15	60.4 Å²	60.4	16%	0.155	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	51.8	-123.4	-176.3	0	0	0	0	0	111.7	I602 F605 D610 T611	I602-G608 WeakPolarHBondContact O-CA 3.44Å; F605-G608 PolarHBondContact O-N 3.44Å; G608-D610 VanDerWaalsContact C-N 3.25Å; G608-D610 PolarHBondContact O-N 3.04Å; G608-T611 WeakPolarHBondContact O-CB 2.94Å; G608-T611 PolarHBondContact O-N 2.75Å; G608-T611 PolarHBondContact O-OG1 3.4Å
609	Y	93.9	Very high	86.9	Confident	21 Å²	21	67.1 Å²	67.1	8%	0.082	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-69.5	-16.5	-179.8	-72.1	-91.3	0	0	0	115.4	F572 R573 I576 M586 I589 T590 A593 H599 I602 Q607 T611	F572-Y609 HydrophobicContact CB-CD1 4.48Å; F572-Y609 WeakPolarHBondContact CB-O 3.32Å; F572-Y609 PolarHBondContact N-O 3.2Å; R573-Y609 PolarHBondContact N-O 3.49Å; I576-Y609 HydrophobicContact CD1-CD1 4.42Å; I576-Y609 HydrophobicContact CD1-CE1 4.19Å; M586-Y609 HydrophobicContact CE-CD1 3.93Å; M586-Y609 HydrophobicContact CE-CD2 3.12Å; M586-Y609 HydrophobicContact CE-CE1 4.27Å; M586-Y609 HydrophobicContact CE-CE2 3.49Å; M586-Y609 VanDerWaalsContact CE-CE2 3.49Å; M586-Y609 HydrophobicContact CE-CG 3.35Å; I589-Y609 HydrophobicContact CG2-CD1 3.96Å; I589-Y609 HydrophobicContact CG2-CE1 3.84Å; T590-Y609 WeakPolarHBondContact CA-OH 3.22Å; T590-Y609 WeakPolarHBondContact CG2-OH 3.37Å; A593-Y609 HydrophobicContact CB-CE1 3.97Å; A593-Y609 WeakPolarHBondContact CB-OH 3.44Å; H599-Y609 AromaticContact ND1-CE2 3.97Å; H599-Y609 AromaticContact ND1-CZ 3.79Å; H599-Y609 PolarHBondContact ND1-OH 3.47Å; I602-Y609 HydrophobicContact CD1-CD1 4.41Å; I602-Y609 HydrophobicContact CD1-CE1 4.1Å; I602-Y609 HydrophobicContact CG2-CD1 3.66Å; I602-Y609 HydrophobicContact CG2-CD2 3.96Å; I602-Y609 HydrophobicContact CG2-CE1 3.88Å; I602-Y609 HydrophobicContact CG2-CE2 4.2Å; I602-Y609 HydrophobicContact CG2-CG 3.7Å; Q607-Y609 PolarHBondContact O-N 2.9Å; Y609-T611 VanDerWaalsContact C-N 3.3Å
610	D	94	Very high	86.5	Confident	76 Å²	76	65.4 Å²	65.4	41%	0.406	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-88.9	-3.1	179.9	-62.2	-31.7	0	0	0	112.1	R573 Q607 G608 E612	R573-D610 IonicContact CZ-OD1 3.65Å; R573-D610 IonicContact CZ-OD2 3.46Å; R573-D610 IonicContact NE-OD1 3.62Å; R573-D610 PolarHBondContact NE-OD1 3.16Å; R573-D610 VanDerWaalsContact NH2-CG 3.27Å; R573-D610 IonicContact NH2-OD1 2.69Å; R573-D610 PolarHBondContact NH2-OD1 3.45Å; R573-D610 IonicContact NH2-OD2 3.55Å; R573-D610 PolarHBondContact NH2-OD2 2.94Å; Q607-D610 HydrophobicContact CB-CB 4.45Å; Q607-D610 PolarHBondContact O-N 3.06Å; G608-D610 VanDerWaalsContact C-N 3.25Å; G608-D610 PolarHBondContact O-N 3.04Å; D610-E612 PolarHBondContact O-N 3.49Å
611	T	92.3	Very high	86.5	Confident	18 Å²	18	64.6 Å²	64.6	11%	0.11	37%	0.366	C	S	.	.			trans	-62	126.1	174.2	-48.4	0	0	0	0	111	S571 F572 F605 G608 Y609	S571-T611 VanDerWaalsContact CA-O 3.29Å; S571-T611 WeakPolarHBondContact CA-O 3.28Å; F572-T611 HydrophobicContact CE2-CG2 4.23Å; F572-T611 PolarHBondContact N-O 2.86Å; F572-T611 VanDerWaalsContact N-O 3.15Å; F605-T611 HydrophobicContact CB-CG2 4.14Å; F605-T611 VanDerWaalsContact CB-OG1 3.29Å; F605-T611 WeakPolarHBondContact CB-OG1 3.24Å; F605-T611 HydrophobicContact CD1-CG2 3.78Å; F605-T611 HydrophobicContact CE1-CG2 4.44Å; F605-T611 HydrophobicContact CG-CG2 4.09Å; G608-T611 WeakPolarHBondContact O-CB 2.94Å; G608-T611 PolarHBondContact O-N 2.75Å; G608-T611 PolarHBondContact O-OG1 3.4Å; Y609-T611 VanDerWaalsContact C-N 3.3Å
612	E	91.1	Very high	86.3	Confident	142 Å²	142	64.6 Å²	64.6	66%	0.664	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-72.8	130.9	174.4	-66	-174.1	175.8	0	0	111.7	D610 G614	D610-E612 PolarHBondContact O-N 3.49Å; E612-G614 VanDerWaalsContact C-N 3.32Å; E612-G614 PolarHBondContact O-N 2.93Å
613	V	87.4	Confident	85.9	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	38%	0.378	C	S	.	.			trans	-79.2	-15	-173.1	172.7	0	0	0	0	113.2	L567 R570 F572 G617 L620	L567-V613 HydrophobicContact CB-CG1 3.86Å; L567-V613 HydrophobicContact CD1-CG1 3.65Å; L567-V613 HydrophobicContact CG-CG1 4.43Å; R570-V613 PolarHBondContact O-N 3.44Å; F572-V613 HydrophobicContact CD1-CG2 3.62Å; F572-V613 HydrophobicContact CD2-CG2 4.42Å; F572-V613 HydrophobicContact CE1-CG2 3.64Å; F572-V613 HydrophobicContact CE2-CG2 4.44Å; F572-V613 HydrophobicContact CG-CG2 4.03Å; F572-V613 HydrophobicContact CZ-CG2 4.07Å; V613-G617 VanDerWaalsContact CG1-CA 3.48Å; V613-L620 HydrophobicContact CG1-CD1 3.73Å; V613-L620 HydrophobicContact CG1-CG 4.42Å; V613-L620 HydrophobicContact CG2-CD1 4.49Å
614	G	81.5	Confident	85.8	Confident	20 Å²	20	64.2 Å²	64.2	21%	0.206	37%	0.367	C	S	.	.			trans	76.6	173.7	-175.2	0	0	0	0	0	114.2	G569 E612 T616 G617	G569-G614 WeakPolarHBondContact CA-O 3.33Å; E612-G614 VanDerWaalsContact C-N 3.32Å; E612-G614 PolarHBondContact O-N 2.93Å; G614-T616 PolarHBondContact O-N 3.39Å; G614-G617 PolarHBondContact O-N 3.42Å
615	E	77.4	Confident	85.8	Confident	171 Å²	171	64.3 Å²	64.3	80%	0.799	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-58.7	126.9	179.7	-64.7	-175.3	171.6	0	0	111	G617 N618	E615-G617 PolarHBondContact O-N 3.48Å; E615-N618 PolarHBondContact O-N 3.49Å
616	T	70.5	Confident	85.8	Confident	65 Å²	65	61.8 Å²	61.8	40%	0.399	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	53.8	7	-176.9	59.9	0	0	0	0	116.5	L567 G614 N618	L567-T616 WeakPolarHBondContact O-CA 3.35Å; G614-T616 PolarHBondContact O-N 3.39Å; T616-N618 VanDerWaalsContact C-N 3.35Å; T616-N618 PolarHBondContact OG1-ND2 2.79Å; T616-N618 VanDerWaalsContact OG1-ND2 3.15Å; T616-N618 PolarHBondContact OG1-OD1 3.47Å
617	G	71.3	Confident	85.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	68	28.2	-174.5	0	0	0	0	0	114.7	V613 G614 E615 Q619 L620	V613-G617 VanDerWaalsContact CG1-CA 3.48Å; G614-G617 PolarHBondContact O-N 3.42Å; E615-G617 PolarHBondContact O-N 3.48Å; G617-Q619 PolarHBondContact O-N 2.82Å; G617-L620 PolarHBondContact O-N 3.12Å
618	N	75.4	Confident	86	Confident	119 Å²	119	49.3 Å²	49.3	64%	0.636	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.7	-179	-70	-10.7	0	0	0	114.1	E615 T616 L620	E615-N618 PolarHBondContact O-N 3.49Å; T616-N618 VanDerWaalsContact C-N 3.35Å; T616-N618 PolarHBondContact OG1-ND2 2.79Å; T616-N618 VanDerWaalsContact OG1-ND2 3.15Å; T616-N618 PolarHBondContact OG1-OD1 3.47Å; N618-L620 VanDerWaalsContact C-N 3.27Å
619	Q	79	Confident	86	Confident	142 Å²	142	48.9 Å²	48.9	66%	0.664	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.7	175.1	-60	-175.5	9.9	0	0	113.2	G617	G617-Q619 PolarHBondContact O-N 2.82Å
620	L	85.7	Confident	85.9	Confident	12 Å²	12	48.2 Å²	48.2	6%	0.063	26%	0.259	C	S	.	.	S	Bend	trans	-105.2	146.7	-176.3	-60.4	178.4	0	0	0	111.6	L567 F572 F605 V613 G617 N618 Q624 R625	L567-L620 HydrophobicContact CD1-CD1 3.58Å; F572-L620 HydrophobicContact CE1-CD1 3.66Å; F572-L620 HydrophobicContact CE1-CD2 4.34Å; F572-L620 HydrophobicContact CZ-CD1 4.05Å; F572-L620 HydrophobicContact CZ-CD2 3.93Å; F605-L620 HydrophobicContact CE2-CD2 4.14Å; F605-L620 HydrophobicContact CZ-CD2 3.79Å; V613-L620 HydrophobicContact CG1-CD1 3.73Å; V613-L620 HydrophobicContact CG1-CG 4.42Å; V613-L620 HydrophobicContact CG2-CD1 4.49Å; G617-L620 PolarHBondContact O-N 3.12Å; N618-L620 VanDerWaalsContact C-N 3.27Å; L620-Q624 HydrophobicContact CB-CB 4.04Å; L620-R625 HydrophobicContact CB-CG 3.77Å; L620-R625 HydrophobicContact CD1-CG 4.46Å
621	S	87	Confident	85.9	Confident	64 Å²	64	44.6 Å²	44.6	45%	0.448	24%	0.24	S	C	.	.			trans	-64.3	160.2	172.6	78.9	0	0	0	0	111.3	G623 Q624 R625	S621-G623 VanDerWaalsContact C-N 3.3Å; S621-G623 PolarHBondContact O-N 3.3Å; S621-Q624 PolarHBondContact O-N 3.48Å; S621-Q624 VanDerWaalsContact OG-CG 3.29Å; S621-Q624 WeakPolarHBondContact OG-CG 3.46Å; S621-Q624 PolarHBondContact OG-N 3.24Å; S621-R625 WeakPolarHBondContact O-CG 3.49Å; S621-R625 PolarHBondContact O-N 3.22Å
622	G	86.4	Confident	86	Confident	30 Å²	30	45.5 Å²	45.5	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-52.6	-46.6	176.1	0	0	0	0	0	112.9	R625 Q626	G622-R625 PolarHBondContact O-N 2.95Å; G622-Q626 PolarHBondContact O-N 2.97Å
623	G	86.8	Confident	86	Confident	7 Å²	7	39 Å²	39	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-41.1	177	0	0	0	0	0	113.7	S621 R625 Q626 A627 A649 L650	S621-G623 VanDerWaalsContact C-N 3.3Å; S621-G623 PolarHBondContact O-N 3.3Å; G623-R625 VanDerWaalsContact C-N 3.33Å; G623-R625 PolarHBondContact O-N 3.01Å; G623-Q626 PolarHBondContact O-N 2.92Å; G623-A627 PolarHBondContact O-N 3.2Å; G623-A649 WeakPolarHBondContact CA-O 3.49Å; G623-A649 PolarHBondContact N-O 3.43Å; G623-L650 VanDerWaalsContact O-CD2 3.31Å; G623-L650 WeakPolarHBondContact O-CD2 3.21Å
624	Q	89.2	Confident	86.2	Confident	54 Å²	54	39 Å²	39	25%	0.252	21%	0.212	S	C	.	.	H	α-helix	trans	-61	-43.4	175.6	-74.5	169.7	-17.2	0	0	111.4	F601 L620 S621 Q626 A627 V628	F601-Q624 HydrophobicContact CD1-CG 3.93Å; F601-Q624 HydrophobicContact CD2-CG 4.07Å; F601-Q624 HydrophobicContact CE1-CB 4.05Å; F601-Q624 HydrophobicContact CE1-CG 3.95Å; F601-Q624 HydrophobicContact CE2-CB 4.13Å; F601-Q624 HydrophobicContact CE2-CG 4.15Å; F601-Q624 HydrophobicContact CG-CG 3.97Å; F601-Q624 HydrophobicContact CZ-CB 3.86Å; F601-Q624 HydrophobicContact CZ-CG 4.09Å; L620-Q624 HydrophobicContact CB-CB 4.04Å; S621-Q624 PolarHBondContact O-N 3.48Å; S621-Q624 VanDerWaalsContact OG-CG 3.29Å; S621-Q624 WeakPolarHBondContact OG-CG 3.46Å; S621-Q624 PolarHBondContact OG-N 3.24Å; Q624-Q626 VanDerWaalsContact C-N 3.34Å; Q624-Q626 PolarHBondContact O-N 3.49Å; Q624-A627 PolarHBondContact O-N 3.04Å; Q624-V628 WeakPolarHBondContact O-CG2 3.39Å; Q624-V628 PolarHBondContact O-N 3.47Å
625	R	90.3	Very high	86.8	Confident	69 Å²	69	38.4 Å²	38.4	26%	0.26	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-41.7	176.1	-67.9	-174.4	-72.1	171.5	2.3	112.1	P565 L567 L620 S621 G622 G623 V628 A629	P565-R625 HydrophobicContact CG-CB 4.24Å; L567-R625 HydrophobicContact CD1-CB 4.34Å; L567-R625 HydrophobicContact CD1-CG 3.96Å; L567-R625 HydrophobicContact CG-CG 4.42Å; L620-R625 HydrophobicContact CB-CG 3.77Å; L620-R625 HydrophobicContact CD1-CG 4.46Å; S621-R625 WeakPolarHBondContact O-CG 3.49Å; S621-R625 PolarHBondContact O-N 3.22Å; G622-R625 PolarHBondContact O-N 2.95Å; G623-R625 VanDerWaalsContact C-N 3.33Å; G623-R625 PolarHBondContact O-N 3.01Å; R625-V628 PolarHBondContact O-N 3.47Å; R625-A629 WeakPolarHBondContact O-CB 3.35Å; R625-A629 PolarHBondContact O-N 3.05Å
626	Q	90	Very high	87.4	Confident	7 Å²	7	33.1 Å²	33.1	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-44.8	174.7	-74.8	-176.5	-15.5	0	0	112.2	Q563 P565 G622 G623 Q624 V628 A629 L630 D645 A646 L650	Q563-Q626 PolarHBondContact O-NE2 2.93Å; P565-Q626 HydrophobicContact CG-CB 4.49Å; P565-Q626 HydrophobicContact CG-CG 3.91Å; G622-Q626 PolarHBondContact O-N 2.97Å; G623-Q626 PolarHBondContact O-N 2.92Å; Q624-Q626 VanDerWaalsContact C-N 3.34Å; Q624-Q626 PolarHBondContact O-N 3.49Å; Q626-V628 PolarHBondContact O-N 3.44Å; Q626-A629 PolarHBondContact O-N 3.36Å; Q626-L630 WeakPolarHBondContact O-CB 3.42Å; Q626-L630 PolarHBondContact O-N 3.34Å; Q626-D645 PolarHBondContact NE2-O 3.49Å; Q626-A646 PolarHBondContact OE1-O 2.76Å; Q626-L650 HydrophobicContact CB-CD2 4.07Å; Q626-L650 HydrophobicContact CB-CG 4.41Å
627	A	91.1	Very high	88.3	Confident	1 Å²	1	36 Å²	36	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-44.3	177.5	0	0	0	0	0	112.4	S596 A598 F601 G623 Q624 A629 L630 A631 L650	S596-A627 WeakPolarHBondContact CB-O 3.29Å; S596-A627 PolarHBondContact OG-O 3.26Å; A598-A627 HydrophobicContact CB-CB 4.06Å; F601-A627 HydrophobicContact CE1-CB 4.01Å; G623-A627 PolarHBondContact O-N 3.2Å; Q624-A627 PolarHBondContact O-N 3.04Å; A627-A629 PolarHBondContact O-N 3.01Å; A627-L630 PolarHBondContact O-N 3.38Å; A627-A631 PolarHBondContact O-N 2.94Å; A627-L650 HydrophobicContact CB-CD2 4.11Å
628	V	92.9	Very high	89.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-42.2	175.1	-178.5	0	0	0	0	111.5	L567 F572 N575 I576 F601 Q624 R625 Q626 L630 A631 R632	L567-V628 HydrophobicContact CD1-CB 4.25Å; L567-V628 HydrophobicContact CD1-CG1 4.36Å; L567-V628 HydrophobicContact CD1-CG2 4.4Å; L567-V628 HydrophobicContact CD2-CB 4.04Å; L567-V628 HydrophobicContact CD2-CG1 3.86Å; F572-V628 HydrophobicContact CD1-CG2 3.98Å; F572-V628 HydrophobicContact CE1-CG2 3.97Å; N575-V628 HydrophobicContact CB-CG1 4.23Å; I576-V628 HydrophobicContact CG1-CG1 4.21Å; F601-V628 HydrophobicContact CE2-CG2 4.38Å; F601-V628 HydrophobicContact CZ-CG2 3.68Å; Q624-V628 WeakPolarHBondContact O-CG2 3.39Å; Q624-V628 PolarHBondContact O-N 3.47Å; R625-V628 PolarHBondContact O-N 3.47Å; Q626-V628 PolarHBondContact O-N 3.44Å; V628-L630 VanDerWaalsContact C-N 3.31Å; V628-L630 PolarHBondContact O-N 2.89Å; V628-A631 WeakPolarHBondContact O-CB 3.37Å; V628-A631 PolarHBondContact O-N 3.32Å; V628-R632 WeakPolarHBondContact O-CB 3.32Å; V628-R632 PolarHBondContact O-N 3.45Å
629	A	92.8	Very high	90.1	Very high	7 Å²	7	34.6 Å²	34.6	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-35.2	179.5	0	0	0	0	0	112.3	V561 P565 R625 Q626 A627 R632 A633	V561-A629 HydrophobicContact CG1-CB 3.9Å; P565-A629 HydrophobicContact CB-CB 3.28Å; P565-A629 HydrophobicContact CG-CB 3.88Å; R625-A629 WeakPolarHBondContact O-CB 3.35Å; R625-A629 PolarHBondContact O-N 3.05Å; Q626-A629 PolarHBondContact O-N 3.36Å; A627-A629 PolarHBondContact O-N 3.01Å; A629-R632 WeakPolarHBondContact O-CB 3.32Å; A629-R632 PolarHBondContact O-N 2.87Å; A629-A633 PolarHBondContact O-N 3.34Å
630	L	92.3	Very high	90.8	Very high	7 Å²	7	28 Å²	28	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-48.7	170.7	-175.2	61.5	0	0	0	110.5	V561 Q626 A627 V628 R632 A633 L634 L643 V658	V561-L630 HydrophobicContact CG2-CD1 4.17Å; Q626-L630 WeakPolarHBondContact O-CB 3.42Å; Q626-L630 PolarHBondContact O-N 3.34Å; A627-L630 PolarHBondContact O-N 3.38Å; V628-L630 VanDerWaalsContact C-N 3.31Å; V628-L630 PolarHBondContact O-N 2.89Å; L630-R632 VanDerWaalsContact C-N 3.25Å; L630-R632 PolarHBondContact O-N 2.97Å; L630-A633 WeakPolarHBondContact O-CA 3.3Å; L630-A633 WeakPolarHBondContact O-CB 3.16Å; L630-A633 PolarHBondContact O-N 3.24Å; L630-L634 HydrophobicContact CD1-CD1 4.46Å; L630-L634 HydrophobicContact CD1-CD2 4.2Å; L630-L634 HydrophobicContact CD1-CG 4.17Å; L630-L634 HydrophobicContact CG-CD1 4Å; L630-L634 HydrophobicContact CG-CG 4.14Å; L630-L634 VanDerWaalsContact O-CG 3.28Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3.42Å; L630-L643 HydrophobicContact CD1-CD2 3.85Å; L630-V658 HydrophobicContact CD2-CB 4.37Å; L630-V658 HydrophobicContact CD2-CG1 4.05Å; L630-V658 HydrophobicContact CD2-CG2 3.38Å
631	A	93.1	Very high	91.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-53	-43.4	174.3	0	0	0	0	0	112.3	I576 V592 S596 A627 V628 A633 L634 I635	I576-A631 HydrophobicContact CD1-CB 4.23Å; I576-A631 HydrophobicContact CG1-CB 4.08Å; I576-A631 HydrophobicContact CG2-CB 4.19Å; V592-A631 HydrophobicContact CG2-CB 4.38Å; S596-A631 WeakPolarHBondContact OG-CB 3.36Å; A627-A631 PolarHBondContact O-N 2.94Å; V628-A631 WeakPolarHBondContact O-CB 3.37Å; V628-A631 PolarHBondContact O-N 3.32Å; A631-A633 VanDerWaalsContact C-N 3.3Å; A631-A633 PolarHBondContact O-N 3.46Å; A631-L634 PolarHBondContact O-N 3.04Å; A631-I635 PolarHBondContact O-N 3.2Å
632	R	94	Very high	91.6	Very high	36 Å²	36	24.4 Å²	24.4	14%	0.136	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-32.3	175.3	-174.7	-166	-59.3	163.8	1.6	113	L566 N575 V628 A629 L630 I635	L566-R632 PolarHBondContact O-NH1 3.43Å; L566-R632 PolarHBondContact O-NH2 3.38Å; N575-R632 WeakPolarHBondContact O-CG 3.37Å; N575-R632 PolarHBondContact O-NE 3.38Å; N575-R632 PolarHBondContact OD1-NH2 2.9Å; V628-R632 WeakPolarHBondContact O-CB 3.32Å; V628-R632 PolarHBondContact O-N 3.45Å; A629-R632 WeakPolarHBondContact O-CB 3.32Å; A629-R632 PolarHBondContact O-N 2.87Å; L630-R632 VanDerWaalsContact C-N 3.25Å; L630-R632 PolarHBondContact O-N 2.97Å; R632-I635 WeakPolarHBondContact O-CG2 3.19Å
633	A	92.8	Very high	91.9	Very high	5 Å²	5	23 Å²	23	4%	0.041	10%	0.099	C	C	.	.	H	α-helix	trans	-77.5	-43.3	174.2	0	0	0	0	0	111.8	A559 V561 A629 L630 A631 I635 R636 P638 L641	A559-A633 HydrophobicContact CB-CB 3.9Å; V561-A633 HydrophobicContact CG2-CB 3.66Å; A629-A633 PolarHBondContact O-N 3.34Å; L630-A633 WeakPolarHBondContact O-CA 3.3Å; L630-A633 WeakPolarHBondContact O-CB 3.16Å; L630-A633 PolarHBondContact O-N 3.24Å; A631-A633 VanDerWaalsContact C-N 3.3Å; A631-A633 PolarHBondContact O-N 3.46Å; A633-I635 PolarHBondContact O-N 2.86Å; A633-R636 PolarHBondContact O-N 3.4Å; A633-P638 WeakPolarHBondContact O-CD 3.46Å; A633-L641 HydrophobicContact CB-CD1 4.06Å
634	L	91.7	Very high	92.2	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-66.2	-36.8	-176.4	-62.1	177.7	0	0	0	112.7	V592 E595 L630 A631 R636 K637 L661 W668	V592-L634 HydrophobicContact CB-CB 4.28Å; V592-L634 HydrophobicContact CG1-CB 4.27Å; E595-L634 HydrophobicContact CB-CD1 4.1Å; L630-L634 HydrophobicContact CD1-CD1 4.46Å; L630-L634 HydrophobicContact CD1-CD2 4.2Å; L630-L634 HydrophobicContact CD1-CG 4.17Å; L630-L634 HydrophobicContact CG-CD1 4Å; L630-L634 HydrophobicContact CG-CG 4.14Å; L630-L634 VanDerWaalsContact O-CG 3.28Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3.42Å; A631-L634 PolarHBondContact O-N 3.04Å; L634-R636 PolarHBondContact O-N 2.99Å; L634-R636 VanDerWaalsContact O-N 3.11Å; L634-K637 PolarHBondContact O-N 2.98Å; L634-L661 HydrophobicContact CD1-CD2 3.62Å; L634-L661 HydrophobicContact CD2-CD2 3.78Å; L634-L661 HydrophobicContact CG-CD2 4.39Å; L634-W668 HydrophobicContact CD2-CH2 3.51Å; L634-W668 HydrophobicContact CD2-CZ2 3.15Å; L634-W668 HydrophobicContact CG-CZ2 4.47Å
635	I	92.8	Very high	92	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.031	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	-179.5	-159.6	164.8	0	0	0	113.7	I576 L580 P584 I589 V592 A631 R632 A633 K637	I576-I635 HydrophobicContact CG2-CB 4.46Å; I576-I635 HydrophobicContact CG2-CD1 3.81Å; I576-I635 WeakPolarHBondContact O-CG2 3.49Å; L580-I635 HydrophobicContact CD1-CD1 4.14Å; L580-I635 HydrophobicContact CD1-CG1 4.12Å; L580-I635 HydrophobicContact CD1-CG2 4.07Å; P584-I635 HydrophobicContact CB-CD1 3.79Å; P584-I635 HydrophobicContact CG-CD1 3.77Å; I589-I635 HydrophobicContact CG1-CD1 4Å; V592-I635 HydrophobicContact CG1-CB 4.27Å; V592-I635 HydrophobicContact CG2-CB 4.12Å; V592-I635 HydrophobicContact CG2-CD1 4.29Å; V592-I635 HydrophobicContact CG2-CG1 4.35Å; A631-I635 PolarHBondContact O-N 3.2Å; R632-I635 WeakPolarHBondContact O-CG2 3.19Å; A633-I635 PolarHBondContact O-N 2.86Å; I635-K637 VanDerWaalsContact C-N 3.27Å; I635-K637 PolarHBondContact O-N 3.21Å
636	R	90.6	Very high	91.2	Very high	60 Å²	60	18.6 Å²	18.6	23%	0.226	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.7	176.2	-64.5	-178.5	179.2	-151.4	-1.5	113	H555 Y578 L580 A633 L634	H555-R636 PolarHBondContact O-NH1 3.37Å; Y578-R636 PolarHBondContact O-NH2 3.34Å; L580-R636 HydrophobicContact CD2-CG 3.95Å; A633-R636 PolarHBondContact O-N 3.4Å; L634-R636 PolarHBondContact O-N 2.99Å; L634-R636 VanDerWaalsContact O-N 3.11Å
637	K	89.4	Confident	90.6	Very high	127 Å²	127	18.4 Å²	18.4	55%	0.552	8%	0.081	S	C	*	.			trans	49.6	57.3	-172.6	-60.8	-178	176.7	-176.1	0	112.1	L634 I635	L634-K637 PolarHBondContact O-N 2.98Å; I635-K637 VanDerWaalsContact C-N 3.27Å; I635-K637 PolarHBondContact O-N 3.21Å
638	P	92.3	Very high	89.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.			trans	-68	149.5	-172.3	31.8	-39.3	0	0	0	112.3	Q557 A559 A633 L641 W668 R671	Q557-P638 CarbonylContact O-C 3.6Å; Q557-P638 WeakPolarHBondContact O-CA 3.29Å; Q557-P638 VanDerWaalsContact O-CB 3.29Å; Q557-P638 WeakPolarHBondContact O-CB 3.23Å; A559-P638 HydrophobicContact CB-CB 3.73Å; A559-P638 HydrophobicContact CB-CG 3.71Å; A633-P638 WeakPolarHBondContact O-CD 3.46Å; P638-L641 HydrophobicContact CG-CB 4.34Å; P638-L641 HydrophobicContact CG-CD1 4.35Å; P638-W668 HydrophobicContact CG-CH2 4.21Å; P638-R671 VanDerWaalsContact O-CD 3.26Å; P638-R671 WeakPolarHBondContact O-CD 3.2Å
639	R	92.3	Very high	89.2	Confident	89 Å²	89	23 Å²	23	34%	0.336	12%	0.116	S	C	.	.	S	Bend	trans	-79	-28.3	169	-70	-70.8	-176.2	-178.4	1.2	112.3	M476 Q557 T672	M476-R639 HydrophobicContact CB-CG 4.3Å; M476-R639 HydrophobicContact CG-CB 4.4Å; M476-R639 HydrophobicContact SD-CB 4.05Å; M476-R639 HydrophobicContact SD-CG 4.49Å; Q557-R639 PolarHBondContact O-N 3.26Å; R639-T672 PolarHBondContact O-N 3.15Å
640	L	93.9	Very high	88.5	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.6	174.1	178.4	64.7	0	0	0	109.5	V480 L505 L528 Q557 V558 A559 I642 T672	V480-L640 HydrophobicContact CG2-CD1 4.26Å; V480-L640 HydrophobicContact CG2-CD2 3.92Å; L505-L640 HydrophobicContact CD1-CD1 4.39Å; L528-L640 HydrophobicContact CD2-CD2 4.25Å; Q557-L640 PolarHBondContact O-N 3.31Å; V558-L640 WeakPolarHBondContact CA-O 3.06Å; V558-L640 HydrophobicContact CG1-CB 4.49Å; V558-L640 HydrophobicContact CG1-CD2 3.97Å; V558-L640 HydrophobicContact CG1-CG 4.29Å; V558-L640 HydrophobicContact CG2-CB 4.18Å; V558-L640 HydrophobicContact CG2-CD2 4Å; A559-L640 PolarHBondContact N-O 3.35Å; L640-I642 HydrophobicContact CG-CG1 4.39Å; L640-T672 WeakPolarHBondContact CA-O 3.39Å; L640-T672 HydrophobicContact CD1-CG2 3.56Å
641	L	94.4	Very high	88	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.3	174.2	178.8	67.9	0	0	0	110.1	A559 A633 P638 L643 L662 W668 T672 V673 L674	A559-L641 HydrophobicContact CB-CD1 4.32Å; A559-L641 WeakPolarHBondContact O-CA 3.45Å; A633-L641 HydrophobicContact CB-CD1 4.06Å; P638-L641 HydrophobicContact CG-CB 4.34Å; P638-L641 HydrophobicContact CG-CD1 4.35Å; L641-L643 HydrophobicContact CD1-CD2 4.08Å; L641-L643 HydrophobicContact CD2-CD1 4.13Å; L641-L643 HydrophobicContact CD2-CD2 4.09Å; L641-L643 HydrophobicContact CD2-CG 4.1Å; L641-L643 HydrophobicContact CG-CD2 4.05Å; L641-L643 HydrophobicContact CG-CG 4.07Å; L641-L662 HydrophobicContact CD2-CD2 3.93Å; L641-W668 HydrophobicContact CB-CH2 4.33Å; L641-W668 HydrophobicContact CB-CZ3 3.75Å; L641-W668 HydrophobicContact CD2-CE3 4.27Å; L641-W668 HydrophobicContact CD2-CH2 3.65Å; L641-W668 HydrophobicContact CD2-CZ3 3.39Å; L641-W668 HydrophobicContact CG-CH2 4.42Å; L641-W668 HydrophobicContact CG-CZ3 4.13Å; L641-T672 PolarHBondContact N-O 3.29Å; L641-V673 HydrophobicContact CB-CG2 4.46Å; L641-V673 CarbonylContact O-C 3.6Å; L641-V673 WeakPolarHBondContact O-CA 3.44Å; L641-L674 PolarHBondContact O-N 3.45Å
642	I	94.6	Very high	87.4	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	-113.5	123	176.7	-54	165.4	0	0	0	108.1	A525 L528 Q529 V558 A559 A560 V561 L640 L674	A525-I642 HydrophobicContact CB-CG2 3.71Å; L528-I642 HydrophobicContact CB-CD1 3.61Å; L528-I642 HydrophobicContact CD1-CD1 4.01Å; L528-I642 HydrophobicContact CD1-CG1 4.32Å; L528-I642 HydrophobicContact CG-CD1 4.46Å; Q529-I642 HydrophobicContact CG-CD1 3.96Å; V558-I642 HydrophobicContact CG1-CD1 3.91Å; A559-I642 PolarHBondContact O-N 3.46Å; A560-I642 CarbonylContact C-O 3.54Å; A560-I642 VanDerWaalsContact CA-O 3.29Å; A560-I642 WeakPolarHBondContact CA-O 3.4Å; A560-I642 HydrophobicContact CB-CB 3.99Å; A560-I642 HydrophobicContact CB-CD1 4.4Å; V561-I642 PolarHBondContact N-O 2.88Å; L640-I642 HydrophobicContact CG-CG1 4.39Å; I642-L674 WeakPolarHBondContact CA-O 3.16Å; I642-L674 HydrophobicContact CG1-CB 4.48Å; I642-L674 HydrophobicContact CG2-CD2 4.3Å
643	L	93.2	Very high	86.7	Confident	1 Å²	1	31 Å²	31	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	106.2	177.3	-61.7	178.1	0	0	0	108.3	V561 L630 L641 A646 L662 L674 L675 I676	V561-L643 HydrophobicContact CB-CD2 3.89Å; V561-L643 HydrophobicContact CG2-CD2 3.71Å; L630-L643 HydrophobicContact CD1-CD2 3.85Å; L641-L643 HydrophobicContact CD1-CD2 4.08Å; L641-L643 HydrophobicContact CD2-CD1 4.13Å; L641-L643 HydrophobicContact CD2-CD2 4.09Å; L641-L643 HydrophobicContact CD2-CG 4.1Å; L641-L643 HydrophobicContact CG-CD2 4.05Å; L641-L643 HydrophobicContact CG-CG 4.07Å; L643-A646 HydrophobicContact CB-CB 4.32Å; L643-A646 HydrophobicContact CD2-CB 4.29Å; L643-L662 HydrophobicContact CD1-CD1 3.64Å; L643-L662 HydrophobicContact CD1-CD2 4.1Å; L643-L662 HydrophobicContact CD1-CG 4.46Å; L643-L674 PolarHBondContact N-O 3.39Å; L643-L675 HydrophobicContact CB-CD1 3.81Å; L643-L675 HydrophobicContact CD1-CD1 4.2Å; L643-I676 PolarHBondContact O-N 2.96Å
644	D	92.2	Very high	86.2	Confident	17 Å²	17	31.6 Å²	31.6	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	92.6	178.6	-165.1	8	0	0	0	110.8	S522 V561 G562 Q563 A646 I676	S522-D644 VanDerWaalsContact CB-OD2 3.27Å; S522-D644 WeakPolarHBondContact CB-OD2 3.26Å; S522-D644 PolarHBondContact OG-OD2 2.95Å; V561-D644 PolarHBondContact O-N 3.49Å; G562-D644 CarbonylContact C-O 3.47Å; Q563-D644 WeakPolarHBondContact CA-O 3.29Å; Q563-D644 PolarHBondContact N-O 2.91Å; Q563-D644 VanDerWaalsContact N-O 3.09Å; D644-A646 PolarHBondContact O-N 3.01Å; D644-I676 HydrophobicContact CB-CD1 4.07Å; D644-I676 WeakPolarHBondContact OD1-CB 3.2Å; D644-I676 WeakPolarHBondContact OD1-CD1 3.4Å; D644-I676 VanDerWaalsContact OD1-CG2 3.32Å; D644-I676 WeakPolarHBondContact OD1-CG2 3.34Å
645	D	84.9	Confident	85.7	Confident	16 Å²	16	33.2 Å²	33.2	9%	0.086	19%	0.191	C	C	.	.	S	Bend	trans	50.3	24.3	-175.7	-157.5	45	0	0	0	114.2	Q563 Q626 T647 S648 I676	Q563-D645 HydrophobicContact CG-CB 4.23Å; Q626-D645 PolarHBondContact NE2-O 3.49Å; D645-T647 PolarHBondContact O-N 2.9Å; D645-S648 PolarHBondContact O-N 3.4Å; D645-S648 PolarHBondContact O-OG 3.27Å; D645-S648 VanDerWaalsContact OD2-CB 3.29Å; D645-S648 WeakPolarHBondContact OD2-CB 3.38Å; D645-S648 PolarHBondContact OD2-OG 3.11Å; D645-I676 WeakPolarHBondContact CA-O 3.47Å; D645-I676 PolarHBondContact N-O 3.48Å
646	A	75.2	Confident	85.3	Confident	5 Å²	5	36.5 Å²	36.5	4%	0.041	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	6.4	-171.5	0	0	0	0	0	115	V561 Q626 L643 D644	V561-A646 HydrophobicContact CB-CB 3.8Å; V561-A646 HydrophobicContact CG1-CB 3.48Å; V561-A646 VanDerWaalsContact CG1-CB 3.48Å; Q626-A646 PolarHBondContact OE1-O 2.76Å; L643-A646 HydrophobicContact CB-CB 4.32Å; L643-A646 HydrophobicContact CD2-CB 4.29Å; D644-A646 PolarHBondContact O-N 3.01Å
647	T	76.3	Confident	85	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.018	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-3.7	-177.9	51.5	0	0	0	0	112.5	D645 L650 V658 Q679 L682	D645-T647 PolarHBondContact O-N 2.9Å; T647-L650 HydrophobicContact CG2-CD1 4.19Å; T647-V658 HydrophobicContact CG2-CG1 3.93Å; T647-Q679 PolarHBondContact O-NE2 3.27Å; T647-L682 HydrophobicContact CG2-CD1 4.25Å; T647-L682 WeakPolarHBondContact OG1-CD1 3.44Å
648	S	76.8	Confident	84.7	Confident	52 Å²	52	32.2 Å²	32.2	36%	0.364	19%	0.189	S	C	.	.	S	Bend	trans	-71.9	-28.5	-175.1	59.2	0	0	0	0	114.1	D645	D645-S648 PolarHBondContact O-N 3.4Å; D645-S648 PolarHBondContact O-OG 3.27Å; D645-S648 VanDerWaalsContact OD2-CB 3.29Å; D645-S648 WeakPolarHBondContact OD2-CB 3.38Å; D645-S648 PolarHBondContact OD2-OG 3.11Å
649	A	77.6	Confident	84.4	Confident	46 Å²	46	33.5 Å²	33.5	38%	0.38	20%	0.195	S	C	.	.	S	Bend	trans	-101.6	-1.9	179.4	0	0	0	0	0	113.5	G623	G623-A649 WeakPolarHBondContact CA-O 3.49Å; G623-A649 PolarHBondContact N-O 3.43Å
650	L	78.7	Confident	84.1	Confident	12 Å²	12	35.5 Å²	35.5	6%	0.063	20%	0.202	C	C	.	.	S	Bend	trans	-71.1	140.6	174	-66.4	177.1	0	0	0	110	G623 Q626 A627 T647 N654 Q655 V658	G623-L650 VanDerWaalsContact O-CD2 3.31Å; G623-L650 WeakPolarHBondContact O-CD2 3.21Å; Q626-L650 HydrophobicContact CB-CD2 4.07Å; Q626-L650 HydrophobicContact CB-CG 4.41Å; A627-L650 HydrophobicContact CB-CD2 4.11Å; T647-L650 HydrophobicContact CG2-CD1 4.19Å; L650-N654 HydrophobicContact CB-CB 4.33Å; L650-N654 HydrophobicContact CD2-CB 4.32Å; L650-Q655 HydrophobicContact CB-CB 4.39Å; L650-V658 HydrophobicContact CD1-CG2 3.85Å
651	D	80.6	Confident	83.6	Confident	87 Å²	87	36.1 Å²	36.1	47%	0.465	21%	0.206	S	C	.	.			trans	-61.6	153.2	167.1	59.8	-62.9	0	0	0	110.6	G653 N654 Q655	D651-G653 PolarHBondContact O-N 2.99Å; D651-N654 PolarHBondContact O-N 3.35Å; D651-N654 VanDerWaalsContact OD1-CB 3.28Å; D651-N654 WeakPolarHBondContact OD1-CB 3.48Å; D651-N654 VanDerWaalsContact OD1-CG 3.26Å; D651-N654 PolarHBondContact OD1-ND2 3.26Å; D651-N654 PolarHBondContact OD2-N 2.89Å; D651-Q655 PolarHBondContact O-N 2.89Å
652	A	80.4	Confident	83.2	Confident	77 Å²	77	36.7 Å²	36.7	64%	0.636	21%	0.209	S	C	*	.	H	α-helix	trans	-54.9	-33.2	-174.3	0	0	0	0	0	113.4	L656	A652-L656 WeakPolarHBondContact O-CB 3.39Å; A652-L656 PolarHBondContact O-N 3.39Å; A652-L656 VanDerWaalsContact O-N 3.08Å
653	G	80.7	Confident	82.7	Confident	42 Å²	42	38.8 Å²	38.8	43%	0.433	22%	0.217	S	C	.	.	H	α-helix	trans	-65.1	-50.5	176.5	0	0	0	0	0	112.4	D651 L656 R657	D651-G653 PolarHBondContact O-N 2.99Å; G653-L656 PolarHBondContact O-N 2.78Å; G653-R657 PolarHBondContact O-N 3.37Å; G653-R657 VanDerWaalsContact O-N 3.16Å
654	N	81.1	Confident	82.3	Confident	17 Å²	17	44 Å²	44	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-68.4	-37.9	176.9	-73.8	-28.6	0	0	0	112.5	G597 L650 D651 L656 R657 V658	G597-N654 VanDerWaalsContact CA-OD1 3.31Å; G597-N654 WeakPolarHBondContact CA-OD1 3.45Å; L650-N654 HydrophobicContact CB-CB 4.33Å; L650-N654 HydrophobicContact CD2-CB 4.32Å; D651-N654 PolarHBondContact O-N 3.35Å; D651-N654 VanDerWaalsContact OD1-CB 3.28Å; D651-N654 WeakPolarHBondContact OD1-CB 3.48Å; D651-N654 VanDerWaalsContact OD1-CG 3.26Å; D651-N654 PolarHBondContact OD1-ND2 3.26Å; D651-N654 PolarHBondContact OD2-N 2.89Å; N654-L656 VanDerWaalsContact C-N 3.29Å; N654-L656 PolarHBondContact O-N 3.22Å; N654-R657 WeakPolarHBondContact O-CB 3.46Å; N654-R657 PolarHBondContact O-N 3.34Å; N654-R657 VanDerWaalsContact O-N 3.11Å; N654-V658 WeakPolarHBondContact O-CG2 3.47Å; N654-V658 PolarHBondContact O-N 3.11Å
655	Q	82.4	Confident	81.7	Confident	38 Å²	38	44.6 Å²	44.6	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-43.5	174.3	-170.6	-171.5	-1.2	0	0	111.4	L650 D651 V658 Q659	L650-Q655 HydrophobicContact CB-CB 4.39Å; D651-Q655 PolarHBondContact O-N 2.89Å; Q655-V658 PolarHBondContact O-N 2.89Å; Q655-Q659 WeakPolarHBondContact O-CB 3.39Å; Q655-Q659 PolarHBondContact O-N 3.33Å
656	L	84.1	Confident	81.3	Confident	74 Å²	74	49.2 Å²	49.2	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-40.7	175.6	-167.8	106.7	0	0	0	111.9	A652 G653 N654 Q659 R660	A652-L656 WeakPolarHBondContact O-CB 3.39Å; A652-L656 PolarHBondContact O-N 3.39Å; A652-L656 VanDerWaalsContact O-N 3.08Å; G653-L656 PolarHBondContact O-N 2.78Å; N654-L656 VanDerWaalsContact C-N 3.29Å; N654-L656 PolarHBondContact O-N 3.22Å; L656-Q659 WeakPolarHBondContact O-CB 3.34Å; L656-Q659 PolarHBondContact O-N 3.24Å; L656-R660 VanDerWaalsContact CD2-CZ 3.42Å; L656-R660 WeakPolarHBondContact O-CG 3.45Å; L656-R660 PolarHBondContact O-N 2.87Å
657	R	83.9	Confident	81.3	Confident	96 Å²	96	53.6 Å²	53.6	36%	0.362	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-47.1	174.9	-70.1	-176.7	-173.8	-176.3	12.6	111.5	D600 G653 N654 Q659 R660 L661	D600-R657 IonicContact OD1-NH1 3.9Å; D600-R657 IonicContact OD2-CZ 3.84Å; D600-R657 VanDerWaalsContact OD2-CZ 3.24Å; D600-R657 IonicContact OD2-NH1 2.79Å; D600-R657 PolarHBondContact OD2-NH1 2.98Å; D600-R657 IonicContact OD2-NH2 2.9Å; D600-R657 PolarHBondContact OD2-NH2 3.2Å; G653-R657 PolarHBondContact O-N 3.37Å; G653-R657 VanDerWaalsContact O-N 3.16Å; N654-R657 WeakPolarHBondContact O-CB 3.46Å; N654-R657 PolarHBondContact O-N 3.34Å; N654-R657 VanDerWaalsContact O-N 3.11Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.03Å; R657-R660 PolarHBondContact O-N 3.44Å; R657-L661 PolarHBondContact O-N 2.95Å
658	V	84.1	Confident	81.3	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-41.2	176.9	177.3	0	0	0	0	111	L630 T647 L650 N654 Q655 R660 L661 L662	L630-V658 HydrophobicContact CD2-CB 4.37Å; L630-V658 HydrophobicContact CD2-CG1 4.05Å; L630-V658 HydrophobicContact CD2-CG2 3.38Å; T647-V658 HydrophobicContact CG2-CG1 3.93Å; L650-V658 HydrophobicContact CD1-CG2 3.85Å; N654-V658 WeakPolarHBondContact O-CG2 3.47Å; N654-V658 PolarHBondContact O-N 3.11Å; Q655-V658 PolarHBondContact O-N 2.89Å; V658-R660 PolarHBondContact O-N 2.92Å; V658-L661 WeakPolarHBondContact O-CB 3.35Å; V658-L661 PolarHBondContact O-N 3.35Å; V658-L662 HydrophobicContact CG1-CD1 4.06Å; V658-L662 HydrophobicContact CG1-CG 4.34Å; V658-L662 WeakPolarHBondContact O-CG 3.06Å; V658-L662 PolarHBondContact O-N 2.91Å
659	Q	84.7	Confident	81.1	Confident	27 Å²	27	54.7 Å²	54.7	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-45	176.4	-167.5	-176.3	35.8	0	0	111.7	Q655 L656 R657 L661 L662 Y663 L682 R685	Q655-Q659 WeakPolarHBondContact O-CB 3.39Å; Q655-Q659 PolarHBondContact O-N 3.33Å; L656-Q659 WeakPolarHBondContact O-CB 3.34Å; L656-Q659 PolarHBondContact O-N 3.24Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.03Å; Q659-L661 VanDerWaalsContact C-N 3.33Å; Q659-L661 PolarHBondContact O-N 3.03Å; Q659-L662 PolarHBondContact O-N 3.42Å; Q659-Y663 HydrophobicContact CG-CD2 3.79Å; Q659-Y663 HydrophobicContact CG-CE2 4.11Å; Q659-Y663 WeakPolarHBondContact O-CB 3.41Å; Q659-Y663 VanDerWaalsContact O-CD2 3.27Å; Q659-Y663 WeakPolarHBondContact O-CD2 3.33Å; Q659-Y663 PolarHBondContact O-N 3.43Å; Q659-L682 HydrophobicContact CB-CD2 4.41Å; Q659-L682 HydrophobicContact CG-CD2 4.11Å; Q659-R685 VanDerWaalsContact NE2-NH1 3.16Å
660	R	86	Confident	81.1	Confident	131 Å²	131	55.4 Å²	55.4	49%	0.494	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-40.8	174.2	-67.5	-176.3	175.9	158	-2.4	111.6	L656 R657 V658 L662 E664 S665	L656-R660 VanDerWaalsContact CD2-CZ 3.42Å; L656-R660 WeakPolarHBondContact O-CG 3.45Å; L656-R660 PolarHBondContact O-N 2.87Å; R657-R660 PolarHBondContact O-N 3.44Å; V658-R660 PolarHBondContact O-N 2.92Å; R660-L662 VanDerWaalsContact C-N 3.34Å; R660-L662 PolarHBondContact O-N 3.39Å; R660-E664 VanDerWaalsContact CG-OE2 3.3Å; R660-E664 WeakPolarHBondContact CG-OE2 3.4Å; R660-E664 WeakPolarHBondContact O-CA 3.39Å; R660-E664 VanDerWaalsContact O-CB 3.27Å; R660-E664 WeakPolarHBondContact O-CB 3.35Å; R660-E664 PolarHBondContact O-N 2.9Å; R660-S665 PolarHBondContact O-N 3.3Å
661	L	84.6	Confident	81.7	Confident	15 Å²	15	55.9 Å²	55.9	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-45.4	176.3	-173.5	69.7	0	0	0	111.8	E595 L634 R657 V658 Q659 S665	E595-L661 HydrophobicContact CB-CD1 4.31Å; E595-L661 HydrophobicContact CB-CD2 4.43Å; E595-L661 HydrophobicContact CG-CD1 4.3Å; L634-L661 HydrophobicContact CD1-CD2 3.62Å; L634-L661 HydrophobicContact CD2-CD2 3.78Å; L634-L661 HydrophobicContact CG-CD2 4.39Å; R657-L661 PolarHBondContact O-N 2.95Å; V658-L661 WeakPolarHBondContact O-CB 3.35Å; V658-L661 PolarHBondContact O-N 3.35Å; Q659-L661 VanDerWaalsContact C-N 3.33Å; Q659-L661 PolarHBondContact O-N 3.03Å; L661-S665 WeakPolarHBondContact O-CB 3.34Å
662	L	84.7	Confident	82.3	Confident	12 Å²	12	51.7 Å²	51.7	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-75.3	-34	-176.4	-65.4	176.9	0	0	0	113.8	L641 L643 V658 Q659 R660 V673	L641-L662 HydrophobicContact CD2-CD2 3.93Å; L643-L662 HydrophobicContact CD1-CD1 3.64Å; L643-L662 HydrophobicContact CD1-CD2 4.1Å; L643-L662 HydrophobicContact CD1-CG 4.46Å; V658-L662 HydrophobicContact CG1-CD1 4.06Å; V658-L662 HydrophobicContact CG1-CG 4.34Å; V658-L662 WeakPolarHBondContact O-CG 3.06Å; V658-L662 PolarHBondContact O-N 2.91Å; Q659-L662 PolarHBondContact O-N 3.42Å; R660-L662 VanDerWaalsContact C-N 3.34Å; R660-L662 PolarHBondContact O-N 3.39Å; L662-V673 HydrophobicContact CD2-CG1 4.11Å; L662-V673 HydrophobicContact CD2-CG2 4.29Å
663	Y	84.8	Confident	83	Confident	44 Å²	44	48.2 Å²	48.2	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-108.2	-25.8	-171.4	-68.2	-71.3	0	0	0	114.7	V510 Q659 L682 R685 A686	V510-Y663 HydrophobicContact CB-CE1 3.87Å; V510-Y663 HydrophobicContact CG1-CE1 4.05Å; V510-Y663 HydrophobicContact CG2-CD1 4.17Å; V510-Y663 HydrophobicContact CG2-CE1 3.86Å; Q659-Y663 HydrophobicContact CG-CD2 3.79Å; Q659-Y663 HydrophobicContact CG-CE2 4.11Å; Q659-Y663 WeakPolarHBondContact O-CB 3.41Å; Q659-Y663 VanDerWaalsContact O-CD2 3.27Å; Q659-Y663 WeakPolarHBondContact O-CD2 3.33Å; Q659-Y663 PolarHBondContact O-N 3.43Å; Y663-L682 PolarHBondContact OH-O 3.26Å; Y663-L682 VanDerWaalsContact OH-O 3.05Å; Y663-R685 HydrophobicContact CD2-CB 4.47Å; Y663-R685 HydrophobicContact CE1-CB 4.06Å; Y663-R685 WeakPolarHBondContact CE1-O 3.33Å; Y663-R685 HydrophobicContact CE2-CB 3.95Å; Y663-A686 WeakPolarHBondContact OH-CA 3.44Å; Y663-A686 PolarHBondContact OH-N 3.24Å
664	E	83.5	Confident	83.6	Confident	110 Å²	110	46.2 Å²	46.2	51%	0.514	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-21.7	-171.6	-60.6	167.4	-160.5	0	0	112.8	R660 R685	R660-E664 VanDerWaalsContact CG-OE2 3.3Å; R660-E664 WeakPolarHBondContact CG-OE2 3.4Å; R660-E664 WeakPolarHBondContact O-CA 3.39Å; R660-E664 VanDerWaalsContact O-CB 3.27Å; R660-E664 WeakPolarHBondContact O-CB 3.35Å; R660-E664 PolarHBondContact O-N 2.9Å; E664-R685 IonicContact OE1-NH2 2.73Å; E664-R685 PolarHBondContact OE1-NH2 2.87Å
665	S	81.4	Confident	84.2	Confident	31 Å²	31	45.4 Å²	45.4	22%	0.217	23%	0.234	C	C	.	.			trans	-74.8	125.9	-176.6	-175.6	0	0	0	0	112.5	R660 L661 E667 W668 A669	R660-S665 PolarHBondContact O-N 3.3Å; L661-S665 WeakPolarHBondContact O-CB 3.34Å; S665-E667 PolarHBondContact O-N 2.95Å; S665-W668 PolarHBondContact O-N 3.02Å; S665-W668 VanDerWaalsContact O-N 3.11Å; S665-A669 PolarHBondContact O-N 3.16Å
666	P	76.4	Confident	84.8	Confident	113 Å²	113	43.7 Å²	43.7	73%	0.734	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.6	179.5	25.3	-33.5	0	0	0	112.7	W668 A669	P666-W668 PolarHBondContact O-N 3.21Å; P666-A669 WeakPolarHBondContact O-CB 3.24Å; P666-A669 PolarHBondContact O-N 3.02Å
667	E	75.2	Confident	84.9	Confident	96 Å²	96	40.4 Å²	40.4	45%	0.449	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.3	177.3	-62.2	-159.8	170.8	0	0	113.2	S665 R671	S665-E667 PolarHBondContact O-N 2.95Å; E667-R671 PolarHBondContact O-NE 3.32Å; E667-R671 IonicContact OE2-NH2 3.83Å
668	W	76.2	Confident	84.8	Confident	8 Å²	8	40.4 Å²	40.4	3%	0.03	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-12.3	-177.3	-70.8	85	0	0	0	112.8	L634 P638 L641 S665 P666 S670 R671 V673	L634-W668 HydrophobicContact CD2-CH2 3.51Å; L634-W668 HydrophobicContact CD2-CZ2 3.15Å; L634-W668 HydrophobicContact CG-CZ2 4.47Å; P638-W668 HydrophobicContact CG-CH2 4.21Å; L641-W668 HydrophobicContact CB-CH2 4.33Å; L641-W668 HydrophobicContact CB-CZ3 3.75Å; L641-W668 HydrophobicContact CD2-CE3 4.27Å; L641-W668 HydrophobicContact CD2-CH2 3.65Å; L641-W668 HydrophobicContact CD2-CZ3 3.39Å; L641-W668 HydrophobicContact CG-CH2 4.42Å; L641-W668 HydrophobicContact CG-CZ3 4.13Å; S665-W668 PolarHBondContact O-N 3.02Å; S665-W668 VanDerWaalsContact O-N 3.11Å; P666-W668 PolarHBondContact O-N 3.21Å; W668-S670 PolarHBondContact O-N 3.42Å; W668-R671 HydrophobicContact CE3-CB 4.05Å; W668-R671 VanDerWaalsContact CE3-CD 3.4Å; W668-R671 HydrophobicContact CE3-CG 4.33Å; W668-R671 VanDerWaalsContact CH2-NH1 3.25Å; W668-R671 HydrophobicContact CZ3-CB 4.39Å; W668-R671 PolarHBondContact O-N 2.79Å; W668-V673 HydrophobicContact CE3-CG2 4.25Å
669	A	72.3	Confident	84.6	Confident	70 Å²	70	42.3 Å²	42.3	58%	0.579	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.7	178.3	0	0	0	0	0	114.1	G508 S665 P666	G508-A669 WeakPolarHBondContact CA-O 3.08Å; S665-A669 PolarHBondContact O-N 3.16Å; P666-A669 WeakPolarHBondContact O-CB 3.24Å; P666-A669 PolarHBondContact O-N 3.02Å
670	S	78.2	Confident	84.4	Confident	61 Å²	61	43.1 Å²	43.1	43%	0.427	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	0.8	177.3	67.3	0	0	0	0	114.5	W668	W668-S670 PolarHBondContact O-N 3.42Å
671	R	89.8	Confident	84.2	Confident	22 Å²	22	39.5 Å²	39.5	8%	0.083	22%	0.222	C	C	.	.	S	Bend	trans	-104	146	-172.6	-58.7	176.3	-168.7	-164.1	9.2	110.5	G508 P638 E667 W668	G508-R671 VanDerWaalsContact CA-O 3.26Å; G508-R671 WeakPolarHBondContact CA-O 3.38Å; G508-R671 PolarHBondContact N-O 3.44Å; G508-R671 VanDerWaalsContact N-O 3.12Å; P638-R671 VanDerWaalsContact O-CD 3.26Å; P638-R671 WeakPolarHBondContact O-CD 3.2Å; E667-R671 PolarHBondContact O-NE 3.32Å; E667-R671 IonicContact OE2-NH2 3.83Å; W668-R671 HydrophobicContact CE3-CB 4.05Å; W668-R671 VanDerWaalsContact CE3-CD 3.4Å; W668-R671 HydrophobicContact CE3-CG 4.33Å; W668-R671 VanDerWaalsContact CH2-NH1 3.25Å; W668-R671 HydrophobicContact CZ3-CB 4.39Å; W668-R671 PolarHBondContact O-N 2.79Å
672	T	93.9	Very high	84.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.4	173.8	-55.5	0	0	0	0	108.5	G478 L505 P507 R639 L640 L641	G478-T672 WeakPolarHBondContact O-CB 3.38Å; G478-T672 PolarHBondContact O-OG1 2.93Å; L505-T672 HydrophobicContact CB-CG2 3.63Å; L505-T672 HydrophobicContact CD1-CG2 4.45Å; P507-T672 VanDerWaalsContact CA-OG1 3.28Å; P507-T672 WeakPolarHBondContact CA-OG1 3.48Å; R639-T672 PolarHBondContact O-N 3.15Å; L640-T672 WeakPolarHBondContact CA-O 3.39Å; L640-T672 HydrophobicContact CD1-CG2 3.56Å; L641-T672 PolarHBondContact N-O 3.29Å
673	V	94.1	Very high	84.3	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.9	178.3	-177.7	0	0	0	0	109.5	K509 V510 T511 L641 L662 W668	K509-V673 PolarHBondContact O-N 3.27Å; V510-V673 HydrophobicContact CB-CB 4.39Å; V510-V673 HydrophobicContact CG1-CB 4.26Å; V510-V673 HydrophobicContact CG1-CG1 4.14Å; V510-V673 HydrophobicContact CG2-CB 4.1Å; V510-V673 HydrophobicContact CG2-CG2 4.38Å; T511-V673 PolarHBondContact N-O 3.13Å; L641-V673 HydrophobicContact CB-CG2 4.46Å; L641-V673 CarbonylContact O-C 3.6Å; L641-V673 WeakPolarHBondContact O-CA 3.44Å; L662-V673 HydrophobicContact CD2-CG1 4.11Å; L662-V673 HydrophobicContact CD2-CG2 4.29Å; W668-V673 HydrophobicContact CE3-CG2 4.25Å
674	L	95	Very high	84.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.4	166.4	179.6	67.2	0	0	0	108.8	L505 L513 V524 L528 L641 I642 L643	L505-L674 HydrophobicContact CD1-CB 4.18Å; L505-L674 HydrophobicContact CD1-CD1 4.41Å; L505-L674 HydrophobicContact CD2-CD1 4.11Å; L513-L674 HydrophobicContact CB-CD1 4.07Å; V524-L674 HydrophobicContact CG1-CD2 4.23Å; L528-L674 HydrophobicContact CD1-CD2 3.34Å; L641-L674 PolarHBondContact O-N 3.45Å; I642-L674 WeakPolarHBondContact CA-O 3.16Å; I642-L674 HydrophobicContact CG1-CB 4.48Å; I642-L674 HydrophobicContact CG2-CD2 4.3Å; L643-L674 PolarHBondContact N-O 3.39Å
675	L	93.9	Very high	84.8	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	108.8	179	178.1	64.1	0	0	0	109.7	V510 T511 A512 L513 L643 T677 L682	V510-L675 HydrophobicContact CG1-CB 4.4Å; T511-L675 PolarHBondContact O-N 3.09Å; A512-L675 CarbonylContact C-O 3.53Å; A512-L675 WeakPolarHBondContact CA-O 3.12Å; L513-L675 PolarHBondContact N-O 3.18Å; L643-L675 HydrophobicContact CB-CD1 3.81Å; L643-L675 HydrophobicContact CD1-CD1 4.2Å; L675-T677 HydrophobicContact CD2-CG2 4.18Å; L675-T677 HydrophobicContact CG-CG2 4.07Å; L675-L682 HydrophobicContact CD2-CB 3.99Å
676	I	93.5	Very high	85.2	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120	168	-53.9	165.8	0	0	0	106.3	L513 K521 A525 L643 D644 D645	L513-I676 HydrophobicContact CB-CG1 4.14Å; L513-I676 HydrophobicContact CD2-CG1 4.16Å; L513-I676 WeakPolarHBondContact O-CA 3.45Å; K521-I676 HydrophobicContact CB-CD1 4.31Å; K521-I676 HydrophobicContact CB-CG2 3.64Å; K521-I676 HydrophobicContact CD-CG2 3.86Å; K521-I676 HydrophobicContact CG-CG2 4.32Å; K521-I676 WeakPolarHBondContact O-CD1 3.02Å; A525-I676 HydrophobicContact CB-CD1 3.84Å; L643-I676 PolarHBondContact O-N 2.96Å; D644-I676 HydrophobicContact CB-CD1 4.07Å; D644-I676 WeakPolarHBondContact OD1-CB 3.2Å; D644-I676 WeakPolarHBondContact OD1-CD1 3.4Å; D644-I676 VanDerWaalsContact OD1-CG2 3.32Å; D644-I676 WeakPolarHBondContact OD1-CG2 3.34Å; D645-I676 WeakPolarHBondContact CA-O 3.47Å; D645-I676 PolarHBondContact N-O 3.48Å
677	T	87.6	Confident	86	Confident	4 Å²	4	38 Å²	38	3%	0.025	20%	0.2	C	C	.	.			trans	-148.6	147.8	-175.9	-173	0	0	0	0	111.3	L675 Q679 L682 A683	L675-T677 HydrophobicContact CD2-CG2 4.18Å; L675-T677 HydrophobicContact CG-CG2 4.07Å; T677-Q679 WeakPolarHBondContact OG1-CB 3.33Å; T677-Q679 PolarHBondContact OG1-N 3.26Å; T677-L682 HydrophobicContact CG2-CB 4.2Å; T677-A683 HydrophobicContact CG2-CB 4.12Å
678	Q	81.3	Confident	86.8	Confident	97 Å²	97	35.4 Å²	35.4	45%	0.453	19%	0.188	S	C	.	.			trans	-97.5	-9.8	165.2	-56	-168.2	6.8	0	0	112	N517 L680	N517-Q678 PolarHBondContact OD1-NE2 2.85Å; Q678-L680 PolarHBondContact O-N 2.91Å
679	Q	79.6	Confident	87.7	Confident	42 Å²	42	35 Å²	35	20%	0.196	19%	0.186	C	C	.	.			trans	-79.8	117.6	-177.5	-64	-179.1	-19.9	0	0	110.4	T647 T677 S681 L682 A683	T647-Q679 PolarHBondContact O-NE2 3.27Å; T677-Q679 WeakPolarHBondContact OG1-CB 3.33Å; T677-Q679 PolarHBondContact OG1-N 3.26Å; Q679-S681 VanDerWaalsContact C-N 3.32Å; Q679-S681 PolarHBondContact O-N 3.29Å; Q679-L682 HydrophobicContact CB-CB 4.44Å; Q679-L682 HydrophobicContact CB-CD1 4.39Å; Q679-L682 HydrophobicContact CB-CG 4.4Å; Q679-L682 PolarHBondContact O-N 3.03Å; Q679-A683 PolarHBondContact O-N 3.36Å
680	L	81	Confident	88.8	Confident	43 Å²	43	31.7 Å²	31.7	23%	0.225	16%	0.159	C	C	.	.	H	α-helix	trans	-56.9	-44.9	-179.8	-177.6	62.9	0	0	0	112.1	Q678 L682 A683 E684 V717	Q678-L680 PolarHBondContact O-N 2.91Å; L680-L682 PolarHBondContact O-N 3.45Å; L680-A683 PolarHBondContact O-N 3Å; L680-A683 VanDerWaalsContact O-N 3.11Å; L680-E684 HydrophobicContact CD1-CG 4.02Å; L680-E684 WeakPolarHBondContact CD2-OE1 3.3Å; L680-E684 HydrophobicContact CG-CG 4.05Å; L680-E684 VanDerWaalsContact CG-OE1 3.26Å; L680-E684 WeakPolarHBondContact CG-OE1 3.18Å; L680-E684 WeakPolarHBondContact O-CB 3.47Å; L680-E684 VanDerWaalsContact O-CG 3.28Å; L680-E684 WeakPolarHBondContact O-CG 3.41Å; L680-E684 PolarHBondContact O-N 3.34Å; L680-V717 HydrophobicContact CD1-CB 4.2Å; L680-V717 HydrophobicContact CD1-CG1 3.86Å; L680-V717 HydrophobicContact CD1-CG2 3.52Å; L680-V717 HydrophobicContact CD2-CG1 3.82Å
681	S	82.2	Confident	89.5	Confident	55 Å²	55	29.3 Å²	29.3	39%	0.385	14%	0.14	S	C	.	.	H	α-helix	trans	-59.2	-31	-177.6	58	0	0	0	0	114.3	Q679	Q679-S681 VanDerWaalsContact C-N 3.32Å; Q679-S681 PolarHBondContact O-N 3.29Å
682	L	84.1	Confident	89.7	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-83.1	-38.4	176.8	-71.9	-176.6	0	0	0	112.2	T647 Q659 Y663 L675 T677 Q679 L680	T647-L682 HydrophobicContact CG2-CD1 4.25Å; T647-L682 WeakPolarHBondContact OG1-CD1 3.44Å; Q659-L682 HydrophobicContact CB-CD2 4.41Å; Q659-L682 HydrophobicContact CG-CD2 4.11Å; Y663-L682 PolarHBondContact OH-O 3.26Å; Y663-L682 VanDerWaalsContact OH-O 3.05Å; L675-L682 HydrophobicContact CD2-CB 3.99Å; T677-L682 HydrophobicContact CG2-CB 4.2Å; Q679-L682 HydrophobicContact CB-CB 4.44Å; Q679-L682 HydrophobicContact CB-CD1 4.39Å; Q679-L682 HydrophobicContact CB-CG 4.4Å; Q679-L682 PolarHBondContact O-N 3.03Å; L680-L682 PolarHBondContact O-N 3.45Å
683	A	86.4	Confident	89.5	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-38.9	175.7	0	0	0	0	0	111.6	A512 V514 T677 Q679 L680 R685 A686 I689	A512-A683 HydrophobicContact CB-CB 4.41Å; V514-A683 HydrophobicContact CG1-CB 3.98Å; T677-A683 HydrophobicContact CG2-CB 4.12Å; Q679-A683 PolarHBondContact O-N 3.36Å; L680-A683 PolarHBondContact O-N 3Å; L680-A683 VanDerWaalsContact O-N 3.11Å; A683-R685 VanDerWaalsContact C-N 3.32Å; A683-R685 PolarHBondContact O-N 3.04Å; A683-A686 VanDerWaalsContact O-CB 3.26Å; A683-A686 WeakPolarHBondContact O-CB 3.36Å; A683-A686 PolarHBondContact O-N 2.96Å; A683-A686 VanDerWaalsContact O-N 3.11Å; A683-I689 VanDerWaalsContact O-CD1 3.23Å; A683-I689 WeakPolarHBondContact O-CD1 3.41Å
684	E	89	Confident	89.3	Confident	83 Å²	83	39 Å²	39	39%	0.388	19%	0.185	S	C	.	.	H	α-helix	trans	-59	-38.6	179.4	-80.9	178	175.5	0	0	113.4	L680 A686 H703	L680-E684 HydrophobicContact CD1-CG 4.02Å; L680-E684 WeakPolarHBondContact CD2-OE1 3.3Å; L680-E684 HydrophobicContact CG-CG 4.05Å; L680-E684 VanDerWaalsContact CG-OE1 3.26Å; L680-E684 WeakPolarHBondContact CG-OE1 3.18Å; L680-E684 WeakPolarHBondContact O-CB 3.47Å; L680-E684 VanDerWaalsContact O-CG 3.28Å; L680-E684 WeakPolarHBondContact O-CG 3.41Å; L680-E684 PolarHBondContact O-N 3.34Å; E684-A686 VanDerWaalsContact C-N 3.31Å; E684-H703 IonicContact OE1-CE1 3.19Å
685	R	89	Confident	89	Confident	104 Å²	104	39 Å²	39	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-8	178.7	-70.1	-177.7	76.5	169.3	-1.5	113.8	Q659 Y663 E664 A683	Q659-R685 VanDerWaalsContact NE2-NH1 3.16Å; Y663-R685 HydrophobicContact CD2-CB 4.47Å; Y663-R685 HydrophobicContact CE1-CB 4.06Å; Y663-R685 WeakPolarHBondContact CE1-O 3.33Å; Y663-R685 HydrophobicContact CE2-CB 3.95Å; E664-R685 IonicContact OE1-NH2 2.73Å; E664-R685 PolarHBondContact OE1-NH2 2.87Å; A683-R685 VanDerWaalsContact C-N 3.32Å; A683-R685 PolarHBondContact O-N 3.04Å
686	A	90.7	Very high	88.9	Confident	7 Å²	7	41.1 Å²	41.1	6%	0.058	20%	0.2	C	C	.	.			trans	-66.4	140.9	-177	0	0	0	0	0	111.2	A512 Y663 A683 E684 H688 I689	A512-A686 HydrophobicContact CB-CB 3.53Å; Y663-A686 WeakPolarHBondContact OH-CA 3.44Å; Y663-A686 PolarHBondContact OH-N 3.24Å; A683-A686 VanDerWaalsContact O-CB 3.26Å; A683-A686 WeakPolarHBondContact O-CB 3.36Å; A683-A686 PolarHBondContact O-N 2.96Å; A683-A686 VanDerWaalsContact O-N 3.11Å; E684-A686 VanDerWaalsContact C-N 3.31Å; A686-H688 PolarHBondContact O-N 3.1Å; A686-I689 HydrophobicContact CB-CG1 4.17Å
687	H	92.2	Very high	88.8	Confident	96 Å²	96	42.7 Å²	42.7	44%	0.444	21%	0.21	S	C	.	.	S	Bend	trans	-67.2	-27.7	178.1	-60.8	89.7	0	0	0	111.7	K509 V510	K509-H687 HydrophobicContact CB-CB 4.29Å; V510-H687 PolarHBondContact N-ND1 2.69Å; V510-H687 PolarHBondContact O-N 2.72Å
688	H	93.7	Very high	89	Confident	41 Å²	41	45.5 Å²	45.5	19%	0.19	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	138.7	177.8	-164.9	52.7	0	0	0	109.7	V510 T511 A512 A686	V510-H688 PolarHBondContact O-N 2.98Å; T511-H688 CarbonylContact C-O 3.47Å; T511-H688 VanDerWaalsContact CA-O 3.23Å; T511-H688 WeakPolarHBondContact CA-O 3.44Å; T511-H688 HydrophobicContact CG2-CB 4.25Å; A512-H688 PolarHBondContact N-O 3.32Å; A686-H688 PolarHBondContact O-N 3.1Å
689	I	94.9	Very high	89.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.2	178.9	-56.7	177.4	0	0	0	108	A512 V514 A683 A686 Q700 G701 H703 L706 Y713	A512-I689 HydrophobicContact CB-CG1 4.37Å; A512-I689 CarbonylContact O-C 3.6Å; A512-I689 WeakPolarHBondContact O-CA 3.47Å; V514-I689 HydrophobicContact CG2-CG2 3.63Å; A683-I689 VanDerWaalsContact O-CD1 3.23Å; A683-I689 WeakPolarHBondContact O-CD1 3.41Å; A686-I689 HydrophobicContact CB-CG1 4.17Å; I689-Q700 VanDerWaalsContact O-CA 3.25Å; I689-Q700 WeakPolarHBondContact O-CA 3.29Å; I689-G701 PolarHBondContact N-O 3.49Å; I689-G701 PolarHBondContact O-N 2.88Å; I689-G701 VanDerWaalsContact O-N 3.13Å; I689-H703 HydrophobicContact CD1-CB 3.91Å; I689-L706 HydrophobicContact CB-CD1 3.72Å; I689-L706 HydrophobicContact CD1-CD1 4.47Å; I689-L706 HydrophobicContact CG2-CD1 3.73Å; I689-Y713 HydrophobicContact CD1-CE2 4.07Å; I689-Y713 WeakPolarHBondContact CD1-OH 3.26Å; I689-Y713 HydrophobicContact CG2-CD2 4.14Å; I689-Y713 HydrophobicContact CG2-CE2 3.9Å
690	L	94.5	Very high	90.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.7	172.9	-60.9	176.3	0	0	0	108.4	F503 T511 A512 L513 V514 V697 Q700	F503-L690 HydrophobicContact CB-CD1 4Å; F503-L690 HydrophobicContact CB-CD2 4.25Å; F503-L690 HydrophobicContact CD1-CD1 4.33Å; F503-L690 HydrophobicContact CD2-CD1 3.43Å; F503-L690 VanDerWaalsContact CD2-CD1 3.43Å; F503-L690 HydrophobicContact CE2-CD1 3.94Å; F503-L690 HydrophobicContact CG-CD1 3.66Å; T511-L690 HydrophobicContact CG2-CD1 3.76Å; T511-L690 HydrophobicContact CG2-CG 3.86Å; A512-L690 PolarHBondContact O-N 2.97Å; L513-L690 WeakPolarHBondContact CA-O 3.34Å; L513-L690 HydrophobicContact CD1-CB 3.74Å; L513-L690 HydrophobicContact CD1-CD1 4.49Å; V514-L690 WeakPolarHBondContact CG2-O 3.19Å; V514-L690 PolarHBondContact N-O 3.06Å; L690-V697 HydrophobicContact CD2-CG1 4.4Å; L690-Q700 HydrophobicContact CD2-CB 3.62Å
691	F	93.7	Very high	90.8	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.7	174.6	-168.2	-84.4	0	0	0	110.2	V514 K693 C698 E699 C712 Y713 M716	V514-F691 HydrophobicContact CG2-CB 4.31Å; V514-F691 HydrophobicContact CG2-CD2 3.78Å; V514-F691 HydrophobicContact CG2-CG 4.45Å; V514-F691 WeakPolarHBondContact O-CA 3.19Å; F691-K693 HydrophobicContact CE1-CB 4.19Å; F691-C698 HydrophobicContact CD1-CB 4.33Å; F691-C698 PolarHBondContact O-N 2.92Å; F691-E699 HydrophobicContact CB-CB 4.08Å; F691-E699 PolarHBondContact N-O 3.35Å; F691-C712 HydrophobicContact CD1-CB 3.84Å; F691-C712 HydrophobicContact CE1-CB 3.38Å; F691-C712 HydrophobicContact CE2-CB 4.35Å; F691-C712 HydrophobicContact CG-CB 4.49Å; F691-C712 HydrophobicContact CZ-CB 3.68Å; F691-Y713 HydrophobicContact CD2-CD2 4.17Å; F691-M716 HydrophobicContact CE2-CB 4.05Å; F691-M716 HydrophobicContact CE2-CE 4.44Å; F691-M716 HydrophobicContact CE2-SD 3.81Å
692	L	93.1	Very high	91.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.1	-177.1	-167.7	76.9	0	0	0	110.8	L501 L513 V514 P516 S519 K521 S696 V697	L501-L692 HydrophobicContact CD1-CD1 3.48Å; L501-L692 VanDerWaalsContact CD1-CD1 3.48Å; L513-L692 HydrophobicContact CD1-CB 3.98Å; V514-L692 PolarHBondContact O-N 3.48Å; P516-L692 WeakPolarHBondContact CD-O 3.44Å; S519-L692 VanDerWaalsContact CB-O 3.24Å; S519-L692 WeakPolarHBondContact CB-O 3.49Å; S519-L692 WeakPolarHBondContact O-CD2 3.42Å; S519-L692 WeakPolarHBondContact O-CG 3.48Å; S519-L692 PolarHBondContact OG-O 3.28Å; K521-L692 HydrophobicContact CG-CD2 4Å; L692-S696 WeakPolarHBondContact CA-O 3.36Å; L692-S696 WeakPolarHBondContact CD1-O 3.5Å; L692-V697 HydrophobicContact CD1-CG2 4.27Å
693	K	91.1	Very high	91.7	Very high	83 Å²	83	43.9 Å²	43.9	36%	0.361	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.2	174.6	-172	-177.8	174.5	-177.6	0	109.1	F691 G695 S696 C698	F691-K693 HydrophobicContact CE1-CB 4.19Å; K693-G695 PolarHBondContact O-N 2.94Å; K693-S696 PolarHBondContact N-O 3.49Å; K693-S696 PolarHBondContact O-N 3.4Å; K693-S696 VanDerWaalsContact O-O 3.1Å; K693-S696 PolarHBondContact O-OG 2.86Å; K693-C698 VanDerWaalsContact CB-SG 3.51Å
694	E	88.8	Confident	92	Very high	146 Å²	146	49.5 Å²	49.5	68%	0.682	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	36	176.8	-65.9	166.4	-148.6	0	0	113.5	S696	E694-S696 PolarHBondContact O-N 3Å
695	G	88.5	Confident	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	3.9	177.7	0	0	0	0	0	116.3	V497 Q499 S519 K693	V497-G695 WeakPolarHBondContact O-CA 3.44Å; Q499-G695 PolarHBondContact N-O 2.92Å; S519-G695 WeakPolarHBondContact O-CA 3.32Å; S519-G695 PolarHBondContact O-N 3.31Å; S519-G695 VanDerWaalsContact O-N 3.16Å; K693-G695 PolarHBondContact O-N 2.94Å
696	S	92.1	Very high	92.3	Very high	45 Å²	45	45 Å²	45	32%	0.315	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.1	178.7	69.7	0	0	0	0	112	L692 K693 E694 C698	L692-S696 WeakPolarHBondContact CA-O 3.36Å; L692-S696 WeakPolarHBondContact CD1-O 3.5Å; K693-S696 PolarHBondContact N-O 3.49Å; K693-S696 PolarHBondContact O-N 3.4Å; K693-S696 VanDerWaalsContact O-O 3.1Å; K693-S696 PolarHBondContact O-OG 2.86Å; E694-S696 PolarHBondContact O-N 3Å; S696-C698 PolarHBondContact O-N 3.43Å
697	V	92.1	Very high	92.4	Very high	36 Å²	36	46.8 Å²	46.8	22%	0.218	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	111.6	173.6	172.4	0	0	0	0	108.2	L501 F503 L690 L692 Q700	L501-V697 HydrophobicContact CD1-CG2 3.63Å; F503-V697 HydrophobicContact CD1-CG2 4.35Å; L690-V697 HydrophobicContact CD2-CG1 4.4Å; L692-V697 HydrophobicContact CD1-CG2 4.27Å; V697-Q700 HydrophobicContact CG1-CB 4.36Å
698	C	91.1	Very high	92.4	Very high	62 Å²	62	49.9 Å²	49.9	42%	0.419	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-41.6	176.8	-65.1	0	0	0	0	111.9	F691 K693 S696	F691-C698 HydrophobicContact CD1-CB 4.33Å; F691-C698 PolarHBondContact O-N 2.92Å; K693-C698 VanDerWaalsContact CB-SG 3.51Å; S696-C698 PolarHBondContact O-N 3.43Å
699	E	92.6	Very high	92.2	Very high	29 Å²	29	55.2 Å²	55.2	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.5	-174.7	-71.3	167.2	-144	0	0	110.7	F691 L706 G711 C712 Y713	F691-E699 HydrophobicContact CB-CB 4.08Å; F691-E699 PolarHBondContact N-O 3.35Å; E699-L706 HydrophobicContact CB-CD2 3.82Å; E699-G711 WeakPolarHBondContact OE1-CA 3.39Å; E699-C712 PolarHBondContact OE1-N 3.41Å; E699-Y713 PolarHBondContact OE2-N 3.35Å
700	Q	93.5	Very high	91.8	Very high	92 Å²	92	57.2 Å²	57.2	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.7	174.1	63	-178.2	10.3	0	0	110.7	I689 L690 V697 R709	I689-Q700 VanDerWaalsContact O-CA 3.25Å; I689-Q700 WeakPolarHBondContact O-CA 3.29Å; L690-Q700 HydrophobicContact CD2-CB 3.62Å; V697-Q700 HydrophobicContact CG1-CB 4.36Å; Q700-R709 PolarHBondContact O-NH1 3.25Å
701	G	93	Very high	91.6	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-170.1	-176.6	0	0	0	0	0	113	I689	I689-G701 PolarHBondContact N-O 3.49Å; I689-G701 PolarHBondContact O-N 2.88Å; I689-G701 VanDerWaalsContact O-N 3.13Å
702	T	93.5	Very high	91.4	Very high	49 Å²	49	59.7 Å²	59.7	30%	0.301	31%	0.313	S	S	.	.			trans	-82.5	163.9	164.3	64.4	0	0	0	0	110.3	L704 Q705 L706	T702-L704 VanDerWaalsContact C-N 3.3Å; T702-L704 PolarHBondContact O-N 2.96Å; T702-Q705 VanDerWaalsContact N-OE1 3.14Å; T702-Q705 PolarHBondContact O-N 2.92Å; T702-Q705 VanDerWaalsContact O-N 3.16Å; T702-Q705 VanDerWaalsContact OG1-CG 3.26Å; T702-Q705 WeakPolarHBondContact OG1-CG 3.24Å; T702-Q705 PolarHBondContact OG1-N 3.47Å; T702-L706 WeakPolarHBondContact O-CG 3.25Å; T702-L706 PolarHBondContact O-N 2.8Å
703	H	92.1	Very high	91.3	Very high	35 Å²	35	59.7 Å²	59.7	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-49.4	-51	175.8	173.3	71.5	0	0	0	112.1	E684 I689 Q705 L706 M707 Y713	E684-H703 IonicContact OE1-CE1 3.19Å; I689-H703 HydrophobicContact CD1-CB 3.91Å; H703-Q705 PolarHBondContact O-N 2.7Å; H703-L706 PolarHBondContact O-N 2.82Å; H703-M707 VanDerWaalsContact O-CG 3.31Å; H703-M707 WeakPolarHBondContact O-CG 3.46Å; H703-M707 PolarHBondContact O-N 2.98Å; H703-Y713 AromaticContact ND1-CE1 3.47Å; H703-Y713 WeakPolarHBondContact ND1-CE1 3.28Å; H703-Y713 AromaticContact ND1-CZ 3.62Å; H703-Y713 PolarHBondContact ND1-OH 3.4Å
704	L	92.5	Very high	91.3	Very high	120 Å²	120	60.5 Å²	60.5	63%	0.628	31%	0.314	S	S	*	.	H	α-helix	trans	-59.6	-45.8	179.3	-64	175.4	0	0	0	112.4	T702 L706 M707 E708	T702-L704 VanDerWaalsContact C-N 3.3Å; T702-L704 PolarHBondContact O-N 2.96Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 3.4Å; L704-M707 PolarHBondContact O-N 3.41Å; L704-E708 WeakPolarHBondContact O-CB 3.32Å; L704-E708 WeakPolarHBondContact O-CG 3.47Å; L704-E708 PolarHBondContact O-N 2.96Å
705	Q	93.5	Very high	91.3	Very high	91 Å²	91	57 Å²	57	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-37	179	-72.2	171.6	-6	0	0	112.6	T702 H703 R709	T702-Q705 VanDerWaalsContact N-OE1 3.14Å; T702-Q705 PolarHBondContact O-N 2.92Å; T702-Q705 VanDerWaalsContact O-N 3.16Å; T702-Q705 VanDerWaalsContact OG1-CG 3.26Å; T702-Q705 WeakPolarHBondContact OG1-CG 3.24Å; T702-Q705 PolarHBondContact OG1-N 3.47Å; H703-Q705 PolarHBondContact O-N 2.7Å; Q705-R709 VanDerWaalsContact O-CG 3.26Å; Q705-R709 WeakPolarHBondContact O-CG 3.12Å; Q705-R709 PolarHBondContact O-N 3.13Å
706	L	91.8	Very high	91.3	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-75.1	-36.1	179.2	-67	-176.8	0	0	0	112.1	I689 E699 T702 H703 L704 R709 Y713	I689-L706 HydrophobicContact CB-CD1 3.72Å; I689-L706 HydrophobicContact CD1-CD1 4.47Å; I689-L706 HydrophobicContact CG2-CD1 3.73Å; E699-L706 HydrophobicContact CB-CD2 3.82Å; T702-L706 WeakPolarHBondContact O-CG 3.25Å; T702-L706 PolarHBondContact O-N 2.8Å; H703-L706 PolarHBondContact O-N 2.82Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 3.4Å; L706-R709 PolarHBondContact O-N 2.93Å; L706-Y713 HydrophobicContact CB-CD1 3.4Å; L706-Y713 VanDerWaalsContact CB-CD1 3.4Å; L706-Y713 HydrophobicContact CB-CE1 4.05Å; L706-Y713 HydrophobicContact CB-CG 3.87Å; L706-Y713 HydrophobicContact CD1-CD1 4.07Å; L706-Y713 HydrophobicContact CD1-CD2 4.14Å; L706-Y713 HydrophobicContact CD1-CG 3.84Å; L706-Y713 HydrophobicContact CG-CD1 4.39Å; L706-Y713 HydrophobicContact CG-CG 4.5Å
707	M	92	Very high	91.1	Very high	46 Å²	46	57.3 Å²	57.3	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-39.7	174.2	-69.2	-59.2	-71.3	0	0	112.3	H703 L704 G710 Y713 R714 V717	H703-M707 VanDerWaalsContact O-CG 3.31Å; H703-M707 WeakPolarHBondContact O-CG 3.46Å; H703-M707 PolarHBondContact O-N 2.98Å; L704-M707 PolarHBondContact O-N 3.41Å; M707-G710 PolarHBondContact O-N 3.43Å; M707-Y713 HydrophobicContact CG-CE1 4.17Å; M707-Y713 HydrophobicContact SD-CD1 4.08Å; M707-Y713 HydrophobicContact SD-CE1 3.95Å; M707-R714 HydrophobicContact CE-CG 3.99Å; M707-R714 PolarHBondContact O-NH1 3.29Å; M707-R714 HydrophobicContact SD-CB 4.12Å; M707-R714 HydrophobicContact SD-CG 4.13Å; M707-V717 HydrophobicContact CE-CB 4.41Å; M707-V717 HydrophobicContact CE-CG1 4.06Å; M707-V717 HydrophobicContact SD-CB 4.03Å; M707-V717 HydrophobicContact SD-CG1 4.12Å; M707-V717 HydrophobicContact SD-CG2 3.95Å
708	E	91.9	Very high	90.9	Very high	160 Å²	160	60 Å²	60	75%	0.748	31%	0.313	S	S	*	.	H	α-helix	trans	-65.8	-37.6	175.9	-76.1	174.7	179.3	0	0	112.7	L704 G710	L704-E708 WeakPolarHBondContact O-CB 3.32Å; L704-E708 WeakPolarHBondContact O-CG 3.47Å; L704-E708 PolarHBondContact O-N 2.96Å; E708-G710 PolarHBondContact O-N 2.85Å
709	R	90.9	Very high	90.6	Very high	154 Å²	154	60.6 Å²	60.6	58%	0.581	32%	0.322	S	S	*	.	H	α-helix	trans	-65.6	-21.8	178.3	-79	175.6	-177	171.7	6.1	113.8	Q700 Q705 L706 G711	Q700-R709 PolarHBondContact O-NH1 3.25Å; Q705-R709 VanDerWaalsContact O-CG 3.26Å; Q705-R709 WeakPolarHBondContact O-CG 3.12Å; Q705-R709 PolarHBondContact O-N 3.13Å; L706-R709 PolarHBondContact O-N 2.93Å; R709-G711 VanDerWaalsContact C-N 3.29Å; R709-G711 PolarHBondContact O-N 3.33Å
710	G	86.2	Confident	89.9	Confident	42 Å²	42	64 Å²	64	43%	0.433	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	26.7	178.7	0	0	0	0	0	114.6	M707 E708	M707-G710 PolarHBondContact O-N 3.43Å; E708-G710 PolarHBondContact O-N 2.85Å
711	G	90.5	Very high	89	Confident	19 Å²	19	63.2 Å²	63.2	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-88.6	-160.7	-174.9	0	0	0	0	0	115.2	E699 R709 Y713 R714 S715	E699-G711 WeakPolarHBondContact OE1-CA 3.39Å; R709-G711 VanDerWaalsContact C-N 3.29Å; R709-G711 PolarHBondContact O-N 3.33Å; G711-Y713 PolarHBondContact O-N 3.1Å; G711-R714 WeakPolarHBondContact O-CB 3.38Å; G711-R714 PolarHBondContact O-N 3.18Å; G711-R714 VanDerWaalsContact O-N 3.13Å; G711-S715 PolarHBondContact O-N 2.93Å; G711-S715 PolarHBondContact O-OG 3.39Å
712	C	89.5	Confident	87.7	Confident	42 Å²	42	65.9 Å²	65.9	28%	0.284	37%	0.372	S	S	.	.	H	α-helix	trans	-58.4	-34.6	179.5	-62.5	0	0	0	0	112.6	F691 E699 S715 M716	F691-C712 HydrophobicContact CD1-CB 3.84Å; F691-C712 HydrophobicContact CE1-CB 3.38Å; F691-C712 HydrophobicContact CE2-CB 4.35Å; F691-C712 HydrophobicContact CG-CB 4.49Å; F691-C712 HydrophobicContact CZ-CB 3.68Å; E699-C712 PolarHBondContact OE1-N 3.41Å; C712-S715 PolarHBondContact O-N 3.23Å; C712-M716 PolarHBondContact O-N 3.49Å
713	Y	90.4	Very high	85.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-61	-48.9	175.9	177.7	-100.5	0	0	0	110.8	V514 I689 F691 E699 H703 L706 M707 G711 S715 M716 V717	V514-Y713 HydrophobicContact CG2-CD2 3.93Å; V514-Y713 HydrophobicContact CG2-CE2 4.12Å; I689-Y713 HydrophobicContact CD1-CE2 4.07Å; I689-Y713 WeakPolarHBondContact CD1-OH 3.26Å; I689-Y713 HydrophobicContact CG2-CD2 4.14Å; I689-Y713 HydrophobicContact CG2-CE2 3.9Å; F691-Y713 HydrophobicContact CD2-CD2 4.17Å; E699-Y713 PolarHBondContact OE2-N 3.35Å; H703-Y713 AromaticContact ND1-CE1 3.47Å; H703-Y713 WeakPolarHBondContact ND1-CE1 3.28Å; H703-Y713 AromaticContact ND1-CZ 3.62Å; H703-Y713 PolarHBondContact ND1-OH 3.4Å; L706-Y713 HydrophobicContact CB-CD1 3.4Å; L706-Y713 VanDerWaalsContact CB-CD1 3.4Å; L706-Y713 HydrophobicContact CB-CE1 4.05Å; L706-Y713 HydrophobicContact CB-CG 3.87Å; L706-Y713 HydrophobicContact CD1-CD1 4.07Å; L706-Y713 HydrophobicContact CD1-CD2 4.14Å; L706-Y713 HydrophobicContact CD1-CG 3.84Å; L706-Y713 HydrophobicContact CG-CD1 4.39Å; L706-Y713 HydrophobicContact CG-CG 4.5Å; M707-Y713 HydrophobicContact CG-CE1 4.17Å; M707-Y713 HydrophobicContact SD-CD1 4.08Å; M707-Y713 HydrophobicContact SD-CE1 3.95Å; G711-Y713 PolarHBondContact O-N 3.1Å; Y713-S715 VanDerWaalsContact C-N 3.35Å; Y713-S715 PolarHBondContact O-N 3.24Å; Y713-M716 HydrophobicContact CD2-CE 4.03Å; Y713-M716 HydrophobicContact CE2-CE 4.01Å; Y713-M716 WeakPolarHBondContact O-CB 3.47Å; Y713-M716 PolarHBondContact O-N 3.07Å; Y713-M716 VanDerWaalsContact O-N 3.12Å; Y713-V717 HydrophobicContact CD1-CG2 4.03Å; Y713-V717 HydrophobicContact CE1-CG2 3.64Å; Y713-V717 HydrophobicContact CE2-CG2 4.2Å; Y713-V717 HydrophobicContact CG-CG2 4.49Å; Y713-V717 WeakPolarHBondContact O-CG2 3.47Å; Y713-V717 PolarHBondContact O-N 3.48Å
714	R	91	Very high	83.5	Confident	101 Å²	101	72.7 Å²	72.7	38%	0.381	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-44.8	178	-178.8	-179.3	177.9	154.9	-5.3	111.6	M707 G711 M716 V717 E718	M707-R714 HydrophobicContact CE-CG 3.99Å; M707-R714 PolarHBondContact O-NH1 3.29Å; M707-R714 HydrophobicContact SD-CB 4.12Å; M707-R714 HydrophobicContact SD-CG 4.13Å; G711-R714 WeakPolarHBondContact O-CB 3.38Å; G711-R714 PolarHBondContact O-N 3.18Å; G711-R714 VanDerWaalsContact O-N 3.13Å; R714-M716 VanDerWaalsContact C-N 3.26Å; R714-M716 PolarHBondContact O-N 2.91Å; R714-V717 PolarHBondContact O-N 2.92Å; R714-V717 VanDerWaalsContact O-N 3.1Å; R714-E718 HydrophobicContact CG-CG 4.2Å; R714-E718 IonicContact CZ-OE1 3.42Å; R714-E718 IonicContact NE-OE1 3.11Å; R714-E718 PolarHBondContact NE-OE1 3.36Å; R714-E718 IonicContact NH2-OE1 2.98Å; R714-E718 PolarHBondContact NH2-OE1 3.07Å; R714-E718 WeakPolarHBondContact O-CB 3.41Å; R714-E718 WeakPolarHBondContact O-CG 3.48Å; R714-E718 PolarHBondContact O-N 2.84Å
715	S	88.7	Confident	80.6	Confident	71 Å²	71	77.5 Å²	77.5	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-59.5	-37.5	176.7	-54.1	0	0	0	0	112.5	G711 C712 Y713 A719	G711-S715 PolarHBondContact O-N 2.93Å; G711-S715 PolarHBondContact O-OG 3.39Å; C712-S715 PolarHBondContact O-N 3.23Å; Y713-S715 VanDerWaalsContact C-N 3.35Å; Y713-S715 PolarHBondContact O-N 3.24Å; S715-A719 WeakPolarHBondContact O-CB 3.49Å; S715-A719 PolarHBondContact O-N 3.31Å
716	M	87.5	Confident	80	Confident	42 Å²	42	76.9 Å²	76.9	21%	0.207	45%	0.451	C	S	.	.	H	α-helix	trans	-66.7	-43.2	173.8	-175.8	-167.6	74.4	0	0	111.5	V514 F691 C712 Y713 R714 A719 L720	V514-M716 HydrophobicContact CB-CE 4.06Å; V514-M716 HydrophobicContact CB-SD 4.44Å; V514-M716 HydrophobicContact CG2-CE 4.25Å; F691-M716 HydrophobicContact CE2-CB 4.05Å; F691-M716 HydrophobicContact CE2-CE 4.44Å; F691-M716 HydrophobicContact CE2-SD 3.81Å; C712-M716 PolarHBondContact O-N 3.49Å; Y713-M716 HydrophobicContact CD2-CE 4.03Å; Y713-M716 HydrophobicContact CE2-CE 4.01Å; Y713-M716 WeakPolarHBondContact O-CB 3.47Å; Y713-M716 PolarHBondContact O-N 3.07Å; Y713-M716 VanDerWaalsContact O-N 3.12Å; R714-M716 VanDerWaalsContact C-N 3.26Å; R714-M716 PolarHBondContact O-N 2.91Å; M716-A719 PolarHBondContact O-N 2.98Å; M716-L720 HydrophobicContact CG-CD1 4.04Å; M716-L720 WeakPolarHBondContact O-CB 3.13Å; M716-L720 VanDerWaalsContact O-CG 3.27Å; M716-L720 WeakPolarHBondContact O-CG 3.43Å; M716-L720 PolarHBondContact O-N 3.46Å
717	V	88.3	Confident	79.4	Confident	11 Å²	11	80.9 Å²	80.9	7%	0.067	47%	0.474	C	S	.	.	H	α-helix	trans	-62.1	-46.9	176.9	176.2	0	0	0	0	111.1	L680 M707 Y713 R714 L720 A721	L680-V717 HydrophobicContact CD1-CB 4.2Å; L680-V717 HydrophobicContact CD1-CG1 3.86Å; L680-V717 HydrophobicContact CD1-CG2 3.52Å; L680-V717 HydrophobicContact CD2-CG1 3.82Å; M707-V717 HydrophobicContact CE-CB 4.41Å; M707-V717 HydrophobicContact CE-CG1 4.06Å; M707-V717 HydrophobicContact SD-CB 4.03Å; M707-V717 HydrophobicContact SD-CG1 4.12Å; M707-V717 HydrophobicContact SD-CG2 3.95Å; Y713-V717 HydrophobicContact CD1-CG2 4.03Å; Y713-V717 HydrophobicContact CE1-CG2 3.64Å; Y713-V717 HydrophobicContact CE2-CG2 4.2Å; Y713-V717 HydrophobicContact CG-CG2 4.49Å; Y713-V717 WeakPolarHBondContact O-CG2 3.47Å; Y713-V717 PolarHBondContact O-N 3.48Å; R714-V717 PolarHBondContact O-N 2.92Å; R714-V717 VanDerWaalsContact O-N 3.1Å; V717-L720 PolarHBondContact O-N 2.92Å; V717-A721 WeakPolarHBondContact O-CB 3.29Å; V717-A721 PolarHBondContact O-N 3.29Å
718	E	88	Confident	78.7	Confident	92 Å²	92	82.8 Å²	82.8	43%	0.43	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-40.5	178.6	-71.9	174.9	167.6	0	0	111.7	R714 L720 A721 A722	R714-E718 HydrophobicContact CG-CG 4.2Å; R714-E718 IonicContact CZ-OE1 3.42Å; R714-E718 IonicContact NE-OE1 3.11Å; R714-E718 PolarHBondContact NE-OE1 3.36Å; R714-E718 IonicContact NH2-OE1 2.98Å; R714-E718 PolarHBondContact NH2-OE1 3.07Å; R714-E718 WeakPolarHBondContact O-CB 3.41Å; R714-E718 WeakPolarHBondContact O-CG 3.48Å; R714-E718 PolarHBondContact O-N 2.84Å; E718-L720 VanDerWaalsContact C-N 3.32Å; E718-L720 PolarHBondContact O-N 2.83Å; E718-A721 PolarHBondContact O-N 3.38Å; E718-A722 PolarHBondContact O-N 3.22Å
719	A	85.3	Confident	77.9	Confident	75 Å²	75	78.3 Å²	78.3	62%	0.62	47%	0.473	S	S	*	.	H	α-helix	trans	-65.5	-33.5	175.5	0	0	0	0	0	113	S715 M716	S715-A719 WeakPolarHBondContact O-CB 3.49Å; S715-A719 PolarHBondContact O-N 3.31Å; M716-A719 PolarHBondContact O-N 2.98Å
720	L	78.1	Confident	77.1	Confident	101 Å²	101	73.6 Å²	73.6	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-78.8	-24.5	175.3	-72	169.4	0	0	0	112.9	M716 V717 E718	M716-L720 HydrophobicContact CG-CD1 4.04Å; M716-L720 WeakPolarHBondContact O-CB 3.13Å; M716-L720 VanDerWaalsContact O-CG 3.27Å; M716-L720 WeakPolarHBondContact O-CG 3.43Å; M716-L720 PolarHBondContact O-N 3.46Å; V717-L720 PolarHBondContact O-N 2.92Å; E718-L720 VanDerWaalsContact C-N 3.32Å; E718-L720 PolarHBondContact O-N 2.83Å
721	A	73.8	Confident	76.5	Confident	74 Å²	74	75.7 Å²	75.7	61%	0.612	47%	0.468	S	S	*	.	H	α-helix	trans	-87	-18.7	177.6	0	0	0	0	0	113.2	V717 E718	V717-A721 WeakPolarHBondContact O-CB 3.29Å; V717-A721 PolarHBondContact O-N 3.29Å; E718-A721 PolarHBondContact O-N 3.38Å
722	A	66.9	Low	75.5	Confident	59 Å²	59	79.7 Å²	79.7	49%	0.488	49%	0.488	S	S	.	.	S	Bend	trans	-64.2	130.1	175.1	0	0	0	0	0	110	E718 S724	E718-A722 PolarHBondContact O-N 3.22Å; A722-S724 PolarHBondContact O-N 3.41Å
723	P	46.5	Very low	74.4	Confident	104 Å²	104	82.6 Å²	82.6	68%	0.675	50%	0.503	S	S	*	.			trans	-58.4	132.1	173.1	24	-30.7	0	0	0	109.1	D725	P723-D725 PolarHBondContact O-N 3.44Å
724	S	50.4	Low	73	Confident	122 Å²	122	89.5 Å²	89.5	85%	0.853	55%	0.545	S	S	*	.			trans	-67.4	95.8	168.7	53.6	0	0	0	0	108.3	A722	A722-S724 PolarHBondContact O-N 3.41Å
725	D	32	Very low	71.4	Confident	222 Å²	222	88.5 Å²	88.5	100%	1.187	56%	0.56	S	S	*	*			trans	-67.3	0	172.2	-76.1	-20.5	0	0	0	112.6	P723	P723-D725 PolarHBondContact O-N 3.44Å

Retrieved 725 of 725 residues in 693.4 ms (Link to these results)

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