A0A5K4FAC4_SCHMA Loading...

DUF1741 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 769 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	31.3	Very low	251 Å²	251	137.3 Å²	137.3	100%	1.236	82%	0.815	S	S	*	*				0	113.6	0	-96.2	175.7	-178	0	0	107.7
2	V	30.5	Very low	31	Very low	150 Å²	150	146 Å²	146	91%	0.909	82%	0.823	S	S	*	*			trans	-87.9	129.7	-178.6	171.5	0	0	0	0	108.7
3	A	34.3	Very low	31.1	Very low	91 Å²	91	149.2 Å²	149.2	75%	0.752	82%	0.823	S	S	*	*			trans	175.6	142.8	146.5	0	0	0	0	0	108.5
4	T	34.2	Very low	31.1	Very low	130 Å²	130	153.1 Å²	153.1	80%	0.798	83%	0.827	S	S	*	*			cis	-165.6	144	-16.8	-79	0	0	0	0	104.8
5	V	28.8	Very low	31.1	Very low	125 Å²	125	151.3 Å²	151.3	76%	0.758	82%	0.824	S	S	*	*			trans	-61.2	133.2	177.6	171.4	0	0	0	0	112.5
6	M	30.7	Very low	31.3	Very low	181 Å²	181	148.8 Å²	148.8	89%	0.892	82%	0.817	S	S	*	*			trans	-140.3	97.9	143	-77.7	-162.1	85.4	0	0	109.8	V8	M6-V8 PolarHBondContact O-N 3.17Å
7	S	28.2	Very low	31.2	Very low	91 Å²	91	152.8 Å²	152.8	64%	0.636	83%	0.825	S	S	*	*			trans	-67.1	113.1	162.1	167.7	0	0	0	0	108.7	V9	S7-V9 PolarHBondContact O-N 3.33Å
8	V	32.9	Very low	31.6	Very low	136 Å²	136	148.6 Å²	148.6	82%	0.824	82%	0.823	S	S	*	*			trans	-83.2	87	167.3	179.9	0	0	0	0	107.3	M6 G10	M6-V8 PolarHBondContact O-N 3.17Å; V8-G10 VanDerWaalsContact C-N 3.27Å; V8-G10 PolarHBondContact O-N 2.84Å
9	V	30.4	Very low	32	Very low	121 Å²	121	146.2 Å²	146.2	73%	0.733	82%	0.817	S	S	*	*			trans	-69.8	93.1	158.8	176	0	0	0	0	106.4	S7 E11	S7-V9 PolarHBondContact O-N 3.33Å; V9-E11 PolarHBondContact O-N 3.08Å
10	G	33.1	Very low	32.7	Very low	59 Å²	59	147.9 Å²	147.9	61%	0.608	82%	0.824	S	S	*	*			trans	-62.5	116.7	170.4	0	0	0	0	0	109.7	V8 R12	V8-G10 VanDerWaalsContact C-N 3.27Å; V8-G10 PolarHBondContact O-N 2.84Å; G10-R12 PolarHBondContact O-N 3.36Å; G10-R12 VanDerWaalsContact O-N 3.11Å
11	E	28.5	Very low	34.1	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	81%	0.805	S	S	*	*			trans	-48.1	114.2	174.4	-68.3	-178.9	133.6	0	0	111.1	V9 K13	V9-E11 PolarHBondContact O-N 3.08Å; E11-K13 PolarHBondContact O-N 2.88Å
12	R	27.7	Very low	36.3	Very low	242 Å²	242	138.8 Å²	138.8	91%	0.913	77%	0.771	S	S	*	*			trans	-65.2	90.5	159.5	-76.3	179.8	176.4	169.9	-1.3	107.7	G10 K14	G10-R12 PolarHBondContact O-N 3.36Å; G10-R12 VanDerWaalsContact O-N 3.11Å; R12-K14 PolarHBondContact O-N 2.95Å
13	K	32.7	Very low	38.8	Very low	188 Å²	188	137 Å²	137	82%	0.817	75%	0.75	S	S	*	*			trans	-53.9	108.4	160	-87.7	-177.7	176.3	175.8	0	107.5	E11 T15	E11-K13 PolarHBondContact O-N 2.88Å; K13-T15 PolarHBondContact O-N 3.03Å
14	K	30	Very low	41.3	Very low	203 Å²	203	132.9 Å²	132.9	88%	0.883	72%	0.716	S	S	*	*			trans	-55.8	108.4	166.5	-76.5	176.6	175.7	173.8	0	107.4	R12	R12-K14 PolarHBondContact O-N 2.95Å
15	T	31.9	Very low	43.8	Very low	127 Å²	127	127.9 Å²	127.9	78%	0.779	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-60.2	133.1	163.7	28.5	0	0	0	0	108.4	K13 K17	K13-T15 PolarHBondContact O-N 3.03Å; T15-K17 PolarHBondContact O-N 2.97Å
16	P	34.4	Very low	46.6	Very low	111 Å²	111	126.4 Å²	126.4	72%	0.721	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-63.5	130.8	176.9	27.4	-31.6	0	0	0	108.3	G18	P16-G18 PolarHBondContact O-N 3.27Å; P16-G18 VanDerWaalsContact O-N 3.17Å
17	K	29.7	Very low	49.4	Very low	216 Å²	216	118.5 Å²	118.5	94%	0.939	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	118.1	170	-78.8	176.9	171.2	179.8	0	108.8	T15	T15-K17 PolarHBondContact O-N 2.97Å
18	G	38.7	Very low	52.4	Low	77 Å²	77	114.2 Å²	114.2	79%	0.794	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.3	35.9	153.1	0	0	0	0	0	119.1	P16	P16-G18 PolarHBondContact O-N 3.27Å; P16-G18 VanDerWaalsContact O-N 3.17Å
19	S	38.9	Very low	55.1	Low	103 Å²	103	109.5 Å²	109.5	72%	0.72	57%	0.571	S	S	*	*			trans	-82.3	113.9	159	62.1	0	0	0	0	109.5	K21	S19-K21 PolarHBondContact O-N 3.04Å
20	L	45.8	Very low	58	Low	180 Å²	180	106.7 Å²	106.7	94%	0.942	55%	0.549	S	S	*	.			trans	-58	101.8	171.9	-80.7	156.2	0	0	0	109.1
21	K	61.8	Low	60.8	Low	97 Å²	97	104 Å²	104	42%	0.422	52%	0.521	S	S	.	.			trans	-81.3	128.7	175.8	-144.2	179.2	-177.1	-170.5	0	107.8	S19 L25 Q26 D29	S19-K21 PolarHBondContact O-N 3.04Å; K21-L25 HydrophobicContact CD-CB 4.47Å; K21-L25 HydrophobicContact CG-CB 4.14Å; K21-L25 HydrophobicContact CG-CD1 4.17Å; K21-Q26 HydrophobicContact CB-CG 4.19Å; K21-Q26 PolarHBondContact O-NE2 3.43Å; K21-D29 IonicContact NZ-OD1 2.94Å; K21-D29 PolarHBondContact NZ-OD1 2.69Å; K21-D29 IonicContact NZ-OD2 3.03Å; K21-D29 PolarHBondContact NZ-OD2 3.08Å
22	E	78.6	Confident	63.7	Low	112 Å²	112	96.8 Å²	96.8	52%	0.523	49%	0.486	S	S	.	.			trans	-49.4	140.9	179	-64.3	174.8	165.4	0	0	111.1	V24 L25 Q26	E22-V24 HydrophobicContact CB-CG1 4.33Å; E22-V24 PolarHBondContact O-N 3.29Å; E22-V24 VanDerWaalsContact O-N 3.16Å; E22-L25 HydrophobicContact CB-CD1 3.89Å; E22-L25 HydrophobicContact CB-CG 3.94Å; E22-L25 HydrophobicContact CG-CD1 4.23Å; E22-L25 WeakPolarHBondContact O-CB 3.42Å; E22-L25 PolarHBondContact O-N 3.25Å; E22-Q26 PolarHBondContact O-N 3.09Å
23	K	83.5	Confident	66.6	Low	111 Å²	111	90.9 Å²	90.9	48%	0.483	47%	0.469	S	S	.	.	H	α-helix	trans	-53.9	-40	-175.8	-171.3	178.7	174	-167	0	111.4	L25 Q26 V27 D47 L51	K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.44Å; K23-Q26 PolarHBondContact O-N 3.06Å; K23-V27 WeakPolarHBondContact O-CG2 3.36Å; K23-V27 PolarHBondContact O-N 2.6Å; K23-D47 IonicContact NZ-OD2 3.78Å; K23-D47 PolarHBondContact NZ-OD2 2.78Å; K23-L51 HydrophobicContact CB-CD1 4.1Å; K23-L51 HydrophobicContact CD-CD1 4.13Å; K23-L51 HydrophobicContact CG-CD1 4.1Å
24	V	86	Confident	69.1	Low	6 Å²	6	83 Å²	83	4%	0.036	44%	0.441	C	S	.	.	H	α-helix	trans	-62.8	-38.4	178.6	77.4	0	0	0	0	112.5	E22 Q26 V27 Y28 F48 L51 N54	E22-V24 HydrophobicContact CB-CG1 4.33Å; E22-V24 PolarHBondContact O-N 3.29Å; E22-V24 VanDerWaalsContact O-N 3.16Å; V24-Q26 VanDerWaalsContact C-N 3.34Å; V24-Q26 PolarHBondContact O-N 3.31Å; V24-V27 WeakPolarHBondContact O-CB 3.37Å; V24-V27 PolarHBondContact O-N 3.32Å; V24-Y28 HydrophobicContact CG2-CE1 3.93Å; V24-Y28 HydrophobicContact CG2-CE2 3.94Å; V24-Y28 WeakPolarHBondContact CG2-OH 3.42Å; V24-Y28 PolarHBondContact O-N 2.94Å; V24-F48 HydrophobicContact CG2-CE2 4.24Å; V24-L51 HydrophobicContact CB-CB 4.37Å; V24-L51 HydrophobicContact CB-CD1 4.19Å; V24-N54 HydrophobicContact CG1-CB 4.26Å
25	L	87.9	Confident	71.8	Confident	24 Å²	24	77.6 Å²	77.6	13%	0.126	42%	0.419	C	S	.	.	H	α-helix	trans	-67.2	-37.1	179.3	-61.1	176.4	0	0	0	111.7	K21 E22 K23 V27 Y28 D29 N54 C57	K21-L25 HydrophobicContact CD-CB 4.47Å; K21-L25 HydrophobicContact CG-CB 4.14Å; K21-L25 HydrophobicContact CG-CD1 4.17Å; E22-L25 HydrophobicContact CB-CD1 3.89Å; E22-L25 HydrophobicContact CB-CG 3.94Å; E22-L25 HydrophobicContact CG-CD1 4.23Å; E22-L25 WeakPolarHBondContact O-CB 3.42Å; E22-L25 PolarHBondContact O-N 3.25Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.44Å; L25-V27 VanDerWaalsContact C-N 3.31Å; L25-Y28 HydrophobicContact CD2-CD2 4.37Å; L25-Y28 PolarHBondContact O-N 3.16Å; L25-D29 VanDerWaalsContact O-CG 3.26Å; L25-D29 PolarHBondContact O-N 2.86Å; L25-N54 HydrophobicContact CD2-CB 3.9Å; L25-C57 HydrophobicContact CD2-CB 3.59Å; L25-C57 WeakPolarHBondContact CD2-SG 3.18Å
26	Q	87.5	Confident	74.2	Confident	95 Å²	95	75.1 Å²	75.1	44%	0.444	40%	0.401	S	S	.	.	H	α-helix	trans	-67.4	-34.6	175.5	-59.2	-179.8	30.9	0	0	111.8	K21 E22 K23 V24 K30	K21-Q26 HydrophobicContact CB-CG 4.19Å; K21-Q26 PolarHBondContact O-NE2 3.43Å; E22-Q26 PolarHBondContact O-N 3.09Å; K23-Q26 PolarHBondContact O-N 3.06Å; V24-Q26 VanDerWaalsContact C-N 3.34Å; V24-Q26 PolarHBondContact O-N 3.31Å; Q26-K30 WeakPolarHBondContact O-CG 3.46Å; Q26-K30 PolarHBondContact O-N 2.92Å; Q26-K30 VanDerWaalsContact O-N 3.14Å
27	V	88.9	Confident	76.8	Confident	14 Å²	14	70.4 Å²	70.4	9%	0.085	37%	0.37	C	S	.	.	H	α-helix	trans	-65.2	-44.3	173.8	174.1	0	0	0	0	110.2	K23 V24 L25 K30 L31 I37 F44 F48	K23-V27 WeakPolarHBondContact O-CG2 3.36Å; K23-V27 PolarHBondContact O-N 2.6Å; V24-V27 WeakPolarHBondContact O-CB 3.37Å; V24-V27 PolarHBondContact O-N 3.32Å; L25-V27 VanDerWaalsContact C-N 3.31Å; V27-K30 PolarHBondContact O-N 2.99Å; V27-L31 PolarHBondContact O-N 3.12Å; V27-I37 HydrophobicContact CG1-CB 4.05Å; V27-I37 HydrophobicContact CG1-CD1 4.22Å; V27-I37 HydrophobicContact CG1-CG2 3.97Å; V27-F44 HydrophobicContact CG1-CZ 3.9Å; V27-F44 HydrophobicContact CG2-CE2 4.22Å; V27-F44 HydrophobicContact CG2-CZ 4.15Å; V27-F48 HydrophobicContact CB-CD2 4.43Å; V27-F48 HydrophobicContact CB-CE2 4.25Å; V27-F48 HydrophobicContact CG1-CD2 3.87Å; V27-F48 HydrophobicContact CG1-CE2 3.62Å; V27-F48 HydrophobicContact CG2-CD2 4.47Å
28	Y	91.6	Very high	79.4	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-46.6	175.1	-60.1	-22.5	0	0	0	111.8	V24 L25 K30 L31 F32 F48 P53 N54 L58	V24-Y28 HydrophobicContact CG2-CE1 3.93Å; V24-Y28 HydrophobicContact CG2-CE2 3.94Å; V24-Y28 WeakPolarHBondContact CG2-OH 3.42Å; V24-Y28 PolarHBondContact O-N 2.94Å; L25-Y28 HydrophobicContact CD2-CD2 4.37Å; L25-Y28 PolarHBondContact O-N 3.16Å; Y28-K30 VanDerWaalsContact C-N 3.26Å; Y28-K30 PolarHBondContact O-N 3.19Å; Y28-L31 WeakPolarHBondContact O-CB 3.49Å; Y28-L31 PolarHBondContact O-N 3.3Å; Y28-L31 VanDerWaalsContact O-N 3.08Å; Y28-F32 VanDerWaalsContact O-CD2 3.31Å; Y28-F32 WeakPolarHBondContact O-CD2 3.42Å; Y28-F32 PolarHBondContact O-N 3.44Å; Y28-F48 HydrophobicContact CE1-CE2 4.12Å; Y28-F48 HydrophobicContact CE1-CZ 4.06Å; Y28-P53 WeakPolarHBondContact OH-CA 3.39Å; Y28-N54 HydrophobicContact CE2-CB 4.18Å; Y28-N54 PolarHBondContact OH-N 3.16Å; Y28-L58 HydrophobicContact CD1-CD1 4.17Å; Y28-L58 HydrophobicContact CD2-CB 4.29Å; Y28-L58 HydrophobicContact CE1-CD1 4.31Å; Y28-L58 HydrophobicContact CE1-CD2 4.35Å; Y28-L58 HydrophobicContact CE2-CB 3.96Å; Y28-L58 HydrophobicContact CG-CD1 4.3Å
29	D	89.7	Confident	81.4	Confident	37 Å²	37	61.8 Å²	61.8	20%	0.198	31%	0.312	C	S	.	.	H	α-helix	trans	-55.5	-43	177.1	-63.9	-41.7	0	0	0	111.5	K21 L25 Q33 H61	K21-D29 IonicContact NZ-OD1 2.94Å; K21-D29 PolarHBondContact NZ-OD1 2.69Å; K21-D29 IonicContact NZ-OD2 3.03Å; K21-D29 PolarHBondContact NZ-OD2 3.08Å; L25-D29 VanDerWaalsContact O-CG 3.26Å; L25-D29 PolarHBondContact O-N 2.86Å; D29-Q33 WeakPolarHBondContact O-CB 3.47Å; D29-Q33 WeakPolarHBondContact O-CG 3.4Å; D29-Q33 PolarHBondContact O-N 2.97Å; D29-Q33 VanDerWaalsContact O-N 3.07Å; D29-Q33 PolarHBondContact O-NE2 3.29Å; D29-H61 IonicContact OD1-CE1 2.73Å; D29-H61 IonicContact OD1-NE2 3.08Å; D29-H61 PolarHBondContact OD1-NE2 3.45Å
30	K	90.3	Very high	83.2	Confident	63 Å²	63	60.2 Å²	60.2	27%	0.274	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-41.9	177	-74.5	179.2	-179.8	177	0	112.3	Q26 V27 Y28 Q33 G34 Q35 I37 Q39	Q26-K30 WeakPolarHBondContact O-CG 3.46Å; Q26-K30 PolarHBondContact O-N 2.92Å; Q26-K30 VanDerWaalsContact O-N 3.14Å; V27-K30 PolarHBondContact O-N 2.99Å; Y28-K30 VanDerWaalsContact C-N 3.26Å; Y28-K30 PolarHBondContact O-N 3.19Å; K30-Q33 PolarHBondContact O-N 3.03Å; K30-G34 PolarHBondContact O-N 2.88Å; K30-Q35 HydrophobicContact CB-CB 4.35Å; K30-Q35 WeakPolarHBondContact O-CB 3.27Å; K30-Q35 PolarHBondContact O-N 3.04Å; K30-I37 HydrophobicContact CB-CG2 4.14Å; K30-Q39 VanDerWaalsContact NZ-NE2 3.12Å
31	L	91.5	Very high	85	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-52.6	176.5	-180	66.6	0	0	0	110.4	V27 Y28 Q33 G34 I37 L73 Q76 L77 L80	V27-L31 PolarHBondContact O-N 3.12Å; Y28-L31 WeakPolarHBondContact O-CB 3.49Å; Y28-L31 PolarHBondContact O-N 3.3Å; Y28-L31 VanDerWaalsContact O-N 3.08Å; L31-Q33 VanDerWaalsContact C-N 3.25Å; L31-Q33 PolarHBondContact O-N 2.65Å; L31-G34 WeakPolarHBondContact O-CA 3.36Å; L31-G34 PolarHBondContact O-N 3.11Å; L31-I37 HydrophobicContact CB-CG2 3.9Å; L31-I37 HydrophobicContact CD1-CD1 4.47Å; L31-I37 HydrophobicContact CD1-CG2 4.4Å; L31-L73 WeakPolarHBondContact O-CD2 3.42Å; L31-Q76 HydrophobicContact CD1-CB 3.69Å; L31-L77 HydrophobicContact CD2-CD2 4.42Å; L31-L80 HydrophobicContact CD2-CD2 3.66Å
32	F	90.4	Very high	85.7	Confident	22 Å²	22	57.9 Å²	57.9	10%	0.096	31%	0.306	C	S	.	.	H	α-helix	trans	-73.8	-13.1	-178.7	-74.7	-87.1	0	0	0	114	Y28 G34 L58 H61 F62 T65 L73	Y28-F32 VanDerWaalsContact O-CD2 3.31Å; Y28-F32 WeakPolarHBondContact O-CD2 3.42Å; Y28-F32 PolarHBondContact O-N 3.44Å; F32-G34 VanDerWaalsContact C-N 3.25Å; F32-L58 HydrophobicContact CE2-CD1 3.69Å; F32-L58 HydrophobicContact CZ-CD1 4.07Å; F32-H61 HydrophobicContact CD1-CB 4.02Å; F32-H61 HydrophobicContact CD2-CB 3.54Å; F32-H61 AromaticContact CD2-CD2 3.65Å; F32-H61 AromaticContact CD2-CG 3.72Å; F32-H61 HydrophobicContact CE1-CB 3.82Å; F32-H61 HydrophobicContact CE2-CB 3.34Å; F32-H61 AromaticContact CE2-CG 3.92Å; F32-H61 HydrophobicContact CG-CB 3.89Å; F32-H61 AromaticContact CG-CD2 3.85Å; F32-H61 HydrophobicContact CZ-CB 3.49Å; F32-H61 VanDerWaalsContact CZ-CB 3.49Å; F32-F62 AromaticContact CE1-CD1 3.82Å; F32-F62 HydrophobicContact CE1-CD1 3.82Å; F32-F62 HydrophobicContact CE1-CD2 4.45Å; F32-F62 AromaticContact CE1-CE1 3.92Å; F32-F62 HydrophobicContact CE1-CE1 3.92Å; F32-F62 HydrophobicContact CE1-CG 4.11Å; F32-F62 HydrophobicContact CE1-CZ 4.3Å; F32-F62 AromaticContact CZ-CD1 3.97Å; F32-F62 HydrophobicContact CZ-CD1 3.97Å; F32-F62 AromaticContact CZ-CD2 3.83Å; F32-F62 HydrophobicContact CZ-CD2 3.83Å; F32-F62 AromaticContact CZ-CE1 3.9Å; F32-F62 HydrophobicContact CZ-CE1 3.9Å; F32-F62 AromaticContact CZ-CE2 3.77Å; F32-F62 HydrophobicContact CZ-CE2 3.77Å; F32-F62 AromaticContact CZ-CG 3.95Å; F32-F62 HydrophobicContact CZ-CG 3.95Å; F32-F62 AromaticContact CZ-CZ 3.8Å; F32-F62 HydrophobicContact CZ-CZ 3.8Å; F32-T65 WeakPolarHBondContact CD1-OG1 3.47Å; F32-L73 HydrophobicContact CD1-CD1 3.74Å; F32-L73 HydrophobicContact CE1-CD1 4.33Å; F32-L73 HydrophobicContact CG-CD1 4.5Å
33	Q	89	Confident	85.9	Confident	119 Å²	119	59.7 Å²	59.7	56%	0.556	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.6	166	-72.6	167.5	29.9	0	0	113.1	D29 K30 L31 Q35	D29-Q33 WeakPolarHBondContact O-CB 3.47Å; D29-Q33 WeakPolarHBondContact O-CG 3.4Å; D29-Q33 PolarHBondContact O-N 2.97Å; D29-Q33 VanDerWaalsContact O-N 3.07Å; D29-Q33 PolarHBondContact O-NE2 3.29Å; K30-Q33 PolarHBondContact O-N 3.03Å; L31-Q33 VanDerWaalsContact C-N 3.25Å; L31-Q33 PolarHBondContact O-N 2.65Å; Q33-Q35 VanDerWaalsContact C-N 3.31Å; Q33-Q35 HydrophobicContact CB-CG 4.22Å
34	G	83.8	Confident	86.3	Confident	21 Å²	21	55.2 Å²	55.2	22%	0.216	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	15.3	-177.2	0	0	0	0	0	114.1	K30 L31 F32 Q76	K30-G34 PolarHBondContact O-N 2.88Å; L31-G34 WeakPolarHBondContact O-CA 3.36Å; L31-G34 PolarHBondContact O-N 3.11Å; F32-G34 VanDerWaalsContact C-N 3.25Å; G34-Q76 PolarHBondContact O-NE2 3.23Å
35	Q	86.9	Confident	86.5	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.421	30%	0.297	S	S	.	.			trans	-83	152.2	178.4	-62.3	178	16.7	0	0	111.2	K30 Q33 I37	K30-Q35 HydrophobicContact CB-CB 4.35Å; K30-Q35 WeakPolarHBondContact O-CB 3.27Å; K30-Q35 PolarHBondContact O-N 3.04Å; Q33-Q35 VanDerWaalsContact C-N 3.31Å; Q33-Q35 HydrophobicContact CB-CG 4.22Å; Q35-I37 PolarHBondContact O-N 3.39Å
36	D	84.2	Confident	86.5	Confident	76 Å²	76	58.2 Å²	58.2	41%	0.406	31%	0.31	S	S	.	.			trans	-70.5	111	170	-174.9	-2.3	0	0	0	110.1	T38 R79	D36-T38 VanDerWaalsContact C-N 3.27Å; D36-T38 VanDerWaalsContact CG-OG1 3.25Å; D36-T38 PolarHBondContact O-N 3.14Å; D36-T38 WeakPolarHBondContact OD1-CB 3.48Å; D36-T38 PolarHBondContact OD1-N 2.74Å; D36-T38 PolarHBondContact OD1-OG1 3.21Å; D36-T38 PolarHBondContact OD2-OG1 3.46Å; D36-T38 VanDerWaalsContact OD2-OG1 3.1Å; D36-R79 IonicContact OD1-NH1 3.78Å; D36-R79 PolarHBondContact OD1-NH1 3.37Å; D36-R79 VanDerWaalsContact OD1-NH1 3.09Å; D36-R79 IonicContact OD2-NH1 3.35Å; D36-R79 PolarHBondContact OD2-NH1 3.34Å; D36-R79 VanDerWaalsContact OD2-NH1 3.15Å
37	I	87.4	Confident	86.6	Confident	12 Å²	12	57.4 Å²	57.4	6%	0.062	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.9	179.3	57.9	173.7	0	0	0	113.1	V27 K30 L31 Q35 Q39 F44 W45 L80	V27-I37 HydrophobicContact CG1-CB 4.05Å; V27-I37 HydrophobicContact CG1-CD1 4.22Å; V27-I37 HydrophobicContact CG1-CG2 3.97Å; K30-I37 HydrophobicContact CB-CG2 4.14Å; L31-I37 HydrophobicContact CB-CG2 3.9Å; L31-I37 HydrophobicContact CD1-CD1 4.47Å; L31-I37 HydrophobicContact CD1-CG2 4.4Å; Q35-I37 PolarHBondContact O-N 3.39Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-F44 HydrophobicContact CB-CE1 4.25Å; I37-F44 HydrophobicContact CB-CZ 4Å; I37-F44 HydrophobicContact CD1-CE1 3.99Å; I37-F44 HydrophobicContact CD1-CZ 4.32Å; I37-F44 HydrophobicContact CG1-CE1 3.95Å; I37-F44 HydrophobicContact CG1-CZ 4.21Å; I37-F44 WeakPolarHBondContact O-CE2 3.18Å; I37-F44 WeakPolarHBondContact O-CZ 3.44Å; I37-W45 HydrophobicContact CD1-CH2 3.89Å; I37-W45 HydrophobicContact CD1-CZ3 3.98Å; I37-W45 HydrophobicContact CG1-CH2 4.34Å; I37-L80 HydrophobicContact CD1-CD1 4.35Å
38	T	85.2	Confident	86.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-25.7	-177	67.5	0	0	0	0	112.4	D36 G40 R41 F44 W45 R79	D36-T38 VanDerWaalsContact C-N 3.27Å; D36-T38 VanDerWaalsContact CG-OG1 3.25Å; D36-T38 PolarHBondContact O-N 3.14Å; D36-T38 WeakPolarHBondContact OD1-CB 3.48Å; D36-T38 PolarHBondContact OD1-N 2.74Å; D36-T38 PolarHBondContact OD1-OG1 3.21Å; D36-T38 PolarHBondContact OD2-OG1 3.46Å; D36-T38 VanDerWaalsContact OD2-OG1 3.1Å; T38-G40 PolarHBondContact O-N 2.9Å; T38-G40 PolarHBondContact OG1-N 2.8Å; T38-R41 PolarHBondContact O-N 2.72Å; T38-F44 HydrophobicContact CG2-CD1 3.85Å; T38-F44 HydrophobicContact CG2-CE1 4.32Å; T38-W45 HydrophobicContact CG2-CD2 4.46Å; T38-W45 HydrophobicContact CG2-CH2 3.99Å; T38-W45 HydrophobicContact CG2-CZ2 3.33Å; T38-R79 PolarHBondContact OG1-NH1 3.08Å; T38-R79 PolarHBondContact OG1-NH2 2.89Å; T38-R79 VanDerWaalsContact OG1-NH2 3.09Å
39	Q	79.9	Confident	86.7	Confident	111 Å²	111	57.1 Å²	57.1	52%	0.519	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	28.8	-173.4	-54.1	-177	-32.9	0	0	112.5	K30 I37	K30-Q39 VanDerWaalsContact NZ-NE2 3.12Å; I37-Q39 VanDerWaalsContact C-N 3.33Å
40	G	77.6	Confident	86.7	Confident	70 Å²	70	59.8 Å²	59.8	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	6.1	-178.3	0	0	0	0	0	116.5	T38	T38-G40 PolarHBondContact O-N 2.9Å; T38-G40 PolarHBondContact OG1-N 2.8Å
41	R	83.1	Confident	86.7	Confident	143 Å²	143	59.2 Å²	59.2	54%	0.54	32%	0.32	S	S	.	.			trans	-94.5	122.3	178.6	-67.2	-175.4	-71.8	177.4	-4.8	111.2	T38 F44	T38-R41 PolarHBondContact O-N 2.72Å; R41-F44 HydrophobicContact CB-CB 4.21Å; R41-F44 WeakPolarHBondContact O-CB 3.49Å; R41-F44 PolarHBondContact O-N 3.32Å
42	A	77	Confident	86.5	Confident	85 Å²	85	64.3 Å²	64.3	70%	0.702	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-43.6	177.2	0	0	0	0	0	112.2	F44 W45	A42-F44 PolarHBondContact O-N 3.09Å; A42-W45 PolarHBondContact O-N 3.08Å
43	E	83.1	Confident	86.4	Confident	151 Å²	151	63.4 Å²	63.4	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.3	176.7	-60.2	176.2	-175	0	0	113.4	W45 D46 D47	E43-W45 PolarHBondContact O-N 2.93Å; E43-D46 PolarHBondContact O-N 3.4Å; E43-D47 PolarHBondContact O-N 2.86Å
44	F	91	Very high	86.5	Confident	16 Å²	16	60.1 Å²	60.1	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-55.4	-38.1	176.2	171.5	-96.7	0	0	0	111.9	V27 I37 T38 R41 A42 D47 F48	V27-F44 HydrophobicContact CG1-CZ 3.9Å; V27-F44 HydrophobicContact CG2-CE2 4.22Å; V27-F44 HydrophobicContact CG2-CZ 4.15Å; I37-F44 HydrophobicContact CB-CE1 4.25Å; I37-F44 HydrophobicContact CB-CZ 4Å; I37-F44 HydrophobicContact CD1-CE1 3.99Å; I37-F44 HydrophobicContact CD1-CZ 4.32Å; I37-F44 HydrophobicContact CG1-CE1 3.95Å; I37-F44 HydrophobicContact CG1-CZ 4.21Å; I37-F44 WeakPolarHBondContact O-CE2 3.18Å; I37-F44 WeakPolarHBondContact O-CZ 3.44Å; T38-F44 HydrophobicContact CG2-CD1 3.85Å; T38-F44 HydrophobicContact CG2-CE1 4.32Å; R41-F44 HydrophobicContact CB-CB 4.21Å; R41-F44 WeakPolarHBondContact O-CB 3.49Å; R41-F44 PolarHBondContact O-N 3.32Å; A42-F44 PolarHBondContact O-N 3.09Å; F44-D47 WeakPolarHBondContact O-CB 3.34Å; F44-D47 PolarHBondContact O-N 3.1Å; F44-F48 HydrophobicContact CD1-CB 4.37Å; F44-F48 HydrophobicContact CE1-CB 3.97Å; F44-F48 HydrophobicContact CE1-CG 4.21Å; F44-F48 HydrophobicContact CZ-CB 4.12Å; F44-F48 HydrophobicContact CZ-CD2 4.2Å; F44-F48 HydrophobicContact CZ-CG 4.3Å; F44-F48 WeakPolarHBondContact O-CB 3.14Å; F44-F48 PolarHBondContact O-N 3.48Å
45	W	90.4	Very high	86.8	Confident	20 Å²	20	59.2 Å²	59.2	8%	0.076	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-41.3	-176.4	-62.9	123.5	0	0	0	112.1	I37 T38 A42 E43 D47 F48 F49 R79 L80 Q83	I37-W45 HydrophobicContact CD1-CH2 3.89Å; I37-W45 HydrophobicContact CD1-CZ3 3.98Å; I37-W45 HydrophobicContact CG1-CH2 4.34Å; T38-W45 HydrophobicContact CG2-CD2 4.46Å; T38-W45 HydrophobicContact CG2-CH2 3.99Å; T38-W45 HydrophobicContact CG2-CZ2 3.33Å; A42-W45 PolarHBondContact O-N 3.08Å; E43-W45 PolarHBondContact O-N 2.93Å; W45-D47 VanDerWaalsContact C-N 3.31Å; W45-D47 PolarHBondContact O-N 3.06Å; W45-F48 HydrophobicContact CE3-CD1 4.17Å; W45-F48 HydrophobicContact CZ3-CD1 4.32Å; W45-F48 PolarHBondContact O-N 2.73Å; W45-F49 HydrophobicContact CB-CD2 4.28Å; W45-F49 HydrophobicContact CB-CE2 4.22Å; W45-F49 HydrophobicContact CD2-CE2 4.5Å; W45-F49 AromaticContact CE3-CE2 3.85Å; W45-F49 HydrophobicContact CE3-CE2 3.85Å; W45-F49 HydrophobicContact CE3-CZ 4.3Å; W45-F49 WeakPolarHBondContact O-CD2 3.46Å; W45-F49 PolarHBondContact O-N 2.88Å; W45-R79 HydrophobicContact CZ2-CG 4.25Å; W45-L80 HydrophobicContact CH2-CD1 4Å; W45-L80 HydrophobicContact CZ3-CD1 3.53Å; W45-Q83 HydrophobicContact CB-CG 4.31Å; W45-Q83 HydrophobicContact CD2-CB 4.38Å; W45-Q83 HydrophobicContact CD2-CG 3.48Å; W45-Q83 VanDerWaalsContact CD2-CG 3.48Å; W45-Q83 HydrophobicContact CE3-CB 4.41Å; W45-Q83 HydrophobicContact CE3-CG 3.8Å; W45-Q83 HydrophobicContact CG-CG 3.72Å; W45-Q83 HydrophobicContact CH2-CB 4.22Å; W45-Q83 HydrophobicContact CH2-CG 4.34Å; W45-Q83 HydrophobicContact CZ2-CB 4.17Å; W45-Q83 HydrophobicContact CZ2-CG 4.06Å; W45-Q83 HydrophobicContact CZ3-CB 4.34Å; W45-Q83 HydrophobicContact CZ3-CG 4.22Å
46	D	88.7	Confident	86.9	Confident	74 Å²	74	62 Å²	62	40%	0.396	33%	0.325	S	S	.	.	H	α-helix	trans	-56.2	-49.1	174.3	-68.1	-43.1	0	0	0	111	E43 L50 R96	E43-D46 PolarHBondContact O-N 3.4Å; D46-L50 WeakPolarHBondContact O-CB 3.46Å; D46-L50 PolarHBondContact O-N 3.15Å; D46-R96 WeakPolarHBondContact O-CD 3.49Å; D46-R96 IonicContact OD1-CZ 3.37Å; D46-R96 IonicContact OD1-NH1 3.48Å; D46-R96 PolarHBondContact OD1-NH1 3.29Å
47	D	88.6	Confident	87.1	Confident	78 Å²	78	60 Å²	60	42%	0.417	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-44.2	175.8	-107.5	24.8	0	0	0	112.3	K23 E43 F44 W45 L50 L51	K23-D47 IonicContact NZ-OD2 3.78Å; K23-D47 PolarHBondContact NZ-OD2 2.78Å; E43-D47 PolarHBondContact O-N 2.86Å; F44-D47 WeakPolarHBondContact O-CB 3.34Å; F44-D47 PolarHBondContact O-N 3.1Å; W45-D47 VanDerWaalsContact C-N 3.31Å; W45-D47 PolarHBondContact O-N 3.06Å; D47-L50 PolarHBondContact O-N 2.99Å; D47-L51 WeakPolarHBondContact O-CG 3.27Å
48	F	91.8	Very high	87.2	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-48.2	-174.7	173	-104.9	0	0	0	111.4	V24 V27 Y28 F44 W45 L50 L51 L80	V24-F48 HydrophobicContact CG2-CE2 4.24Å; V27-F48 HydrophobicContact CB-CD2 4.43Å; V27-F48 HydrophobicContact CB-CE2 4.25Å; V27-F48 HydrophobicContact CG1-CD2 3.87Å; V27-F48 HydrophobicContact CG1-CE2 3.62Å; V27-F48 HydrophobicContact CG2-CD2 4.47Å; Y28-F48 HydrophobicContact CE1-CE2 4.12Å; Y28-F48 HydrophobicContact CE1-CZ 4.06Å; F44-F48 HydrophobicContact CD1-CB 4.37Å; F44-F48 HydrophobicContact CE1-CB 3.97Å; F44-F48 HydrophobicContact CE1-CG 4.21Å; F44-F48 HydrophobicContact CZ-CB 4.12Å; F44-F48 HydrophobicContact CZ-CD2 4.2Å; F44-F48 HydrophobicContact CZ-CG 4.3Å; F44-F48 WeakPolarHBondContact O-CB 3.14Å; F44-F48 PolarHBondContact O-N 3.48Å; W45-F48 HydrophobicContact CE3-CD1 4.17Å; W45-F48 HydrophobicContact CZ3-CD1 4.32Å; W45-F48 PolarHBondContact O-N 2.73Å; F48-L50 PolarHBondContact O-N 3.19Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 3.02Å; F48-L51 VanDerWaalsContact O-N 3.12Å; F48-L80 HydrophobicContact CE1-CD1 3.82Å; F48-L80 HydrophobicContact CZ-CD1 4.31Å
49	F	92.1	Very high	87.4	Confident	1 Å²	1	60 Å²	60	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-74.7	-14	-179.8	-67.1	-62.7	0	0	0	112.9	W45 L51 L80 Q83 C84 T87 R96 N99 A100	W45-F49 HydrophobicContact CB-CD2 4.28Å; W45-F49 HydrophobicContact CB-CE2 4.22Å; W45-F49 HydrophobicContact CD2-CE2 4.5Å; W45-F49 AromaticContact CE3-CE2 3.85Å; W45-F49 HydrophobicContact CE3-CE2 3.85Å; W45-F49 HydrophobicContact CE3-CZ 4.3Å; W45-F49 WeakPolarHBondContact O-CD2 3.46Å; W45-F49 PolarHBondContact O-N 2.88Å; F49-L51 VanDerWaalsContact C-N 3.29Å; F49-L80 HydrophobicContact CZ-CD1 4.49Å; F49-Q83 HydrophobicContact CE2-CG 3.93Å; F49-Q83 HydrophobicContact CZ-CG 4.39Å; F49-C84 HydrophobicContact CE1-CB 4.45Å; F49-C84 HydrophobicContact CZ-CB 4.39Å; F49-T87 HydrophobicContact CB-CG2 4.17Å; F49-T87 HydrophobicContact CD2-CG2 3.58Å; F49-T87 WeakPolarHBondContact CD2-OG1 3.13Å; F49-T87 HydrophobicContact CE2-CG2 4.17Å; F49-T87 WeakPolarHBondContact CE2-OG1 3.37Å; F49-T87 HydrophobicContact CG-CG2 3.96Å; F49-R96 HydrophobicContact CB-CB 4.06Å; F49-R96 HydrophobicContact CB-CG 4.21Å; F49-N99 VanDerWaalsContact O-CB 3.27Å; F49-N99 WeakPolarHBondContact O-CB 3.46Å; F49-N99 PolarHBondContact O-ND2 3.24Å; F49-A100 HydrophobicContact CD1-CB 3.69Å; F49-A100 HydrophobicContact CE1-CB 3.83Å; F49-A100 HydrophobicContact CG-CB 4.24Å; F49-A100 HydrophobicContact CZ-CB 4.48Å
50	L	89.7	Confident	87.8	Confident	93 Å²	93	56.1 Å²	56.1	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-72.7	-25.1	169.2	-159.1	71.1	0	0	0	112.1	D46 D47 F48 R96	D46-L50 WeakPolarHBondContact O-CB 3.46Å; D46-L50 PolarHBondContact O-N 3.15Å; D47-L50 PolarHBondContact O-N 2.99Å; F48-L50 PolarHBondContact O-N 3.19Å; L50-R96 HydrophobicContact CB-CG 4.34Å; L50-R96 HydrophobicContact CD1-CG 3.91Å
51	L	89.2	Confident	88.5	Confident	51 Å²	51	54.3 Å²	54.3	27%	0.267	28%	0.277	S	S	.	.	S	Bend	trans	-74.3	139.7	177.3	-58.9	171.6	0	0	0	110.9	K23 V24 D47 F48 F49 P53 N99	K23-L51 HydrophobicContact CB-CD1 4.1Å; K23-L51 HydrophobicContact CD-CD1 4.13Å; K23-L51 HydrophobicContact CG-CD1 4.1Å; V24-L51 HydrophobicContact CB-CB 4.37Å; V24-L51 HydrophobicContact CB-CD1 4.19Å; D47-L51 WeakPolarHBondContact O-CG 3.27Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 3.02Å; F48-L51 VanDerWaalsContact O-N 3.12Å; F49-L51 VanDerWaalsContact C-N 3.29Å; L51-P53 VanDerWaalsContact O-CD 3.26Å; L51-P53 WeakPolarHBondContact O-CD 3.24Å; L51-N99 PolarHBondContact O-ND2 2.85Å; L51-N99 VanDerWaalsContact O-ND2 3.16Å
52	K	88.1	Confident	88.8	Confident	109 Å²	109	47.5 Å²	47.5	47%	0.474	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-61.3	117.7	171.7	-175.8	175.7	-179.8	171	0	109.7	N54 Q759 N760	K52-N54 PolarHBondContact O-N 3.4Å; K52-Q759 HydrophobicContact CD-CG 4.37Å; K52-Q759 HydrophobicContact CG-CG 4.07Å; K52-N760 PolarHBondContact NZ-OD1 3.07Å
53	P	88.7	Confident	89.3	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.019	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-70	127.6	-177.7	23.1	-31.2	0	0	0	112.1	Y28 L51 L55 N99 Q102 Q759	Y28-P53 WeakPolarHBondContact OH-CA 3.39Å; L51-P53 VanDerWaalsContact O-CD 3.26Å; L51-P53 WeakPolarHBondContact O-CD 3.24Å; P53-L55 HydrophobicContact CB-CD2 4Å; P53-L55 HydrophobicContact CG-CD2 4.23Å; P53-L55 PolarHBondContact O-N 3.35Å; P53-N99 VanDerWaalsContact CD-CG 3.41Å; P53-N99 WeakPolarHBondContact CD-OD1 3.17Å; P53-N99 HydrophobicContact CG-CB 4.14Å; P53-Q102 HydrophobicContact CG-CB 4.25Å; P53-Q759 VanDerWaalsContact CG-NE2 3.31Å; P53-Q759 PolarHBondContact O-NE2 3.32Å; P53-Q759 PolarHBondContact O-OE1 3.04Å
54	N	90.8	Very high	89.5	Confident	50 Å²	50	51 Å²	51	27%	0.267	25%	0.251	S	S	.	.			trans	-85.3	82.8	177.6	-165.4	-42.7	0	0	0	110.5	V24 L25 Y28 K52 K56 C57 L58	V24-N54 HydrophobicContact CG1-CB 4.26Å; L25-N54 HydrophobicContact CD2-CB 3.9Å; Y28-N54 HydrophobicContact CE2-CB 4.18Å; Y28-N54 PolarHBondContact OH-N 3.16Å; K52-N54 PolarHBondContact O-N 3.4Å; N54-K56 VanDerWaalsContact C-N 3.3Å; N54-K56 PolarHBondContact O-N 3.43Å; N54-C57 HydrophobicContact CB-CB 4.09Å; N54-C57 PolarHBondContact O-N 2.84Å; N54-C57 VanDerWaalsContact O-N 3.09Å; N54-C57 WeakPolarHBondContact OD1-CB 3.39Å; N54-C57 PolarHBondContact OD1-N 3.36Å; N54-L58 PolarHBondContact O-N 2.89Å
55	L	89.6	Confident	89.3	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-37.2	-172.4	-53.7	-179.8	0	0	0	113	P53 L58 S59 Q102 C106 S755 L756	P53-L55 HydrophobicContact CB-CD2 4Å; P53-L55 HydrophobicContact CG-CD2 4.23Å; P53-L55 PolarHBondContact O-N 3.35Å; L55-L58 PolarHBondContact O-N 3.49Å; L55-S59 VanDerWaalsContact O-CB 3.31Å; L55-S59 WeakPolarHBondContact O-CB 3.26Å; L55-S59 PolarHBondContact O-N 3.21Å; L55-S59 PolarHBondContact O-OG 3.43Å; L55-Q102 HydrophobicContact CD1-CB 4.44Å; L55-Q102 HydrophobicContact CD2-CB 4.1Å; L55-C106 HydrophobicContact CD2-CB 4.02Å; L55-S755 WeakPolarHBondContact CD1-OG 3.39Å; L55-L756 HydrophobicContact CB-CD2 4.09Å; L55-L756 HydrophobicContact CD1-CD2 4.21Å; L55-L756 HydrophobicContact CD1-CG 4.44Å
56	K	88.3	Confident	89	Confident	147 Å²	147	52.8 Å²	52.8	64%	0.639	27%	0.267	S	S	*	.	H	α-helix	trans	-63.7	-44.8	176	-66.7	-175.7	-179.2	179.4	0	111.1	N54 A60 L756	N54-K56 VanDerWaalsContact C-N 3.3Å; N54-K56 PolarHBondContact O-N 3.43Å; K56-A60 VanDerWaalsContact O-CB 3.31Å; K56-A60 WeakPolarHBondContact O-CB 3.48Å; K56-A60 PolarHBondContact O-N 3.18Å; K56-L756 HydrophobicContact CG-CD1 4.29Å; K56-L756 HydrophobicContact CG-CD2 4.09Å
57	C	88.3	Confident	88.6	Confident	34 Å²	34	50.7 Å²	50.7	23%	0.23	26%	0.258	C	S	.	.	H	α-helix	trans	-70.9	-38.5	179.3	-169.5	0	0	0	0	112.6	L25 N54 A60 H61	L25-C57 HydrophobicContact CD2-CB 3.59Å; L25-C57 WeakPolarHBondContact CD2-SG 3.18Å; N54-C57 HydrophobicContact CB-CB 4.09Å; N54-C57 PolarHBondContact O-N 2.84Å; N54-C57 VanDerWaalsContact O-N 3.09Å; N54-C57 WeakPolarHBondContact OD1-CB 3.39Å; N54-C57 PolarHBondContact OD1-N 3.36Å; C57-A60 PolarHBondContact O-N 2.82Å; C57-H61 PolarHBondContact O-N 3.23Å; C57-H61 PolarHBondContact O-ND1 3.3Å
58	L	90.7	Very high	88.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-47	175.9	-176.9	54.9	0	0	0	110.7	Y28 F32 N54 L55 A60 H61 F62 T103 C106 L107	Y28-L58 HydrophobicContact CD1-CD1 4.17Å; Y28-L58 HydrophobicContact CD2-CB 4.29Å; Y28-L58 HydrophobicContact CE1-CD1 4.31Å; Y28-L58 HydrophobicContact CE1-CD2 4.35Å; Y28-L58 HydrophobicContact CE2-CB 3.96Å; Y28-L58 HydrophobicContact CG-CD1 4.3Å; F32-L58 HydrophobicContact CE2-CD1 3.69Å; F32-L58 HydrophobicContact CZ-CD1 4.07Å; N54-L58 PolarHBondContact O-N 2.89Å; L55-L58 PolarHBondContact O-N 3.49Å; L58-A60 VanDerWaalsContact C-N 3.33Å; L58-A60 PolarHBondContact O-N 3.24Å; L58-H61 WeakPolarHBondContact O-CB 3.12Å; L58-H61 PolarHBondContact O-N 3.3Å; L58-F62 HydrophobicContact CD1-CD2 4.45Å; L58-F62 HydrophobicContact CD1-CE2 3.97Å; L58-F62 HydrophobicContact CG-CD2 4.48Å; L58-F62 HydrophobicContact CG-CE2 4.13Å; L58-F62 VanDerWaalsContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CD2 3.11Å; L58-F62 PolarHBondContact O-N 3.41Å; L58-T103 HydrophobicContact CD2-CG2 4.33Å; L58-C106 HydrophobicContact CD2-CB 3.92Å; L58-L107 HydrophobicContact CD2-CD2 4.47Å
59	S	88.4	Confident	87.9	Confident	13 Å²	13	57 Å²	57	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-42.7	173.4	-65.3	0	0	0	0	112.4	L55 H61 F62 E63 C106	L55-S59 VanDerWaalsContact O-CB 3.31Å; L55-S59 WeakPolarHBondContact O-CB 3.26Å; L55-S59 PolarHBondContact O-N 3.21Å; L55-S59 PolarHBondContact O-OG 3.43Å; S59-H61 VanDerWaalsContact C-N 3.28Å; S59-H61 PolarHBondContact O-N 2.67Å; S59-F62 WeakPolarHBondContact O-CB 3.32Å; S59-F62 PolarHBondContact O-N 3.46Å; S59-E63 PolarHBondContact O-N 2.91Å; S59-C106 PolarHBondContact OG-SG 2.98Å
60	A	89.3	Confident	87.6	Confident	29 Å²	29	57.1 Å²	57.1	24%	0.24	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-25.4	178.7	0	0	0	0	0	113.7	K56 C57 L58 K64	K56-A60 VanDerWaalsContact O-CB 3.31Å; K56-A60 WeakPolarHBondContact O-CB 3.48Å; K56-A60 PolarHBondContact O-N 3.18Å; C57-A60 PolarHBondContact O-N 2.82Å; L58-A60 VanDerWaalsContact C-N 3.33Å; L58-A60 PolarHBondContact O-N 3.24Å; A60-K64 WeakPolarHBondContact O-CD 3.44Å; A60-K64 WeakPolarHBondContact O-CG 3.46Å; A60-K64 PolarHBondContact O-N 3.41Å
61	H	90.8	Very high	87.2	Confident	32 Å²	32	56.2 Å²	56.2	15%	0.148	29%	0.286	C	S	.	.	H	α-helix	trans	-70.1	-43.5	171.5	-84.5	84.1	0	0	0	111.2	D29 F32 C57 L58 S59 K64 T65	D29-H61 IonicContact OD1-CE1 2.73Å; D29-H61 IonicContact OD1-NE2 3.08Å; D29-H61 PolarHBondContact OD1-NE2 3.45Å; F32-H61 HydrophobicContact CD1-CB 4.02Å; F32-H61 HydrophobicContact CD2-CB 3.54Å; F32-H61 AromaticContact CD2-CD2 3.65Å; F32-H61 AromaticContact CD2-CG 3.72Å; F32-H61 HydrophobicContact CE1-CB 3.82Å; F32-H61 HydrophobicContact CE2-CB 3.34Å; F32-H61 AromaticContact CE2-CG 3.92Å; F32-H61 HydrophobicContact CG-CB 3.89Å; F32-H61 AromaticContact CG-CD2 3.85Å; F32-H61 HydrophobicContact CZ-CB 3.49Å; F32-H61 VanDerWaalsContact CZ-CB 3.49Å; C57-H61 PolarHBondContact O-N 3.23Å; C57-H61 PolarHBondContact O-ND1 3.3Å; L58-H61 WeakPolarHBondContact O-CB 3.12Å; L58-H61 PolarHBondContact O-N 3.3Å; S59-H61 VanDerWaalsContact C-N 3.28Å; S59-H61 PolarHBondContact O-N 2.67Å; H61-K64 PolarHBondContact O-N 3.03Å; H61-T65 PolarHBondContact O-N 3.01Å; H61-T65 VanDerWaalsContact O-N 3.16Å; H61-T65 PolarHBondContact O-OG1 2.96Å
62	F	90.1	Very high	87.1	Confident	1 Å²	1	60.5 Å²	60.5	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-47.8	173.5	-77.9	-67.6	0	0	0	111.3	F32 L58 S59 K64 T65 L70 L77 L107 V111 C114	F32-F62 AromaticContact CE1-CD1 3.82Å; F32-F62 HydrophobicContact CE1-CD1 3.82Å; F32-F62 HydrophobicContact CE1-CD2 4.45Å; F32-F62 AromaticContact CE1-CE1 3.92Å; F32-F62 HydrophobicContact CE1-CE1 3.92Å; F32-F62 HydrophobicContact CE1-CG 4.11Å; F32-F62 HydrophobicContact CE1-CZ 4.3Å; F32-F62 AromaticContact CZ-CD1 3.97Å; F32-F62 HydrophobicContact CZ-CD1 3.97Å; F32-F62 AromaticContact CZ-CD2 3.83Å; F32-F62 HydrophobicContact CZ-CD2 3.83Å; F32-F62 AromaticContact CZ-CE1 3.9Å; F32-F62 HydrophobicContact CZ-CE1 3.9Å; F32-F62 AromaticContact CZ-CE2 3.77Å; F32-F62 HydrophobicContact CZ-CE2 3.77Å; F32-F62 AromaticContact CZ-CG 3.95Å; F32-F62 HydrophobicContact CZ-CG 3.95Å; F32-F62 AromaticContact CZ-CZ 3.8Å; F32-F62 HydrophobicContact CZ-CZ 3.8Å; L58-F62 HydrophobicContact CD1-CD2 4.45Å; L58-F62 HydrophobicContact CD1-CE2 3.97Å; L58-F62 HydrophobicContact CG-CD2 4.48Å; L58-F62 HydrophobicContact CG-CE2 4.13Å; L58-F62 VanDerWaalsContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CD2 3.11Å; L58-F62 PolarHBondContact O-N 3.41Å; S59-F62 WeakPolarHBondContact O-CB 3.32Å; S59-F62 PolarHBondContact O-N 3.46Å; F62-K64 PolarHBondContact O-N 3.35Å; F62-T65 WeakPolarHBondContact O-CB 3.21Å; F62-T65 PolarHBondContact O-N 3.34Å; F62-L70 HydrophobicContact CD1-CD1 4.46Å; F62-L70 HydrophobicContact CE1-CD1 4.37Å; F62-L77 HydrophobicContact CE1-CD1 4.38Å; F62-L77 HydrophobicContact CE1-CD2 4.21Å; F62-L77 HydrophobicContact CZ-CD2 3.97Å; F62-L107 HydrophobicContact CE2-CD2 3.99Å; F62-L107 HydrophobicContact CZ-CD2 3.76Å; F62-V111 HydrophobicContact CE1-CG2 3.67Å; F62-V111 HydrophobicContact CZ-CG2 4.07Å; F62-C114 VanDerWaalsContact CA-SG 3.5Å; F62-C114 WeakPolarHBondContact CB-SG 3.34Å; F62-C114 VanDerWaalsContact CD1-SG 3.58Å; F62-C114 PolarHBondContact O-SG 3.07Å
63	E	86.8	Confident	87.2	Confident	132 Å²	132	55.3 Å²	55.3	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-57.5	-24.6	178.5	-71.5	173.1	-177.2	0	0	114.3	S59 K113	S59-E63 PolarHBondContact O-N 2.91Å; E63-K113 IonicContact OE1-NZ 3.15Å
64	K	87.5	Confident	87.2	Confident	177 Å²	177	57.5 Å²	57.5	77%	0.77	29%	0.285	S	S	*	.	H	α-helix	trans	-92.5	-12	176.7	-67	170.9	-173	173.7	0	113.9	A60 H61 F62	A60-K64 WeakPolarHBondContact O-CD 3.44Å; A60-K64 WeakPolarHBondContact O-CG 3.46Å; A60-K64 PolarHBondContact O-N 3.41Å; H61-K64 PolarHBondContact O-N 3.03Å; F62-K64 PolarHBondContact O-N 3.35Å
65	T	87.3	Confident	87.1	Confident	23 Å²	23	59.3 Å²	59.3	14%	0.141	30%	0.3	C	S	.	.			trans	-85.6	128.6	-174.6	-59.8	0	0	0	0	109.6	F32 H61 F62 D69 L73	F32-T65 WeakPolarHBondContact CD1-OG1 3.47Å; H61-T65 PolarHBondContact O-N 3.01Å; H61-T65 VanDerWaalsContact O-N 3.16Å; H61-T65 PolarHBondContact O-OG1 2.96Å; F62-T65 WeakPolarHBondContact O-CB 3.21Å; F62-T65 PolarHBondContact O-N 3.34Å; T65-D69 HydrophobicContact CG2-CB 3.73Å; T65-L73 HydrophobicContact CG2-CD1 4Å
66	S	84.7	Confident	87.1	Confident	50 Å²	50	61.3 Å²	61.3	35%	0.35	31%	0.309	S	S	.	.			trans	-73.4	159.3	176	76.3	0	0	0	0	111.5	E68 D69 L70	S66-E68 PolarHBondContact O-N 3.03Å; S66-D69 PolarHBondContact O-N 2.88Å; S66-D69 VanDerWaalsContact OG-CG 3.27Å; S66-D69 PolarHBondContact OG-N 3.43Å; S66-D69 PolarHBondContact OG-OD2 2.92Å; S66-L70 PolarHBondContact O-N 3.19Å; S66-L70 VanDerWaalsContact O-N 3.09Å
67	S	80	Confident	87.3	Confident	30 Å²	30	54.4 Å²	54.4	21%	0.21	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-29.5	176.2	-60.8	0	0	0	0	113.1	L70 C114 S116	S67-L70 WeakPolarHBondContact O-CB 3.46Å; S67-C114 PolarHBondContact OG-O 3.38Å; S67-S116 PolarHBondContact OG-OG 3.41Å
68	E	80.9	Confident	87.4	Confident	167 Å²	167	53.9 Å²	53.9	78%	0.78	27%	0.274	S	S	*	.	H	α-helix	trans	-73	-42.1	176.3	-67.2	-179.5	-179	0	0	111.8	S66 L70 V71 R72	S66-E68 PolarHBondContact O-N 3.03Å; E68-L70 PolarHBondContact O-N 3.14Å; E68-V71 PolarHBondContact O-N 3.43Å; E68-R72 PolarHBondContact O-N 3.04Å
69	D	85.6	Confident	87.4	Confident	53 Å²	53	59 Å²	59	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-32.7	175.1	-71	-58.5	0	0	0	111.6	T65 S66 V71 R72 L73	T65-D69 HydrophobicContact CG2-CB 3.73Å; S66-D69 PolarHBondContact O-N 2.88Å; S66-D69 VanDerWaalsContact OG-CG 3.27Å; S66-D69 PolarHBondContact OG-N 3.43Å; S66-D69 PolarHBondContact OG-OD2 2.92Å; D69-V71 VanDerWaalsContact C-N 3.3Å; D69-V71 PolarHBondContact O-N 3.07Å; D69-R72 WeakPolarHBondContact O-CB 3.4Å; D69-R72 PolarHBondContact O-N 3.42Å; D69-R72 VanDerWaalsContact O-N 3.13Å; D69-R72 IonicContact OD1-CZ 2.92Å; D69-R72 VanDerWaalsContact OD1-CZ 3.31Å; D69-R72 IonicContact OD1-NH1 3.78Å; D69-R72 PolarHBondContact OD1-NH1 3.01Å; D69-R72 IonicContact OD1-NH2 2.62Å; D69-R72 PolarHBondContact OD1-NH2 3.29Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.17Å; D69-L73 PolarHBondContact O-N 3.33Å
70	L	84.9	Confident	87.7	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-40.4	177.8	-162.3	70.9	0	0	0	111.9	F62 S66 S67 E68 R72 L73 K74 L77 V111 C114 I126	F62-L70 HydrophobicContact CD1-CD1 4.46Å; F62-L70 HydrophobicContact CE1-CD1 4.37Å; S66-L70 PolarHBondContact O-N 3.19Å; S66-L70 VanDerWaalsContact O-N 3.09Å; S67-L70 WeakPolarHBondContact O-CB 3.46Å; E68-L70 PolarHBondContact O-N 3.14Å; L70-R72 VanDerWaalsContact C-N 3.32Å; L70-R72 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 3.35Å; L70-K74 PolarHBondContact O-N 3.42Å; L70-L77 HydrophobicContact CD1-CD1 4.13Å; L70-V111 HydrophobicContact CD1-CG2 4.35Å; L70-V111 HydrophobicContact CD2-CG1 4.16Å; L70-C114 HydrophobicContact CD1-CB 4.01Å; L70-C114 HydrophobicContact CD2-CB 3.84Å; L70-C114 HydrophobicContact CG-CB 4.49Å; L70-I126 HydrophobicContact CD2-CD1 4.04Å; L70-I126 HydrophobicContact CD2-CG2 4.28Å; L70-I126 HydrophobicContact CG-CG2 4.13Å
71	V	82.2	Confident	87.9	Confident	73 Å²	73	57.1 Å²	57.1	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-39.6	176.1	-179.4	0	0	0	0	110.6	E68 D69 L73 K74	E68-V71 PolarHBondContact O-N 3.43Å; D69-V71 VanDerWaalsContact C-N 3.3Å; D69-V71 PolarHBondContact O-N 3.07Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 3.2Å; V71-K74 WeakPolarHBondContact O-CB 3.18Å; V71-K74 PolarHBondContact O-N 3.26Å
72	R	86.8	Confident	88.1	Confident	141 Å²	141	58.3 Å²	58.3	53%	0.532	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-36.2	175.9	-175.6	-174.2	64.8	-151.5	-13.2	112.3	E68 D69 L70 K74 P75 Q76	E68-R72 PolarHBondContact O-N 3.04Å; D69-R72 WeakPolarHBondContact O-CB 3.4Å; D69-R72 PolarHBondContact O-N 3.42Å; D69-R72 VanDerWaalsContact O-N 3.13Å; D69-R72 IonicContact OD1-CZ 2.92Å; D69-R72 VanDerWaalsContact OD1-CZ 3.31Å; D69-R72 IonicContact OD1-NH1 3.78Å; D69-R72 PolarHBondContact OD1-NH1 3.01Å; D69-R72 IonicContact OD1-NH2 2.62Å; D69-R72 PolarHBondContact OD1-NH2 3.29Å; L70-R72 VanDerWaalsContact C-N 3.32Å; L70-R72 PolarHBondContact O-N 2.94Å; R72-K74 PolarHBondContact O-N 3.27Å; R72-P75 WeakPolarHBondContact O-CD 3.38Å; R72-Q76 PolarHBondContact O-OE1 3.05Å
73	L	89.8	Confident	88.3	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-78.7	-7.5	-178.2	-67.8	175.4	0	0	0	113.8	L31 F32 T65 D69 L70 V71 Q76 L77	L31-L73 WeakPolarHBondContact O-CD2 3.42Å; F32-L73 HydrophobicContact CD1-CD1 3.74Å; F32-L73 HydrophobicContact CE1-CD1 4.33Å; F32-L73 HydrophobicContact CG-CD1 4.5Å; T65-L73 HydrophobicContact CG2-CD1 4Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.17Å; D69-L73 PolarHBondContact O-N 3.33Å; L70-L73 PolarHBondContact O-N 3.35Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 3.2Å; L73-Q76 PolarHBondContact O-N 3Å; L73-Q76 VanDerWaalsContact O-N 3.16Å; L73-Q76 PolarHBondContact O-OE1 2.86Å; L73-L77 HydrophobicContact CB-CD1 3.9Å; L73-L77 HydrophobicContact CB-CG 4.15Å; L73-L77 WeakPolarHBondContact O-CG 3.38Å; L73-L77 PolarHBondContact O-N 3.08Å
74	K	88.6	Confident	88.7	Confident	49 Å²	49	53.9 Å²	53.9	21%	0.213	26%	0.264	C	S	.	.	H	α-helix	trans	-47.9	-53.5	-176.2	-180	172.3	-178.7	158.5	0	113.1	L70 V71 R72 Q76 L77 N78 E121 A125	L70-K74 PolarHBondContact O-N 3.42Å; V71-K74 WeakPolarHBondContact O-CB 3.18Å; V71-K74 PolarHBondContact O-N 3.26Å; R72-K74 PolarHBondContact O-N 3.27Å; K74-Q76 VanDerWaalsContact C-N 3.32Å; K74-Q76 PolarHBondContact O-N 3.15Å; K74-L77 PolarHBondContact O-N 3.27Å; K74-N78 WeakPolarHBondContact CG-ND2 3.21Å; K74-N78 WeakPolarHBondContact O-CB 3.42Å; K74-N78 PolarHBondContact O-N 3.24Å; K74-N78 PolarHBondContact O-ND2 3.2Å; K74-E121 IonicContact NZ-OE2 3.82Å; K74-E121 PolarHBondContact NZ-OE2 3.13Å; K74-E121 VanDerWaalsContact NZ-OE2 3.08Å; K74-A125 WeakPolarHBondContact CE-O 3.43Å; K74-A125 PolarHBondContact NZ-O 3.49Å
75	P	88.6	Confident	89.1	Confident	87 Å²	87	45.8 Å²	45.8	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-58.3	-40.6	-178.4	-23.5	33.8	0	0	0	114	R72 R79	R72-P75 WeakPolarHBondContact O-CD 3.38Å; P75-R79 WeakPolarHBondContact O-CB 3.03Å; P75-R79 PolarHBondContact O-N 2.77Å; P75-R79 VanDerWaalsContact O-N 3.11Å
76	Q	90.4	Very high	89.5	Confident	46 Å²	46	48.9 Å²	48.9	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-74.2	-40.3	-177.9	-60.1	79.5	-5.9	0	0	111	L31 G34 R72 L73 K74 R79 L80	L31-Q76 HydrophobicContact CD1-CB 3.69Å; G34-Q76 PolarHBondContact O-NE2 3.23Å; R72-Q76 PolarHBondContact O-OE1 3.05Å; L73-Q76 PolarHBondContact O-N 3Å; L73-Q76 VanDerWaalsContact O-N 3.16Å; L73-Q76 PolarHBondContact O-OE1 2.86Å; K74-Q76 VanDerWaalsContact C-N 3.32Å; K74-Q76 PolarHBondContact O-N 3.15Å; Q76-R79 PolarHBondContact O-N 3.03Å; Q76-L80 WeakPolarHBondContact O-CB 3.28Å; Q76-L80 PolarHBondContact O-N 3.25Å
77	L	91.6	Very high	90	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-44.9	174.6	-68.7	175	0	0	0	111.2	L31 F62 L70 L73 K74 R79 L80 F81 L107 V111	L31-L77 HydrophobicContact CD2-CD2 4.42Å; F62-L77 HydrophobicContact CE1-CD1 4.38Å; F62-L77 HydrophobicContact CE1-CD2 4.21Å; F62-L77 HydrophobicContact CZ-CD2 3.97Å; L70-L77 HydrophobicContact CD1-CD1 4.13Å; L73-L77 HydrophobicContact CB-CD1 3.9Å; L73-L77 HydrophobicContact CB-CG 4.15Å; L73-L77 WeakPolarHBondContact O-CG 3.38Å; L73-L77 PolarHBondContact O-N 3.08Å; K74-L77 PolarHBondContact O-N 3.27Å; L77-R79 PolarHBondContact O-N 2.94Å; L77-L80 PolarHBondContact O-N 3.46Å; L77-F81 VanDerWaalsContact O-CB 3.26Å; L77-F81 WeakPolarHBondContact O-CB 3.06Å; L77-F81 PolarHBondContact O-N 3.01Å; L77-L107 HydrophobicContact CD2-CD2 4.03Å; L77-V111 HydrophobicContact CD1-CG2 4.08Å
78	N	91.6	Very high	90.7	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-50.3	176.4	-83.4	-109.7	0	0	0	111	K74 L80 F81 I82 I126 L127 L128 G129	K74-N78 WeakPolarHBondContact CG-ND2 3.21Å; K74-N78 WeakPolarHBondContact O-CB 3.42Å; K74-N78 PolarHBondContact O-N 3.24Å; K74-N78 PolarHBondContact O-ND2 3.2Å; N78-L80 PolarHBondContact O-N 3.46Å; N78-F81 PolarHBondContact O-N 3.39Å; N78-I82 VanDerWaalsContact O-CG1 3.31Å; N78-I82 WeakPolarHBondContact O-CG1 3.41Å; N78-I82 PolarHBondContact O-N 3.46Å; N78-I126 PolarHBondContact ND2-O 3.02Å; N78-L127 WeakPolarHBondContact CA-O 3.44Å; N78-L127 PolarHBondContact OD1-O 3.44Å; N78-L127 VanDerWaalsContact OD1-O 3.08Å; N78-L128 WeakPolarHBondContact OD1-CA 3.4Å; N78-L128 PolarHBondContact OD1-N 3.17Å; N78-G129 PolarHBondContact OD1-N 2.96Å
79	R	90.6	Very high	91.3	Very high	108 Å²	108	40.4 Å²	40.4	41%	0.408	20%	0.196	S	C	.	.	H	α-helix	trans	-59.5	-45.6	179.3	-174.4	177.2	-178.5	-169.8	-2.2	111.8	D36 T38 W45 P75 Q76 L77 Q83	D36-R79 IonicContact OD1-NH1 3.78Å; D36-R79 PolarHBondContact OD1-NH1 3.37Å; D36-R79 VanDerWaalsContact OD1-NH1 3.09Å; D36-R79 IonicContact OD2-NH1 3.35Å; D36-R79 PolarHBondContact OD2-NH1 3.34Å; D36-R79 VanDerWaalsContact OD2-NH1 3.15Å; T38-R79 PolarHBondContact OG1-NH1 3.08Å; T38-R79 PolarHBondContact OG1-NH2 2.89Å; T38-R79 VanDerWaalsContact OG1-NH2 3.09Å; W45-R79 HydrophobicContact CZ2-CG 4.25Å; P75-R79 WeakPolarHBondContact O-CB 3.03Å; P75-R79 PolarHBondContact O-N 2.77Å; P75-R79 VanDerWaalsContact O-N 3.11Å; Q76-R79 PolarHBondContact O-N 3.03Å; L77-R79 PolarHBondContact O-N 2.94Å; R79-Q83 WeakPolarHBondContact O-CB 3.35Å; R79-Q83 PolarHBondContact O-N 3Å
80	L	93.2	Very high	91.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-42.5	179.2	179.6	62.7	0	0	0	111.7	L31 I37 W45 F48 F49 Q76 L77 N78 Q83 C84 L107	L31-L80 HydrophobicContact CD2-CD2 3.66Å; I37-L80 HydrophobicContact CD1-CD1 4.35Å; W45-L80 HydrophobicContact CH2-CD1 4Å; W45-L80 HydrophobicContact CZ3-CD1 3.53Å; F48-L80 HydrophobicContact CE1-CD1 3.82Å; F48-L80 HydrophobicContact CZ-CD1 4.31Å; F49-L80 HydrophobicContact CZ-CD1 4.49Å; Q76-L80 WeakPolarHBondContact O-CB 3.28Å; Q76-L80 PolarHBondContact O-N 3.25Å; L77-L80 PolarHBondContact O-N 3.46Å; N78-L80 PolarHBondContact O-N 3.46Å; L80-Q83 PolarHBondContact O-N 3.3Å; L80-C84 PolarHBondContact O-N 3.02Å; L80-C84 PolarHBondContact O-SG 3.41Å; L80-L107 HydrophobicContact CB-CD1 4.4Å; L80-L107 HydrophobicContact CD2-CD1 3.69Å; L80-L107 HydrophobicContact CD2-CD2 3.9Å; L80-L107 HydrophobicContact CD2-CG 4.38Å; L80-L107 HydrophobicContact CG-CD1 3.67Å
81	F	94.7	Very high	91.5	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-46.8	-179.7	-160.6	-104.9	0	0	0	111.6	L77 N78 Q83 C84 L85 L104 L107 L108 L127 L128 F136 F167	L77-F81 VanDerWaalsContact O-CB 3.26Å; L77-F81 WeakPolarHBondContact O-CB 3.06Å; L77-F81 PolarHBondContact O-N 3.01Å; N78-F81 PolarHBondContact O-N 3.39Å; F81-Q83 VanDerWaalsContact C-N 3.34Å; F81-Q83 PolarHBondContact O-N 3.24Å; F81-C84 PolarHBondContact O-N 2.88Å; F81-L85 PolarHBondContact O-N 3.02Å; F81-L104 HydrophobicContact CD1-CD1 4.02Å; F81-L104 HydrophobicContact CD2-CD1 3.46Å; F81-L104 VanDerWaalsContact CD2-CD1 3.46Å; F81-L104 HydrophobicContact CD2-CG 4.42Å; F81-L104 HydrophobicContact CE1-CD1 3.92Å; F81-L104 HydrophobicContact CE2-CD1 3.34Å; F81-L104 HydrophobicContact CE2-CG 3.92Å; F81-L104 WeakPolarHBondContact CE2-O 3.24Å; F81-L104 HydrophobicContact CG-CD1 3.81Å; F81-L104 HydrophobicContact CZ-CD1 3.58Å; F81-L104 HydrophobicContact CZ-CG 4.16Å; F81-L104 WeakPolarHBondContact O-CD1 3.48Å; F81-L107 HydrophobicContact CD2-CB 3.9Å; F81-L107 HydrophobicContact CD2-CD1 4.14Å; F81-L107 HydrophobicContact CE2-CB 4.26Å; F81-L108 HydrophobicContact CE2-CB 4.01Å; F81-L108 HydrophobicContact CZ-CB 4.32Å; F81-L127 HydrophobicContact CD1-CB 4.36Å; F81-L127 HydrophobicContact CD2-CD2 3.86Å; F81-L127 HydrophobicContact CE1-CB 4.45Å; F81-L127 HydrophobicContact CE2-CD1 4.3Å; F81-L127 HydrophobicContact CE2-CD2 4.11Å; F81-L127 HydrophobicContact CG-CD2 4.2Å; F81-L127 HydrophobicContact CZ-CD1 4.26Å; F81-L128 HydrophobicContact CD1-CD1 4.23Å; F81-L128 HydrophobicContact CD1-CD2 4Å; F81-L128 HydrophobicContact CD1-CG 3.98Å; F81-L128 HydrophobicContact CE1-CD1 3.94Å; F81-L128 HydrophobicContact CE1-CG 4.18Å; F81-F136 HydrophobicContact CD1-CE1 4.23Å; F81-F136 AromaticContact CD1-CE2 3.74Å; F81-F136 HydrophobicContact CD1-CE2 3.74Å; F81-F136 AromaticContact CD1-CZ 3.58Å; F81-F136 HydrophobicContact CD1-CZ 3.58Å; F81-F136 HydrophobicContact CE1-CD1 4.4Å; F81-F136 AromaticContact CE1-CE1 3.57Å; F81-F136 HydrophobicContact CE1-CE1 3.57Å; F81-F136 AromaticContact CE1-CE2 3.95Å; F81-F136 HydrophobicContact CE1-CE2 3.95Å; F81-F136 AromaticContact CE1-CZ 3.29Å; F81-F136 HydrophobicContact CE1-CZ 3.29Å; F81-F136 HydrophobicContact CZ-CE1 4.39Å; F81-F136 HydrophobicContact CZ-CZ 4.16Å; F81-F167 HydrophobicContact CE1-CZ 4.48Å; F81-F167 HydrophobicContact CZ-CE1 4.31Å; F81-F167 AromaticContact CZ-CZ 3.86Å; F81-F167 HydrophobicContact CZ-CZ 3.86Å
82	I	93.8	Very high	91.5	Very high	57 Å²	57	47.1 Å²	47.1	29%	0.292	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-44.4	174.5	-66.9	167.5	0	0	0	110.9	N78 C84 L85 Q86 L128 F136	N78-I82 VanDerWaalsContact O-CG1 3.31Å; N78-I82 WeakPolarHBondContact O-CG1 3.41Å; N78-I82 PolarHBondContact O-N 3.46Å; I82-C84 VanDerWaalsContact C-N 3.33Å; I82-C84 PolarHBondContact O-N 3.45Å; I82-L85 PolarHBondContact O-N 3.22Å; I82-Q86 HydrophobicContact CG2-CG 4.42Å; I82-Q86 PolarHBondContact O-N 2.97Å; I82-L128 HydrophobicContact CG1-CD2 4.01Å; I82-F136 HydrophobicContact CG1-CD2 4.41Å
83	Q	94.2	Very high	91.6	Very high	41 Å²	41	44 Å²	44	19%	0.192	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-33.9	-179.1	-164	73.7	24.2	0	0	112.9	W45 F49 R79 L80 F81 L85 Q86 T87	W45-Q83 HydrophobicContact CB-CG 4.31Å; W45-Q83 HydrophobicContact CD2-CB 4.38Å; W45-Q83 HydrophobicContact CD2-CG 3.48Å; W45-Q83 VanDerWaalsContact CD2-CG 3.48Å; W45-Q83 HydrophobicContact CE3-CB 4.41Å; W45-Q83 HydrophobicContact CE3-CG 3.8Å; W45-Q83 HydrophobicContact CG-CG 3.72Å; W45-Q83 HydrophobicContact CH2-CB 4.22Å; W45-Q83 HydrophobicContact CH2-CG 4.34Å; W45-Q83 HydrophobicContact CZ2-CB 4.17Å; W45-Q83 HydrophobicContact CZ2-CG 4.06Å; W45-Q83 HydrophobicContact CZ3-CB 4.34Å; W45-Q83 HydrophobicContact CZ3-CG 4.22Å; F49-Q83 HydrophobicContact CE2-CG 3.93Å; F49-Q83 HydrophobicContact CZ-CG 4.39Å; R79-Q83 WeakPolarHBondContact O-CB 3.35Å; R79-Q83 PolarHBondContact O-N 3Å; L80-Q83 PolarHBondContact O-N 3.3Å; F81-Q83 VanDerWaalsContact C-N 3.34Å; F81-Q83 PolarHBondContact O-N 3.24Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.06Å; Q83-Q86 PolarHBondContact O-N 3.32Å; Q83-T87 WeakPolarHBondContact O-CB 3.2Å; Q83-T87 PolarHBondContact O-N 3.31Å; Q83-T87 PolarHBondContact O-OG1 2.92Å
84	C	96.4	Very high	91.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-46.1	174.1	-67.7	0	0	0	0	110.3	F49 L80 F81 I82 T87 A88 A100 L104	F49-C84 HydrophobicContact CE1-CB 4.45Å; F49-C84 HydrophobicContact CZ-CB 4.39Å; L80-C84 PolarHBondContact O-N 3.02Å; L80-C84 PolarHBondContact O-SG 3.41Å; F81-C84 PolarHBondContact O-N 2.88Å; I82-C84 VanDerWaalsContact C-N 3.33Å; I82-C84 PolarHBondContact O-N 3.45Å; C84-T87 PolarHBondContact O-N 2.76Å; C84-A88 WeakPolarHBondContact O-CB 3.37Å; C84-A88 PolarHBondContact O-N 3.49Å; C84-A100 WeakPolarHBondContact O-CB 3.49Å; C84-L104 HydrophobicContact CB-CB 3.9Å; C84-L104 HydrophobicContact CB-CD1 3.84Å; C84-L104 HydrophobicContact CB-CG 4.47Å
85	L	96.4	Very high	91.7	Very high	6 Å²	6	46 Å²	46	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-47.2	177.5	180	60.8	0	0	0	112.1	F81 I82 Q83 T87 A88 Q89 F136 N139 Y140 L143	F81-L85 PolarHBondContact O-N 3.02Å; I82-L85 PolarHBondContact O-N 3.22Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.06Å; L85-T87 VanDerWaalsContact C-N 3.32Å; L85-T87 PolarHBondContact O-N 2.74Å; L85-A88 PolarHBondContact O-N 2.91Å; L85-Q89 WeakPolarHBondContact O-CB 3.46Å; L85-Q89 PolarHBondContact O-N 3.09Å; L85-F136 HydrophobicContact CB-CD2 4.42Å; L85-F136 HydrophobicContact CB-CE2 3.56Å; L85-F136 HydrophobicContact CB-CZ 3.85Å; L85-F136 HydrophobicContact CD2-CD1 4.15Å; L85-F136 HydrophobicContact CD2-CD2 3.51Å; L85-F136 HydrophobicContact CD2-CE1 4Å; L85-F136 HydrophobicContact CD2-CE2 3.36Å; L85-F136 HydrophobicContact CD2-CG 3.91Å; L85-F136 HydrophobicContact CD2-CZ 3.61Å; L85-F136 WeakPolarHBondContact CD2-O 3.38Å; L85-F136 HydrophobicContact CG-CE2 4.08Å; L85-F136 HydrophobicContact CG-CZ 4.26Å; L85-N139 HydrophobicContact CD2-CB 3.86Å; L85-Y140 HydrophobicContact CD1-CD2 4.17Å; L85-L143 HydrophobicContact CD1-CB 4.39Å; L85-L143 HydrophobicContact CD1-CD2 3.7Å
86	Q	94.9	Very high	91.9	Very high	88 Å²	88	44.2 Å²	44.2	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-59.7	-42.9	178.8	-73	-177.8	-15.6	0	0	112.3	I82 Q83 Q89 Y90	I82-Q86 HydrophobicContact CG2-CG 4.42Å; I82-Q86 PolarHBondContact O-N 2.97Å; Q83-Q86 PolarHBondContact O-N 3.32Å; Q86-Q89 PolarHBondContact O-N 3.09Å; Q86-Y90 HydrophobicContact CB-CD2 4.5Å; Q86-Y90 VanDerWaalsContact O-CD2 3.24Å; Q86-Y90 WeakPolarHBondContact O-CD2 3.33Å; Q86-Y90 PolarHBondContact O-N 3.24Å
87	T	94.8	Very high	92.1	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-42.3	178	-51.5	0	0	0	0	110.6	F49 Q83 C84 L85 Q89 D91 R96 A100	F49-T87 HydrophobicContact CB-CG2 4.17Å; F49-T87 HydrophobicContact CD2-CG2 3.58Å; F49-T87 WeakPolarHBondContact CD2-OG1 3.13Å; F49-T87 HydrophobicContact CE2-CG2 4.17Å; F49-T87 WeakPolarHBondContact CE2-OG1 3.37Å; F49-T87 HydrophobicContact CG-CG2 3.96Å; Q83-T87 WeakPolarHBondContact O-CB 3.2Å; Q83-T87 PolarHBondContact O-N 3.31Å; Q83-T87 PolarHBondContact O-OG1 2.92Å; C84-T87 PolarHBondContact O-N 2.76Å; L85-T87 VanDerWaalsContact C-N 3.32Å; L85-T87 PolarHBondContact O-N 2.74Å; T87-Q89 VanDerWaalsContact C-N 3.26Å; T87-Q89 PolarHBondContact O-N 3.3Å; T87-D91 HydrophobicContact CG2-CB 4.02Å; T87-D91 WeakPolarHBondContact O-CB 3.48Å; T87-D91 PolarHBondContact O-N 2.96Å; T87-D91 VanDerWaalsContact O-N 3.08Å; T87-R96 HydrophobicContact CG2-CB 4.46Å; T87-A100 HydrophobicContact CG2-CB 4.28Å
88	A	95.2	Very high	92.2	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-31.3	177.4	0	0	0	0	0	113.1	C84 L85 V97 A100 I101 L143	C84-A88 WeakPolarHBondContact O-CB 3.37Å; C84-A88 PolarHBondContact O-N 3.49Å; L85-A88 PolarHBondContact O-N 2.91Å; A88-V97 HydrophobicContact CB-CG1 4.31Å; A88-A100 HydrophobicContact CB-CB 4.32Å; A88-I101 HydrophobicContact CB-CD1 4.5Å; A88-I101 HydrophobicContact CB-CG1 3.91Å; A88-L143 HydrophobicContact CB-CD1 4.35Å; A88-L143 HydrophobicContact CB-CD2 3.62Å; A88-L143 WeakPolarHBondContact O-CD1 3.36Å
89	Q	92.7	Very high	92.3	Very high	54 Å²	54	41.2 Å²	41.2	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-83.3	-37.9	-177.1	-167.3	177	7.7	0	0	114.1	L85 Q86 T87 L143	L85-Q89 WeakPolarHBondContact O-CB 3.46Å; L85-Q89 PolarHBondContact O-N 3.09Å; Q86-Q89 PolarHBondContact O-N 3.09Å; T87-Q89 VanDerWaalsContact C-N 3.26Å; T87-Q89 PolarHBondContact O-N 3.3Å; Q89-L143 HydrophobicContact CB-CD1 4.4Å
90	Y	88.8	Confident	92.5	Very high	168 Å²	168	36.1 Å²	36.1	66%	0.659	18%	0.183	S	C	*	.	H	α-helix	trans	-112	-13.3	-169.4	-60.1	-68.6	0	0	0	114.5	Q86	Q86-Y90 HydrophobicContact CB-CD2 4.5Å; Q86-Y90 VanDerWaalsContact O-CD2 3.24Å; Q86-Y90 WeakPolarHBondContact O-CD2 3.33Å; Q86-Y90 PolarHBondContact O-N 3.24Å
91	D	85.9	Confident	92.7	Very high	26 Å²	26	36.1 Å²	36.1	14%	0.139	18%	0.183	C	C	.	.			trans	-81.4	127.8	-179.4	-158.5	-39.6	0	0	0	111.2	T87 H93 R96 V97	T87-D91 HydrophobicContact CG2-CB 4.02Å; T87-D91 WeakPolarHBondContact O-CB 3.48Å; T87-D91 PolarHBondContact O-N 2.96Å; T87-D91 VanDerWaalsContact O-N 3.08Å; D91-H93 VanDerWaalsContact C-N 3.26Å; D91-H93 PolarHBondContact O-N 3.15Å; D91-H93 WeakPolarHBondContact OD1-CB 3.31Å; D91-H93 PolarHBondContact OD1-N 2.69Å; D91-R96 VanDerWaalsContact CG-NH2 3.3Å; D91-R96 IonicContact OD1-CZ 2.9Å; D91-R96 IonicContact OD1-NE 2.93Å; D91-R96 PolarHBondContact OD1-NE 3.03Å; D91-R96 IonicContact OD1-NH2 3.06Å; D91-R96 PolarHBondContact OD1-NH2 2.99Å; D91-R96 WeakPolarHBondContact OD2-CD 3.35Å; D91-R96 IonicContact OD2-CZ 3.4Å; D91-R96 IonicContact OD2-NE 2.65Å; D91-R96 PolarHBondContact OD2-NE 2.92Å; D91-R96 IonicContact OD2-NH1 2.78Å; D91-R96 PolarHBondContact OD2-NH1 3.18Å; D91-R96 IonicContact OD2-NH2 3.75Å; D91-R96 PolarHBondContact OD2-NH2 3.24Å; D91-V97 HydrophobicContact CB-CG2 4.21Å; D91-V97 WeakPolarHBondContact O-CG2 3.31Å
92	G	83.5	Confident	92.7	Very high	75 Å²	75	36.1 Å²	36.1	77%	0.773	18%	0.183	S	C	*	.			trans	-74.7	-15.2	174.6	0	0	0	0	0	113.7	R94	G92-R94 PolarHBondContact O-N 3.09Å
93	H	89.2	Confident	92.7	Very high	77 Å²	77	33.6 Å²	33.6	36%	0.356	17%	0.17	S	C	.	.			trans	-85.1	104.4	-175.7	-165.8	-80.9	0	0	0	111.4	D91 I95 R96 V97	D91-H93 VanDerWaalsContact C-N 3.26Å; D91-H93 PolarHBondContact O-N 3.15Å; D91-H93 WeakPolarHBondContact OD1-CB 3.31Å; D91-H93 PolarHBondContact OD1-N 2.69Å; H93-I95 VanDerWaalsContact C-N 3.27Å; H93-I95 PolarHBondContact O-N 3.32Å; H93-I95 VanDerWaalsContact O-N 3.08Å; H93-R96 HydrophobicContact CB-CB 4.28Å; H93-R96 HydrophobicContact CB-CG 4.26Å; H93-R96 WeakPolarHBondContact O-CA 3.45Å; H93-R96 WeakPolarHBondContact O-CB 3.31Å; H93-R96 PolarHBondContact O-N 3.41Å; H93-V97 PolarHBondContact O-N 3.1Å; H93-V97 VanDerWaalsContact O-N 3.1Å
94	R	89.7	Confident	92.8	Very high	60 Å²	60	31.7 Å²	31.7	23%	0.226	16%	0.162	C	C	.	.	H	α-helix	trans	-50.3	-38.7	-174.3	-64.5	171.2	-179.8	174.6	5.4	114.7	G92 A98 L156 L765 I768 P769	G92-R94 PolarHBondContact O-N 3.09Å; R94-A98 WeakPolarHBondContact O-CB 3.3Å; R94-A98 PolarHBondContact O-N 3.18Å; R94-L156 HydrophobicContact CB-CD1 4.21Å; R94-L156 HydrophobicContact CG-CD1 4.17Å; R94-L765 HydrophobicContact CB-CB 4.16Å; R94-I768 PolarHBondContact NH1-O 3.31Å; R94-P769 VanDerWaalsContact CZ-O 3.24Å; R94-P769 PolarHBondContact NH1-O 3.04Å; R94-P769 PolarHBondContact NH2-O 3.05Å; R94-P769 PolarHBondContact NH2-OXT 2.77Å; R94-P769 VanDerWaalsContact NH2-OXT 3.14Å
95	I	90.3	Very high	92.7	Very high	32 Å²	32	32.2 Å²	32.2	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-37.8	177.7	-64.6	168.1	0	0	0	111.5	H93 A98 N99 L765	H93-I95 VanDerWaalsContact C-N 3.27Å; H93-I95 PolarHBondContact O-N 3.32Å; H93-I95 VanDerWaalsContact O-N 3.08Å; I95-A98 PolarHBondContact O-N 3.44Å; I95-N99 WeakPolarHBondContact CG2-ND2 3.49Å; I95-N99 WeakPolarHBondContact O-CB 3.33Å; I95-N99 PolarHBondContact O-N 2.97Å; I95-N99 PolarHBondContact O-ND2 3.4Å; I95-L765 HydrophobicContact CG1-CB 4.14Å
96	R	92.3	Very high	92.6	Very high	48 Å²	48	32.2 Å²	32.2	18%	0.181	17%	0.165	C	C	.	.	H	α-helix	trans	-68.4	-41.5	178.9	-70.6	-168.3	-75.3	171.6	12.2	110	D46 F49 L50 T87 D91 H93 N99 A100	D46-R96 WeakPolarHBondContact O-CD 3.49Å; D46-R96 IonicContact OD1-CZ 3.37Å; D46-R96 IonicContact OD1-NH1 3.48Å; D46-R96 PolarHBondContact OD1-NH1 3.29Å; F49-R96 HydrophobicContact CB-CB 4.06Å; F49-R96 HydrophobicContact CB-CG 4.21Å; L50-R96 HydrophobicContact CB-CG 4.34Å; L50-R96 HydrophobicContact CD1-CG 3.91Å; T87-R96 HydrophobicContact CG2-CB 4.46Å; D91-R96 VanDerWaalsContact CG-NH2 3.3Å; D91-R96 IonicContact OD1-CZ 2.9Å; D91-R96 IonicContact OD1-NE 2.93Å; D91-R96 PolarHBondContact OD1-NE 3.03Å; D91-R96 IonicContact OD1-NH2 3.06Å; D91-R96 PolarHBondContact OD1-NH2 2.99Å; D91-R96 WeakPolarHBondContact OD2-CD 3.35Å; D91-R96 IonicContact OD2-CZ 3.4Å; D91-R96 IonicContact OD2-NE 2.65Å; D91-R96 PolarHBondContact OD2-NE 2.92Å; D91-R96 IonicContact OD2-NH1 2.78Å; D91-R96 PolarHBondContact OD2-NH1 3.18Å; D91-R96 IonicContact OD2-NH2 3.75Å; D91-R96 PolarHBondContact OD2-NH2 3.24Å; H93-R96 HydrophobicContact CB-CB 4.28Å; H93-R96 HydrophobicContact CB-CG 4.26Å; H93-R96 WeakPolarHBondContact O-CA 3.45Å; H93-R96 WeakPolarHBondContact O-CB 3.31Å; H93-R96 PolarHBondContact O-N 3.41Å; R96-N99 PolarHBondContact O-N 3.38Å; R96-A100 WeakPolarHBondContact O-CB 3.28Å; R96-A100 PolarHBondContact O-N 2.93Å
97	V	94.3	Very high	92.6	Very high	6 Å²	6	28 Å²	28	4%	0.036	15%	0.145	C	C	.	.	H	α-helix	trans	-56	-52.8	171.3	175.7	0	0	0	0	110.9	A88 D91 H93 N99 A100 I101 L147 L156	A88-V97 HydrophobicContact CB-CG1 4.31Å; D91-V97 HydrophobicContact CB-CG2 4.21Å; D91-V97 WeakPolarHBondContact O-CG2 3.31Å; H93-V97 PolarHBondContact O-N 3.1Å; H93-V97 VanDerWaalsContact O-N 3.1Å; V97-N99 PolarHBondContact O-N 3.32Å; V97-A100 PolarHBondContact O-N 3.1Å; V97-I101 HydrophobicContact CG1-CD1 3.98Å; V97-I101 WeakPolarHBondContact O-CG1 3.36Å; V97-I101 PolarHBondContact O-N 3.08Å; V97-L147 HydrophobicContact CG1-CD1 4.08Å; V97-L147 HydrophobicContact CG1-CD2 4.44Å; V97-L156 HydrophobicContact CG1-CD2 4.31Å
98	A	93.9	Very high	92.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-48.5	179.9	0	0	0	0	0	112.6	R94 I95 A100 I101 Q102 L156 L159 L762 L765	R94-A98 WeakPolarHBondContact O-CB 3.3Å; R94-A98 PolarHBondContact O-N 3.18Å; I95-A98 PolarHBondContact O-N 3.44Å; A98-A100 VanDerWaalsContact C-N 3.29Å; A98-A100 PolarHBondContact O-N 3.29Å; A98-I101 PolarHBondContact O-N 3.03Å; A98-Q102 WeakPolarHBondContact O-CG 3.41Å; A98-Q102 PolarHBondContact O-N 2.94Å; A98-L156 HydrophobicContact CB-CD2 3.81Å; A98-L159 HydrophobicContact CB-CD1 3.63Å; A98-L762 HydrophobicContact CB-CD2 3.44Å; A98-L762 VanDerWaalsContact CB-CD2 3.44Å; A98-L765 HydrophobicContact CB-CD1 4.01Å
99	N	93.6	Very high	92.3	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-35.4	179	-71.8	-20.7	0	0	0	112.1	F49 L51 P53 I95 R96 V97 T103 L762	F49-N99 VanDerWaalsContact O-CB 3.27Å; F49-N99 WeakPolarHBondContact O-CB 3.46Å; F49-N99 PolarHBondContact O-ND2 3.24Å; L51-N99 PolarHBondContact O-ND2 2.85Å; L51-N99 VanDerWaalsContact O-ND2 3.16Å; P53-N99 VanDerWaalsContact CD-CG 3.41Å; P53-N99 WeakPolarHBondContact CD-OD1 3.17Å; P53-N99 HydrophobicContact CG-CB 4.14Å; I95-N99 WeakPolarHBondContact CG2-ND2 3.49Å; I95-N99 WeakPolarHBondContact O-CB 3.33Å; I95-N99 PolarHBondContact O-N 2.97Å; I95-N99 PolarHBondContact O-ND2 3.4Å; R96-N99 PolarHBondContact O-N 3.38Å; V97-N99 PolarHBondContact O-N 3.32Å; N99-T103 WeakPolarHBondContact O-CB 3.17Å; N99-T103 PolarHBondContact O-N 3.02Å; N99-T103 PolarHBondContact O-OG1 3.27Å; N99-L762 WeakPolarHBondContact OD1-CD1 3.44Å
100	A	95.6	Very high	92.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-45.3	176	0	0	0	0	0	111.5	F49 C84 T87 A88 R96 V97 A98 T103 L104	F49-A100 HydrophobicContact CD1-CB 3.69Å; F49-A100 HydrophobicContact CE1-CB 3.83Å; F49-A100 HydrophobicContact CG-CB 4.24Å; F49-A100 HydrophobicContact CZ-CB 4.48Å; C84-A100 WeakPolarHBondContact O-CB 3.49Å; T87-A100 HydrophobicContact CG2-CB 4.28Å; A88-A100 HydrophobicContact CB-CB 4.32Å; R96-A100 WeakPolarHBondContact O-CB 3.28Å; R96-A100 PolarHBondContact O-N 2.93Å; V97-A100 PolarHBondContact O-N 3.1Å; A98-A100 VanDerWaalsContact C-N 3.29Å; A98-A100 PolarHBondContact O-N 3.29Å; A100-T103 PolarHBondContact O-N 3.4Å; A100-L104 WeakPolarHBondContact O-CB 3.49Å; A100-L104 PolarHBondContact O-N 2.72Å
101	I	96	Very high	92.2	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-61.5	-47.4	175.7	-64.4	166.2	0	0	0	110.8	A88 V97 A98 T103 L104 D105 L147	A88-I101 HydrophobicContact CB-CD1 4.5Å; A88-I101 HydrophobicContact CB-CG1 3.91Å; V97-I101 HydrophobicContact CG1-CD1 3.98Å; V97-I101 WeakPolarHBondContact O-CG1 3.36Å; V97-I101 PolarHBondContact O-N 3.08Å; A98-I101 PolarHBondContact O-N 3.03Å; I101-T103 VanDerWaalsContact C-N 3.29Å; I101-T103 PolarHBondContact O-N 3.17Å; I101-L104 VanDerWaalsContact O-CB 3.28Å; I101-L104 WeakPolarHBondContact O-CB 3.24Å; I101-L104 PolarHBondContact O-N 3.45Å; I101-L104 VanDerWaalsContact O-N 3.14Å; I101-D105 PolarHBondContact O-N 2.88Å; I101-L147 HydrophobicContact CD1-CD1 3.53Å
102	Q	94.7	Very high	92.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-37.7	178.6	-67.8	-175.5	-25.9	0	0	112.7	P53 L55 A98 C106 L159 S755	P53-Q102 HydrophobicContact CG-CB 4.25Å; L55-Q102 HydrophobicContact CD1-CB 4.44Å; L55-Q102 HydrophobicContact CD2-CB 4.1Å; A98-Q102 WeakPolarHBondContact O-CG 3.41Å; A98-Q102 PolarHBondContact O-N 2.94Å; Q102-C106 WeakPolarHBondContact O-CB 3.45Å; Q102-C106 PolarHBondContact O-N 3.5Å; Q102-C106 VanDerWaalsContact O-N 3.11Å; Q102-L159 HydrophobicContact CG-CD2 3.66Å; Q102-S755 WeakPolarHBondContact CG-OG 3.28Å; Q102-S755 PolarHBondContact NE2-O 3.31Å; Q102-S755 PolarHBondContact NE2-OG 2.8Å
103	T	94.9	Very high	92.3	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-67.4	-42.2	175.8	-56	0	0	0	0	110.4	L58 N99 A100 I101 C106 L107	L58-T103 HydrophobicContact CD2-CG2 4.33Å; N99-T103 WeakPolarHBondContact O-CB 3.17Å; N99-T103 PolarHBondContact O-N 3.02Å; N99-T103 PolarHBondContact O-OG1 3.27Å; A100-T103 PolarHBondContact O-N 3.4Å; I101-T103 VanDerWaalsContact C-N 3.29Å; I101-T103 PolarHBondContact O-N 3.17Å; T103-C106 PolarHBondContact O-N 3.12Å; T103-L107 HydrophobicContact CG2-CD1 4.14Å; T103-L107 HydrophobicContact CG2-CG 4.42Å; T103-L107 VanDerWaalsContact O-CG 3.23Å; T103-L107 WeakPolarHBondContact O-CG 3.35Å; T103-L107 PolarHBondContact O-N 3.5Å
104	L	95.9	Very high	91.9	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-54.9	-52.8	175.1	-173.7	73.9	0	0	0	111.4	F81 C84 A100 I101 C106 L107 L108 F136 Y140 F167	F81-L104 HydrophobicContact CD1-CD1 4.02Å; F81-L104 HydrophobicContact CD2-CD1 3.46Å; F81-L104 VanDerWaalsContact CD2-CD1 3.46Å; F81-L104 HydrophobicContact CD2-CG 4.42Å; F81-L104 HydrophobicContact CE1-CD1 3.92Å; F81-L104 HydrophobicContact CE2-CD1 3.34Å; F81-L104 HydrophobicContact CE2-CG 3.92Å; F81-L104 WeakPolarHBondContact CE2-O 3.24Å; F81-L104 HydrophobicContact CG-CD1 3.81Å; F81-L104 HydrophobicContact CZ-CD1 3.58Å; F81-L104 HydrophobicContact CZ-CG 4.16Å; F81-L104 WeakPolarHBondContact O-CD1 3.48Å; C84-L104 HydrophobicContact CB-CB 3.9Å; C84-L104 HydrophobicContact CB-CD1 3.84Å; C84-L104 HydrophobicContact CB-CG 4.47Å; A100-L104 WeakPolarHBondContact O-CB 3.49Å; A100-L104 PolarHBondContact O-N 2.72Å; I101-L104 VanDerWaalsContact O-CB 3.28Å; I101-L104 WeakPolarHBondContact O-CB 3.24Å; I101-L104 PolarHBondContact O-N 3.45Å; I101-L104 VanDerWaalsContact O-N 3.14Å; L104-C106 VanDerWaalsContact C-N 3.31Å; L104-C106 PolarHBondContact O-N 3.3Å; L104-L107 PolarHBondContact O-N 3.24Å; L104-L108 PolarHBondContact O-N 3.3Å; L104-F136 HydrophobicContact CD1-CZ 3.99Å; L104-Y140 HydrophobicContact CD2-CD2 4.33Å; L104-Y140 HydrophobicContact CD2-CE2 4.21Å; L104-F167 HydrophobicContact CD2-CE2 3.97Å; L104-F167 HydrophobicContact CD2-CZ 4.08Å; L104-F167 HydrophobicContact CG-CE2 4.34Å; L104-F167 HydrophobicContact CG-CZ 4.36Å
105	D	95.2	Very high	91.1	Very high	10 Å²	10	18.2 Å²	18.2	5%	0.053	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-38.9	-178.5	-66.6	-18.2	0	0	0	112.2	I101 L108 S109 S163 T166	I101-D105 PolarHBondContact O-N 2.88Å; D105-L108 PolarHBondContact O-N 3.33Å; D105-S109 WeakPolarHBondContact O-CB 3.03Å; D105-S109 PolarHBondContact O-N 3.36Å; D105-S109 PolarHBondContact O-OG 2.98Å; D105-S163 WeakPolarHBondContact OD1-CA 3.41Å; D105-S163 VanDerWaalsContact OD1-CB 3.24Å; D105-S163 WeakPolarHBondContact OD1-CB 3.39Å; D105-S163 PolarHBondContact OD1-OG 3.13Å; D105-S163 WeakPolarHBondContact OD2-CA 3.21Å; D105-S163 VanDerWaalsContact OD2-CB 3.32Å; D105-S163 WeakPolarHBondContact OD2-CB 3.47Å; D105-T166 HydrophobicContact CB-CG2 4.14Å
106	C	94	Very high	89.8	Confident	6 Å²	6	18.9 Å²	18.9	4%	0.041	9%	0.092	C	C	.	.	H	α-helix	trans	-69.5	-36.1	177.9	-169.6	0	0	0	0	112.3	L55 L58 S59 Q102 T103 L104 G110	L55-C106 HydrophobicContact CD2-CB 4.02Å; L58-C106 HydrophobicContact CD2-CB 3.92Å; S59-C106 PolarHBondContact OG-SG 2.98Å; Q102-C106 WeakPolarHBondContact O-CB 3.45Å; Q102-C106 PolarHBondContact O-N 3.5Å; Q102-C106 VanDerWaalsContact O-N 3.11Å; T103-C106 PolarHBondContact O-N 3.12Å; L104-C106 VanDerWaalsContact C-N 3.31Å; L104-C106 PolarHBondContact O-N 3.3Å; C106-G110 WeakPolarHBondContact O-CA 3.14Å; C106-G110 PolarHBondContact O-N 2.64Å
107	L	94	Very high	88.3	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-46.8	173.8	-69.2	167.8	0	0	0	110.6	L58 F62 L77 L80 F81 T103 L104 S109 G110 V111	L58-L107 HydrophobicContact CD2-CD2 4.47Å; F62-L107 HydrophobicContact CE2-CD2 3.99Å; F62-L107 HydrophobicContact CZ-CD2 3.76Å; L77-L107 HydrophobicContact CD2-CD2 4.03Å; L80-L107 HydrophobicContact CB-CD1 4.4Å; L80-L107 HydrophobicContact CD2-CD1 3.69Å; L80-L107 HydrophobicContact CD2-CD2 3.9Å; L80-L107 HydrophobicContact CD2-CG 4.38Å; L80-L107 HydrophobicContact CG-CD1 3.67Å; F81-L107 HydrophobicContact CD2-CB 3.9Å; F81-L107 HydrophobicContact CD2-CD1 4.14Å; F81-L107 HydrophobicContact CE2-CB 4.26Å; T103-L107 HydrophobicContact CG2-CD1 4.14Å; T103-L107 HydrophobicContact CG2-CG 4.42Å; T103-L107 VanDerWaalsContact O-CG 3.23Å; T103-L107 WeakPolarHBondContact O-CG 3.35Å; T103-L107 PolarHBondContact O-N 3.5Å; L104-L107 PolarHBondContact O-N 3.24Å; L107-S109 PolarHBondContact O-N 2.93Å; L107-G110 PolarHBondContact O-N 3.48Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 3.12Å
108	L	93.8	Very high	86.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-52.2	178.4	176.9	58.9	0	0	0	111.5	F81 L104 D105 G110 H112 L123 L127 T166 F167 V170 F179	F81-L108 HydrophobicContact CE2-CB 4.01Å; F81-L108 HydrophobicContact CZ-CB 4.32Å; L104-L108 PolarHBondContact O-N 3.3Å; D105-L108 PolarHBondContact O-N 3.33Å; L108-G110 VanDerWaalsContact C-N 3.35Å; L108-G110 PolarHBondContact O-N 2.93Å; L108-H112 PolarHBondContact O-N 3.4Å; L108-L123 HydrophobicContact CD1-CD2 3.99Å; L108-L123 HydrophobicContact CD1-CG 4.49Å; L108-L127 HydrophobicContact CB-CD1 4.46Å; L108-L127 HydrophobicContact CD1-CD1 3.43Å; L108-L127 VanDerWaalsContact CD1-CD1 3.43Å; L108-T166 HydrophobicContact CD2-CG2 4.27Å; L108-F167 HydrophobicContact CD2-CB 4.29Å; L108-F167 HydrophobicContact CD2-CD1 3.76Å; L108-F167 HydrophobicContact CD2-CD2 3.59Å; L108-F167 HydrophobicContact CD2-CE1 3.93Å; L108-F167 HydrophobicContact CD2-CE2 3.77Å; L108-F167 HydrophobicContact CD2-CG 3.6Å; L108-F167 HydrophobicContact CD2-CZ 3.94Å; L108-V170 HydrophobicContact CD1-CB 4.41Å; L108-V170 HydrophobicContact CD1-CG1 4.49Å; L108-V170 HydrophobicContact CD1-CG2 3.85Å; L108-V170 HydrophobicContact CD2-CB 4.44Å; L108-V170 HydrophobicContact CD2-CG2 4.44Å; L108-V170 HydrophobicContact CG-CB 4.29Å; L108-V170 HydrophobicContact CG-CG2 3.77Å; L108-F179 HydrophobicContact CD1-CD2 4.49Å; L108-F179 HydrophobicContact CD1-CE2 3.67Å; L108-F179 HydrophobicContact CD1-CZ 4.2Å
109	S	91	Very high	84.6	Confident	26 Å²	26	29.7 Å²	29.7	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-38.7	179	-63	0	0	0	0	112.5	D105 L107 K113 T166	D105-S109 WeakPolarHBondContact O-CB 3.03Å; D105-S109 PolarHBondContact O-N 3.36Å; D105-S109 PolarHBondContact O-OG 2.98Å; L107-S109 PolarHBondContact O-N 2.93Å; S109-K113 WeakPolarHBondContact O-CG 3.41Å; S109-K113 PolarHBondContact O-N 2.86Å; S109-T166 WeakPolarHBondContact OG-CG2 3.47Å
110	G	89.7	Confident	83	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-48.6	180	0	0	0	0	0	112.8	C106 L107 L108 H112 K113 C114	C106-G110 WeakPolarHBondContact O-CA 3.14Å; C106-G110 PolarHBondContact O-N 2.64Å; L107-G110 PolarHBondContact O-N 3.48Å; L108-G110 VanDerWaalsContact C-N 3.35Å; L108-G110 PolarHBondContact O-N 2.93Å; G110-H112 VanDerWaalsContact C-N 3.31Å; G110-H112 PolarHBondContact O-N 3.24Å; G110-K113 PolarHBondContact O-N 3.28Å; G110-C114 PolarHBondContact O-N 3.29Å; G110-C114 PolarHBondContact O-SG 3.03Å; G110-C114 VanDerWaalsContact O-SG 3.39Å
111	V	89.5	Confident	81.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-41.3	177.1	174.2	0	0	0	0	111	F62 L70 L77 L107 K113 C114 R115 L123 I126 L127	F62-V111 HydrophobicContact CE1-CG2 3.67Å; F62-V111 HydrophobicContact CZ-CG2 4.07Å; L70-V111 HydrophobicContact CD1-CG2 4.35Å; L70-V111 HydrophobicContact CD2-CG1 4.16Å; L77-V111 HydrophobicContact CD1-CG2 4.08Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 3.12Å; V111-K113 PolarHBondContact O-N 3.2Å; V111-C114 PolarHBondContact O-N 3.19Å; V111-R115 PolarHBondContact O-N 3.31Å; V111-L123 HydrophobicContact CB-CD1 4.22Å; V111-L123 HydrophobicContact CG1-CD1 3.69Å; V111-I126 HydrophobicContact CG1-CB 4.08Å; V111-I126 HydrophobicContact CG1-CD1 4.45Å; V111-I126 HydrophobicContact CG1-CG2 3.65Å; V111-L127 HydrophobicContact CB-CD1 4.41Å; V111-L127 HydrophobicContact CB-CD2 4.11Å; V111-L127 HydrophobicContact CB-CG 4.23Å; V111-L127 HydrophobicContact CG1-CD2 4.45Å; V111-L127 HydrophobicContact CG1-CG 4.16Å; V111-L127 HydrophobicContact CG2-CD2 3.59Å; V111-L127 HydrophobicContact CG2-CG 4.19Å
112	H	86.4	Confident	80.5	Confident	39 Å²	39	46 Å²	46	18%	0.181	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-45.2	175.5	-179.1	71.3	0	0	0	112.3	L108 G110 C114 R115 L123 V170	L108-H112 PolarHBondContact O-N 3.4Å; G110-H112 VanDerWaalsContact C-N 3.31Å; G110-H112 PolarHBondContact O-N 3.24Å; H112-C114 VanDerWaalsContact C-N 3.34Å; H112-C114 PolarHBondContact O-N 3.42Å; H112-R115 WeakPolarHBondContact O-CB 3.33Å; H112-R115 PolarHBondContact O-N 2.89Å; H112-R115 VanDerWaalsContact O-N 3.16Å; H112-L123 HydrophobicContact CB-CD1 4.13Å; H112-L123 HydrophobicContact CB-CD2 4.34Å; H112-V170 HydrophobicContact CB-CG2 3.62Å; H112-V170 PolarHBondContact CD2-O 3.24Å; H112-V170 PolarHBondContact CE1-O 3.08Å; H112-V170 VanDerWaalsContact CG-O 3.23Å; H112-V170 PolarHBondContact NE2-O 3.02Å; H112-V170 VanDerWaalsContact NE2-O 3.08Å
113	K	83.9	Confident	80	Confident	115 Å²	115	46.1 Å²	46.1	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-36.7	177.7	-78.1	179.6	176.2	-176	0	113.2	E63 S109 G110 V111 R115	E63-K113 IonicContact OE1-NZ 3.15Å; S109-K113 WeakPolarHBondContact O-CG 3.41Å; S109-K113 PolarHBondContact O-N 2.86Å; G110-K113 PolarHBondContact O-N 3.28Å; V111-K113 PolarHBondContact O-N 3.2Å; K113-R115 VanDerWaalsContact C-N 3.25Å; K113-R115 PolarHBondContact O-N 3.01Å
114	C	81	Confident	79.3	Confident	12 Å²	12	46.2 Å²	46.2	8%	0.081	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-21.3	176.5	-68.6	0	0	0	0	113.8	F62 S67 L70 G110 V111 H112 S116	F62-C114 VanDerWaalsContact CA-SG 3.5Å; F62-C114 WeakPolarHBondContact CB-SG 3.34Å; F62-C114 VanDerWaalsContact CD1-SG 3.58Å; F62-C114 PolarHBondContact O-SG 3.07Å; S67-C114 PolarHBondContact OG-O 3.38Å; L70-C114 HydrophobicContact CD1-CB 4.01Å; L70-C114 HydrophobicContact CD2-CB 3.84Å; L70-C114 HydrophobicContact CG-CB 4.49Å; G110-C114 PolarHBondContact O-N 3.29Å; G110-C114 PolarHBondContact O-SG 3.03Å; G110-C114 VanDerWaalsContact O-SG 3.39Å; V111-C114 PolarHBondContact O-N 3.19Å; H112-C114 VanDerWaalsContact C-N 3.34Å; H112-C114 PolarHBondContact O-N 3.42Å; C114-S116 PolarHBondContact O-N 3.24Å; C114-S116 VanDerWaalsContact O-N 3.11Å
115	R	73.4	Confident	78.7	Confident	77 Å²	77	46.8 Å²	46.8	29%	0.291	25%	0.251	S	S	.	.			trans	-75.5	105.4	-174	-152.1	178.6	76.8	113.9	6.5	108.8	V111 H112 K113 V119 E121 I126	V111-R115 PolarHBondContact O-N 3.31Å; H112-R115 WeakPolarHBondContact O-CB 3.33Å; H112-R115 PolarHBondContact O-N 2.89Å; H112-R115 VanDerWaalsContact O-N 3.16Å; K113-R115 VanDerWaalsContact C-N 3.25Å; K113-R115 PolarHBondContact O-N 3.01Å; R115-V119 HydrophobicContact CG-CB 3.91Å; R115-V119 HydrophobicContact CG-CG1 4.22Å; R115-V119 HydrophobicContact CG-CG2 4.47Å; R115-V119 PolarHBondContact NH1-O 3.35Å; R115-E121 PolarHBondContact NH1-O 3.47Å; R115-I126 HydrophobicContact CG-CD1 4.39Å
116	S	63.1	Low	78.1	Confident	46 Å²	46	46.5 Å²	46.5	32%	0.322	25%	0.25	S	C	.	.			trans	-69.6	157.2	168.5	71.1	0	0	0	0	110.1	S67 C114 N118 V119	S67-S116 PolarHBondContact OG-OG 3.41Å; C114-S116 PolarHBondContact O-N 3.24Å; C114-S116 VanDerWaalsContact O-N 3.11Å; S116-N118 PolarHBondContact O-N 3.5Å; S116-V119 PolarHBondContact O-N 2.89Å; S116-V119 VanDerWaalsContact O-N 3.11Å
117	S	59.6	Low	77.7	Confident	117 Å²	117	46.2 Å²	46.2	82%	0.818	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-11.8	173.7	42.9	0	0	0	0	114.2
118	N	50.9	Low	77	Confident	138 Å²	138	46.2 Å²	46.2	74%	0.738	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.4	180	-65.3	-8.5	0	0	0	113.7	S116 N120	S116-N118 PolarHBondContact O-N 3.5Å; N118-N120 PolarHBondContact O-N 3.43Å
119	V	60.6	Low	76.4	Confident	26 Å²	26	46.6 Å²	46.6	16%	0.158	25%	0.252	C	S	.	.			trans	-87.3	105.4	177.5	-177.7	0	0	0	0	109.1	R115 S116 E121 I126	R115-V119 HydrophobicContact CG-CB 3.91Å; R115-V119 HydrophobicContact CG-CG1 4.22Å; R115-V119 HydrophobicContact CG-CG2 4.47Å; R115-V119 PolarHBondContact NH1-O 3.35Å; S116-V119 PolarHBondContact O-N 2.89Å; S116-V119 VanDerWaalsContact O-N 3.11Å; V119-E121 HydrophobicContact CG1-CB 4.05Å; V119-E121 PolarHBondContact O-N 3.01Å; V119-I126 HydrophobicContact CG1-CD1 4.4Å
120	N	60	Low	75.7	Confident	163 Å²	163	49.6 Å²	49.6	87%	0.872	27%	0.27	S	S	*	.			trans	-71.4	-14.6	177.2	-76.7	-10.6	0	0	0	113.5	N118 E122	N118-N120 PolarHBondContact O-N 3.43Å; N120-E122 PolarHBondContact O-N 3.3Å
121	E	65.8	Low	75.4	Confident	78 Å²	78	55.7 Å²	55.7	36%	0.364	30%	0.299	S	S	.	.	S	Bend	trans	-67.5	128.3	175	-77.4	-166.4	-171.2	0	0	110.9	K74 R115 V119 I126	K74-E121 IonicContact NZ-OE2 3.82Å; K74-E121 PolarHBondContact NZ-OE2 3.13Å; K74-E121 VanDerWaalsContact NZ-OE2 3.08Å; R115-E121 PolarHBondContact NH1-O 3.47Å; V119-E121 HydrophobicContact CG1-CB 4.05Å; V119-E121 PolarHBondContact O-N 3.01Å; E121-I126 HydrophobicContact CB-CG1 4.29Å
122	E	74.1	Confident	75.3	Confident	105 Å²	105	61.9 Å²	61.9	49%	0.491	32%	0.323	S	S	.	.			trans	-61.8	146.5	177.8	-155.7	170.1	-161.5	0	0	110.9	N120 S124 A125 I126 P178	N120-E122 PolarHBondContact O-N 3.3Å; E122-S124 PolarHBondContact O-N 3.43Å; E122-A125 HydrophobicContact CB-CB 4.43Å; E122-A125 WeakPolarHBondContact O-CB 3.34Å; E122-A125 PolarHBondContact O-N 3.45Å; E122-I126 PolarHBondContact O-N 3.38Å; E122-P178 HydrophobicContact CG-CB 4.39Å; E122-P178 HydrophobicContact CG-CG 4.43Å
123	L	82.6	Confident	75.5	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-41.4	-177.1	175.2	65.5	0	0	0	111.9	L108 V111 H112 I126 L127 V170 F179	L108-L123 HydrophobicContact CD1-CD2 3.99Å; L108-L123 HydrophobicContact CD1-CG 4.49Å; V111-L123 HydrophobicContact CB-CD1 4.22Å; V111-L123 HydrophobicContact CG1-CD1 3.69Å; H112-L123 HydrophobicContact CB-CD1 4.13Å; H112-L123 HydrophobicContact CB-CD2 4.34Å; L123-I126 PolarHBondContact O-N 3.24Å; L123-L127 HydrophobicContact CD1-CD1 4.1Å; L123-L127 HydrophobicContact CG-CD1 4.27Å; L123-L127 PolarHBondContact O-N 2.9Å; L123-V170 HydrophobicContact CD2-CB 4.27Å; L123-V170 HydrophobicContact CD2-CG1 3.53Å; L123-V170 HydrophobicContact CD2-CG2 3.67Å; L123-F179 HydrophobicContact CD2-CE2 3.95Å; L123-F179 HydrophobicContact CG-CE2 4.35Å
124	S	81.5	Confident	75.7	Confident	5 Å²	5	62.9 Å²	62.9	4%	0.035	33%	0.328	C	S	.	.	H	α-helix	trans	-53.8	-54.6	173.6	49.3	0	0	0	0	109.7	E122 I126 L127 L128	E122-S124 PolarHBondContact O-N 3.43Å; S124-I126 PolarHBondContact O-N 3.22Å; S124-L127 PolarHBondContact O-N 2.96Å; S124-L128 CarbonylContact C-O 3.55Å; S124-L128 VanDerWaalsContact C-O 3.26Å; S124-L128 CarbonylContact O-C 3.46Å; S124-L128 WeakPolarHBondContact O-CA 3.46Å; S124-L128 PolarHBondContact O-N 2.82Å
125	A	82.3	Confident	76.3	Confident	15 Å²	15	67.5 Å²	67.5	12%	0.124	35%	0.352	C	S	.	.	H	α-helix	trans	-54.5	-29.9	-177.7	0	0	0	0	0	114.6	K74 E122 L128	K74-A125 WeakPolarHBondContact CE-O 3.43Å; K74-A125 PolarHBondContact NZ-O 3.49Å; E122-A125 HydrophobicContact CB-CB 4.43Å; E122-A125 WeakPolarHBondContact O-CB 3.34Å; E122-A125 PolarHBondContact O-N 3.45Å; A125-L128 CarbonylContact C-O 3.58Å; A125-L128 WeakPolarHBondContact CA-O 3.5Å
126	I	82.2	Confident	77.3	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-78.6	-41.1	177.9	-59.5	173.5	0	0	0	111.3	L70 N78 V111 R115 V119 E121 E122 L123 S124	L70-I126 HydrophobicContact CD2-CD1 4.04Å; L70-I126 HydrophobicContact CD2-CG2 4.28Å; L70-I126 HydrophobicContact CG-CG2 4.13Å; N78-I126 PolarHBondContact ND2-O 3.02Å; V111-I126 HydrophobicContact CG1-CB 4.08Å; V111-I126 HydrophobicContact CG1-CD1 4.45Å; V111-I126 HydrophobicContact CG1-CG2 3.65Å; R115-I126 HydrophobicContact CG-CD1 4.39Å; V119-I126 HydrophobicContact CG1-CD1 4.4Å; E121-I126 HydrophobicContact CB-CG1 4.29Å; E122-I126 PolarHBondContact O-N 3.38Å; L123-I126 PolarHBondContact O-N 3.24Å; S124-I126 PolarHBondContact O-N 3.22Å
127	L	86	Confident	78.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-83.8	-32.3	-178.3	-75.3	167	0	0	0	113.2	N78 F81 L108 V111 L123 S124	N78-L127 WeakPolarHBondContact CA-O 3.44Å; N78-L127 PolarHBondContact OD1-O 3.44Å; N78-L127 VanDerWaalsContact OD1-O 3.08Å; F81-L127 HydrophobicContact CD1-CB 4.36Å; F81-L127 HydrophobicContact CD2-CD2 3.86Å; F81-L127 HydrophobicContact CE1-CB 4.45Å; F81-L127 HydrophobicContact CE2-CD1 4.3Å; F81-L127 HydrophobicContact CE2-CD2 4.11Å; F81-L127 HydrophobicContact CG-CD2 4.2Å; F81-L127 HydrophobicContact CZ-CD1 4.26Å; L108-L127 HydrophobicContact CB-CD1 4.46Å; L108-L127 HydrophobicContact CD1-CD1 3.43Å; L108-L127 VanDerWaalsContact CD1-CD1 3.43Å; V111-L127 HydrophobicContact CB-CD1 4.41Å; V111-L127 HydrophobicContact CB-CD2 4.11Å; V111-L127 HydrophobicContact CB-CG 4.23Å; V111-L127 HydrophobicContact CG1-CD2 4.45Å; V111-L127 HydrophobicContact CG1-CG 4.16Å; V111-L127 HydrophobicContact CG2-CD2 3.59Å; V111-L127 HydrophobicContact CG2-CG 4.19Å; L123-L127 HydrophobicContact CD1-CD1 4.1Å; L123-L127 HydrophobicContact CG-CD1 4.27Å; L123-L127 PolarHBondContact O-N 2.9Å; S124-L127 PolarHBondContact O-N 2.96Å
128	L	80.6	Confident	80.6	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.306	C	S	.	.	S	Bend	trans	-143.4	120.9	-171.2	-68.5	164.6	0	0	0	106.8	N78 F81 I82 S124 A125 V133 F136 F179	N78-L128 WeakPolarHBondContact OD1-CA 3.4Å; N78-L128 PolarHBondContact OD1-N 3.17Å; F81-L128 HydrophobicContact CD1-CD1 4.23Å; F81-L128 HydrophobicContact CD1-CD2 4Å; F81-L128 HydrophobicContact CD1-CG 3.98Å; F81-L128 HydrophobicContact CE1-CD1 3.94Å; F81-L128 HydrophobicContact CE1-CG 4.18Å; I82-L128 HydrophobicContact CG1-CD2 4.01Å; S124-L128 CarbonylContact C-O 3.55Å; S124-L128 VanDerWaalsContact C-O 3.26Å; S124-L128 CarbonylContact O-C 3.46Å; S124-L128 WeakPolarHBondContact O-CA 3.46Å; S124-L128 PolarHBondContact O-N 2.82Å; A125-L128 CarbonylContact C-O 3.58Å; A125-L128 WeakPolarHBondContact CA-O 3.5Å; L128-V133 HydrophobicContact CB-CG2 3.92Å; L128-F136 HydrophobicContact CD1-CB 3.99Å; L128-F136 HydrophobicContact CD1-CD1 3.56Å; L128-F136 HydrophobicContact CD1-CD2 4.28Å; L128-F136 HydrophobicContact CD1-CE1 4.12Å; L128-F136 HydrophobicContact CD1-CG 3.66Å; L128-F136 HydrophobicContact CD2-CB 3.93Å; L128-F136 HydrophobicContact CD2-CD1 4.37Å; L128-F136 HydrophobicContact CD2-CD2 3.56Å; L128-F136 HydrophobicContact CD2-CE2 4.15Å; L128-F136 HydrophobicContact CD2-CG 3.68Å; L128-F136 HydrophobicContact CG-CG 4.33Å; L128-F179 HydrophobicContact CD1-CE1 4.37Å
129	G	79.7	Confident	82.7	Confident	8 Å²	8	57 Å²	57	8%	0.082	29%	0.285	C	S	.	.			trans	-48.2	139.4	167.5	0	0	0	0	0	110	N78 E131 Y132	N78-G129 PolarHBondContact OD1-N 2.96Å; G129-E131 PolarHBondContact O-N 3.14Å; G129-E131 VanDerWaalsContact O-N 3.07Å; G129-Y132 PolarHBondContact O-N 3.11Å
130	P	76.5	Confident	84.5	Confident	89 Å²	89	55.7 Å²	55.7	58%	0.578	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-55.8	-32.9	-169.8	21.4	-32.1	0	0	0	112.7	Y132	P130-Y132 VanDerWaalsContact C-N 3.28Å; P130-Y132 PolarHBondContact O-N 2.87Å
131	E	83.2	Confident	86.3	Confident	129 Å²	129	48 Å²	48	60%	0.603	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-63.1	-24.8	174.2	57.3	-92.2	-173.3	0	0	115.1	G129	G129-E131 PolarHBondContact O-N 3.14Å; G129-E131 VanDerWaalsContact O-N 3.07Å
132	Y	88.2	Confident	87.7	Confident	130 Å²	130	46.3 Å²	46.3	51%	0.51	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-98.5	-7	-174.2	-58.7	-70.9	0	0	0	113.9	G129 P130 K134 D135 F136	G129-Y132 PolarHBondContact O-N 3.11Å; P130-Y132 VanDerWaalsContact C-N 3.28Å; P130-Y132 PolarHBondContact O-N 2.87Å; Y132-K134 PolarHBondContact O-N 3.11Å; Y132-D135 PolarHBondContact O-N 3.33Å; Y132-F136 VanDerWaalsContact O-CB 3.26Å; Y132-F136 WeakPolarHBondContact O-CB 3.37Å; Y132-F136 PolarHBondContact O-N 3.46Å
133	V	89.4	Confident	88.8	Confident	14 Å²	14	41.6 Å²	41.6	9%	0.085	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-44.7	-172.5	179.3	0	0	0	0	111.5	L128 M137 I182	L128-V133 HydrophobicContact CB-CG2 3.92Å; V133-M137 HydrophobicContact CG1-CG 4.44Å; V133-M137 WeakPolarHBondContact O-CB 3.24Å; V133-M137 VanDerWaalsContact O-CG 3.27Å; V133-M137 WeakPolarHBondContact O-CG 3.49Å; V133-M137 PolarHBondContact O-N 3.28Å; V133-I182 HydrophobicContact CG1-CD1 3.95Å
134	K	89.4	Confident	89.5	Confident	162 Å²	162	41.5 Å²	41.5	70%	0.704	21%	0.211	S	C	*	.	H	α-helix	trans	-63.5	-51.6	179.3	-82	-170.6	174.6	-174.4	0	111.9	Y132 F136 M137 E138	Y132-K134 PolarHBondContact O-N 3.11Å; K134-F136 VanDerWaalsContact C-N 3.29Å; K134-F136 PolarHBondContact O-N 2.9Å; K134-M137 PolarHBondContact O-N 3.03Å; K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 PolarHBondContact O-N 3.2Å
135	D	93	Very high	90.2	Very high	109 Å²	109	43.9 Å²	43.9	58%	0.583	23%	0.225	S	C	*	.	H	α-helix	trans	-62.8	-38	-179	-65.6	-17.7	0	0	0	111.8	Y132 N139	Y132-D135 PolarHBondContact O-N 3.33Å; D135-N139 PolarHBondContact O-N 3.06Å; D135-N139 PolarHBondContact O-ND2 2.65Å
136	F	95.3	Very high	90.8	Very high	12 Å²	12	46.5 Å²	46.5	5%	0.053	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-49.2	174	179.6	-85.1	0	0	0	111.2	F81 I82 L85 L104 L128 Y132 K134 E138 N139 Y140 F167	F81-F136 HydrophobicContact CD1-CE1 4.23Å; F81-F136 AromaticContact CD1-CE2 3.74Å; F81-F136 HydrophobicContact CD1-CE2 3.74Å; F81-F136 AromaticContact CD1-CZ 3.58Å; F81-F136 HydrophobicContact CD1-CZ 3.58Å; F81-F136 HydrophobicContact CE1-CD1 4.4Å; F81-F136 AromaticContact CE1-CE1 3.57Å; F81-F136 HydrophobicContact CE1-CE1 3.57Å; F81-F136 AromaticContact CE1-CE2 3.95Å; F81-F136 HydrophobicContact CE1-CE2 3.95Å; F81-F136 AromaticContact CE1-CZ 3.29Å; F81-F136 HydrophobicContact CE1-CZ 3.29Å; F81-F136 HydrophobicContact CZ-CE1 4.39Å; F81-F136 HydrophobicContact CZ-CZ 4.16Å; I82-F136 HydrophobicContact CG1-CD2 4.41Å; L85-F136 HydrophobicContact CB-CD2 4.42Å; L85-F136 HydrophobicContact CB-CE2 3.56Å; L85-F136 HydrophobicContact CB-CZ 3.85Å; L85-F136 HydrophobicContact CD2-CD1 4.15Å; L85-F136 HydrophobicContact CD2-CD2 3.51Å; L85-F136 HydrophobicContact CD2-CE1 4Å; L85-F136 HydrophobicContact CD2-CE2 3.36Å; L85-F136 HydrophobicContact CD2-CG 3.91Å; L85-F136 HydrophobicContact CD2-CZ 3.61Å; L85-F136 WeakPolarHBondContact CD2-O 3.38Å; L85-F136 HydrophobicContact CG-CE2 4.08Å; L85-F136 HydrophobicContact CG-CZ 4.26Å; L104-F136 HydrophobicContact CD1-CZ 3.99Å; L128-F136 HydrophobicContact CD1-CB 3.99Å; L128-F136 HydrophobicContact CD1-CD1 3.56Å; L128-F136 HydrophobicContact CD1-CD2 4.28Å; L128-F136 HydrophobicContact CD1-CE1 4.12Å; L128-F136 HydrophobicContact CD1-CG 3.66Å; L128-F136 HydrophobicContact CD2-CB 3.93Å; L128-F136 HydrophobicContact CD2-CD1 4.37Å; L128-F136 HydrophobicContact CD2-CD2 3.56Å; L128-F136 HydrophobicContact CD2-CE2 4.15Å; L128-F136 HydrophobicContact CD2-CG 3.68Å; L128-F136 HydrophobicContact CG-CG 4.33Å; Y132-F136 VanDerWaalsContact O-CB 3.26Å; Y132-F136 WeakPolarHBondContact O-CB 3.37Å; Y132-F136 PolarHBondContact O-N 3.46Å; K134-F136 VanDerWaalsContact C-N 3.29Å; K134-F136 PolarHBondContact O-N 2.9Å; F136-E138 VanDerWaalsContact C-N 3.33Å; F136-E138 PolarHBondContact O-N 3.21Å; F136-N139 PolarHBondContact O-N 2.92Å; F136-Y140 WeakPolarHBondContact O-CB 3.14Å; F136-Y140 PolarHBondContact O-N 3.46Å; F136-F167 HydrophobicContact CE1-CE1 4.33Å; F136-F167 HydrophobicContact CE1-CZ 4.25Å
137	M	95.1	Very high	91.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-33.1	-177.6	-72.3	-59.3	-63.5	0	0	112.7	V133 K134 N139 Y140 I141 F167 F179 I182 L183	V133-M137 HydrophobicContact CG1-CG 4.44Å; V133-M137 WeakPolarHBondContact O-CB 3.24Å; V133-M137 VanDerWaalsContact O-CG 3.27Å; V133-M137 WeakPolarHBondContact O-CG 3.49Å; V133-M137 PolarHBondContact O-N 3.28Å; K134-M137 PolarHBondContact O-N 3.03Å; M137-N139 PolarHBondContact O-N 3.33Å; M137-Y140 HydrophobicContact CE-CD1 3.96Å; M137-Y140 WeakPolarHBondContact O-CB 3.42Å; M137-Y140 PolarHBondContact O-N 2.95Å; M137-Y140 HydrophobicContact SD-CD1 4.43Å; M137-I141 WeakPolarHBondContact O-CG1 3.39Å; M137-I141 PolarHBondContact O-N 3.33Å; M137-F167 HydrophobicContact CE-CD1 4.28Å; M137-F167 HydrophobicContact SD-CD1 4.15Å; M137-F167 HydrophobicContact SD-CE1 3.93Å; M137-F179 HydrophobicContact CE-CB 4.15Å; M137-F179 HydrophobicContact CE-CD1 4.26Å; M137-F179 HydrophobicContact CG-CD1 4.16Å; M137-F179 HydrophobicContact SD-CD1 3.61Å; M137-F179 HydrophobicContact SD-CE1 4.23Å; M137-F179 HydrophobicContact SD-CG 4.43Å; M137-I182 HydrophobicContact CB-CB 4.27Å; M137-I182 HydrophobicContact CB-CD1 4.16Å; M137-I182 HydrophobicContact CB-CG2 3.51Å; M137-I182 HydrophobicContact CG-CB 4.47Å; M137-I182 HydrophobicContact CG-CD1 3.86Å; M137-I182 HydrophobicContact CG-CG2 4.22Å; M137-L183 HydrophobicContact CE-CD2 3.78Å; M137-L183 HydrophobicContact CE-CG 3.95Å
138	E	95.6	Very high	91.8	Very high	86 Å²	86	47.2 Å²	47.2	40%	0.402	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-43	174.3	-174.9	59.2	-156.8	0	0	111.9	K134 F136 S142 R187	K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 PolarHBondContact O-N 3.2Å; F136-E138 VanDerWaalsContact C-N 3.33Å; F136-E138 PolarHBondContact O-N 3.21Å; E138-S142 PolarHBondContact O-N 2.84Å; E138-S142 VanDerWaalsContact O-N 3.11Å; E138-S142 PolarHBondContact O-OG 3.3Å; E138-R187 VanDerWaalsContact CD-NH2 3.26Å; E138-R187 IonicContact OE1-CZ 3.87Å; E138-R187 VanDerWaalsContact OE1-CZ 3.28Å; E138-R187 IonicContact OE1-NH1 3.83Å; E138-R187 PolarHBondContact OE1-NH1 3.05Å; E138-R187 IonicContact OE1-NH2 3.69Å; E138-R187 PolarHBondContact OE1-NH2 3.27Å; E138-R187 VanDerWaalsContact OE1-NH2 3.08Å; E138-R187 IonicContact OE2-CZ 2.9Å; E138-R187 IonicContact OE2-NH1 3.4Å; E138-R187 IonicContact OE2-NH2 3.62Å; E138-R187 PolarHBondContact OE2-NH2 2.91Å
139	N	96.2	Very high	92.2	Very high	58 Å²	58	53.7 Å²	53.7	31%	0.31	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-37.2	173.1	-73.2	-57.5	0	0	0	111.9	L85 D135 F136 M137 S142 L143	L85-N139 HydrophobicContact CD2-CB 3.86Å; D135-N139 PolarHBondContact O-N 3.06Å; D135-N139 PolarHBondContact O-ND2 2.65Å; F136-N139 PolarHBondContact O-N 2.92Å; M137-N139 PolarHBondContact O-N 3.33Å; N139-S142 PolarHBondContact O-N 2.79Å; N139-L143 PolarHBondContact O-N 3.3Å
140	Y	97.5	Very high	92.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-42.8	176	177.9	-96.5	0	0	0	112.6	L85 L104 F136 M137 S142 L143 C144 M160 S163 M164 F167 L183	L85-Y140 HydrophobicContact CD1-CD2 4.17Å; L104-Y140 HydrophobicContact CD2-CD2 4.33Å; L104-Y140 HydrophobicContact CD2-CE2 4.21Å; F136-Y140 WeakPolarHBondContact O-CB 3.14Å; F136-Y140 PolarHBondContact O-N 3.46Å; M137-Y140 HydrophobicContact CE-CD1 3.96Å; M137-Y140 WeakPolarHBondContact O-CB 3.42Å; M137-Y140 PolarHBondContact O-N 2.95Å; M137-Y140 HydrophobicContact SD-CD1 4.43Å; Y140-S142 VanDerWaalsContact C-N 3.32Å; Y140-S142 PolarHBondContact O-N 2.88Å; Y140-L143 WeakPolarHBondContact O-CB 3.13Å; Y140-L143 PolarHBondContact O-N 3.02Å; Y140-C144 WeakPolarHBondContact CE1-SG 3.35Å; Y140-C144 PolarHBondContact O-N 3.46Å; Y140-C144 PolarHBondContact O-SG 3.11Å; Y140-M160 HydrophobicContact CE2-CE 3.74Å; Y140-M160 WeakPolarHBondContact OH-CE 3.5Å; Y140-S163 VanDerWaalsContact OH-C 3.23Å; Y140-S163 PolarHBondContact OH-OG 3.48Å; Y140-S163 VanDerWaalsContact OH-OG 3.13Å; Y140-M164 WeakPolarHBondContact OH-CA 3.47Å; Y140-M164 PolarHBondContact OH-N 2.92Å; Y140-M164 VanDerWaalsContact OH-N 3.14Å; Y140-F167 HydrophobicContact CD2-CE2 4.27Å; Y140-F167 HydrophobicContact CD2-CZ 4.24Å; Y140-F167 HydrophobicContact CE1-CD2 4.29Å; Y140-F167 HydrophobicContact CE1-CG 4.32Å; Y140-F167 AromaticContact CE2-CD2 4Å; Y140-F167 HydrophobicContact CE2-CD2 4Å; Y140-F167 AromaticContact CE2-CE2 3.59Å; Y140-F167 HydrophobicContact CE2-CE2 3.59Å; Y140-F167 HydrophobicContact CE2-CZ 4.02Å; Y140-F167 AromaticContact CZ-CD2 3.65Å; Y140-F167 AromaticContact CZ-CE2 3.77Å; Y140-F167 WeakPolarHBondContact OH-CD2 3.43Å; Y140-L183 HydrophobicContact CD1-CD2 4.35Å; Y140-L183 HydrophobicContact CE1-CD2 4.05Å
141	I	97.4	Very high	92.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-43.5	175.5	-68.8	163.4	0	0	0	110.1	M137 L143 C144 V145 I182 D185 R187 I188	M137-I141 WeakPolarHBondContact O-CG1 3.39Å; M137-I141 PolarHBondContact O-N 3.33Å; I141-L143 VanDerWaalsContact C-N 3.28Å; I141-L143 PolarHBondContact O-N 3.42Å; I141-C144 WeakPolarHBondContact O-CB 3.28Å; I141-C144 PolarHBondContact O-N 3.5Å; I141-C144 VanDerWaalsContact O-N 3.1Å; I141-V145 WeakPolarHBondContact O-CG2 3.47Å; I141-V145 PolarHBondContact O-N 3.24Å; I141-I182 HydrophobicContact CD1-CG2 4.19Å; I141-I182 WeakPolarHBondContact CD1-O 3.39Å; I141-D185 HydrophobicContact CD1-CB 3.99Å; I141-R187 HydrophobicContact CG2-CB 4.23Å; I141-R187 VanDerWaalsContact CG2-CZ 3.41Å; I141-I188 HydrophobicContact CB-CD1 4.46Å; I141-I188 HydrophobicContact CG1-CD1 4.31Å; I141-I188 HydrophobicContact CG1-CG1 4.19Å; I141-I188 HydrophobicContact CG2-CD1 3.91Å; I141-I188 HydrophobicContact CG2-CG1 3.92Å
142	S	96.9	Very high	93.2	Very high	44 Å²	44	56 Å²	56	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-40.4	175.4	-60.2	0	0	0	0	112.1	E138 N139 Y140 E146	E138-S142 PolarHBondContact O-N 2.84Å; E138-S142 VanDerWaalsContact O-N 3.11Å; E138-S142 PolarHBondContact O-OG 3.3Å; N139-S142 PolarHBondContact O-N 2.79Å; Y140-S142 VanDerWaalsContact C-N 3.32Å; Y140-S142 PolarHBondContact O-N 2.88Å; S142-E146 WeakPolarHBondContact O-CB 3.33Å; S142-E146 PolarHBondContact O-N 2.92Å; S142-E146 VanDerWaalsContact O-N 3.09Å
143	L	96.8	Very high	93.3	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-43.1	173.8	179.5	67.1	0	0	0	112.1	L85 A88 Q89 N139 Y140 I141 V145 E146 L147 M160	L85-L143 HydrophobicContact CD1-CB 4.39Å; L85-L143 HydrophobicContact CD1-CD2 3.7Å; A88-L143 HydrophobicContact CB-CD1 4.35Å; A88-L143 HydrophobicContact CB-CD2 3.62Å; A88-L143 WeakPolarHBondContact O-CD1 3.36Å; Q89-L143 HydrophobicContact CB-CD1 4.4Å; N139-L143 PolarHBondContact O-N 3.3Å; Y140-L143 WeakPolarHBondContact O-CB 3.13Å; Y140-L143 PolarHBondContact O-N 3.02Å; I141-L143 VanDerWaalsContact C-N 3.28Å; I141-L143 PolarHBondContact O-N 3.42Å; L143-V145 VanDerWaalsContact C-N 3.35Å; L143-V145 PolarHBondContact O-N 3.25Å; L143-E146 PolarHBondContact O-N 2.73Å; L143-L147 HydrophobicContact CD1-CD1 3.58Å; L143-L147 HydrophobicContact CD1-CG 3.77Å; L143-L147 HydrophobicContact CD2-CD1 4.44Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.31Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 PolarHBondContact O-N 2.86Å; L143-M160 HydrophobicContact CD2-SD 4.37Å; L143-M160 HydrophobicContact CG-SD 4.13Å
144	C	97.2	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-48.5	178.2	-65.9	0	0	0	0	111.2	Y140 I141 E146 L147 V148 M160 M164 I188 L191	Y140-C144 WeakPolarHBondContact CE1-SG 3.35Å; Y140-C144 PolarHBondContact O-N 3.46Å; Y140-C144 PolarHBondContact O-SG 3.11Å; I141-C144 WeakPolarHBondContact O-CB 3.28Å; I141-C144 PolarHBondContact O-N 3.5Å; I141-C144 VanDerWaalsContact O-N 3.1Å; C144-E146 VanDerWaalsContact C-N 3.34Å; C144-E146 PolarHBondContact O-N 2.74Å; C144-L147 PolarHBondContact O-N 3.01Å; C144-V148 WeakPolarHBondContact O-CB 3.46Å; C144-V148 VanDerWaalsContact O-CG2 3.31Å; C144-V148 WeakPolarHBondContact O-CG2 3.44Å; C144-V148 PolarHBondContact O-N 3.35Å; C144-V148 VanDerWaalsContact O-N 3.13Å; C144-M160 HydrophobicContact CB-CG 4.32Å; C144-M160 HydrophobicContact CB-SD 4.5Å; C144-M164 HydrophobicContact CB-CG 4.45Å; C144-M164 HydrophobicContact CB-SD 3.92Å; C144-I188 HydrophobicContact CB-CD1 3.99Å; C144-L191 HydrophobicContact CB-CD1 4.27Å; C144-L191 WeakPolarHBondContact O-CD1 3.4Å
145	V	96.3	Very high	93.4	Very high	55 Å²	55	46.6 Å²	46.6	33%	0.333	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-43.2	177.7	177.5	0	0	0	0	111.6	I141 L143 R149 R187 L191	I141-V145 WeakPolarHBondContact O-CG2 3.47Å; I141-V145 PolarHBondContact O-N 3.24Å; L143-V145 VanDerWaalsContact C-N 3.35Å; L143-V145 PolarHBondContact O-N 3.25Å; V145-R149 VanDerWaalsContact O-CG 3.23Å; V145-R149 WeakPolarHBondContact O-CG 3.26Å; V145-R187 HydrophobicContact CG2-CB 3.91Å; V145-L191 HydrophobicContact CG2-CD1 4.41Å
146	E	94.6	Very high	93.4	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-71.5	-39.3	-178.3	179.5	59	-166	0	0	113.2	S142 L143 C144 R149 K152	S142-E146 WeakPolarHBondContact O-CB 3.33Å; S142-E146 PolarHBondContact O-N 2.92Å; S142-E146 VanDerWaalsContact O-N 3.09Å; L143-E146 PolarHBondContact O-N 2.73Å; C144-E146 VanDerWaalsContact C-N 3.34Å; C144-E146 PolarHBondContact O-N 2.74Å; E146-R149 WeakPolarHBondContact O-CG 3.48Å; E146-R149 VanDerWaalsContact OE2-CD 3.32Å; E146-R149 WeakPolarHBondContact OE2-CD 3.26Å; E146-R149 IonicContact OE2-CZ 2.72Å; E146-R149 IonicContact OE2-NE 2.64Å; E146-R149 IonicContact OE2-NH1 3.77Å; E146-R149 PolarHBondContact OE2-NH1 3.19Å; E146-K152 VanDerWaalsContact O-CE 3.24Å; E146-K152 WeakPolarHBondContact O-CE 3.36Å; E146-K152 WeakPolarHBondContact O-CG 3.49Å; E146-K152 WeakPolarHBondContact OE1-CE 3.48Å; E146-K152 IonicContact OE1-NZ 3.09Å; E146-K152 PolarHBondContact OE1-NZ 3.16Å
147	L	94.8	Very high	93.3	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-81	-22.4	-176	-72.8	-174.9	0	0	0	114.2	V97 I101 L143 C144 R149 R157 M160	V97-L147 HydrophobicContact CG1-CD1 4.08Å; V97-L147 HydrophobicContact CG1-CD2 4.44Å; I101-L147 HydrophobicContact CD1-CD1 3.53Å; L143-L147 HydrophobicContact CD1-CD1 3.58Å; L143-L147 HydrophobicContact CD1-CG 3.77Å; L143-L147 HydrophobicContact CD2-CD1 4.44Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.31Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 PolarHBondContact O-N 2.86Å; C144-L147 PolarHBondContact O-N 3.01Å; L147-R149 VanDerWaalsContact C-N 3.32Å; L147-R157 WeakPolarHBondContact O-CG 3.47Å; L147-M160 HydrophobicContact CB-CB 4.22Å; L147-M160 HydrophobicContact CB-CG 4.06Å; L147-M160 HydrophobicContact CB-SD 4.23Å; L147-M160 HydrophobicContact CD1-SD 3.87Å
148	V	93.6	Very high	93.2	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	22%	0.215	C	C	.	.	S	Bend	trans	-81.5	-10.3	178.6	173.5	0	0	0	0	113	C144 R157 M160 F161 M164 L191	C144-V148 WeakPolarHBondContact O-CB 3.46Å; C144-V148 VanDerWaalsContact O-CG2 3.31Å; C144-V148 WeakPolarHBondContact O-CG2 3.44Å; C144-V148 PolarHBondContact O-N 3.35Å; C144-V148 VanDerWaalsContact O-N 3.13Å; V148-R157 VanDerWaalsContact O-CD 3.26Å; V148-R157 WeakPolarHBondContact O-CD 3.23Å; V148-M160 HydrophobicContact CG2-CB 4.13Å; V148-M160 HydrophobicContact CG2-CG 4.02Å; V148-F161 HydrophobicContact CG1-CE2 3.75Å; V148-F161 HydrophobicContact CG1-CZ 3.86Å; V148-F161 HydrophobicContact CG2-CD2 4.39Å; V148-F161 HydrophobicContact CG2-CE2 4.03Å; V148-F161 HydrophobicContact CG2-CZ 4.35Å; V148-M164 HydrophobicContact CG2-CE 4.22Å; V148-L191 HydrophobicContact CB-CD1 3.81Å; V148-L191 HydrophobicContact CB-CD2 4.46Å; V148-L191 HydrophobicContact CB-CG 4.1Å; V148-L191 HydrophobicContact CG1-CD1 4.14Å; V148-L191 HydrophobicContact CG1-CD2 3.99Å; V148-L191 HydrophobicContact CG1-CG 3.84Å; V148-L191 HydrophobicContact CG2-CD1 3.9Å; V148-L191 HydrophobicContact CG2-CD2 4.37Å; V148-L191 HydrophobicContact CG2-CG 4.41Å
149	R	90.2	Very high	93.2	Very high	137 Å²	137	39.4 Å²	39.4	52%	0.517	20%	0.196	S	C	.	.	S	Bend	trans	-57.7	152.5	179.7	-57.3	178	101.2	160.2	3.5	112.9	V145 E146 L147 D151 K152 R157	V145-R149 VanDerWaalsContact O-CG 3.23Å; V145-R149 WeakPolarHBondContact O-CG 3.26Å; E146-R149 WeakPolarHBondContact O-CG 3.48Å; E146-R149 VanDerWaalsContact OE2-CD 3.32Å; E146-R149 WeakPolarHBondContact OE2-CD 3.26Å; E146-R149 IonicContact OE2-CZ 2.72Å; E146-R149 IonicContact OE2-NE 2.64Å; E146-R149 IonicContact OE2-NH1 3.77Å; E146-R149 PolarHBondContact OE2-NH1 3.19Å; L147-R149 VanDerWaalsContact C-N 3.32Å; R149-D151 VanDerWaalsContact C-N 3.25Å; R149-D151 WeakPolarHBondContact CB-OD1 3.46Å; R149-D151 PolarHBondContact O-N 2.94Å; R149-K152 HydrophobicContact CB-CG 4.39Å; R149-K152 PolarHBondContact O-N 3.27Å; R149-R157 PolarHBondContact O-NH1 2.75Å
150	E	83.9	Confident	93.1	Very high	111 Å²	111	36.6 Å²	36.6	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.8	-175.4	-72.5	175.4	-141.2	0	0	113.8	K152 R157 N198 L201	E150-K152 VanDerWaalsContact C-N 3.26Å; E150-K152 PolarHBondContact O-N 3.15Å; E150-R157 PolarHBondContact O-NH1 3.46Å; E150-N198 PolarHBondContact OE1-ND2 3.33Å; E150-N198 PolarHBondContact OE2-ND2 2.81Å; E150-L201 HydrophobicContact CG-CD1 3.8Å; E150-L201 HydrophobicContact CG-CD2 4.08Å; E150-L201 HydrophobicContact CG-CG 3.97Å
151	D	87	Confident	93	Very high	112 Å²	112	36.7 Å²	36.7	60%	0.599	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-13.5	179.6	67.2	-47.7	0	0	0	113.5	R149	R149-D151 VanDerWaalsContact C-N 3.25Å; R149-D151 WeakPolarHBondContact CB-OD1 3.46Å; R149-D151 PolarHBondContact O-N 2.94Å
152	K	89.8	Confident	92.8	Very high	50 Å²	50	37.7 Å²	37.7	22%	0.217	19%	0.187	C	C	.	.	S	Bend	trans	-84.4	151.9	177.8	-54.8	-59.4	-177.4	-172.9	0	111.8	E146 R149 E150 R157	E146-K152 VanDerWaalsContact O-CE 3.24Å; E146-K152 WeakPolarHBondContact O-CE 3.36Å; E146-K152 WeakPolarHBondContact O-CG 3.49Å; E146-K152 WeakPolarHBondContact OE1-CE 3.48Å; E146-K152 IonicContact OE1-NZ 3.09Å; E146-K152 PolarHBondContact OE1-NZ 3.16Å; R149-K152 HydrophobicContact CB-CG 4.39Å; R149-K152 PolarHBondContact O-N 3.27Å; E150-K152 VanDerWaalsContact C-N 3.26Å; E150-K152 PolarHBondContact O-N 3.15Å; K152-R157 VanDerWaalsContact O-CZ 3.3Å; K152-R157 PolarHBondContact O-NH1 3.45Å
153	P	90.4	Very high	92.8	Very high	18 Å²	18	35.6 Å²	35.6	12%	0.117	17%	0.172	C	C	.	.			trans	-56.2	139.3	173.3	-23.7	30.5	0	0	0	113.4	L155 L156 R157 L765	P153-L155 VanDerWaalsContact C-N 3.28Å; P153-L155 PolarHBondContact O-N 2.88Å; P153-L156 HydrophobicContact CG-CD1 4.2Å; P153-L156 PolarHBondContact O-N 3.26Å; P153-R157 PolarHBondContact O-N 3.08Å; P153-L765 HydrophobicContact CB-CD2 3.6Å; P153-L765 HydrophobicContact CG-CD2 4.01Å
154	E	89.8	Confident	92.8	Very high	70 Å²	70	35.3 Å²	35.3	33%	0.327	17%	0.171	S	C	.	.	H	α-helix	trans	-54.5	-40.9	179.4	-172.9	-166.7	147.2	0	0	112.9	L156 R157 S158 Y204	E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 3Å; E154-R157 WeakPolarHBondContact O-CB 3.33Å; E154-R157 PolarHBondContact O-N 3.2Å; E154-R157 VanDerWaalsContact O-N 3.12Å; E154-S158 PolarHBondContact O-N 2.71Å; E154-S158 PolarHBondContact O-OG 2.88Å; E154-Y204 VanDerWaalsContact CD-CD1 3.48Å; E154-Y204 HydrophobicContact CG-CD1 4.37Å; E154-Y204 HydrophobicContact CG-CG 4.34Å; E154-Y204 WeakPolarHBondContact OE1-CD1 3.46Å; E154-Y204 WeakPolarHBondContact OE1-CE1 3.25Å
155	L	90.8	Very high	92.6	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-36.7	178.2	-69.4	173.7	0	0	0	112.6	P153 L159 I758 Q761 E764 L765	P153-L155 VanDerWaalsContact C-N 3.28Å; P153-L155 PolarHBondContact O-N 2.88Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.16Å; L155-I758 HydrophobicContact CD2-CG2 4.31Å; L155-Q761 HydrophobicContact CD1-CB 4.19Å; L155-Q761 HydrophobicContact CD2-CB 4.29Å; L155-E764 HydrophobicContact CD1-CB 4.11Å; L155-L765 HydrophobicContact CB-CD2 4.14Å; L155-L765 HydrophobicContact CB-CG 4.49Å; L155-L765 HydrophobicContact CD1-CD2 4.37Å; L155-L765 HydrophobicContact CD1-CG 4.2Å
156	L	92.6	Very high	92.5	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-70.8	-37.6	175.9	-72.1	-179.5	0	0	0	111.3	R94 V97 A98 P153 E154 L159 M160 L765	R94-L156 HydrophobicContact CB-CD1 4.21Å; R94-L156 HydrophobicContact CG-CD1 4.17Å; V97-L156 HydrophobicContact CG1-CD2 4.31Å; A98-L156 HydrophobicContact CB-CD2 3.81Å; P153-L156 HydrophobicContact CG-CD1 4.2Å; P153-L156 PolarHBondContact O-N 3.26Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 3Å; L156-L159 HydrophobicContact CD2-CD1 4.33Å; L156-L159 PolarHBondContact O-N 3.32Å; L156-M160 WeakPolarHBondContact O-CB 3.31Å; L156-M160 PolarHBondContact O-N 2.62Å; L156-L765 HydrophobicContact CD2-CD1 4.12Å; L156-L765 HydrophobicContact CG-CD1 4.33Å; L156-L765 HydrophobicContact CG-CD2 4.22Å
157	R	93.6	Very high	92.5	Very high	26 Å²	26	29.9 Å²	29.9	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-47.9	172.8	-64.9	-166.3	-77.7	-111.2	-0.9	111.8	L147 V148 R149 E150 K152 P153 E154 L159 M160 F161 H205	L147-R157 WeakPolarHBondContact O-CG 3.47Å; V148-R157 VanDerWaalsContact O-CD 3.26Å; V148-R157 WeakPolarHBondContact O-CD 3.23Å; R149-R157 PolarHBondContact O-NH1 2.75Å; E150-R157 PolarHBondContact O-NH1 3.46Å; K152-R157 VanDerWaalsContact O-CZ 3.3Å; K152-R157 PolarHBondContact O-NH1 3.45Å; P153-R157 PolarHBondContact O-N 3.08Å; E154-R157 WeakPolarHBondContact O-CB 3.33Å; E154-R157 PolarHBondContact O-N 3.2Å; E154-R157 VanDerWaalsContact O-N 3.12Å; R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 2.84Å; R157-M160 PolarHBondContact O-N 3.15Å; R157-M160 VanDerWaalsContact O-N 3.12Å; R157-F161 WeakPolarHBondContact O-CD2 3.32Å; R157-F161 PolarHBondContact O-N 2.66Å; R157-H205 VanDerWaalsContact CB-NE2 3.33Å; R157-H205 WeakPolarHBondContact CB-NE2 3.4Å
158	S	92.8	Very high	92.5	Very high	25 Å²	25	29.3 Å²	29.3	18%	0.175	14%	0.139	C	C	.	.	H	α-helix	trans	-56.9	-44.4	175.7	-68	0	0	0	0	112	E154 F161 N162 H205	E154-S158 PolarHBondContact O-N 2.71Å; E154-S158 PolarHBondContact O-OG 2.88Å; S158-F161 PolarHBondContact O-N 3.18Å; S158-N162 WeakPolarHBondContact O-CB 3.27Å; S158-N162 VanDerWaalsContact O-CG 3.29Å; S158-N162 PolarHBondContact O-N 3Å; S158-N162 PolarHBondContact O-ND2 3.45Å; S158-H205 PolarHBondContact OG-CE1 2.86Å; S158-H205 VanDerWaalsContact OG-CE1 3.24Å
159	L	94.1	Very high	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-42.8	175.2	-79	166.5	0	0	0	112.1	A98 Q102 L155 L156 R157 N162 S163 I758 L762	A98-L159 HydrophobicContact CB-CD1 3.63Å; Q102-L159 HydrophobicContact CG-CD2 3.66Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.16Å; L156-L159 HydrophobicContact CD2-CD1 4.33Å; L156-L159 PolarHBondContact O-N 3.32Å; R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 2.84Å; L159-N162 PolarHBondContact O-N 3.04Å; L159-S163 WeakPolarHBondContact O-CB 3.19Å; L159-S163 PolarHBondContact O-N 3.3Å; L159-I758 HydrophobicContact CD1-CG2 3.88Å; L159-I758 HydrophobicContact CD2-CB 4.41Å; L159-I758 HydrophobicContact CD2-CD1 4.04Å; L159-I758 HydrophobicContact CD2-CG2 3.97Å; L159-I758 HydrophobicContact CG-CD1 4.1Å; L159-I758 HydrophobicContact CG-CG2 3.84Å; L159-L762 HydrophobicContact CD1-CD2 4.32Å
160	M	95.9	Very high	92.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.6	-41.9	-179.6	-163	68.7	-92.7	0	0	111.8	Y140 L143 C144 L147 V148 L156 R157 N162 S163 M164	Y140-M160 HydrophobicContact CE2-CE 3.74Å; Y140-M160 WeakPolarHBondContact OH-CE 3.5Å; L143-M160 HydrophobicContact CD2-SD 4.37Å; L143-M160 HydrophobicContact CG-SD 4.13Å; C144-M160 HydrophobicContact CB-CG 4.32Å; C144-M160 HydrophobicContact CB-SD 4.5Å; L147-M160 HydrophobicContact CB-CB 4.22Å; L147-M160 HydrophobicContact CB-CG 4.06Å; L147-M160 HydrophobicContact CB-SD 4.23Å; L147-M160 HydrophobicContact CD1-SD 3.87Å; V148-M160 HydrophobicContact CG2-CB 4.13Å; V148-M160 HydrophobicContact CG2-CG 4.02Å; L156-M160 WeakPolarHBondContact O-CB 3.31Å; L156-M160 PolarHBondContact O-N 2.62Å; R157-M160 PolarHBondContact O-N 3.15Å; R157-M160 VanDerWaalsContact O-N 3.12Å; M160-N162 VanDerWaalsContact C-N 3.34Å; M160-N162 PolarHBondContact O-N 3Å; M160-S163 VanDerWaalsContact CE-CB 3.45Å; M160-S163 PolarHBondContact O-N 3.4Å; M160-M164 WeakPolarHBondContact O-CG 3.35Å; M160-M164 PolarHBondContact O-N 2.83Å
161	F	94.7	Very high	92.6	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-42.6	172.3	-86.1	-69.4	0	0	0	112.3	V148 R157 S158 S163 M164 M165 L191 T195 H205 T208 A209	V148-F161 HydrophobicContact CG1-CE2 3.75Å; V148-F161 HydrophobicContact CG1-CZ 3.86Å; V148-F161 HydrophobicContact CG2-CD2 4.39Å; V148-F161 HydrophobicContact CG2-CE2 4.03Å; V148-F161 HydrophobicContact CG2-CZ 4.35Å; R157-F161 WeakPolarHBondContact O-CD2 3.32Å; R157-F161 PolarHBondContact O-N 2.66Å; S158-F161 PolarHBondContact O-N 3.18Å; F161-S163 VanDerWaalsContact C-N 3.3Å; F161-S163 PolarHBondContact O-N 2.98Å; F161-M164 HydrophobicContact CB-CE 4.43Å; F161-M164 HydrophobicContact CD1-CE 3.43Å; F161-M164 VanDerWaalsContact CD1-CE 3.43Å; F161-M164 HydrophobicContact CE1-CE 3.68Å; F161-M164 HydrophobicContact CG-CE 3.94Å; F161-M164 HydrophobicContact CZ-CE 4.37Å; F161-M164 PolarHBondContact O-N 3.37Å; F161-M165 WeakPolarHBondContact O-CB 3.26Å; F161-M165 VanDerWaalsContact O-CG 3.3Å; F161-M165 WeakPolarHBondContact O-CG 3.32Å; F161-M165 PolarHBondContact O-N 2.81Å; F161-L191 HydrophobicContact CE1-CD2 4Å; F161-L191 HydrophobicContact CZ-CD2 3.93Å; F161-T195 HydrophobicContact CE2-CG2 4.2Å; F161-T195 HydrophobicContact CZ-CG2 3.7Å; F161-H205 HydrophobicContact CD2-CB 3.87Å; F161-H205 AromaticContact CD2-CG 3.79Å; F161-H205 HydrophobicContact CE2-CB 3.63Å; F161-H205 AromaticContact CE2-CD2 3.97Å; F161-H205 AromaticContact CE2-CG 3.78Å; F161-H205 HydrophobicContact CZ-CB 4.24Å; F161-T208 HydrophobicContact CB-CG2 3.9Å; F161-T208 HydrophobicContact CD1-CG2 4.37Å; F161-T208 HydrophobicContact CG-CG2 4.38Å; F161-A209 HydrophobicContact CE1-CB 4.13Å
162	N	93.7	Very high	92.3	Very high	20 Å²	20	14.4 Å²	14.4	11%	0.107	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-38.9	175.1	-76.7	-16.7	0	0	0	112.2	S158 L159 M160 M165 T166 S754	S158-N162 WeakPolarHBondContact O-CB 3.27Å; S158-N162 VanDerWaalsContact O-CG 3.29Å; S158-N162 PolarHBondContact O-N 3Å; S158-N162 PolarHBondContact O-ND2 3.45Å; L159-N162 PolarHBondContact O-N 3.04Å; M160-N162 VanDerWaalsContact C-N 3.34Å; M160-N162 PolarHBondContact O-N 3Å; N162-M165 PolarHBondContact O-N 2.94Å; N162-T166 WeakPolarHBondContact O-CB 3.23Å; N162-T166 PolarHBondContact O-N 3.33Å; N162-T166 PolarHBondContact O-OG1 2.82Å; N162-S754 WeakPolarHBondContact ND2-CB 3.3Å; N162-S754 PolarHBondContact ND2-OG 3.49Å
163	S	96.1	Very high	92.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.7	-47.2	177	-173.4	0	0	0	0	111	D105 Y140 L159 M160 F161 M165 T166 F167	D105-S163 WeakPolarHBondContact OD1-CA 3.41Å; D105-S163 VanDerWaalsContact OD1-CB 3.24Å; D105-S163 WeakPolarHBondContact OD1-CB 3.39Å; D105-S163 PolarHBondContact OD1-OG 3.13Å; D105-S163 WeakPolarHBondContact OD2-CA 3.21Å; D105-S163 VanDerWaalsContact OD2-CB 3.32Å; D105-S163 WeakPolarHBondContact OD2-CB 3.47Å; Y140-S163 VanDerWaalsContact OH-C 3.23Å; Y140-S163 PolarHBondContact OH-OG 3.48Å; Y140-S163 VanDerWaalsContact OH-OG 3.13Å; L159-S163 WeakPolarHBondContact O-CB 3.19Å; L159-S163 PolarHBondContact O-N 3.3Å; M160-S163 VanDerWaalsContact CE-CB 3.45Å; M160-S163 PolarHBondContact O-N 3.4Å; F161-S163 VanDerWaalsContact C-N 3.3Å; F161-S163 PolarHBondContact O-N 2.98Å; S163-M165 VanDerWaalsContact C-N 3.3Å; S163-M165 PolarHBondContact O-N 2.82Å; S163-T166 CarbonylContact O-C 3.52Å; S163-T166 WeakPolarHBondContact O-CA 3.18Å; S163-T166 WeakPolarHBondContact O-CB 3.49Å; S163-T166 PolarHBondContact O-N 3.13Å; S163-F167 WeakPolarHBondContact O-CD2 3.31Å; S163-F167 PolarHBondContact O-N 2.78Å
164	M	96.5	Very high	91.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56	-44.7	174	-72.6	-172.3	-69.2	0	0	112.2	Y140 C144 V148 M160 F161 T166 F167 A168 I188 L191 F212	Y140-M164 WeakPolarHBondContact OH-CA 3.47Å; Y140-M164 PolarHBondContact OH-N 2.92Å; Y140-M164 VanDerWaalsContact OH-N 3.14Å; C144-M164 HydrophobicContact CB-CG 4.45Å; C144-M164 HydrophobicContact CB-SD 3.92Å; V148-M164 HydrophobicContact CG2-CE 4.22Å; M160-M164 WeakPolarHBondContact O-CG 3.35Å; M160-M164 PolarHBondContact O-N 2.83Å; F161-M164 HydrophobicContact CB-CE 4.43Å; F161-M164 HydrophobicContact CD1-CE 3.43Å; F161-M164 VanDerWaalsContact CD1-CE 3.43Å; F161-M164 HydrophobicContact CE1-CE 3.68Å; F161-M164 HydrophobicContact CG-CE 3.94Å; F161-M164 HydrophobicContact CZ-CE 4.37Å; F161-M164 PolarHBondContact O-N 3.37Å; M164-T166 VanDerWaalsContact C-N 3.32Å; M164-T166 PolarHBondContact O-N 3.45Å; M164-F167 PolarHBondContact O-N 3.27Å; M164-A168 PolarHBondContact O-N 3.09Å; M164-I188 HydrophobicContact SD-CD1 4.29Å; M164-L191 HydrophobicContact CE-CD2 4.05Å; M164-L191 HydrophobicContact SD-CD2 4.49Å; M164-F212 HydrophobicContact CB-CE1 4.11Å; M164-F212 HydrophobicContact CB-CE2 4.07Å; M164-F212 HydrophobicContact CB-CZ 3.8Å; M164-F212 HydrophobicContact CG-CZ 4.45Å; M164-F212 WeakPolarHBondContact O-CE2 3.4Å; M164-F212 HydrophobicContact SD-CE1 4.03Å; M164-F212 HydrophobicContact SD-CZ 4.45Å
165	M	93.5	Very high	91.7	Very high	7 Å²	7	13 Å²	13	3%	0.034	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-37.8	174.1	-73.9	-62.6	-75.8	0	0	112.4	F161 N162 S163 S169 T208 R211 F212 I747	F161-M165 WeakPolarHBondContact O-CB 3.26Å; F161-M165 VanDerWaalsContact O-CG 3.3Å; F161-M165 WeakPolarHBondContact O-CG 3.32Å; F161-M165 PolarHBondContact O-N 2.81Å; N162-M165 PolarHBondContact O-N 2.94Å; S163-M165 VanDerWaalsContact C-N 3.3Å; S163-M165 PolarHBondContact O-N 2.82Å; M165-S169 WeakPolarHBondContact O-CB 3.5Å; M165-S169 PolarHBondContact O-N 3.47Å; M165-S169 PolarHBondContact O-OG 3.48Å; M165-T208 HydrophobicContact CG-CG2 4.11Å; M165-R211 HydrophobicContact CE-CB 4.03Å; M165-F212 HydrophobicContact CG-CD2 4.43Å; M165-F212 WeakPolarHBondContact SD-CA 3.11Å; M165-F212 HydrophobicContact SD-CB 3.46Å; M165-F212 WeakPolarHBondContact SD-CB 3.36Å; M165-F212 HydrophobicContact SD-CD2 3.53Å; M165-F212 VanDerWaalsContact SD-CD2 3.53Å; M165-F212 HydrophobicContact SD-CG 3.89Å; M165-I747 HydrophobicContact CB-CG2 3.82Å; M165-I747 HydrophobicContact CE-CB 4.23Å; M165-I747 HydrophobicContact CE-CD1 3.27Å; M165-I747 HydrophobicContact CE-CG1 3.49Å; M165-I747 VanDerWaalsContact CE-CG1 3.49Å; M165-I747 HydrophobicContact CE-CG2 3.66Å
166	T	94.4	Very high	91.4	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-44.4	175.8	-58.9	0	0	0	0	111	D105 L108 S109 N162 S163 M164 S169 V170	D105-T166 HydrophobicContact CB-CG2 4.14Å; L108-T166 HydrophobicContact CD2-CG2 4.27Å; S109-T166 WeakPolarHBondContact OG-CG2 3.47Å; N162-T166 WeakPolarHBondContact O-CB 3.23Å; N162-T166 PolarHBondContact O-N 3.33Å; N162-T166 PolarHBondContact O-OG1 2.82Å; S163-T166 CarbonylContact O-C 3.52Å; S163-T166 WeakPolarHBondContact O-CA 3.18Å; S163-T166 WeakPolarHBondContact O-CB 3.49Å; S163-T166 PolarHBondContact O-N 3.13Å; M164-T166 VanDerWaalsContact C-N 3.32Å; M164-T166 PolarHBondContact O-N 3.45Å; T166-S169 PolarHBondContact O-N 3.45Å; T166-V170 WeakPolarHBondContact O-CB 3.42Å; T166-V170 PolarHBondContact O-N 3.02Å
167	F	95	Very high	91.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-45.7	176.4	-88	-100.9	0	0	0	112.5	F81 L104 L108 F136 M137 Y140 S163 M164 N177 F179 L183	F81-F167 HydrophobicContact CE1-CZ 4.48Å; F81-F167 HydrophobicContact CZ-CE1 4.31Å; F81-F167 AromaticContact CZ-CZ 3.86Å; F81-F167 HydrophobicContact CZ-CZ 3.86Å; L104-F167 HydrophobicContact CD2-CE2 3.97Å; L104-F167 HydrophobicContact CD2-CZ 4.08Å; L104-F167 HydrophobicContact CG-CE2 4.34Å; L104-F167 HydrophobicContact CG-CZ 4.36Å; L108-F167 HydrophobicContact CD2-CB 4.29Å; L108-F167 HydrophobicContact CD2-CD1 3.76Å; L108-F167 HydrophobicContact CD2-CD2 3.59Å; L108-F167 HydrophobicContact CD2-CE1 3.93Å; L108-F167 HydrophobicContact CD2-CE2 3.77Å; L108-F167 HydrophobicContact CD2-CG 3.6Å; L108-F167 HydrophobicContact CD2-CZ 3.94Å; F136-F167 HydrophobicContact CE1-CE1 4.33Å; F136-F167 HydrophobicContact CE1-CZ 4.25Å; M137-F167 HydrophobicContact CE-CD1 4.28Å; M137-F167 HydrophobicContact SD-CD1 4.15Å; M137-F167 HydrophobicContact SD-CE1 3.93Å; Y140-F167 HydrophobicContact CD2-CE2 4.27Å; Y140-F167 HydrophobicContact CD2-CZ 4.24Å; Y140-F167 HydrophobicContact CE1-CD2 4.29Å; Y140-F167 HydrophobicContact CE1-CG 4.32Å; Y140-F167 AromaticContact CE2-CD2 4Å; Y140-F167 HydrophobicContact CE2-CD2 4Å; Y140-F167 AromaticContact CE2-CE2 3.59Å; Y140-F167 HydrophobicContact CE2-CE2 3.59Å; Y140-F167 HydrophobicContact CE2-CZ 4.02Å; Y140-F167 AromaticContact CZ-CD2 3.65Å; Y140-F167 AromaticContact CZ-CE2 3.77Å; Y140-F167 WeakPolarHBondContact OH-CD2 3.43Å; S163-F167 WeakPolarHBondContact O-CD2 3.31Å; S163-F167 PolarHBondContact O-N 2.78Å; M164-F167 PolarHBondContact O-N 3.27Å; F167-N177 PolarHBondContact O-ND2 3.37Å; F167-F179 HydrophobicContact CD1-CB 4.24Å; F167-F179 HydrophobicContact CD1-CD1 4.22Å; F167-F179 HydrophobicContact CD1-CD2 4.15Å; F167-F179 AromaticContact CD1-CG 3.93Å; F167-F179 HydrophobicContact CD1-CG 3.93Å; F167-F179 HydrophobicContact CE1-CD1 4.39Å; F167-F179 HydrophobicContact CE1-CE1 4.48Å; F167-L183 HydrophobicContact CB-CD1 4.07Å
168	A	93.4	Very high	90.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-73.1	-32	179.9	0	0	0	0	0	113.5	M164 N177 I180 L183 F212 L215 L216	M164-A168 PolarHBondContact O-N 3.09Å; A168-N177 PolarHBondContact O-ND2 2.91Å; A168-I180 HydrophobicContact CB-CD1 4.46Å; A168-I180 HydrophobicContact CB-CG1 4.29Å; A168-L183 HydrophobicContact CB-CD1 4.25Å; A168-F212 HydrophobicContact CB-CD2 4.24Å; A168-F212 HydrophobicContact CB-CE2 3.65Å; A168-L215 HydrophobicContact CB-CD2 3.7Å; A168-L216 HydrophobicContact CB-CD2 4.35Å
169	S	91.5	Very high	90.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-93.9	6.6	-179	69.6	0	0	0	0	114.3	M165 T166 T171 I747 R748	M165-S169 WeakPolarHBondContact O-CB 3.5Å; M165-S169 PolarHBondContact O-N 3.47Å; M165-S169 PolarHBondContact O-OG 3.48Å; T166-S169 PolarHBondContact O-N 3.45Å; S169-T171 VanDerWaalsContact C-N 3.29Å; S169-T171 PolarHBondContact O-N 2.91Å; S169-I747 WeakPolarHBondContact OG-CG2 3.35Å; S169-R748 VanDerWaalsContact O-CD 3.28Å; S169-R748 WeakPolarHBondContact O-CD 3.5Å; S169-R748 WeakPolarHBondContact O-CG 3.23Å; S169-R748 PolarHBondContact O-NH1 2.81Å
170	V	90.8	Very high	90.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-60	-38.1	-171	72	0	0	0	0	112.5	L108 H112 L123 T166 F179	L108-V170 HydrophobicContact CD1-CB 4.41Å; L108-V170 HydrophobicContact CD1-CG1 4.49Å; L108-V170 HydrophobicContact CD1-CG2 3.85Å; L108-V170 HydrophobicContact CD2-CB 4.44Å; L108-V170 HydrophobicContact CD2-CG2 4.44Å; L108-V170 HydrophobicContact CG-CB 4.29Å; L108-V170 HydrophobicContact CG-CG2 3.77Å; H112-V170 HydrophobicContact CB-CG2 3.62Å; H112-V170 PolarHBondContact CD2-O 3.24Å; H112-V170 PolarHBondContact CE1-O 3.08Å; H112-V170 VanDerWaalsContact CG-O 3.23Å; H112-V170 PolarHBondContact NE2-O 3.02Å; H112-V170 VanDerWaalsContact NE2-O 3.08Å; L123-V170 HydrophobicContact CD2-CB 4.27Å; L123-V170 HydrophobicContact CD2-CG1 3.53Å; L123-V170 HydrophobicContact CD2-CG2 3.67Å; T166-V170 WeakPolarHBondContact O-CB 3.42Å; T166-V170 PolarHBondContact O-N 3.02Å; V170-F179 HydrophobicContact CG1-CD2 4.17Å; V170-F179 HydrophobicContact CG1-CE2 4.4Å
171	T	88.1	Confident	90.5	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.037	11%	0.111	C	C	.	.	S	Bend	trans	-93.9	162.6	176.2	57.4	0	0	0	0	112.6	S169 S173 N177 R748	S169-T171 VanDerWaalsContact C-N 3.29Å; S169-T171 PolarHBondContact O-N 2.91Å; T171-S173 VanDerWaalsContact C-N 3.33Å; T171-S173 PolarHBondContact OG1-O 3.48Å; T171-N177 HydrophobicContact CG2-CB 4.35Å; T171-N177 WeakPolarHBondContact OG1-CB 3.32Å; T171-R748 PolarHBondContact O-NH1 2.9Å; T171-R748 VanDerWaalsContact O-NH1 3.08Å
172	S	81.8	Confident	90.4	Very high	48 Å²	48	22.3 Å²	22.3	34%	0.336	12%	0.12	S	C	.	.	S	Bend	trans	-74.2	-24.2	172	51	0	0	0	0	113.6
173	S	85	Confident	90.4	Very high	12 Å²	12	21.3 Å²	21.3	8%	0.084	12%	0.115	C	C	.	.	S	Bend	trans	-122.6	126.4	177.8	175.3	0	0	0	0	109.2	T171 N175 K176	T171-S173 VanDerWaalsContact C-N 3.33Å; T171-S173 PolarHBondContact OG1-O 3.48Å; S173-N175 VanDerWaalsContact C-N 3.28Å; S173-N175 PolarHBondContact O-N 3.27Å; S173-K176 PolarHBondContact O-N 3.46Å; S173-K176 VanDerWaalsContact O-N 3.13Å
174	L	86.7	Confident	90.3	Very high	5 Å²	5	22 Å²	22	3%	0.026	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-59.6	-39.6	-179.5	-59.2	174.8	0	0	0	111.7	K176 N177 I180 L215 Q218 Y219 I740	L174-K176 PolarHBondContact O-N 3.48Å; L174-K176 VanDerWaalsContact O-N 3.14Å; L174-N177 WeakPolarHBondContact O-CB 3.46Å; L174-N177 PolarHBondContact O-N 2.97Å; L174-I180 HydrophobicContact CB-CD1 3.76Å; L174-I180 HydrophobicContact CD2-CD1 3.37Å; L174-I180 HydrophobicContact CG-CD1 4.08Å; L174-L215 HydrophobicContact CD1-CD1 4.14Å; L174-L215 HydrophobicContact CD1-CG 4.38Å; L174-L215 WeakPolarHBondContact CD1-O 2.93Å; L174-L215 HydrophobicContact CD2-CD1 3.72Å; L174-L215 HydrophobicContact CD2-CD2 4.18Å; L174-L215 HydrophobicContact CD2-CG 3.76Å; L174-L215 HydrophobicContact CG-CD1 4.48Å; L174-Q218 HydrophobicContact CD1-CB 3.82Å; L174-Y219 HydrophobicContact CB-CD2 4.4Å; L174-I740 HydrophobicContact CD1-CD1 3.94Å; L174-I740 HydrophobicContact CD1-CG1 4.29Å; L174-I740 HydrophobicContact CD1-CG2 3.73Å; L174-I740 HydrophobicContact CD2-CG2 4.26Å; L174-I740 HydrophobicContact CG-CG2 3.56Å
175	N	84.5	Confident	90.2	Very high	91 Å²	91	23.6 Å²	23.6	49%	0.487	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-67.2	-17	-179	-60.5	-8.5	0	0	0	113.3	S173	S173-N175 VanDerWaalsContact C-N 3.28Å; S173-N175 PolarHBondContact O-N 3.27Å
176	K	84.5	Confident	90.2	Very high	155 Å²	155	27.7 Å²	27.7	67%	0.674	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-95.9	0.2	173.7	-62.2	-176.1	-179.5	177.6	0	112.8	S173 L174 P178	S173-K176 PolarHBondContact O-N 3.46Å; S173-K176 VanDerWaalsContact O-N 3.13Å; L174-K176 PolarHBondContact O-N 3.48Å; L174-K176 VanDerWaalsContact O-N 3.14Å; K176-P178 WeakPolarHBondContact O-CD 3.41Å
177	N	89	Confident	90.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.161	C	C	.	.			trans	-85.6	113.8	179.3	-166.5	-23.7	0	0	0	109.7	F167 A168 T171 L174 F179 I180 P181	F167-N177 PolarHBondContact O-ND2 3.37Å; A168-N177 PolarHBondContact O-ND2 2.91Å; T171-N177 HydrophobicContact CG2-CB 4.35Å; T171-N177 WeakPolarHBondContact OG1-CB 3.32Å; L174-N177 WeakPolarHBondContact O-CB 3.46Å; L174-N177 PolarHBondContact O-N 2.97Å; N177-F179 PolarHBondContact O-N 3.23Å; N177-F179 WeakPolarHBondContact OD1-CB 3.45Å; N177-F179 VanDerWaalsContact OD1-CD2 3.3Å; N177-F179 WeakPolarHBondContact OD1-CD2 3.45Å; N177-F179 PolarHBondContact OD1-N 3.48Å; N177-I180 HydrophobicContact CB-CB 4.37Å; N177-I180 HydrophobicContact CB-CD1 3.96Å; N177-I180 HydrophobicContact CB-CG1 3.93Å; N177-P181 WeakPolarHBondContact O-CD 3.43Å
178	P	87.6	Confident	90.4	Very high	18 Å²	18	30.9 Å²	30.9	12%	0.117	16%	0.161	C	C	.	.	S	Bend	trans	-68.7	-16.2	-179.9	28.8	-35.5	0	0	0	113.4	E122 K176	E122-P178 HydrophobicContact CG-CB 4.39Å; E122-P178 HydrophobicContact CG-CG 4.43Å; K176-P178 WeakPolarHBondContact O-CD 3.41Å
179	F	92.1	Very high	90.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-90.2	-27.7	-175	-54.3	-64.1	0	0	0	113.3	L108 L123 L128 M137 F167 V170 N177 I182 L183	L108-F179 HydrophobicContact CD1-CD2 4.49Å; L108-F179 HydrophobicContact CD1-CE2 3.67Å; L108-F179 HydrophobicContact CD1-CZ 4.2Å; L123-F179 HydrophobicContact CD2-CE2 3.95Å; L123-F179 HydrophobicContact CG-CE2 4.35Å; L128-F179 HydrophobicContact CD1-CE1 4.37Å; M137-F179 HydrophobicContact CE-CB 4.15Å; M137-F179 HydrophobicContact CE-CD1 4.26Å; M137-F179 HydrophobicContact CG-CD1 4.16Å; M137-F179 HydrophobicContact SD-CD1 3.61Å; M137-F179 HydrophobicContact SD-CE1 4.23Å; M137-F179 HydrophobicContact SD-CG 4.43Å; F167-F179 HydrophobicContact CD1-CB 4.24Å; F167-F179 HydrophobicContact CD1-CD1 4.22Å; F167-F179 HydrophobicContact CD1-CD2 4.15Å; F167-F179 AromaticContact CD1-CG 3.93Å; F167-F179 HydrophobicContact CD1-CG 3.93Å; F167-F179 HydrophobicContact CE1-CD1 4.39Å; F167-F179 HydrophobicContact CE1-CE1 4.48Å; V170-F179 HydrophobicContact CG1-CD2 4.17Å; V170-F179 HydrophobicContact CG1-CE2 4.4Å; N177-F179 PolarHBondContact O-N 3.23Å; N177-F179 WeakPolarHBondContact OD1-CB 3.45Å; N177-F179 VanDerWaalsContact OD1-CD2 3.3Å; N177-F179 WeakPolarHBondContact OD1-CD2 3.45Å; N177-F179 PolarHBondContact OD1-N 3.48Å; F179-I182 PolarHBondContact O-N 3.18Å; F179-I182 VanDerWaalsContact O-N 3.13Å; F179-L183 WeakPolarHBondContact O-CG 3.48Å; F179-L183 PolarHBondContact O-N 3.21Å
180	I	91.9	Very high	90.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-46.3	-177.6	-73.3	-176.2	0	0	0	113.1	A168 L174 N177 I182 L183 L184 L216 Y219	A168-I180 HydrophobicContact CB-CD1 4.46Å; A168-I180 HydrophobicContact CB-CG1 4.29Å; L174-I180 HydrophobicContact CB-CD1 3.76Å; L174-I180 HydrophobicContact CD2-CD1 3.37Å; L174-I180 HydrophobicContact CG-CD1 4.08Å; N177-I180 HydrophobicContact CB-CB 4.37Å; N177-I180 HydrophobicContact CB-CD1 3.96Å; N177-I180 HydrophobicContact CB-CG1 3.93Å; I180-I182 PolarHBondContact O-N 3.1Å; I180-I182 VanDerWaalsContact O-N 3.09Å; I180-L183 PolarHBondContact O-N 2.97Å; I180-L184 HydrophobicContact CG2-CD1 4.36Å; I180-L184 HydrophobicContact CG2-CG 4.47Å; I180-L184 PolarHBondContact O-N 3.48Å; I180-L216 HydrophobicContact CG1-CD2 4.45Å; I180-L216 HydrophobicContact CG2-CD2 4.2Å; I180-Y219 HydrophobicContact CB-CD2 4.28Å; I180-Y219 HydrophobicContact CG2-CD1 4.11Å; I180-Y219 HydrophobicContact CG2-CD2 3.51Å; I180-Y219 HydrophobicContact CG2-CE2 4.17Å; I180-Y219 HydrophobicContact CG2-CG 3.49Å; I180-Y219 VanDerWaalsContact CG2-CG 3.49Å
181	P	90	Very high	90.9	Very high	57 Å²	57	36.5 Å²	36.5	37%	0.37	19%	0.19	S	C	.	.	H	α-helix	trans	-57.7	-28.7	178.7	-24.4	33.5	0	0	0	113.3	N177 Y219	N177-P181 WeakPolarHBondContact O-CD 3.43Å; P181-Y219 HydrophobicContact CG-CE1 4.36Å; P181-Y219 HydrophobicContact CG-CE2 4.27Å; P181-Y219 WeakPolarHBondContact CG-OH 3.42Å
182	I	91.7	Very high	91.2	Very high	41 Å²	41	36.2 Å²	36.2	21%	0.21	19%	0.188	C	C	.	.	H	α-helix	trans	-86.5	-30.6	179.5	-49.8	167.9	0	0	0	110.9	V133 M137 I141 F179 I180 L184	V133-I182 HydrophobicContact CG1-CD1 3.95Å; M137-I182 HydrophobicContact CB-CB 4.27Å; M137-I182 HydrophobicContact CB-CD1 4.16Å; M137-I182 HydrophobicContact CB-CG2 3.51Å; M137-I182 HydrophobicContact CG-CB 4.47Å; M137-I182 HydrophobicContact CG-CD1 3.86Å; M137-I182 HydrophobicContact CG-CG2 4.22Å; I141-I182 HydrophobicContact CD1-CG2 4.19Å; I141-I182 WeakPolarHBondContact CD1-O 3.39Å; F179-I182 PolarHBondContact O-N 3.18Å; F179-I182 VanDerWaalsContact O-N 3.13Å; I180-I182 PolarHBondContact O-N 3.1Å; I180-I182 VanDerWaalsContact O-N 3.09Å; I182-L184 VanDerWaalsContact C-N 3.27Å; I182-L184 PolarHBondContact O-N 2.93Å
183	L	94	Very high	91.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.4	-18.6	173.9	-70.4	173.6	0	0	0	113.4	M137 Y140 F167 A168 F179 I180 D185 L216	M137-L183 HydrophobicContact CE-CD2 3.78Å; M137-L183 HydrophobicContact CE-CG 3.95Å; Y140-L183 HydrophobicContact CD1-CD2 4.35Å; Y140-L183 HydrophobicContact CE1-CD2 4.05Å; F167-L183 HydrophobicContact CB-CD1 4.07Å; A168-L183 HydrophobicContact CB-CD1 4.25Å; F179-L183 WeakPolarHBondContact O-CG 3.48Å; F179-L183 PolarHBondContact O-N 3.21Å; I180-L183 PolarHBondContact O-N 2.97Å; L183-D185 PolarHBondContact O-N 3.36Å; L183-L216 HydrophobicContact CB-CD2 4.43Å
184	L	93.8	Very high	92.3	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.073	20%	0.195	C	C	.	.			trans	-73.2	66.1	168.1	-69.1	173.3	0	0	0	110.1	I180 I182 L216 Y219 N226 L227 F228	I180-L184 HydrophobicContact CG2-CD1 4.36Å; I180-L184 HydrophobicContact CG2-CG 4.47Å; I180-L184 PolarHBondContact O-N 3.48Å; I182-L184 VanDerWaalsContact C-N 3.27Å; I182-L184 PolarHBondContact O-N 2.93Å; L184-L216 HydrophobicContact CD2-CB 4.1Å; L184-Y219 HydrophobicContact CD1-CD1 3.48Å; L184-Y219 VanDerWaalsContact CD1-CD1 3.48Å; L184-Y219 HydrophobicContact CD1-CE1 4.07Å; L184-Y219 HydrophobicContact CD1-CG 4.25Å; L184-N226 HydrophobicContact CD1-CB 4.14Å; L184-L227 WeakPolarHBondContact O-CD2 3.03Å; L184-F228 HydrophobicContact CB-CE1 4.49Å; L184-F228 HydrophobicContact CD2-CB 4.3Å; L184-F228 HydrophobicContact CD2-CD1 3.87Å; L184-F228 HydrophobicContact CD2-CD2 3.98Å; L184-F228 HydrophobicContact CD2-CE1 4.14Å; L184-F228 HydrophobicContact CD2-CE2 4.28Å; L184-F228 HydrophobicContact CD2-CG 3.77Å; L184-F228 HydrophobicContact CD2-CZ 4.34Å
185	D	94.2	Very high	92.7	Very high	34 Å²	34	38.2 Å²	38.2	18%	0.182	19%	0.194	C	C	.	.			trans	-118.9	142.3	-177.2	-177.6	-75.9	0	0	0	109.9	I141 L183 R187 I188 Y189	I141-D185 HydrophobicContact CD1-CB 3.99Å; L183-D185 PolarHBondContact O-N 3.36Å; D185-R187 PolarHBondContact O-N 3.04Å; D185-R187 WeakPolarHBondContact OD1-CB 3.41Å; D185-R187 WeakPolarHBondContact OD1-CG 3.43Å; D185-R187 IonicContact OD1-CZ 3.84Å; D185-R187 PolarHBondContact OD1-N 3.26Å; D185-R187 IonicContact OD1-NE 2.7Å; D185-R187 PolarHBondContact OD1-NE 3.4Å; D185-R187 IonicContact OD1-NH2 2.98Å; D185-R187 IonicContact OD2-CZ 3.6Å; D185-R187 IonicContact OD2-NE 3.44Å; D185-R187 PolarHBondContact OD2-NE 3.44Å; D185-R187 IonicContact OD2-NH2 3.08Å; D185-R187 PolarHBondContact OD2-NH2 3.05Å; D185-I188 HydrophobicContact CB-CG1 4.26Å; D185-I188 WeakPolarHBondContact O-CB 3.3Å; D185-I188 PolarHBondContact O-N 3.44Å; D185-Y189 PolarHBondContact O-N 2.89Å
186	D	94.4	Very high	93	Very high	93 Å²	93	33.9 Å²	33.9	50%	0.497	17%	0.171	S	C	.	.	H	α-helix	trans	-55.6	-37.2	-178.9	-67.2	-36.6	0	0	0	112.3	I188 Y189 D190	D186-I188 VanDerWaalsContact C-N 3.31Å; D186-I188 PolarHBondContact O-N 3.4Å; D186-Y189 WeakPolarHBondContact O-CB 3.33Å; D186-Y189 PolarHBondContact O-N 3.2Å; D186-D190 WeakPolarHBondContact O-CB 3.38Å; D186-D190 PolarHBondContact O-N 2.95Å
187	R	96.4	Very high	93.4	Very high	71 Å²	71	28.7 Å²	28.7	27%	0.268	15%	0.15	S	C	.	.	H	α-helix	trans	-67.8	-33.6	179.3	-57.5	168.6	-69.5	-174.6	-7.5	112	E138 I141 V145 D185 L191	E138-R187 VanDerWaalsContact CD-NH2 3.26Å; E138-R187 IonicContact OE1-CZ 3.87Å; E138-R187 VanDerWaalsContact OE1-CZ 3.28Å; E138-R187 IonicContact OE1-NH1 3.83Å; E138-R187 PolarHBondContact OE1-NH1 3.05Å; E138-R187 IonicContact OE1-NH2 3.69Å; E138-R187 PolarHBondContact OE1-NH2 3.27Å; E138-R187 VanDerWaalsContact OE1-NH2 3.08Å; E138-R187 IonicContact OE2-CZ 2.9Å; E138-R187 IonicContact OE2-NH1 3.4Å; E138-R187 IonicContact OE2-NH2 3.62Å; E138-R187 PolarHBondContact OE2-NH2 2.91Å; I141-R187 HydrophobicContact CG2-CB 4.23Å; I141-R187 VanDerWaalsContact CG2-CZ 3.41Å; V145-R187 HydrophobicContact CG2-CB 3.91Å; D185-R187 PolarHBondContact O-N 3.04Å; D185-R187 WeakPolarHBondContact OD1-CB 3.41Å; D185-R187 WeakPolarHBondContact OD1-CG 3.43Å; D185-R187 IonicContact OD1-CZ 3.84Å; D185-R187 PolarHBondContact OD1-N 3.26Å; D185-R187 IonicContact OD1-NE 2.7Å; D185-R187 PolarHBondContact OD1-NE 3.4Å; D185-R187 IonicContact OD1-NH2 2.98Å; D185-R187 IonicContact OD2-CZ 3.6Å; D185-R187 IonicContact OD2-NE 3.44Å; D185-R187 PolarHBondContact OD2-NE 3.44Å; D185-R187 IonicContact OD2-NH2 3.08Å; D185-R187 PolarHBondContact OD2-NH2 3.05Å; R187-L191 VanDerWaalsContact O-CB 3.29Å; R187-L191 WeakPolarHBondContact O-CB 3.32Å; R187-L191 PolarHBondContact O-N 3.44Å
188	I	97	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72.1	-40.1	174.9	-64.8	-62.5	0	0	0	109.9	I141 C144 M164 D185 D186 L191 I192 F212 F228	I141-I188 HydrophobicContact CB-CD1 4.46Å; I141-I188 HydrophobicContact CG1-CD1 4.31Å; I141-I188 HydrophobicContact CG1-CG1 4.19Å; I141-I188 HydrophobicContact CG2-CD1 3.91Å; I141-I188 HydrophobicContact CG2-CG1 3.92Å; C144-I188 HydrophobicContact CB-CD1 3.99Å; M164-I188 HydrophobicContact SD-CD1 4.29Å; D185-I188 HydrophobicContact CB-CG1 4.26Å; D185-I188 WeakPolarHBondContact O-CB 3.3Å; D185-I188 PolarHBondContact O-N 3.44Å; D186-I188 VanDerWaalsContact C-N 3.31Å; D186-I188 PolarHBondContact O-N 3.4Å; I188-L191 WeakPolarHBondContact O-CB 3.24Å; I188-L191 PolarHBondContact O-N 3.14Å; I188-I192 HydrophobicContact CG2-CD1 4.07Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.43Å; I188-I192 PolarHBondContact O-N 2.86Å; I188-F212 HydrophobicContact CG2-CE1 3.78Å; I188-F212 HydrophobicContact CG2-CZ 4.39Å; I188-F228 HydrophobicContact CB-CZ 4.31Å; I188-F228 HydrophobicContact CG2-CE2 4.46Å; I188-F228 HydrophobicContact CG2-CZ 4.15Å
189	Y	95	Very high	93.5	Very high	18 Å²	18	32.8 Å²	32.8	7%	0.071	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-53.4	173.1	-174.5	-93	0	0	0	110.9	D185 D186 L191 I192 M193 F228 L231 I232 T235	D185-Y189 PolarHBondContact O-N 2.89Å; D186-Y189 WeakPolarHBondContact O-CB 3.33Å; D186-Y189 PolarHBondContact O-N 3.2Å; Y189-L191 VanDerWaalsContact C-N 3.28Å; Y189-L191 PolarHBondContact O-N 3.31Å; Y189-I192 WeakPolarHBondContact O-CB 3.37Å; Y189-I192 PolarHBondContact O-N 2.96Å; Y189-M193 HydrophobicContact CD1-CE 4.39Å; Y189-M193 HydrophobicContact CD1-CG 3.86Å; Y189-M193 HydrophobicContact CD2-CE 3.64Å; Y189-M193 HydrophobicContact CE1-CE 4.01Å; Y189-M193 HydrophobicContact CE1-CG 3.52Å; Y189-M193 HydrophobicContact CE1-SD 4.47Å; Y189-M193 HydrophobicContact CE2-CE 3.21Å; Y189-M193 HydrophobicContact CE2-CG 4.5Å; Y189-M193 HydrophobicContact CG-CE 4.22Å; Y189-M193 HydrophobicContact CG-CG 4.46Å; Y189-M193 VanDerWaalsContact CZ-CE 3.41Å; Y189-M193 WeakPolarHBondContact O-CG 3.41Å; Y189-M193 PolarHBondContact O-N 3.45Å; Y189-F228 HydrophobicContact CD2-CB 4.28Å; Y189-F228 AromaticContact CD2-CD1 3.82Å; Y189-F228 HydrophobicContact CD2-CD1 3.82Å; Y189-F228 AromaticContact CD2-CD2 3.99Å; Y189-F228 HydrophobicContact CD2-CD2 3.99Å; Y189-F228 HydrophobicContact CD2-CE1 4.12Å; Y189-F228 HydrophobicContact CD2-CE2 4.24Å; Y189-F228 AromaticContact CD2-CG 3.77Å; Y189-F228 HydrophobicContact CD2-CG 3.77Å; Y189-F228 HydrophobicContact CD2-CZ 4.32Å; Y189-F228 HydrophobicContact CE2-CG 4.46Å; Y189-F228 HydrophobicContact CG-CD1 4.43Å; Y189-F228 HydrophobicContact CG-CE1 4.36Å; Y189-L231 HydrophobicContact CD1-CD1 3.87Å; Y189-L231 HydrophobicContact CD2-CB 4.4Å; Y189-L231 HydrophobicContact CD2-CD1 3.79Å; Y189-L231 HydrophobicContact CE1-CB 4.19Å; Y189-L231 HydrophobicContact CE1-CD1 4.09Å; Y189-L231 HydrophobicContact CE2-CB 3.75Å; Y189-L231 HydrophobicContact CE2-CD1 3.99Å; Y189-L231 HydrophobicContact CG-CD1 3.71Å; Y189-I232 HydrophobicContact CE2-CG1 4.27Å; Y189-T235 PolarHBondContact OH-OG1 2.81Å
190	D	94.8	Very high	93.3	Very high	88 Å²	88	39.3 Å²	39.3	47%	0.471	21%	0.205	S	C	.	.	H	α-helix	trans	-58.4	-39.6	178.7	-72.6	-19.7	0	0	0	112.1	D186 M193 N194	D186-D190 WeakPolarHBondContact O-CB 3.38Å; D186-D190 PolarHBondContact O-N 2.95Å; D190-M193 PolarHBondContact O-N 3.39Å; D190-N194 VanDerWaalsContact O-CB 3.26Å; D190-N194 WeakPolarHBondContact O-CB 3.43Å; D190-N194 PolarHBondContact O-N 2.75Å; D190-N194 PolarHBondContact O-ND2 2.85Å
191	L	96.4	Very high	93.3	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-47.3	174.5	175.2	159.6	0	0	0	111.7	C144 V145 V148 F161 M164 R187 I188 Y189 T195	C144-L191 HydrophobicContact CB-CD1 4.27Å; C144-L191 WeakPolarHBondContact O-CD1 3.4Å; V145-L191 HydrophobicContact CG2-CD1 4.41Å; V148-L191 HydrophobicContact CB-CD1 3.81Å; V148-L191 HydrophobicContact CB-CD2 4.46Å; V148-L191 HydrophobicContact CB-CG 4.1Å; V148-L191 HydrophobicContact CG1-CD1 4.14Å; V148-L191 HydrophobicContact CG1-CD2 3.99Å; V148-L191 HydrophobicContact CG1-CG 3.84Å; V148-L191 HydrophobicContact CG2-CD1 3.9Å; V148-L191 HydrophobicContact CG2-CD2 4.37Å; V148-L191 HydrophobicContact CG2-CG 4.41Å; F161-L191 HydrophobicContact CE1-CD2 4Å; F161-L191 HydrophobicContact CZ-CD2 3.93Å; M164-L191 HydrophobicContact CE-CD2 4.05Å; M164-L191 HydrophobicContact SD-CD2 4.49Å; R187-L191 VanDerWaalsContact O-CB 3.29Å; R187-L191 WeakPolarHBondContact O-CB 3.32Å; R187-L191 PolarHBondContact O-N 3.44Å; I188-L191 WeakPolarHBondContact O-CB 3.24Å; I188-L191 PolarHBondContact O-N 3.14Å; Y189-L191 VanDerWaalsContact C-N 3.28Å; Y189-L191 PolarHBondContact O-N 3.31Å; L191-T195 WeakPolarHBondContact O-CB 3.4Å; L191-T195 PolarHBondContact O-N 3.13Å; L191-T195 PolarHBondContact O-OG1 3.11Å
192	I	95.4	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-46.8	179.1	-67.2	164.9	0	0	0	109.5	I188 Y189 T195 L196 A209 F212 L213 L216 F228	I188-I192 HydrophobicContact CG2-CD1 4.07Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.43Å; I188-I192 PolarHBondContact O-N 2.86Å; Y189-I192 WeakPolarHBondContact O-CB 3.37Å; Y189-I192 PolarHBondContact O-N 2.96Å; I192-T195 WeakPolarHBondContact O-CB 3.32Å; I192-T195 PolarHBondContact O-N 2.59Å; I192-L196 HydrophobicContact CG2-CD1 3.85Å; I192-L196 WeakPolarHBondContact O-CG 3.44Å; I192-L196 PolarHBondContact O-N 3.01Å; I192-A209 HydrophobicContact CG2-CB 4.4Å; I192-F212 HydrophobicContact CD1-CD1 3.59Å; I192-F212 HydrophobicContact CD1-CE1 3.92Å; I192-F212 HydrophobicContact CG1-CD1 4.03Å; I192-F212 HydrophobicContact CG1-CE1 4.48Å; I192-L213 HydrophobicContact CG2-CB 4.16Å; I192-L213 HydrophobicContact CG2-CD1 4.49Å; I192-L213 HydrophobicContact CG2-CD2 4.37Å; I192-L216 HydrophobicContact CD1-CD1 4.38Å; I192-F228 HydrophobicContact CD1-CE2 4.06Å
193	M	94.2	Very high	92.9	Very high	9 Å²	9	40 Å²	40	4%	0.044	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-44.7	-177.7	-60.2	-39.7	151.6	0	0	111.9	Y189 D190 T195 L196 I197 L213 L240	Y189-M193 HydrophobicContact CD1-CE 4.39Å; Y189-M193 HydrophobicContact CD1-CG 3.86Å; Y189-M193 HydrophobicContact CD2-CE 3.64Å; Y189-M193 HydrophobicContact CE1-CE 4.01Å; Y189-M193 HydrophobicContact CE1-CG 3.52Å; Y189-M193 HydrophobicContact CE1-SD 4.47Å; Y189-M193 HydrophobicContact CE2-CE 3.21Å; Y189-M193 HydrophobicContact CE2-CG 4.5Å; Y189-M193 HydrophobicContact CG-CE 4.22Å; Y189-M193 HydrophobicContact CG-CG 4.46Å; Y189-M193 VanDerWaalsContact CZ-CE 3.41Å; Y189-M193 WeakPolarHBondContact O-CG 3.41Å; Y189-M193 PolarHBondContact O-N 3.45Å; D190-M193 PolarHBondContact O-N 3.39Å; M193-T195 VanDerWaalsContact C-N 3.28Å; M193-T195 PolarHBondContact O-N 2.67Å; M193-L196 PolarHBondContact O-N 3.46Å; M193-L196 VanDerWaalsContact O-N 3.09Å; M193-L196 HydrophobicContact SD-CD1 4.3Å; M193-I197 WeakPolarHBondContact O-CB 3.49Å; M193-I197 VanDerWaalsContact O-CG1 3.3Å; M193-I197 WeakPolarHBondContact O-CG1 3.39Å; M193-I197 PolarHBondContact O-N 3.13Å; M193-L213 HydrophobicContact CE-CD1 3.85Å; M193-L213 HydrophobicContact CE-CD2 3.87Å; M193-L240 HydrophobicContact CB-CD1 4.07Å; M193-L240 HydrophobicContact CB-CD2 4.18Å; M193-L240 HydrophobicContact CG-CD1 4.23Å; M193-L240 HydrophobicContact CG-CD2 3.81Å; M193-L240 HydrophobicContact SD-CD1 3.49Å; M193-L240 WeakPolarHBondContact SD-CD1 3.29Å; M193-L240 HydrophobicContact SD-CD2 3.54Å; M193-L240 VanDerWaalsContact SD-CD2 3.54Å; M193-L240 HydrophobicContact SD-CG 4.06Å
194	N	94.2	Very high	92.5	Very high	98 Å²	98	44.6 Å²	44.6	52%	0.524	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-37.9	175	-73.6	-42.6	0	0	0	112.1	D190 L196 N198	D190-N194 VanDerWaalsContact O-CB 3.26Å; D190-N194 WeakPolarHBondContact O-CB 3.43Å; D190-N194 PolarHBondContact O-N 2.75Å; D190-N194 PolarHBondContact O-ND2 2.85Å; N194-L196 VanDerWaalsContact C-N 3.3Å; N194-L196 PolarHBondContact O-N 2.71Å; N194-N198 VanDerWaalsContact O-CB 3.27Å; N194-N198 WeakPolarHBondContact O-CB 3.4Å; N194-N198 PolarHBondContact O-N 3.38Å
195	T	94.9	Very high	92.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-39.2	174.8	-60.7	0	0	0	0	111.6	F161 L191 I192 M193 L201 R202 H205 A209	F161-T195 HydrophobicContact CE2-CG2 4.2Å; F161-T195 HydrophobicContact CZ-CG2 3.7Å; L191-T195 WeakPolarHBondContact O-CB 3.4Å; L191-T195 PolarHBondContact O-N 3.13Å; L191-T195 PolarHBondContact O-OG1 3.11Å; I192-T195 WeakPolarHBondContact O-CB 3.32Å; I192-T195 PolarHBondContact O-N 2.59Å; M193-T195 VanDerWaalsContact C-N 3.28Å; M193-T195 PolarHBondContact O-N 2.67Å; T195-L201 HydrophobicContact CG2-CB 4.09Å; T195-L201 CarbonylContact O-C 3.6Å; T195-L201 WeakPolarHBondContact O-CB 3.35Å; T195-R202 WeakPolarHBondContact O-CA 3.33Å; T195-R202 PolarHBondContact O-N 3.08Å; T195-H205 HydrophobicContact CG2-CB 3.91Å; T195-A209 HydrophobicContact CG2-CB 3.97Å
196	L	92.2	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-78.2	-38.9	-179.1	-68.5	165.7	0	0	0	112.2	I192 M193 N194 R202 A209 C210 L240 S243 I244	I192-L196 HydrophobicContact CG2-CD1 3.85Å; I192-L196 WeakPolarHBondContact O-CG 3.44Å; I192-L196 PolarHBondContact O-N 3.01Å; M193-L196 PolarHBondContact O-N 3.46Å; M193-L196 VanDerWaalsContact O-N 3.09Å; M193-L196 HydrophobicContact SD-CD1 4.3Å; N194-L196 VanDerWaalsContact C-N 3.3Å; N194-L196 PolarHBondContact O-N 2.71Å; L196-R202 VanDerWaalsContact O-CD 3.28Å; L196-R202 WeakPolarHBondContact O-CD 3.34Å; L196-R202 PolarHBondContact O-NH1 3.33Å; L196-A209 HydrophobicContact CD2-CB 4.21Å; L196-A209 HydrophobicContact CG-CB 4.29Å; L196-C210 WeakPolarHBondContact CD2-SG 3.39Å; L196-L240 HydrophobicContact CB-CD1 4.09Å; L196-L240 HydrophobicContact CD1-CD1 4.36Å; L196-S243 WeakPolarHBondContact O-CB 3.43Å; L196-S243 PolarHBondContact O-OG 2.86Å; L196-I244 HydrophobicContact CD1-CD1 4.35Å; L196-I244 HydrophobicContact CD1-CG1 3.73Å
197	I	92.2	Very high	91.8	Very high	45 Å²	45	40 Å²	40	23%	0.231	19%	0.194	C	C	.	.	H	α-helix	trans	-69.3	-43.5	179.4	-69.5	166.7	0	0	0	110.7	M193 P199 R202 L239 L240	M193-I197 WeakPolarHBondContact O-CB 3.49Å; M193-I197 VanDerWaalsContact O-CG1 3.3Å; M193-I197 WeakPolarHBondContact O-CG1 3.39Å; M193-I197 PolarHBondContact O-N 3.13Å; I197-P199 VanDerWaalsContact O-CD 3.32Å; I197-P199 WeakPolarHBondContact O-CD 3.31Å; I197-R202 PolarHBondContact O-NH1 3.04Å; I197-L239 HydrophobicContact CG2-CD2 3.64Å; I197-L239 HydrophobicContact CG2-CG 4.26Å; I197-L240 HydrophobicContact CD1-CB 4.11Å; I197-L240 HydrophobicContact CD1-CD1 4.26Å; I197-L240 HydrophobicContact CG1-CB 4.06Å; I197-L240 HydrophobicContact CG1-CD1 3.95Å
198	N	90.9	Very high	91.4	Very high	32 Å²	32	38.3 Å²	38.3	17%	0.171	19%	0.192	C	C	.	.	S	Bend	trans	-68.6	120.7	179.1	-178.6	-60.4	0	0	0	110.5	E150 N194 Q200 L201 R202	E150-N198 PolarHBondContact OE1-ND2 3.33Å; E150-N198 PolarHBondContact OE2-ND2 2.81Å; N194-N198 VanDerWaalsContact O-CB 3.27Å; N194-N198 WeakPolarHBondContact O-CB 3.4Å; N194-N198 PolarHBondContact O-N 3.38Å; N198-Q200 PolarHBondContact O-N 3.1Å; N198-Q200 WeakPolarHBondContact OD1-CA 3.5Å; N198-Q200 WeakPolarHBondContact OD1-CB 2.87Å; N198-Q200 PolarHBondContact OD1-N 3.2Å; N198-L201 HydrophobicContact CB-CB 4.06Å; N198-L201 HydrophobicContact CB-CD1 4.05Å; N198-L201 HydrophobicContact CB-CG 4.11Å; N198-L201 PolarHBondContact O-N 2.98Å; N198-L201 PolarHBondContact OD1-N 3.43Å; N198-R202 WeakPolarHBondContact O-CB 3.41Å; N198-R202 PolarHBondContact O-N 3.05Å
199	P	87.3	Confident	91.2	Very high	75 Å²	75	38.3 Å²	38.3	49%	0.487	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-37.6	-176.7	-25.1	34.8	0	0	0	114.9	I197 Y203	I197-P199 VanDerWaalsContact O-CD 3.32Å; I197-P199 WeakPolarHBondContact O-CD 3.31Å; P199-Y203 WeakPolarHBondContact O-CB 3.45Å; P199-Y203 PolarHBondContact O-N 3.5Å
200	Q	88.5	Confident	91	Very high	138 Å²	138	37.5 Å²	37.5	65%	0.645	19%	0.188	S	C	*	.	H	α-helix	trans	-70.8	-46.9	179.4	-67.1	-167.6	-14.4	0	0	111	N198 R202 Y203 Y204	N198-Q200 PolarHBondContact O-N 3.1Å; N198-Q200 WeakPolarHBondContact OD1-CA 3.5Å; N198-Q200 WeakPolarHBondContact OD1-CB 2.87Å; N198-Q200 PolarHBondContact OD1-N 3.2Å; Q200-R202 VanDerWaalsContact C-N 3.33Å; Q200-R202 PolarHBondContact O-N 2.99Å; Q200-Y203 WeakPolarHBondContact O-CB 3.04Å; Q200-Y203 PolarHBondContact O-N 3.19Å; Q200-Y204 VanDerWaalsContact O-CD2 3.24Å; Q200-Y204 WeakPolarHBondContact O-CD2 3.23Å; Q200-Y204 PolarHBondContact O-N 3.37Å
201	L	91.1	Very high	90.7	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.052	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-40.3	176.7	-64.9	-178.8	0	0	0	111.1	E150 T195 N198 Y203 Y204 H205	E150-L201 HydrophobicContact CG-CD1 3.8Å; E150-L201 HydrophobicContact CG-CD2 4.08Å; E150-L201 HydrophobicContact CG-CG 3.97Å; T195-L201 HydrophobicContact CG2-CB 4.09Å; T195-L201 CarbonylContact O-C 3.6Å; T195-L201 WeakPolarHBondContact O-CB 3.35Å; N198-L201 HydrophobicContact CB-CB 4.06Å; N198-L201 HydrophobicContact CB-CD1 4.05Å; N198-L201 HydrophobicContact CB-CG 4.11Å; N198-L201 PolarHBondContact O-N 2.98Å; N198-L201 PolarHBondContact OD1-N 3.43Å; L201-Y203 VanDerWaalsContact C-N 3.3Å; L201-Y203 PolarHBondContact O-N 3.47Å; L201-Y204 PolarHBondContact O-N 3.19Å; L201-H205 WeakPolarHBondContact O-CA 3.46Å; L201-H205 WeakPolarHBondContact O-CB 3.35Å; L201-H205 PolarHBondContact O-N 2.93Å
202	R	89.7	Confident	90.4	Very high	32 Å²	32	35.1 Å²	35.1	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-41	175.7	-179.4	176.3	55.8	-131.4	10	111.6	T195 L196 I197 N198 Q200 Y204 G206 S243 T247 M352	T195-R202 WeakPolarHBondContact O-CA 3.33Å; T195-R202 PolarHBondContact O-N 3.08Å; L196-R202 VanDerWaalsContact O-CD 3.28Å; L196-R202 WeakPolarHBondContact O-CD 3.34Å; L196-R202 PolarHBondContact O-NH1 3.33Å; I197-R202 PolarHBondContact O-NH1 3.04Å; N198-R202 WeakPolarHBondContact O-CB 3.41Å; N198-R202 PolarHBondContact O-N 3.05Å; Q200-R202 VanDerWaalsContact C-N 3.33Å; Q200-R202 PolarHBondContact O-N 2.99Å; R202-Y204 PolarHBondContact O-N 3.47Å; R202-G206 WeakPolarHBondContact O-CA 3.43Å; R202-G206 PolarHBondContact O-N 2.71Å; R202-S243 VanDerWaalsContact NH1-CB 3.3Å; R202-S243 PolarHBondContact NH1-OG 3.01Å; R202-T247 WeakPolarHBondContact CD-OG1 3.1Å; R202-T247 WeakPolarHBondContact CG-OG1 2.94Å; R202-M352 PolarHBondContact NH2-SD 2.96Å
203	Y	84.2	Confident	90.3	Very high	71 Å²	71	35.1 Å²	35.1	28%	0.278	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-43.1	178.8	173.6	-106.8	0	0	0	112.7	P199 Q200 L201 K345 S348	P199-Y203 WeakPolarHBondContact O-CB 3.45Å; P199-Y203 PolarHBondContact O-N 3.5Å; Q200-Y203 WeakPolarHBondContact O-CB 3.04Å; Q200-Y203 PolarHBondContact O-N 3.19Å; L201-Y203 VanDerWaalsContact C-N 3.3Å; L201-Y203 PolarHBondContact O-N 3.47Å; Y203-K345 WeakPolarHBondContact OH-CA 3.27Å; Y203-K345 VanDerWaalsContact OH-CG 3.28Å; Y203-K345 WeakPolarHBondContact OH-CG 3.4Å; Y203-K345 PolarHBondContact OH-O 3.25Å; Y203-K345 VanDerWaalsContact OH-O 3.05Å; Y203-S348 VanDerWaalsContact CD2-CB 3.44Å
204	Y	85.5	Confident	90	Very high	95 Å²	95	34.7 Å²	34.7	37%	0.373	17%	0.17	S	C	.	.	H	α-helix	trans	-86.8	-35.1	-178.5	-69.3	-69.8	0	0	0	114.1	E154 Q200 L201 R202	E154-Y204 VanDerWaalsContact CD-CD1 3.48Å; E154-Y204 HydrophobicContact CG-CD1 4.37Å; E154-Y204 HydrophobicContact CG-CG 4.34Å; E154-Y204 WeakPolarHBondContact OE1-CD1 3.46Å; E154-Y204 WeakPolarHBondContact OE1-CE1 3.25Å; Q200-Y204 VanDerWaalsContact O-CD2 3.24Å; Q200-Y204 WeakPolarHBondContact O-CD2 3.23Å; Q200-Y204 PolarHBondContact O-N 3.37Å; L201-Y204 PolarHBondContact O-N 3.19Å; R202-Y204 PolarHBondContact O-N 3.47Å
205	H	90.8	Very high	89.8	Confident	4 Å²	4	30 Å²	30	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-128.4	-3.2	-167.4	-53.5	-47.6	0	0	0	114	R157 S158 F161 T195 L201 V207 T208 A209	R157-H205 VanDerWaalsContact CB-NE2 3.33Å; R157-H205 WeakPolarHBondContact CB-NE2 3.4Å; S158-H205 PolarHBondContact OG-CE1 2.86Å; S158-H205 VanDerWaalsContact OG-CE1 3.24Å; F161-H205 HydrophobicContact CD2-CB 3.87Å; F161-H205 AromaticContact CD2-CG 3.79Å; F161-H205 HydrophobicContact CE2-CB 3.63Å; F161-H205 AromaticContact CE2-CD2 3.97Å; F161-H205 AromaticContact CE2-CG 3.78Å; F161-H205 HydrophobicContact CZ-CB 4.24Å; T195-H205 HydrophobicContact CG2-CB 3.91Å; L201-H205 WeakPolarHBondContact O-CA 3.46Å; L201-H205 WeakPolarHBondContact O-CB 3.35Å; L201-H205 PolarHBondContact O-N 2.93Å; H205-V207 VanDerWaalsContact C-N 3.34Å; H205-V207 PolarHBondContact O-N 2.52Å; H205-T208 PolarHBondContact O-N 3.32Å; H205-T208 VanDerWaalsContact O-N 3.13Å; H205-A209 WeakPolarHBondContact O-CB 3.43Å; H205-A209 PolarHBondContact O-N 3.08Å
206	G	89.2	Confident	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.2	-45.4	-176.1	0	0	0	0	0	112.6	R202 T208 A209 C210 T247	R202-G206 WeakPolarHBondContact O-CA 3.43Å; R202-G206 PolarHBondContact O-N 2.71Å; G206-T208 PolarHBondContact O-N 3.42Å; G206-A209 PolarHBondContact O-N 2.85Å; G206-C210 PolarHBondContact O-N 3.5Å; G206-T247 WeakPolarHBondContact O-CG2 3.3Å
207	V	87.3	Confident	89.6	Confident	40 Å²	40	30 Å²	30	24%	0.242	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-48.3	177.6	175.1	0	0	0	0	110.5	H205 A209 C210 R211 T247 L297	H205-V207 VanDerWaalsContact C-N 3.34Å; H205-V207 PolarHBondContact O-N 2.52Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.49Å; V207-C210 PolarHBondContact O-N 2.81Å; V207-R211 VanDerWaalsContact O-CG 3.3Å; V207-R211 WeakPolarHBondContact O-CG 3.17Å; V207-R211 PolarHBondContact O-N 3.06Å; V207-T247 HydrophobicContact CB-CG2 4.46Å; V207-T247 HydrophobicContact CG2-CG2 3.95Å; V207-L297 HydrophobicContact CG1-CD1 4.32Å
208	T	89.1	Confident	89.4	Confident	37 Å²	37	29 Å²	29	23%	0.227	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-40.6	179.1	-50.3	0	0	0	0	111.7	F161 M165 H205 G206 R211 F212	F161-T208 HydrophobicContact CB-CG2 3.9Å; F161-T208 HydrophobicContact CD1-CG2 4.37Å; F161-T208 HydrophobicContact CG-CG2 4.38Å; M165-T208 HydrophobicContact CG-CG2 4.11Å; H205-T208 PolarHBondContact O-N 3.32Å; H205-T208 VanDerWaalsContact O-N 3.13Å; G206-T208 PolarHBondContact O-N 3.42Å; T208-R211 PolarHBondContact O-N 3.48Å; T208-F212 WeakPolarHBondContact O-CB 3.5Å; T208-F212 PolarHBondContact O-N 2.91Å
209	A	92.4	Very high	89.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-45.1	176	0	0	0	0	0	111.8	F161 I192 T195 L196 H205 G206 V207 R211 F212 L213	F161-A209 HydrophobicContact CE1-CB 4.13Å; I192-A209 HydrophobicContact CG2-CB 4.4Å; T195-A209 HydrophobicContact CG2-CB 3.97Å; L196-A209 HydrophobicContact CD2-CB 4.21Å; L196-A209 HydrophobicContact CG-CB 4.29Å; H205-A209 WeakPolarHBondContact O-CB 3.43Å; H205-A209 PolarHBondContact O-N 3.08Å; G206-A209 PolarHBondContact O-N 2.85Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.49Å; A209-R211 PolarHBondContact O-N 3.2Å; A209-F212 PolarHBondContact O-N 3.22Å; A209-L213 WeakPolarHBondContact O-CB 3.01Å; A209-L213 PolarHBondContact O-N 3.42Å
210	C	90.2	Very high	89.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-38.6	174.7	-76.7	0	0	0	0	112.5	L196 G206 V207 F212 L213 G214 T247 L297	L196-C210 WeakPolarHBondContact CD2-SG 3.39Å; G206-C210 PolarHBondContact O-N 3.5Å; V207-C210 PolarHBondContact O-N 2.81Å; C210-F212 VanDerWaalsContact C-N 3.34Å; C210-L213 PolarHBondContact O-N 2.93Å; C210-G214 PolarHBondContact O-N 2.73Å; C210-T247 HydrophobicContact CB-CG2 4.41Å; C210-L297 HydrophobicContact CB-CD2 3.43Å; C210-L297 VanDerWaalsContact CB-CD2 3.43Å
211	R	88.2	Confident	88.6	Confident	50 Å²	50	25.4 Å²	25.4	19%	0.189	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-42.4	174.8	-68.8	-171.1	-175.8	152.2	13	111.6	M165 V207 T208 A209 G214 L215 P293 S296 L297	M165-R211 HydrophobicContact CE-CB 4.03Å; V207-R211 VanDerWaalsContact O-CG 3.3Å; V207-R211 WeakPolarHBondContact O-CG 3.17Å; V207-R211 PolarHBondContact O-N 3.06Å; T208-R211 PolarHBondContact O-N 3.48Å; A209-R211 PolarHBondContact O-N 3.2Å; R211-G214 PolarHBondContact O-N 2.8Å; R211-L215 PolarHBondContact O-N 3.42Å; R211-P293 PolarHBondContact NE-O 3.14Å; R211-S296 WeakPolarHBondContact CD-OG 3.18Å; R211-S296 VanDerWaalsContact CG-OG 3.25Å; R211-S296 WeakPolarHBondContact CG-OG 3.38Å; R211-L297 HydrophobicContact CG-CD2 3.87Å; R211-L297 HydrophobicContact CG-CG 4.15Å
212	F	91.9	Very high	87.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-47.5	177.4	-172.7	-133	0	0	0	111.2	M164 M165 A168 I188 I192 T208 A209 C210 G214 L215 L216	M164-F212 HydrophobicContact CB-CE1 4.11Å; M164-F212 HydrophobicContact CB-CE2 4.07Å; M164-F212 HydrophobicContact CB-CZ 3.8Å; M164-F212 HydrophobicContact CG-CZ 4.45Å; M164-F212 WeakPolarHBondContact O-CE2 3.4Å; M164-F212 HydrophobicContact SD-CE1 4.03Å; M164-F212 HydrophobicContact SD-CZ 4.45Å; M165-F212 HydrophobicContact CG-CD2 4.43Å; M165-F212 WeakPolarHBondContact SD-CA 3.11Å; M165-F212 HydrophobicContact SD-CB 3.46Å; M165-F212 WeakPolarHBondContact SD-CB 3.36Å; M165-F212 HydrophobicContact SD-CD2 3.53Å; M165-F212 VanDerWaalsContact SD-CD2 3.53Å; M165-F212 HydrophobicContact SD-CG 3.89Å; A168-F212 HydrophobicContact CB-CD2 4.24Å; A168-F212 HydrophobicContact CB-CE2 3.65Å; I188-F212 HydrophobicContact CG2-CE1 3.78Å; I188-F212 HydrophobicContact CG2-CZ 4.39Å; I192-F212 HydrophobicContact CD1-CD1 3.59Å; I192-F212 HydrophobicContact CD1-CE1 3.92Å; I192-F212 HydrophobicContact CG1-CD1 4.03Å; I192-F212 HydrophobicContact CG1-CE1 4.48Å; T208-F212 WeakPolarHBondContact O-CB 3.5Å; T208-F212 PolarHBondContact O-N 2.91Å; A209-F212 PolarHBondContact O-N 3.22Å; C210-F212 VanDerWaalsContact C-N 3.34Å; F212-G214 PolarHBondContact O-N 3.44Å; F212-L215 WeakPolarHBondContact O-CB 3.45Å; F212-L215 PolarHBondContact O-N 3.36Å; F212-L215 VanDerWaalsContact O-N 3.17Å; F212-L216 HydrophobicContact CD1-CD1 4.14Å; F212-L216 HydrophobicContact CD2-CD1 4.37Å; F212-L216 HydrophobicContact CD2-CG 4.36Å; F212-L216 HydrophobicContact CE1-CD1 3.72Å; F212-L216 HydrophobicContact CE2-CD1 3.99Å; F212-L216 HydrophobicContact CE2-CD2 4.29Å; F212-L216 HydrophobicContact CE2-CG 4.13Å; F212-L216 HydrophobicContact CG-CD1 4.44Å; F212-L216 HydrophobicContact CZ-CD1 3.63Å; F212-L216 HydrophobicContact CZ-CD2 4.48Å; F212-L216 HydrophobicContact CZ-CG 4.27Å; F212-L216 WeakPolarHBondContact O-CG 3.14Å; F212-L216 PolarHBondContact O-N 3.24Å
213	L	91.9	Very high	86.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.3	-49.6	175	-176.5	60.5	0	0	0	111.5	I192 M193 A209 C210 L215 L216 L217 F228 I232 I244	I192-L213 HydrophobicContact CG2-CB 4.16Å; I192-L213 HydrophobicContact CG2-CD1 4.49Å; I192-L213 HydrophobicContact CG2-CD2 4.37Å; M193-L213 HydrophobicContact CE-CD1 3.85Å; M193-L213 HydrophobicContact CE-CD2 3.87Å; A209-L213 WeakPolarHBondContact O-CB 3.01Å; A209-L213 PolarHBondContact O-N 3.42Å; C210-L213 PolarHBondContact O-N 2.93Å; L213-L215 PolarHBondContact O-N 3.33Å; L213-L216 PolarHBondContact O-N 3.39Å; L213-L217 HydrophobicContact CD1-CD1 4.2Å; L213-L217 HydrophobicContact CD1-CG 4.17Å; L213-L217 HydrophobicContact CG-CD1 3.88Å; L213-L217 HydrophobicContact CG-CG 4.32Å; L213-L217 WeakPolarHBondContact O-CB 3.42Å; L213-L217 VanDerWaalsContact O-CG 3.25Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 3.05Å; L213-F228 HydrophobicContact CD1-CD2 4.01Å; L213-I232 HydrophobicContact CD1-CD1 4.24Å; L213-I232 HydrophobicContact CD2-CD1 4.23Å; L213-I232 HydrophobicContact CG-CD1 4.44Å; L213-I244 HydrophobicContact CD2-CD1 4.44Å
214	G	89	Confident	86.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-34.7	177.8	0	0	0	0	0	113.1	C210 R211 F212 Q218	C210-G214 PolarHBondContact O-N 2.73Å; R211-G214 PolarHBondContact O-N 2.8Å; F212-G214 PolarHBondContact O-N 3.44Å; G214-Q218 WeakPolarHBondContact O-CG 3.11Å
215	L	89.4	Confident	85.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-71.4	-46.2	175.8	-166.7	70.5	0	0	0	111.9	A168 L174 R211 F212 L213 L217 Q218 I740 I743 I747	A168-L215 HydrophobicContact CB-CD2 3.7Å; L174-L215 HydrophobicContact CD1-CD1 4.14Å; L174-L215 HydrophobicContact CD1-CG 4.38Å; L174-L215 WeakPolarHBondContact CD1-O 2.93Å; L174-L215 HydrophobicContact CD2-CD1 3.72Å; L174-L215 HydrophobicContact CD2-CD2 4.18Å; L174-L215 HydrophobicContact CD2-CG 3.76Å; L174-L215 HydrophobicContact CG-CD1 4.48Å; R211-L215 PolarHBondContact O-N 3.42Å; F212-L215 WeakPolarHBondContact O-CB 3.45Å; F212-L215 PolarHBondContact O-N 3.36Å; F212-L215 VanDerWaalsContact O-N 3.17Å; L213-L215 PolarHBondContact O-N 3.33Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-L217 PolarHBondContact O-N 2.76Å; L215-Q218 PolarHBondContact O-N 3.49Å; L215-I740 HydrophobicContact CD1-CD1 4.15Å; L215-I743 HydrophobicContact CD1-CG2 4.12Å; L215-I747 HydrophobicContact CD1-CD1 4.46Å; L215-I747 HydrophobicContact CD2-CD1 4.07Å
216	L	91.9	Very high	85.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-36.3	-178.5	-69.1	180	0	0	0	112.2	A168 I180 L183 L184 I192 F212 L213 Q218 Y219 F228	A168-L216 HydrophobicContact CB-CD2 4.35Å; I180-L216 HydrophobicContact CG1-CD2 4.45Å; I180-L216 HydrophobicContact CG2-CD2 4.2Å; L183-L216 HydrophobicContact CB-CD2 4.43Å; L184-L216 HydrophobicContact CD2-CB 4.1Å; I192-L216 HydrophobicContact CD1-CD1 4.38Å; F212-L216 HydrophobicContact CD1-CD1 4.14Å; F212-L216 HydrophobicContact CD2-CD1 4.37Å; F212-L216 HydrophobicContact CD2-CG 4.36Å; F212-L216 HydrophobicContact CE1-CD1 3.72Å; F212-L216 HydrophobicContact CE2-CD1 3.99Å; F212-L216 HydrophobicContact CE2-CD2 4.29Å; F212-L216 HydrophobicContact CE2-CG 4.13Å; F212-L216 HydrophobicContact CG-CD1 4.44Å; F212-L216 HydrophobicContact CZ-CD1 3.63Å; F212-L216 HydrophobicContact CZ-CD2 4.48Å; F212-L216 HydrophobicContact CZ-CG 4.27Å; F212-L216 WeakPolarHBondContact O-CG 3.14Å; F212-L216 PolarHBondContact O-N 3.24Å; L213-L216 PolarHBondContact O-N 3.39Å; L216-Q218 PolarHBondContact O-N 2.8Å; L216-Q218 VanDerWaalsContact O-N 3.13Å; L216-Y219 WeakPolarHBondContact O-CB 3.41Å; L216-Y219 PolarHBondContact O-N 3.41Å; L216-F228 HydrophobicContact CB-CD2 4.09Å; L216-F228 HydrophobicContact CB-CE2 4.34Å; L216-F228 HydrophobicContact CD1-CD2 4.07Å; L216-F228 HydrophobicContact CD1-CE2 3.48Å; L216-F228 VanDerWaalsContact CD1-CE2 3.48Å; L216-F228 HydrophobicContact CD1-CZ 4.29Å
217	L	90.3	Very high	85.3	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.3	176.5	-70.9	169.3	0	0	0	113.7	L213 L215 N226 F228 Q229 I232 E303	L213-L217 HydrophobicContact CD1-CD1 4.2Å; L213-L217 HydrophobicContact CD1-CG 4.17Å; L213-L217 HydrophobicContact CG-CD1 3.88Å; L213-L217 HydrophobicContact CG-CG 4.32Å; L213-L217 WeakPolarHBondContact O-CB 3.42Å; L213-L217 VanDerWaalsContact O-CG 3.25Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 3.05Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-L217 PolarHBondContact O-N 2.76Å; L217-N226 PolarHBondContact O-ND2 3.33Å; L217-F228 HydrophobicContact CD2-CB 3.77Å; L217-Q229 HydrophobicContact CD2-CB 4.45Å; L217-Q229 HydrophobicContact CD2-CG 3.89Å; L217-Q229 PolarHBondContact O-NE2 3.28Å; L217-I232 HydrophobicContact CD1-CD1 3.49Å; L217-I232 VanDerWaalsContact CD1-CD1 3.49Å; L217-I232 HydrophobicContact CD2-CD1 3.55Å; L217-I232 HydrophobicContact CD2-CG1 4.45Å; L217-I232 HydrophobicContact CG-CD1 4.05Å; L217-E303 HydrophobicContact CB-CB 4.32Å; L217-E303 HydrophobicContact CB-CG 3.98Å; L217-E303 HydrophobicContact CD1-CB 3.93Å; L217-E303 HydrophobicContact CD1-CG 4.45Å
218	Q	88.7	Confident	85.5	Confident	24 Å²	24	36.8 Å²	36.8	11%	0.112	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.2	-178.3	-64.8	-69.1	-35.2	0	0	112.9	L174 G214 L215 L216 T220 L299 E303 I740	L174-Q218 HydrophobicContact CD1-CB 3.82Å; G214-Q218 WeakPolarHBondContact O-CG 3.11Å; L215-Q218 PolarHBondContact O-N 3.49Å; L216-Q218 PolarHBondContact O-N 2.8Å; L216-Q218 VanDerWaalsContact O-N 3.13Å; Q218-T220 PolarHBondContact O-N 2.7Å; Q218-L299 HydrophobicContact CG-CB 4.43Å; Q218-L299 HydrophobicContact CG-CD1 4.2Å; Q218-L299 HydrophobicContact CG-CD2 4.44Å; Q218-E303 PolarHBondContact NE2-OE1 3.44Å; Q218-I740 HydrophobicContact CB-CD1 3.75Å; Q218-I740 HydrophobicContact CB-CG1 4.32Å; Q218-I740 HydrophobicContact CG-CD1 3.91Å
219	Y	88.8	Confident	85.5	Confident	25 Å²	25	36 Å²	36	10%	0.098	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-70.9	129.3	171.7	-179.6	-102	0	0	0	110.2	L174 I180 P181 L184 L216 E221 N226	L174-Y219 HydrophobicContact CB-CD2 4.4Å; I180-Y219 HydrophobicContact CB-CD2 4.28Å; I180-Y219 HydrophobicContact CG2-CD1 4.11Å; I180-Y219 HydrophobicContact CG2-CD2 3.51Å; I180-Y219 HydrophobicContact CG2-CE2 4.17Å; I180-Y219 HydrophobicContact CG2-CG 3.49Å; I180-Y219 VanDerWaalsContact CG2-CG 3.49Å; P181-Y219 HydrophobicContact CG-CE1 4.36Å; P181-Y219 HydrophobicContact CG-CE2 4.27Å; P181-Y219 WeakPolarHBondContact CG-OH 3.42Å; L184-Y219 HydrophobicContact CD1-CD1 3.48Å; L184-Y219 VanDerWaalsContact CD1-CD1 3.48Å; L184-Y219 HydrophobicContact CD1-CE1 4.07Å; L184-Y219 HydrophobicContact CD1-CG 4.25Å; L216-Y219 WeakPolarHBondContact O-CB 3.41Å; L216-Y219 PolarHBondContact O-N 3.41Å; Y219-E221 HydrophobicContact CD1-CG 4.09Å; Y219-E221 HydrophobicContact CE1-CG 3.55Å; Y219-N226 PolarHBondContact O-ND2 3.09Å
220	T	83.6	Confident	85.3	Confident	93 Å²	93	38.1 Å²	38.1	57%	0.571	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-103.8	117	177.2	-42.1	0	0	0	0	109.1	Q218	Q218-T220 PolarHBondContact O-N 2.7Å
221	E	77.7	Confident	85.2	Confident	51 Å²	51	40.3 Å²	40.3	24%	0.238	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-74	144.5	168.5	-77.6	176.5	-165.5	0	0	110	Y219 D223 S224	Y219-E221 HydrophobicContact CD1-CG 4.09Å; Y219-E221 HydrophobicContact CE1-CG 3.55Å; E221-D223 VanDerWaalsContact C-N 3.25Å; E221-D223 PolarHBondContact O-N 3.24Å; E221-S224 WeakPolarHBondContact CB-O 3.34Å; E221-S224 PolarHBondContact OE2-OG 3.24Å
222	P	68.8	Low	85.1	Confident	116 Å²	116	38.1 Å²	38.1	75%	0.753	21%	0.214	S	C	*	.	S	Bend	trans	-64	-26.2	-172.2	21.4	-31	0	0	0	114.2
223	D	68.7	Low	84.8	Confident	159 Å²	159	43.3 Å²	43.3	85%	0.85	24%	0.239	S	C	*	.	S	Bend	trans	-133.4	2.1	-173.4	-61.4	-54.8	0	0	0	114	E221	E221-D223 VanDerWaalsContact C-N 3.25Å; E221-D223 PolarHBondContact O-N 3.24Å
224	S	73.9	Confident	84.6	Confident	66 Å²	66	50 Å²	50	46%	0.462	27%	0.27	S	S	.	.	S	Bend	trans	-146.9	161.5	-172.2	36.4	0	0	0	0	112.4	E221	E221-S224 WeakPolarHBondContact CB-O 3.34Å; E221-S224 PolarHBondContact OE2-OG 3.24Å
225	L	75.1	Confident	84.4	Confident	91 Å²	91	51 Å²	51	48%	0.476	28%	0.276	S	S	.	.			trans	-66.6	142.9	161.1	-69.1	172.1	0	0	0	108.3
226	N	85.2	Confident	84.1	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.312	C	S	.	.			trans	-63.9	150.7	174.1	74.9	39.5	0	0	0	110	L184 L217 Y219 F228 Q229 T230	L184-N226 HydrophobicContact CD1-CB 4.14Å; L217-N226 PolarHBondContact O-ND2 3.33Å; Y219-N226 PolarHBondContact O-ND2 3.09Å; N226-F228 PolarHBondContact O-N 3.47Å; N226-F228 PolarHBondContact OD1-N 2.99Å; N226-Q229 VanDerWaalsContact CG-CD 3.49Å; N226-Q229 WeakPolarHBondContact ND2-CG 3.28Å; N226-Q229 PolarHBondContact ND2-NE2 3.24Å; N226-Q229 PolarHBondContact O-N 3.17Å; N226-Q229 WeakPolarHBondContact OD1-CA 3.38Å; N226-Q229 WeakPolarHBondContact OD1-CB 3.35Å; N226-Q229 WeakPolarHBondContact OD1-CG 3.5Å; N226-Q229 PolarHBondContact OD1-N 3.27Å; N226-T230 PolarHBondContact O-N 3.46Å; N226-T230 VanDerWaalsContact O-N 3.14Å; N226-T230 PolarHBondContact O-OG1 3.48Å
227	L	88.6	Confident	83.8	Confident	57 Å²	57	62.3 Å²	62.3	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-51.7	-44.8	-177.4	176.6	62.7	0	0	0	112.1	L184 T230 L231	L184-L227 WeakPolarHBondContact O-CD2 3.03Å; L227-T230 WeakPolarHBondContact O-CB 3.2Å; L227-T230 PolarHBondContact O-N 3.13Å; L227-L231 HydrophobicContact CD1-CD1 4.19Å; L227-L231 HydrophobicContact CD1-CG 4.35Å; L227-L231 HydrophobicContact CG-CD1 4.02Å; L227-L231 WeakPolarHBondContact O-CG 3.26Å; L227-L231 PolarHBondContact O-N 2.95Å
228	F	91.8	Very high	83.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-71.4	-35.5	-173.5	-73.7	19.3	0	0	0	112.5	L184 I188 Y189 I192 L213 L216 L217 N226 T230 L231 I232	L184-F228 HydrophobicContact CB-CE1 4.49Å; L184-F228 HydrophobicContact CD2-CB 4.3Å; L184-F228 HydrophobicContact CD2-CD1 3.87Å; L184-F228 HydrophobicContact CD2-CD2 3.98Å; L184-F228 HydrophobicContact CD2-CE1 4.14Å; L184-F228 HydrophobicContact CD2-CE2 4.28Å; L184-F228 HydrophobicContact CD2-CG 3.77Å; L184-F228 HydrophobicContact CD2-CZ 4.34Å; I188-F228 HydrophobicContact CB-CZ 4.31Å; I188-F228 HydrophobicContact CG2-CE2 4.46Å; I188-F228 HydrophobicContact CG2-CZ 4.15Å; Y189-F228 HydrophobicContact CD2-CB 4.28Å; Y189-F228 AromaticContact CD2-CD1 3.82Å; Y189-F228 HydrophobicContact CD2-CD1 3.82Å; Y189-F228 AromaticContact CD2-CD2 3.99Å; Y189-F228 HydrophobicContact CD2-CD2 3.99Å; Y189-F228 HydrophobicContact CD2-CE1 4.12Å; Y189-F228 HydrophobicContact CD2-CE2 4.24Å; Y189-F228 AromaticContact CD2-CG 3.77Å; Y189-F228 HydrophobicContact CD2-CG 3.77Å; Y189-F228 HydrophobicContact CD2-CZ 4.32Å; Y189-F228 HydrophobicContact CE2-CG 4.46Å; Y189-F228 HydrophobicContact CG-CD1 4.43Å; Y189-F228 HydrophobicContact CG-CE1 4.36Å; I192-F228 HydrophobicContact CD1-CE2 4.06Å; L213-F228 HydrophobicContact CD1-CD2 4.01Å; L216-F228 HydrophobicContact CB-CD2 4.09Å; L216-F228 HydrophobicContact CB-CE2 4.34Å; L216-F228 HydrophobicContact CD1-CD2 4.07Å; L216-F228 HydrophobicContact CD1-CE2 3.48Å; L216-F228 VanDerWaalsContact CD1-CE2 3.48Å; L216-F228 HydrophobicContact CD1-CZ 4.29Å; L217-F228 HydrophobicContact CD2-CB 3.77Å; N226-F228 PolarHBondContact O-N 3.47Å; N226-F228 PolarHBondContact OD1-N 2.99Å; F228-T230 VanDerWaalsContact C-N 3.33Å; F228-L231 PolarHBondContact O-N 3.44Å; F228-I232 WeakPolarHBondContact O-CB 3.19Å; F228-I232 WeakPolarHBondContact O-CG1 3.35Å; F228-I232 PolarHBondContact O-N 3.05Å
229	Q	88.5	Confident	83.4	Confident	22 Å²	22	71.1 Å²	71.1	10%	0.103	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-44.6	172.2	-80	170.5	-6.5	0	0	109.8	L217 N226 I232 Q233	L217-Q229 HydrophobicContact CD2-CB 4.45Å; L217-Q229 HydrophobicContact CD2-CG 3.89Å; L217-Q229 PolarHBondContact O-NE2 3.28Å; N226-Q229 VanDerWaalsContact CG-CD 3.49Å; N226-Q229 WeakPolarHBondContact ND2-CG 3.28Å; N226-Q229 PolarHBondContact ND2-NE2 3.24Å; N226-Q229 PolarHBondContact O-N 3.17Å; N226-Q229 WeakPolarHBondContact OD1-CA 3.38Å; N226-Q229 WeakPolarHBondContact OD1-CB 3.35Å; N226-Q229 WeakPolarHBondContact OD1-CG 3.5Å; N226-Q229 PolarHBondContact OD1-N 3.27Å; Q229-I232 PolarHBondContact O-N 2.65Å; Q229-Q233 VanDerWaalsContact O-CB 3.3Å; Q229-Q233 WeakPolarHBondContact O-CB 3.45Å; Q229-Q233 PolarHBondContact O-N 2.94Å
230	T	88.1	Confident	83.4	Confident	43 Å²	43	70.3 Å²	70.3	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-46.7	177.6	-55.2	0	0	0	0	110.9	N226 L227 F228 Q233 Q234	N226-T230 PolarHBondContact O-N 3.46Å; N226-T230 VanDerWaalsContact O-N 3.14Å; N226-T230 PolarHBondContact O-OG1 3.48Å; L227-T230 WeakPolarHBondContact O-CB 3.2Å; L227-T230 PolarHBondContact O-N 3.13Å; F228-T230 VanDerWaalsContact C-N 3.33Å; T230-Q233 PolarHBondContact O-N 2.9Å; T230-Q234 WeakPolarHBondContact O-CG 3.46Å; T230-Q234 PolarHBondContact O-N 2.76Å
231	L	89	Confident	83.5	Confident	46 Å²	46	66 Å²	66	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-63.3	-44.3	177.5	-68.7	171.2	0	0	0	112	Y189 L227 F228 Q234 T235	Y189-L231 HydrophobicContact CD1-CD1 3.87Å; Y189-L231 HydrophobicContact CD2-CB 4.4Å; Y189-L231 HydrophobicContact CD2-CD1 3.79Å; Y189-L231 HydrophobicContact CE1-CB 4.19Å; Y189-L231 HydrophobicContact CE1-CD1 4.09Å; Y189-L231 HydrophobicContact CE2-CB 3.75Å; Y189-L231 HydrophobicContact CE2-CD1 3.99Å; Y189-L231 HydrophobicContact CG-CD1 3.71Å; L227-L231 HydrophobicContact CD1-CD1 4.19Å; L227-L231 HydrophobicContact CD1-CG 4.35Å; L227-L231 HydrophobicContact CG-CD1 4.02Å; L227-L231 WeakPolarHBondContact O-CG 3.26Å; L227-L231 PolarHBondContact O-N 2.95Å; F228-L231 PolarHBondContact O-N 3.44Å; L231-Q234 PolarHBondContact O-N 3.34Å; L231-T235 PolarHBondContact O-N 3.17Å; L231-T235 VanDerWaalsContact O-N 3.09Å; L231-T235 PolarHBondContact O-OG1 2.83Å
232	I	87	Confident	83.9	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-63.7	-41.8	176.7	-76.4	-176.9	0	0	0	112.1	Y189 L213 L217 F228 Q229 Q234 T235 L304	Y189-I232 HydrophobicContact CE2-CG1 4.27Å; L213-I232 HydrophobicContact CD1-CD1 4.24Å; L213-I232 HydrophobicContact CD2-CD1 4.23Å; L213-I232 HydrophobicContact CG-CD1 4.44Å; L217-I232 HydrophobicContact CD1-CD1 3.49Å; L217-I232 VanDerWaalsContact CD1-CD1 3.49Å; L217-I232 HydrophobicContact CD2-CD1 3.55Å; L217-I232 HydrophobicContact CD2-CG1 4.45Å; L217-I232 HydrophobicContact CG-CD1 4.05Å; F228-I232 WeakPolarHBondContact O-CB 3.19Å; F228-I232 WeakPolarHBondContact O-CG1 3.35Å; F228-I232 PolarHBondContact O-N 3.05Å; Q229-I232 PolarHBondContact O-N 2.65Å; I232-Q234 PolarHBondContact O-N 2.82Å; I232-T235 WeakPolarHBondContact O-CB 3.43Å; I232-T235 PolarHBondContact O-N 2.81Å; I232-L304 HydrophobicContact CD1-CD2 4.06Å; I232-L304 HydrophobicContact CG1-CD2 4.48Å; I232-L304 HydrophobicContact CG2-CD2 3.47Å; I232-L304 VanDerWaalsContact CG2-CD2 3.47Å; I232-L304 HydrophobicContact CG2-CG 4.4Å
233	Q	85.3	Confident	84.8	Confident	110 Å²	110	61 Å²	61	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-31.9	178.6	-176.1	171.5	17.5	0	0	111.9	Q229 T230	Q229-Q233 VanDerWaalsContact O-CB 3.3Å; Q229-Q233 WeakPolarHBondContact O-CB 3.45Å; Q229-Q233 PolarHBondContact O-N 2.94Å; T230-Q233 PolarHBondContact O-N 2.9Å
234	Q	86.2	Confident	85.7	Confident	140 Å²	140	53.6 Å²	53.6	65%	0.654	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.9	178	-64.8	175.1	6.5	0	0	113.4	T230 L231 I232 E236	T230-Q234 WeakPolarHBondContact O-CG 3.46Å; T230-Q234 PolarHBondContact O-N 2.76Å; L231-Q234 PolarHBondContact O-N 3.34Å; I232-Q234 PolarHBondContact O-N 2.82Å; Q234-E236 PolarHBondContact O-N 3.39Å
235	T	85.6	Confident	86.3	Confident	20 Å²	20	50.8 Å²	50.8	12%	0.123	26%	0.255	C	S	.	.			trans	-76.7	117.2	-175.9	-63.4	0	0	0	0	110.7	Y189 L231 I232 D237 L240 L241	Y189-T235 PolarHBondContact OH-OG1 2.81Å; L231-T235 PolarHBondContact O-N 3.17Å; L231-T235 VanDerWaalsContact O-N 3.09Å; L231-T235 PolarHBondContact O-OG1 2.83Å; I232-T235 WeakPolarHBondContact O-CB 3.43Å; I232-T235 PolarHBondContact O-N 2.81Å; T235-D237 HydrophobicContact CG2-CB 4.06Å; T235-L240 HydrophobicContact CG2-CD2 3.99Å; T235-L241 HydrophobicContact CG2-CD2 4.12Å; T235-L241 HydrophobicContact CG2-CG 4.25Å
236	E	82.4	Confident	86.6	Confident	165 Å²	165	46.8 Å²	46.8	77%	0.771	23%	0.234	S	C	*	.			trans	-109.6	7.1	169.5	-62.1	-175.1	170.8	0	0	112.1	Q234 E238	Q234-E236 PolarHBondContact O-N 3.39Å; E236-E238 PolarHBondContact O-N 3.09Å
237	D	86.2	Confident	86.7	Confident	74 Å²	74	47 Å²	47	40%	0.396	24%	0.236	S	C	.	.			trans	-68.7	96.4	178.4	-175.5	-10.4	0	0	0	110.8	T235 L239 L240 L241	T235-D237 HydrophobicContact CG2-CB 4.06Å; D237-L239 PolarHBondContact O-N 3.25Å; D237-L239 WeakPolarHBondContact OD1-CA 3.39Å; D237-L239 VanDerWaalsContact OD1-CB 3.29Å; D237-L239 WeakPolarHBondContact OD1-CB 3.37Å; D237-L239 PolarHBondContact OD1-N 3.01Å; D237-L240 HydrophobicContact CB-CB 4Å; D237-L240 PolarHBondContact O-N 3.22Å; D237-L240 PolarHBondContact OD1-N 2.9Å; D237-L241 VanDerWaalsContact O-CG 3.31Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 3.44Å
238	E	83.4	Confident	86.5	Confident	108 Å²	108	44.2 Å²	44.2	51%	0.505	22%	0.221	S	C	.	.	H	α-helix	trans	-55.5	-35.6	177	-77	-172.3	-175.3	0	0	112.7	E236 N242 H310	E236-E238 PolarHBondContact O-N 3.09Å; E238-N242 WeakPolarHBondContact O-CB 3.32Å; E238-N242 VanDerWaalsContact O-CG 3.28Å; E238-N242 PolarHBondContact O-N 3.04Å; E238-N242 PolarHBondContact O-ND2 3.45Å; E238-H310 VanDerWaalsContact CG-NE2 3.31Å; E238-H310 WeakPolarHBondContact CG-NE2 3.34Å; E238-H310 IonicContact OE1-CE1 3.95Å; E238-H310 PolarHBondContact OE1-CE1 3.36Å; E238-H310 IonicContact OE1-NE2 3.74Å
239	L	86.6	Confident	86	Confident	102 Å²	102	44.3 Å²	44.3	53%	0.534	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-46.9	-179.3	-178.4	66.6	0	0	0	109.9	I197 D237 S243	I197-L239 HydrophobicContact CG2-CD2 3.64Å; I197-L239 HydrophobicContact CG2-CG 4.26Å; D237-L239 PolarHBondContact O-N 3.25Å; D237-L239 WeakPolarHBondContact OD1-CA 3.39Å; D237-L239 VanDerWaalsContact OD1-CB 3.29Å; D237-L239 WeakPolarHBondContact OD1-CB 3.37Å; D237-L239 PolarHBondContact OD1-N 3.01Å; L239-S243 VanDerWaalsContact O-CB 3.29Å; L239-S243 WeakPolarHBondContact O-CB 3.49Å; L239-S243 PolarHBondContact O-N 2.86Å; L239-S243 PolarHBondContact O-OG 2.9Å
240	L	88.7	Confident	85.7	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-48.9	177.1	174.3	58.2	0	0	0	111.7	M193 L196 I197 T235 D237 N242 S243 I244	M193-L240 HydrophobicContact CB-CD1 4.07Å; M193-L240 HydrophobicContact CB-CD2 4.18Å; M193-L240 HydrophobicContact CG-CD1 4.23Å; M193-L240 HydrophobicContact CG-CD2 3.81Å; M193-L240 HydrophobicContact SD-CD1 3.49Å; M193-L240 WeakPolarHBondContact SD-CD1 3.29Å; M193-L240 HydrophobicContact SD-CD2 3.54Å; M193-L240 VanDerWaalsContact SD-CD2 3.54Å; M193-L240 HydrophobicContact SD-CG 4.06Å; L196-L240 HydrophobicContact CB-CD1 4.09Å; L196-L240 HydrophobicContact CD1-CD1 4.36Å; I197-L240 HydrophobicContact CD1-CB 4.11Å; I197-L240 HydrophobicContact CD1-CD1 4.26Å; I197-L240 HydrophobicContact CG1-CB 4.06Å; I197-L240 HydrophobicContact CG1-CD1 3.95Å; T235-L240 HydrophobicContact CG2-CD2 3.99Å; D237-L240 HydrophobicContact CB-CB 4Å; D237-L240 PolarHBondContact O-N 3.22Å; D237-L240 PolarHBondContact OD1-N 2.9Å; L240-N242 PolarHBondContact O-N 3.4Å; L240-S243 WeakPolarHBondContact O-CA 3.47Å; L240-S243 VanDerWaalsContact O-CB 3.28Å; L240-S243 WeakPolarHBondContact O-CB 3.36Å; L240-S243 PolarHBondContact O-N 3.48Å; L240-S243 VanDerWaalsContact O-N 3.08Å; L240-I244 HydrophobicContact CD1-CD1 4.13Å; L240-I244 HydrophobicContact CD1-CG1 4.37Å; L240-I244 HydrophobicContact CG-CD1 4.2Å; L240-I244 PolarHBondContact O-N 3.44Å
241	L	87.6	Confident	85.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-43.6	-178.3	-64.1	174.8	0	0	0	111.2	T235 D237 S243 I244 L245 L304 F311 L314	T235-L241 HydrophobicContact CG2-CD2 4.12Å; T235-L241 HydrophobicContact CG2-CG 4.25Å; D237-L241 VanDerWaalsContact O-CG 3.31Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 3.44Å; L241-S243 VanDerWaalsContact C-N 3.29Å; L241-S243 PolarHBondContact O-N 3.34Å; L241-I244 PolarHBondContact O-N 2.84Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.43Å; L241-L245 PolarHBondContact O-N 3.31Å; L241-L304 HydrophobicContact CD2-CD2 4.16Å; L241-F311 HydrophobicContact CB-CD2 4.08Å; L241-F311 HydrophobicContact CD2-CD2 3.78Å; L241-F311 HydrophobicContact CG-CD2 4.39Å; L241-L314 HydrophobicContact CB-CD1 3.59Å; L241-L314 HydrophobicContact CD1-CD1 3.96Å; L241-L314 HydrophobicContact CG-CD1 4.45Å
242	N	84.8	Confident	85.2	Confident	61 Å²	61	42.5 Å²	42.5	33%	0.326	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-36.1	172.6	-78.3	-56.1	0	0	0	112.4	E238 L240 L245 S246	E238-N242 WeakPolarHBondContact O-CB 3.32Å; E238-N242 VanDerWaalsContact O-CG 3.28Å; E238-N242 PolarHBondContact O-N 3.04Å; E238-N242 PolarHBondContact O-ND2 3.45Å; L240-N242 PolarHBondContact O-N 3.4Å; N242-L245 PolarHBondContact O-N 3.01Å; N242-S246 WeakPolarHBondContact O-CB 3.39Å; N242-S246 PolarHBondContact O-N 3Å; N242-S246 PolarHBondContact O-OG 3.28Å
243	S	87.6	Confident	84.9	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-43.1	176.5	-61.7	0	0	0	0	111.9	L196 R202 L239 L240 L241 S246 T247	L196-S243 WeakPolarHBondContact O-CB 3.43Å; L196-S243 PolarHBondContact O-OG 2.86Å; R202-S243 VanDerWaalsContact NH1-CB 3.3Å; R202-S243 PolarHBondContact NH1-OG 3.01Å; L239-S243 VanDerWaalsContact O-CB 3.29Å; L239-S243 WeakPolarHBondContact O-CB 3.49Å; L239-S243 PolarHBondContact O-N 2.86Å; L239-S243 PolarHBondContact O-OG 2.9Å; L240-S243 WeakPolarHBondContact O-CA 3.47Å; L240-S243 VanDerWaalsContact O-CB 3.28Å; L240-S243 WeakPolarHBondContact O-CB 3.36Å; L240-S243 PolarHBondContact O-N 3.48Å; L240-S243 VanDerWaalsContact O-N 3.08Å; L241-S243 VanDerWaalsContact C-N 3.29Å; L241-S243 PolarHBondContact O-N 3.34Å; S243-S246 PolarHBondContact O-OG 3.11Å; S243-T247 PolarHBondContact O-N 3.38Å; S243-T247 VanDerWaalsContact O-N 3.17Å; S243-T247 PolarHBondContact O-OG1 2.83Å
244	I	87.9	Confident	84.5	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-49.9	174	-65.7	162	0	0	0	110.4	L196 L213 L240 L241 S246 T247 V248 L304 F311	L196-I244 HydrophobicContact CD1-CD1 4.35Å; L196-I244 HydrophobicContact CD1-CG1 3.73Å; L213-I244 HydrophobicContact CD2-CD1 4.44Å; L240-I244 HydrophobicContact CD1-CD1 4.13Å; L240-I244 HydrophobicContact CD1-CG1 4.37Å; L240-I244 HydrophobicContact CG-CD1 4.2Å; L240-I244 PolarHBondContact O-N 3.44Å; L241-I244 PolarHBondContact O-N 2.84Å; I244-S246 VanDerWaalsContact C-N 3.32Å; I244-S246 PolarHBondContact O-N 3.26Å; I244-T247 WeakPolarHBondContact O-CB 3.44Å; I244-T247 PolarHBondContact O-N 3.3Å; I244-T247 VanDerWaalsContact O-N 3.11Å; I244-V248 HydrophobicContact CG2-CG2 4.39Å; I244-V248 WeakPolarHBondContact O-CG2 3.42Å; I244-V248 PolarHBondContact O-N 3.44Å; I244-L304 HydrophobicContact CB-CD1 4.47Å; I244-L304 HydrophobicContact CD1-CD1 4.2Å; I244-L304 HydrophobicContact CD1-CD2 4.46Å; I244-L304 HydrophobicContact CG2-CD1 3.53Å; I244-F311 HydrophobicContact CG2-CE2 4.38Å
245	L	85.8	Confident	84.3	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-54.5	-48.5	178.4	-71.4	167.9	0	0	0	111.1	L241 N242 T247 V248 A249 L301 F311 L314 L315 L446	L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.43Å; L241-L245 PolarHBondContact O-N 3.31Å; N242-L245 PolarHBondContact O-N 3.01Å; L245-T247 VanDerWaalsContact C-N 3.27Å; L245-T247 PolarHBondContact O-N 2.86Å; L245-V248 PolarHBondContact O-N 2.73Å; L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 3.07Å; L245-L301 HydrophobicContact CD2-CD1 4.41Å; L245-F311 HydrophobicContact CD1-CD2 4.42Å; L245-F311 HydrophobicContact CD1-CE2 4.16Å; L245-F311 HydrophobicContact CD2-CD2 4.29Å; L245-F311 HydrophobicContact CD2-CE1 3.77Å; L245-F311 HydrophobicContact CD2-CE2 3.5Å; L245-F311 HydrophobicContact CD2-CZ 3.2Å; L245-F311 HydrophobicContact CG-CD2 4.25Å; L245-F311 HydrophobicContact CG-CE2 3.52Å; L245-F311 HydrophobicContact CG-CZ 3.78Å; L245-L314 HydrophobicContact CD1-CB 3.54Å; L245-L315 HydrophobicContact CD2-CB 3.99Å; L245-L315 HydrophobicContact CD2-CD1 3.68Å; L245-L315 HydrophobicContact CD2-CG 4.42Å; L245-L446 HydrophobicContact CB-CD2 3.65Å; L245-L446 HydrophobicContact CD2-CD2 3.32Å; L245-L446 HydrophobicContact CG-CD2 4.05Å
246	S	82.7	Confident	84.1	Confident	7 Å²	7	32.5 Å²	32.5	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-37.2	179.3	71.1	0	0	0	0	113.2	N242 S243 I244 A249 L250 H321	N242-S246 WeakPolarHBondContact O-CB 3.39Å; N242-S246 PolarHBondContact O-N 3Å; N242-S246 PolarHBondContact O-OG 3.28Å; S243-S246 PolarHBondContact O-OG 3.11Å; I244-S246 VanDerWaalsContact C-N 3.32Å; I244-S246 PolarHBondContact O-N 3.26Å; S246-A249 PolarHBondContact O-N 3.04Å; S246-L250 PolarHBondContact O-N 2.96Å; S246-H321 VanDerWaalsContact CA-NE2 3.34Å; S246-H321 WeakPolarHBondContact CA-NE2 3.38Å; S246-H321 WeakPolarHBondContact CB-CE1 3.49Å; S246-H321 WeakPolarHBondContact CB-NE2 3.46Å
247	T	86	Confident	83.9	Confident	5 Å²	5	26.2 Å²	26.2	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-69.9	-44.2	179.4	-57.8	0	0	0	0	111.1	R202 G206 V207 C210 S243 I244 L245 A249 L250 A251	R202-T247 WeakPolarHBondContact CD-OG1 3.1Å; R202-T247 WeakPolarHBondContact CG-OG1 2.94Å; G206-T247 WeakPolarHBondContact O-CG2 3.3Å; V207-T247 HydrophobicContact CB-CG2 4.46Å; V207-T247 HydrophobicContact CG2-CG2 3.95Å; C210-T247 HydrophobicContact CB-CG2 4.41Å; S243-T247 PolarHBondContact O-N 3.38Å; S243-T247 VanDerWaalsContact O-N 3.17Å; S243-T247 PolarHBondContact O-OG1 2.83Å; I244-T247 WeakPolarHBondContact O-CB 3.44Å; I244-T247 PolarHBondContact O-N 3.3Å; I244-T247 VanDerWaalsContact O-N 3.11Å; L245-T247 VanDerWaalsContact C-N 3.27Å; L245-T247 PolarHBondContact O-N 2.86Å; T247-A249 VanDerWaalsContact C-N 3.32Å; T247-L250 PolarHBondContact O-N 2.95Å; T247-A251 PolarHBondContact O-N 3.26Å
248	V	84.6	Confident	83.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-40.6	174.9	176.9	0	0	0	0	110.3	I244 L245 L250 A251 L252 L297 L446	I244-V248 HydrophobicContact CG2-CG2 4.39Å; I244-V248 WeakPolarHBondContact O-CG2 3.42Å; I244-V248 PolarHBondContact O-N 3.44Å; L245-V248 PolarHBondContact O-N 2.73Å; V248-L250 PolarHBondContact O-N 3.41Å; V248-A251 PolarHBondContact O-N 3.28Å; V248-L252 HydrophobicContact CG1-CD1 3.88Å; V248-L252 HydrophobicContact CG1-CG 4.2Å; V248-L252 WeakPolarHBondContact O-CG 3.46Å; V248-L252 PolarHBondContact O-N 3.25Å; V248-L297 HydrophobicContact CG2-CB 4.43Å; V248-L446 HydrophobicContact CB-CD1 4.47Å; V248-L446 HydrophobicContact CG1-CD1 4.17Å
249	A	82.6	Confident	82.7	Confident	2 Å²	2	22 Å²	22	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-46.4	179.1	0	0	0	0	0	111.5	L245 S246 T247 A251 L252 S253 L446	L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 3.07Å; S246-A249 PolarHBondContact O-N 3.04Å; T247-A249 VanDerWaalsContact C-N 3.32Å; A249-A251 VanDerWaalsContact C-N 3.31Å; A249-A251 PolarHBondContact O-N 3.3Å; A249-L252 PolarHBondContact O-N 3.36Å; A249-S253 WeakPolarHBondContact O-CB 3.32Å; A249-S253 PolarHBondContact O-N 3.01Å; A249-L446 VanDerWaalsContact CA-CD1 3.41Å; A249-L446 HydrophobicContact CB-CB 3.72Å; A249-L446 HydrophobicContact CB-CD1 3.58Å; A249-L446 HydrophobicContact CB-CG 4.1Å
250	L	81.6	Confident	82	Confident	62 Å²	62	17.6 Å²	17.6	33%	0.325	9%	0.092	S	C	.	.	H	α-helix	trans	-56.3	-46.8	176.8	-177.1	65.9	0	0	0	111.5	S246 T247 V248 S253 E254 L344	S246-L250 PolarHBondContact O-N 2.96Å; T247-L250 PolarHBondContact O-N 2.95Å; V248-L250 PolarHBondContact O-N 3.41Å; L250-S253 PolarHBondContact O-N 3.44Å; L250-E254 WeakPolarHBondContact O-CB 3.48Å; L250-E254 PolarHBondContact O-N 2.95Å; L250-L344 HydrophobicContact CD1-CD2 4.21Å
251	A	82.2	Confident	81.1	Confident	10 Å²	10	22.6 Å²	22.6	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-42.4	-179.2	0	0	0	0	0	112.8	T247 V248 A249 E254 F255 L297	T247-A251 PolarHBondContact O-N 3.26Å; V248-A251 PolarHBondContact O-N 3.28Å; A249-A251 VanDerWaalsContact C-N 3.31Å; A249-A251 PolarHBondContact O-N 3.3Å; A251-E254 PolarHBondContact O-N 3.22Å; A251-F255 PolarHBondContact O-N 3.33Å; A251-F255 VanDerWaalsContact O-N 3.08Å; A251-L297 HydrophobicContact CB-CD1 3.28Å
252	L	84.1	Confident	80	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.6	-41.3	176.4	-67.4	177.3	0	0	0	111.5	V248 A249 E254 F255 N256 C294 L446 D449 L450 Y453	V248-L252 HydrophobicContact CG1-CD1 3.88Å; V248-L252 HydrophobicContact CG1-CG 4.2Å; V248-L252 WeakPolarHBondContact O-CG 3.46Å; V248-L252 PolarHBondContact O-N 3.25Å; A249-L252 PolarHBondContact O-N 3.36Å; L252-E254 PolarHBondContact O-N 3.3Å; L252-F255 WeakPolarHBondContact O-CB 3.4Å; L252-F255 PolarHBondContact O-N 3.46Å; L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 3.29Å; L252-N256 PolarHBondContact O-ND2 2.87Å; L252-C294 HydrophobicContact CD2-CB 4.29Å; L252-L446 HydrophobicContact CD1-CD1 3.95Å; L252-D449 HydrophobicContact CB-CB 4Å; L252-L450 HydrophobicContact CD1-CB 4.16Å; L252-L450 HydrophobicContact CD1-CD1 4.04Å; L252-Y453 HydrophobicContact CD2-CD1 4.24Å; L252-Y453 HydrophobicContact CD2-CD2 3.77Å; L252-Y453 HydrophobicContact CD2-CE2 4.27Å; L252-Y453 HydrophobicContact CD2-CG 3.76Å
253	S	81.7	Confident	79	Confident	5 Å²	5	27.6 Å²	27.6	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-43.9	176.5	-176.9	0	0	0	0	111.5	A249 L250 F255 N256 L257 R444	A249-S253 WeakPolarHBondContact O-CB 3.32Å; A249-S253 PolarHBondContact O-N 3.01Å; L250-S253 PolarHBondContact O-N 3.44Å; S253-F255 VanDerWaalsContact C-N 3.34Å; S253-F255 PolarHBondContact O-N 2.91Å; S253-N256 PolarHBondContact O-N 2.86Å; S253-L257 WeakPolarHBondContact O-CB 3.47Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.18Å; S253-R444 PolarHBondContact O-NH1 3.13Å; S253-R444 WeakPolarHBondContact OG-CD 3.45Å; S253-R444 PolarHBondContact OG-NH1 2.88Å
254	E	76.6	Confident	77.4	Confident	47 Å²	47	33.6 Å²	33.6	22%	0.22	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-44	175	-173.4	-174.6	162.5	0	0	111.6	L250 A251 L252 L257 K258 L344	L250-E254 WeakPolarHBondContact O-CB 3.48Å; L250-E254 PolarHBondContact O-N 2.95Å; A251-E254 PolarHBondContact O-N 3.22Å; L252-E254 PolarHBondContact O-N 3.3Å; E254-L257 PolarHBondContact O-N 2.92Å; E254-K258 HydrophobicContact CG-CD 4.3Å; E254-K258 WeakPolarHBondContact O-CG 3.35Å; E254-K258 PolarHBondContact O-N 2.95Å; E254-K258 WeakPolarHBondContact OE1-CE 3.46Å; E254-K258 IonicContact OE1-NZ 3.11Å; E254-K258 PolarHBondContact OE1-NZ 3.48Å; E254-L344 HydrophobicContact CB-CD1 4.06Å; E254-L344 HydrophobicContact CG-CD1 3.69Å
255	F	81.1	Confident	75.6	Confident	12 Å²	12	40.5 Å²	40.5	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-50.5	174.4	171.4	-82.8	0	0	0	111.3	A251 L252 S253 L257 K258 F259 I289 L291 Y453 V456	A251-F255 PolarHBondContact O-N 3.33Å; A251-F255 VanDerWaalsContact O-N 3.08Å; L252-F255 WeakPolarHBondContact O-CB 3.4Å; L252-F255 PolarHBondContact O-N 3.46Å; S253-F255 VanDerWaalsContact C-N 3.34Å; S253-F255 PolarHBondContact O-N 2.91Å; F255-L257 VanDerWaalsContact C-N 3.3Å; F255-L257 PolarHBondContact O-N 3.5Å; F255-K258 PolarHBondContact O-N 2.82Å; F255-F259 PolarHBondContact O-N 3.27Å; F255-I289 HydrophobicContact CD2-CG2 3.49Å; F255-I289 VanDerWaalsContact CD2-CG2 3.49Å; F255-I289 HydrophobicContact CE2-CB 4.32Å; F255-I289 HydrophobicContact CE2-CG2 3.24Å; F255-I289 HydrophobicContact CZ-CG2 4.2Å; F255-L291 HydrophobicContact CE2-CD2 3.66Å; F255-L291 HydrophobicContact CE2-CG 4.24Å; F255-L291 HydrophobicContact CZ-CD2 3.59Å; F255-Y453 AromaticContact CD1-CD2 3.4Å; F255-Y453 HydrophobicContact CD1-CD2 3.4Å; F255-Y453 VanDerWaalsContact CD1-CD2 3.4Å; F255-Y453 AromaticContact CD1-CE2 3.91Å; F255-Y453 HydrophobicContact CD1-CE2 3.91Å; F255-Y453 HydrophobicContact CD2-CD2 4.44Å; F255-Y453 HydrophobicContact CD2-CE2 4.15Å; F255-Y453 AromaticContact CE1-CD2 3.47Å; F255-Y453 HydrophobicContact CE1-CD2 3.47Å; F255-Y453 VanDerWaalsContact CE1-CD2 3.47Å; F255-Y453 AromaticContact CE1-CE2 3.8Å; F255-Y453 HydrophobicContact CE1-CE2 3.8Å; F255-Y453 HydrophobicContact CE1-CG 4.49Å; F255-Y453 HydrophobicContact CE2-CD2 4.47Å; F255-Y453 HydrophobicContact CE2-CE2 4.02Å; F255-Y453 AromaticContact CG-CD2 3.93Å; F255-Y453 HydrophobicContact CG-CD2 3.93Å; F255-Y453 HydrophobicContact CG-CE2 4.1Å; F255-Y453 HydrophobicContact CZ-CD2 4.04Å; F255-Y453 AromaticContact CZ-CE2 3.87Å; F255-Y453 HydrophobicContact CZ-CE2 3.87Å; F255-V456 HydrophobicContact CE1-CB 4.05Å; F255-V456 HydrophobicContact CE1-CG1 3.88Å; F255-V456 HydrophobicContact CE1-CG2 4.34Å; F255-V456 HydrophobicContact CZ-CB 4.46Å; F255-V456 HydrophobicContact CZ-CG1 3.86Å
256	N	80.9	Confident	73.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-40.8	-177.7	-70.6	-25.3	0	0	0	111.4	L252 S253 F259 G260 D449 E452 Y453	L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 3.29Å; L252-N256 PolarHBondContact O-ND2 2.87Å; S253-N256 PolarHBondContact O-N 2.86Å; N256-F259 PolarHBondContact O-N 3.29Å; N256-G260 PolarHBondContact O-N 3.2Å; N256-D449 PolarHBondContact ND2-O 3.11Å; N256-E452 HydrophobicContact CB-CG 4Å; N256-Y453 WeakPolarHBondContact OD1-CA 3.25Å; N256-Y453 PolarHBondContact OD1-N 2.82Å
257	L	78.4	Confident	71.9	Confident	33 Å²	33	44.8 Å²	44.8	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-47.9	175.3	-75.7	165.7	0	0	0	111.7	S253 E254 F255 F259 G260 Q261	S253-L257 WeakPolarHBondContact O-CB 3.47Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.18Å; E254-L257 PolarHBondContact O-N 2.92Å; F255-L257 VanDerWaalsContact C-N 3.3Å; F255-L257 PolarHBondContact O-N 3.5Å; L257-F259 VanDerWaalsContact C-N 3.32Å; L257-F259 PolarHBondContact O-N 3.32Å; L257-G260 PolarHBondContact O-N 3.34Å; L257-Q261 WeakPolarHBondContact O-CG 3.26Å; L257-Q261 PolarHBondContact O-N 3.32Å
258	K	72.3	Confident	69.7	Low	68 Å²	68	46 Å²	46	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-41.5	177.1	-76.6	175	171.7	170.8	0	111.6	E254 F255 Q262	E254-K258 HydrophobicContact CG-CD 4.3Å; E254-K258 WeakPolarHBondContact O-CG 3.35Å; E254-K258 PolarHBondContact O-N 2.95Å; E254-K258 WeakPolarHBondContact OE1-CE 3.46Å; E254-K258 IonicContact OE1-NZ 3.11Å; E254-K258 PolarHBondContact OE1-NZ 3.48Å; F255-K258 PolarHBondContact O-N 2.82Å; K258-Q262 WeakPolarHBondContact O-CG 3.5Å; K258-Q262 PolarHBondContact O-N 2.89Å
259	F	73.9	Confident	67.8	Low	25 Å²	25	53.7 Å²	53.7	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-46.1	175.5	-178.1	-97	0	0	0	112.3	F255 N256 L257 Q261 Q262 R263 I289 V456 H502	F255-F259 PolarHBondContact O-N 3.27Å; N256-F259 PolarHBondContact O-N 3.29Å; L257-F259 VanDerWaalsContact C-N 3.32Å; L257-F259 PolarHBondContact O-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.46Å; F259-Q262 PolarHBondContact O-N 3.17Å; F259-R263 PolarHBondContact O-N 3.26Å; F259-I289 HydrophobicContact CB-CD1 3.97Å; F259-I289 HydrophobicContact CD2-CD1 3.61Å; F259-I289 HydrophobicContact CG-CD1 4.28Å; F259-V456 HydrophobicContact CD1-CG1 4.22Å; F259-V456 HydrophobicContact CD1-CG2 3.51Å; F259-V456 HydrophobicContact CD2-CG1 3.54Å; F259-V456 HydrophobicContact CD2-CG2 4.34Å; F259-V456 HydrophobicContact CE1-CB 4.48Å; F259-V456 HydrophobicContact CE1-CG1 4.16Å; F259-V456 HydrophobicContact CE1-CG2 3.59Å; F259-V456 HydrophobicContact CE2-CG1 3.47Å; F259-V456 VanDerWaalsContact CE2-CG1 3.47Å; F259-V456 HydrophobicContact CE2-CG2 4.42Å; F259-V456 HydrophobicContact CG-CG1 3.93Å; F259-V456 HydrophobicContact CG-CG2 3.91Å; F259-V456 HydrophobicContact CZ-CB 4.49Å; F259-V456 HydrophobicContact CZ-CG1 3.8Å; F259-V456 HydrophobicContact CZ-CG2 4.07Å; F259-H502 AromaticContact CD1-NE2 3.87Å; F259-H502 AromaticContact CE1-CE1 3.93Å; F259-H502 AromaticContact CE1-CG 3.98Å; F259-H502 AromaticContact CE1-ND1 3.92Å
260	G	71.5	Confident	65.9	Low	10 Å²	10	61 Å²	61	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-57.3	-46.8	177.8	0	0	0	0	0	112.6	N256 L257 Q262 R263 D264	N256-G260 PolarHBondContact O-N 3.2Å; L257-G260 PolarHBondContact O-N 3.34Å; G260-Q262 PolarHBondContact O-N 2.98Å; G260-R263 PolarHBondContact O-N 3Å; G260-D264 PolarHBondContact O-N 2.94Å
261	Q	69.1	Low	63.8	Low	114 Å²	114	60.5 Å²	60.5	53%	0.533	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-41.3	179	-70	174.3	2.8	0	0	112.9	L257 F259 N265	L257-Q261 WeakPolarHBondContact O-CG 3.26Å; L257-Q261 PolarHBondContact O-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.46Å; Q261-N265 WeakPolarHBondContact O-CB 3.27Å; Q261-N265 PolarHBondContact O-N 3.45Å
262	Q	65.3	Low	61.6	Low	102 Å²	102	60.6 Å²	60.6	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-68	-38.9	177.7	-71.4	-174	-0.7	0	0	112.3	K258 F259 G260 S266	K258-Q262 WeakPolarHBondContact O-CG 3.5Å; K258-Q262 PolarHBondContact O-N 2.89Å; F259-Q262 PolarHBondContact O-N 3.17Å; G260-Q262 PolarHBondContact O-N 2.98Å; Q262-S266 PolarHBondContact O-N 2.67Å
263	R	63	Low	59.2	Low	65 Å²	65	66.5 Å²	66.5	25%	0.245	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-43.5	178.9	-170.5	176.3	176.3	132.1	-3.1	111.5	F259 G260 S266 K503	F259-R263 PolarHBondContact O-N 3.26Å; G260-R263 PolarHBondContact O-N 3Å; R263-S266 PolarHBondContact O-N 3.25Å; R263-S266 PolarHBondContact O-OG 3.07Å; R263-K503 PolarHBondContact NH2-O 3.37Å
264	D	54.7	Low	57.1	Low	130 Å²	130	69.8 Å²	69.8	70%	0.695	39%	0.385	S	S	*	.	H	α-helix	trans	-69.9	-34.6	-178.8	-69.9	-20.5	0	0	0	112.6	G260 S266	G260-D264 PolarHBondContact O-N 2.94Å; D264-S266 PolarHBondContact O-N 3.45Å
265	N	50.5	Low	55.2	Low	147 Å²	147	70.7 Å²	70.7	79%	0.786	40%	0.397	S	S	*	.	H	α-helix	trans	-67.6	-17.3	174.4	-77	-2.1	0	0	0	113.4	Q261 G267	Q261-N265 WeakPolarHBondContact O-CB 3.27Å; Q261-N265 PolarHBondContact O-N 3.45Å; N265-G267 VanDerWaalsContact C-N 3.27Å; N265-G267 PolarHBondContact O-N 3.38Å
266	S	49.9	Very low	53.2	Low	37 Å²	37	75.3 Å²	75.3	26%	0.259	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	20	-178.4	75.3	0	0	0	0	114.7	Q262 R263 D264 G268 S272	Q262-S266 PolarHBondContact O-N 2.67Å; R263-S266 PolarHBondContact O-N 3.25Å; R263-S266 PolarHBondContact O-OG 3.07Å; D264-S266 PolarHBondContact O-N 3.45Å; S266-G268 PolarHBondContact O-N 2.66Å; S266-S272 PolarHBondContact O-OG 2.8Å
267	G	39.3	Very low	51.1	Low	66 Å²	66	79 Å²	79	68%	0.68	43%	0.433	S	S	*	.			trans	-59.9	15.5	-170.6	0	0	0	0	0	119.7	N265	N265-G267 VanDerWaalsContact C-N 3.27Å; N265-G267 PolarHBondContact O-N 3.38Å
268	G	39.5	Very low	49	Very low	30 Å²	30	80.7 Å²	80.7	31%	0.309	45%	0.445	S	S	.	.			trans	-91.1	121.6	169.5	0	0	0	0	0	112.1	S266 L270 S271 S272	S266-G268 PolarHBondContact O-N 2.66Å; G268-L270 PolarHBondContact O-N 2.9Å; G268-S271 WeakPolarHBondContact CA-OG 2.81Å; G268-S271 PolarHBondContact O-N 3.49Å; G268-S271 PolarHBondContact O-OG 2.98Å; G268-S272 PolarHBondContact O-N 2.81Å; G268-S272 PolarHBondContact O-OG 3.06Å
269	I	45	Very low	47.4	Very low	163 Å²	163	80 Å²	80	84%	0.836	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-20.1	-177.2	-69.9	166.9	0	0	0	113.9
270	L	42.7	Very low	45.6	Very low	154 Å²	154	81.3 Å²	81.3	81%	0.806	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-17	176	-72.2	165.8	0	0	0	114.2	G268	G268-L270 PolarHBondContact O-N 2.9Å
271	S	38	Very low	44.1	Very low	53 Å²	53	86.5 Å²	86.5	37%	0.371	48%	0.484	S	S	.	.	H	α-helix	trans	-82.5	-29.3	180	59.4	0	0	0	0	112.4	G268 F273 S274 S275	G268-S271 WeakPolarHBondContact CA-OG 2.81Å; G268-S271 PolarHBondContact O-N 3.49Å; G268-S271 PolarHBondContact O-OG 2.98Å; S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact O-N 3.42Å; S271-S274 PolarHBondContact O-N 2.93Å; S271-S275 VanDerWaalsContact O-CB 3.26Å; S271-S275 WeakPolarHBondContact O-CB 3.28Å; S271-S275 PolarHBondContact O-N 3.49Å; S271-S275 PolarHBondContact O-OG 3.36Å
272	S	37	Very low	42.5	Very low	12 Å²	12	83.8 Å²	83.8	8%	0.084	48%	0.477	C	S	.	.	H	α-helix	trans	-63.5	-32.8	179	-23.6	0	0	0	0	112.2	S266 G268 F276 R505	S266-S272 PolarHBondContact O-OG 2.8Å; G268-S272 PolarHBondContact O-N 2.81Å; G268-S272 PolarHBondContact O-OG 3.06Å; S272-F276 WeakPolarHBondContact O-CB 3.44Å; S272-F276 PolarHBondContact O-N 3.48Å; S272-R505 PolarHBondContact OG-NH1 3.2Å; S272-R505 VanDerWaalsContact OG-NH1 3.08Å
273	F	34	Very low	40.9	Very low	123 Å²	123	82 Å²	82	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-73.4	-46.2	174.3	-93.1	-94.4	0	0	0	111.3	S271 F277	S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact O-N 3.42Å; F273-F277 HydrophobicContact CB-CD2 4.29Å; F273-F277 AromaticContact CD1-CD2 3.58Å; F273-F277 HydrophobicContact CD1-CD2 3.58Å; F273-F277 AromaticContact CD1-CE2 3.11Å; F273-F277 HydrophobicContact CD1-CE2 3.11Å; F273-F277 AromaticContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CE1-CD2 4.27Å; F273-F277 AromaticContact CE1-CE2 3.35Å; F273-F277 HydrophobicContact CE1-CE2 3.35Å; F273-F277 AromaticContact CE1-CZ 3.67Å; F273-F277 HydrophobicContact CE1-CZ 3.67Å; F273-F277 HydrophobicContact CG-CD2 4.22Å; F273-F277 HydrophobicContact CG-CE2 4.01Å; F273-F277 HydrophobicContact CZ-CE2 4.38Å; F273-F277 WeakPolarHBondContact O-CA 3.4Å; F273-F277 WeakPolarHBondContact O-CB 3.2Å; F273-F277 WeakPolarHBondContact O-CD2 3.45Å; F273-F277 WeakPolarHBondContact O-CG 3.21Å; F273-F277 PolarHBondContact O-N 3.42Å
274	S	37.5	Very low	39.3	Very low	74 Å²	74	84.9 Å²	84.9	52%	0.517	51%	0.507	S	S	.	.	H	α-helix	trans	-70	-44.1	179.4	-178.9	0	0	0	0	111.9	S271 T278	S271-S274 PolarHBondContact O-N 2.93Å; S274-T278 WeakPolarHBondContact O-CA 3.3Å; S274-T278 WeakPolarHBondContact O-CB 3.44Å; S274-T278 PolarHBondContact O-N 3.08Å; S274-T278 PolarHBondContact O-OG1 2.84Å
275	S	35	Very low	38.4	Very low	66 Å²	66	84.3 Å²	84.3	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-66.4	-50.6	177.4	-48	0	0	0	0	111.4	S271 F277 T278 T279	S271-S275 VanDerWaalsContact O-CB 3.26Å; S271-S275 WeakPolarHBondContact O-CB 3.28Å; S271-S275 PolarHBondContact O-N 3.49Å; S271-S275 PolarHBondContact O-OG 3.36Å; S275-F277 PolarHBondContact O-N 2.69Å; S275-T278 PolarHBondContact O-N 3.23Å; S275-T279 VanDerWaalsContact O-CB 3.27Å; S275-T279 WeakPolarHBondContact O-CB 3.16Å; S275-T279 PolarHBondContact O-N 3.08Å; S275-T279 PolarHBondContact O-OG1 3.42Å
276	F	39	Very low	37.6	Very low	109 Å²	109	82.2 Å²	82.2	48%	0.478	51%	0.511	S	S	.	.	H	α-helix	trans	-66.5	-41.2	179.8	-168.5	-108.2	0	0	0	112.2	S272 L280	S272-F276 WeakPolarHBondContact O-CB 3.44Å; S272-F276 PolarHBondContact O-N 3.48Å; F276-L280 HydrophobicContact CD1-CD1 3.46Å; F276-L280 VanDerWaalsContact CD1-CD1 3.46Å; F276-L280 HydrophobicContact CE1-CD1 3.31Å; F276-L280 HydrophobicContact CE2-CD1 4.47Å; F276-L280 HydrophobicContact CG-CD1 4.12Å; F276-L280 HydrophobicContact CZ-CD1 3.86Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.28Å; F276-L280 WeakPolarHBondContact O-CD1 3.41Å; F276-L280 VanDerWaalsContact O-CG 3.23Å; F276-L280 WeakPolarHBondContact O-CG 3.35Å; F276-L280 PolarHBondContact O-N 2.92Å
277	F	37.5	Very low	36.9	Very low	78 Å²	78	83.7 Å²	83.7	34%	0.342	52%	0.522	S	S	.	.	H	α-helix	trans	-77.5	-29	177	-72.6	-108.2	0	0	0	113	F273 S275 L280 V281	F273-F277 HydrophobicContact CB-CD2 4.29Å; F273-F277 AromaticContact CD1-CD2 3.58Å; F273-F277 HydrophobicContact CD1-CD2 3.58Å; F273-F277 AromaticContact CD1-CE2 3.11Å; F273-F277 HydrophobicContact CD1-CE2 3.11Å; F273-F277 AromaticContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CD1-CZ 3.78Å; F273-F277 HydrophobicContact CE1-CD2 4.27Å; F273-F277 AromaticContact CE1-CE2 3.35Å; F273-F277 HydrophobicContact CE1-CE2 3.35Å; F273-F277 AromaticContact CE1-CZ 3.67Å; F273-F277 HydrophobicContact CE1-CZ 3.67Å; F273-F277 HydrophobicContact CG-CD2 4.22Å; F273-F277 HydrophobicContact CG-CE2 4.01Å; F273-F277 HydrophobicContact CZ-CE2 4.38Å; F273-F277 WeakPolarHBondContact O-CA 3.4Å; F273-F277 WeakPolarHBondContact O-CB 3.2Å; F273-F277 WeakPolarHBondContact O-CD2 3.45Å; F273-F277 WeakPolarHBondContact O-CG 3.21Å; F273-F277 PolarHBondContact O-N 3.42Å; S275-F277 PolarHBondContact O-N 2.69Å; F277-L280 PolarHBondContact O-N 3Å; F277-V281 WeakPolarHBondContact O-CB 3.43Å; F277-V281 WeakPolarHBondContact O-CG2 3.18Å; F277-V281 PolarHBondContact O-N 3.04Å
278	T	35.4	Very low	36.8	Very low	69 Å²	69	83.6 Å²	83.6	42%	0.423	51%	0.505	S	S	.	.	H	α-helix	trans	-74	-35.9	172.6	-50.9	0	0	0	0	109.7	S274 S275 L280 V281 S282	S274-T278 WeakPolarHBondContact O-CA 3.3Å; S274-T278 WeakPolarHBondContact O-CB 3.44Å; S274-T278 PolarHBondContact O-N 3.08Å; S274-T278 PolarHBondContact O-OG1 2.84Å; S275-T278 PolarHBondContact O-N 3.23Å; T278-L280 VanDerWaalsContact C-N 3.32Å; T278-L280 PolarHBondContact O-N 3.32Å; T278-V281 PolarHBondContact O-N 2.72Å; T278-S282 WeakPolarHBondContact CG2-OG 3.18Å; T278-S282 WeakPolarHBondContact O-CA 3.17Å; T278-S282 WeakPolarHBondContact O-CB 2.89Å; T278-S282 PolarHBondContact O-N 3.32Å; T278-S282 PolarHBondContact O-OG 3.06Å; T278-S282 VanDerWaalsContact O-OG 3.08Å
279	T	38.8	Very low	37	Very low	52 Å²	52	83.6 Å²	83.6	32%	0.319	50%	0.497	S	S	.	.	H	α-helix	trans	-70.7	-25.6	171	-48.3	0	0	0	0	112.7	S275 I288	S275-T279 VanDerWaalsContact O-CB 3.27Å; S275-T279 WeakPolarHBondContact O-CB 3.16Å; S275-T279 PolarHBondContact O-N 3.08Å; S275-T279 PolarHBondContact O-OG1 3.42Å; T279-I288 HydrophobicContact CG2-CD1 4.11Å; T279-I288 HydrophobicContact CG2-CG1 3.76Å
280	L	35.7	Very low	37	Very low	54 Å²	54	78.2 Å²	78.2	28%	0.283	47%	0.474	S	S	.	.	H	α-helix	trans	-85	-26.9	173	-79.4	164.5	0	0	0	114.3	F276 F277 T278 I288	F276-L280 HydrophobicContact CD1-CD1 3.46Å; F276-L280 VanDerWaalsContact CD1-CD1 3.46Å; F276-L280 HydrophobicContact CE1-CD1 3.31Å; F276-L280 HydrophobicContact CE2-CD1 4.47Å; F276-L280 HydrophobicContact CG-CD1 4.12Å; F276-L280 HydrophobicContact CZ-CD1 3.86Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.28Å; F276-L280 WeakPolarHBondContact O-CD1 3.41Å; F276-L280 VanDerWaalsContact O-CG 3.23Å; F276-L280 WeakPolarHBondContact O-CG 3.35Å; F276-L280 PolarHBondContact O-N 2.92Å; F277-L280 PolarHBondContact O-N 3Å; T278-L280 VanDerWaalsContact C-N 3.32Å; T278-L280 PolarHBondContact O-N 3.32Å; L280-I288 HydrophobicContact CB-CD1 4.45Å; L280-I288 HydrophobicContact CD2-CD1 3.45Å; L280-I288 VanDerWaalsContact CD2-CD1 3.45Å; L280-I288 HydrophobicContact CG-CD1 3.67Å
281	V	40.4	Very low	37.1	Very low	119 Å²	119	72.8 Å²	72.8	72%	0.721	45%	0.446	S	S	*	.	H	α-helix	trans	-98.9	-32.6	-178.1	171.7	0	0	0	0	112	F277 T278	F277-V281 WeakPolarHBondContact O-CB 3.43Å; F277-V281 WeakPolarHBondContact O-CG2 3.18Å; F277-V281 PolarHBondContact O-N 3.04Å; T278-V281 PolarHBondContact O-N 2.72Å
282	S	33.9	Very low	37.9	Very low	56 Å²	56	73.9 Å²	73.9	39%	0.392	44%	0.442	S	S	.	.	S	Bend	trans	-82.1	114.3	166.3	-54.8	0	0	0	0	107	T278 D284	T278-S282 WeakPolarHBondContact CG2-OG 3.18Å; T278-S282 WeakPolarHBondContact O-CA 3.17Å; T278-S282 WeakPolarHBondContact O-CB 2.89Å; T278-S282 PolarHBondContact O-N 3.32Å; T278-S282 PolarHBondContact O-OG 3.06Å; T278-S282 VanDerWaalsContact O-OG 3.08Å; S282-D284 PolarHBondContact O-N 3.3Å
283	G	33.1	Very low	38.6	Very low	66 Å²	66	75.1 Å²	75.1	68%	0.68	45%	0.45	S	S	*	.			trans	-63.7	36.6	-177.7	0	0	0	0	0	116.1	V285	G283-V285 WeakPolarHBondContact O-CG2 3.29Å; G283-V285 PolarHBondContact O-N 3.16Å
284	D	27.9	Very low	40.3	Very low	125 Å²	125	69.5 Å²	69.5	67%	0.668	43%	0.425	S	S	*	.			trans	-78.6	67	166.2	-77.1	-22.7	0	0	0	109.4	S282 A286	S282-D284 PolarHBondContact O-N 3.3Å; D284-A286 PolarHBondContact O-N 3.43Å
285	V	36.7	Very low	42.1	Very low	117 Å²	117	66.3 Å²	66.3	71%	0.709	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	5.1	-179.9	172.5	0	0	0	0	113.6	G283	G283-V285 WeakPolarHBondContact O-CG2 3.29Å; G283-V285 PolarHBondContact O-N 3.16Å
286	A	33.9	Very low	44.1	Very low	103 Å²	103	63.4 Å²	63.4	85%	0.851	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-16.5	-176.7	0	0	0	0	0	114.9	D284	D284-A286 PolarHBondContact O-N 3.43Å
287	S	35.2	Very low	46.3	Very low	69 Å²	69	58.3 Å²	58.3	48%	0.483	36%	0.36	S	S	.	.	S	Bend	trans	-123.5	-12.5	-167	65.5	0	0	0	0	116.8	I289	S287-I289 PolarHBondContact O-N 3.37Å; S287-I289 VanDerWaalsContact O-N 3.11Å
288	I	36.4	Very low	48.6	Very low	63 Å²	63	54.6 Å²	54.6	32%	0.323	34%	0.344	S	S	.	.	S	Bend	trans	-76.9	107	166	-56.9	178.7	0	0	0	105.2	T279 L280 S290	T279-I288 HydrophobicContact CG2-CD1 4.11Å; T279-I288 HydrophobicContact CG2-CG1 3.76Å; L280-I288 HydrophobicContact CB-CD1 4.45Å; L280-I288 HydrophobicContact CD2-CD1 3.45Å; L280-I288 VanDerWaalsContact CD2-CD1 3.45Å; L280-I288 HydrophobicContact CG-CD1 3.67Å; I288-S290 PolarHBondContact O-N 3.08Å
289	I	44.1	Very low	51.1	Low	31 Å²	31	51.3 Å²	51.3	16%	0.159	32%	0.324	C	S	.	.			trans	-8.4	103.2	170.7	-57	158	0	0	0	108.9	F255 F259 S287 L291	F255-I289 HydrophobicContact CD2-CG2 3.49Å; F255-I289 VanDerWaalsContact CD2-CG2 3.49Å; F255-I289 HydrophobicContact CE2-CB 4.32Å; F255-I289 HydrophobicContact CE2-CG2 3.24Å; F255-I289 HydrophobicContact CZ-CG2 4.2Å; F259-I289 HydrophobicContact CB-CD1 3.97Å; F259-I289 HydrophobicContact CD2-CD1 3.61Å; F259-I289 HydrophobicContact CG-CD1 4.28Å; S287-I289 PolarHBondContact O-N 3.37Å; S287-I289 VanDerWaalsContact O-N 3.11Å; I289-L291 PolarHBondContact O-N 2.89Å
290	S	45.4	Very low	53.4	Low	49 Å²	49	48.9 Å²	48.9	34%	0.343	31%	0.308	S	S	.	.			trans	-49.1	100.7	169.5	-177.3	0	0	0	0	105.6	I288 R292 P293	I288-S290 PolarHBondContact O-N 3.08Å; S290-R292 PolarHBondContact O-N 3.11Å; S290-R292 WeakPolarHBondContact OG-CB 3.29Å; S290-P293 VanDerWaalsContact C-CD 3.49Å; S290-P293 WeakPolarHBondContact O-CD 3.3Å; S290-P293 WeakPolarHBondContact OG-CD 3.49Å
291	L	45.1	Very low	55.9	Low	41 Å²	41	46.3 Å²	46.3	22%	0.215	30%	0.295	C	S	.	.	S	Bend	trans	-62.5	-18.7	170.8	-78.8	151.9	0	0	0	109.4	F255 I289 C294 Y453 V457	F255-L291 HydrophobicContact CE2-CD2 3.66Å; F255-L291 HydrophobicContact CE2-CG 4.24Å; F255-L291 HydrophobicContact CZ-CD2 3.59Å; I289-L291 PolarHBondContact O-N 2.89Å; L291-C294 WeakPolarHBondContact O-CB 3.29Å; L291-C294 PolarHBondContact O-N 3.29Å; L291-Y453 HydrophobicContact CD2-CE2 4.32Å; L291-V457 HydrophobicContact CD2-CG2 3.63Å
292	R	53.7	Low	58.3	Low	76 Å²	76	41.1 Å²	41.1	29%	0.287	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-32.3	-170.1	-54.4	-160.9	-93.5	-174.2	-9.5	117.7	S290 C294 D295 Q746	S290-R292 PolarHBondContact O-N 3.11Å; S290-R292 WeakPolarHBondContact OG-CB 3.29Å; R292-C294 PolarHBondContact O-N 3.29Å; R292-D295 PolarHBondContact O-N 3.23Å; R292-Q746 HydrophobicContact CB-CG 4.21Å; R292-Q746 VanDerWaalsContact NE-OE1 3.17Å
293	P	52.2	Low	60.8	Low	38 Å²	38	38.8 Å²	38.8	25%	0.247	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-24.3	176.6	-3.6	18	0	0	0	110.9	R211 S290 S296	R211-P293 PolarHBondContact NE-O 3.14Å; S290-P293 VanDerWaalsContact C-CD 3.49Å; S290-P293 WeakPolarHBondContact O-CD 3.3Å; S290-P293 WeakPolarHBondContact OG-CD 3.49Å; P293-S296 PolarHBondContact O-OG 2.91Å
294	C	69.8	Low	63.3	Low	5 Å²	5	35.7 Å²	35.7	3%	0.034	21%	0.213	C	C	.	.	H	α-helix	trans	-82.6	-33.4	177	-64.6	0	0	0	0	112.2	L252 L291 R292 S296 L297 L298 Y453	L252-C294 HydrophobicContact CD2-CB 4.29Å; L291-C294 WeakPolarHBondContact O-CB 3.29Å; L291-C294 PolarHBondContact O-N 3.29Å; R292-C294 PolarHBondContact O-N 3.29Å; C294-S296 VanDerWaalsContact C-N 3.28Å; C294-S296 PolarHBondContact O-N 2.62Å; C294-L297 CarbonylContact O-C 3.58Å; C294-L297 WeakPolarHBondContact O-CA 3.27Å; C294-L297 WeakPolarHBondContact O-CB 3.49Å; C294-L297 PolarHBondContact O-N 3.41Å; C294-L298 HydrophobicContact CB-CD1 4.4Å; C294-L298 WeakPolarHBondContact O-CB 3.28Å; C294-L298 VanDerWaalsContact O-CG 3.3Å; C294-L298 WeakPolarHBondContact O-CG 3.35Å; C294-L298 PolarHBondContact O-N 2.89Å; C294-Y453 HydrophobicContact CB-CE2 3.82Å
295	D	74.6	Confident	66.1	Low	7 Å²	7	30 Å²	30	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-56.5	-40.5	-176.9	-65.1	-30.3	0	0	0	112.9	R292 L298 L299 S469 I739 I743	R292-D295 PolarHBondContact O-N 3.23Å; D295-L298 PolarHBondContact O-N 2.67Å; D295-L299 WeakPolarHBondContact O-CG 3.36Å; D295-L299 PolarHBondContact O-N 3.21Å; D295-S469 WeakPolarHBondContact OD1-CB 3.31Å; D295-S469 PolarHBondContact OD1-OG 3.16Å; D295-S469 PolarHBondContact OD2-OG 3.48Å; D295-I739 HydrophobicContact CB-CG2 4.26Å; D295-I743 HydrophobicContact CB-CD1 3.93Å; D295-I743 HydrophobicContact CB-CG1 4.12Å
296	S	77.6	Confident	68.4	Low	5 Å²	5	28.8 Å²	28.8	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-36.9	175.2	50.6	0	0	0	0	113.4	R211 P293 C294 C300	R211-S296 WeakPolarHBondContact CD-OG 3.18Å; R211-S296 VanDerWaalsContact CG-OG 3.25Å; R211-S296 WeakPolarHBondContact CG-OG 3.38Å; P293-S296 PolarHBondContact O-OG 2.91Å; C294-S296 VanDerWaalsContact C-N 3.28Å; C294-S296 PolarHBondContact O-N 2.62Å; S296-C300 PolarHBondContact O-N 3.1Å; S296-C300 VanDerWaalsContact O-N 3.17Å
297	L	84.5	Confident	70.6	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-71.5	-34.6	173.7	-63	173.9	0	0	0	111.6	V207 C210 R211 V248 A251 C294 C300 L301	V207-L297 HydrophobicContact CG1-CD1 4.32Å; C210-L297 HydrophobicContact CB-CD2 3.43Å; C210-L297 VanDerWaalsContact CB-CD2 3.43Å; R211-L297 HydrophobicContact CG-CD2 3.87Å; R211-L297 HydrophobicContact CG-CG 4.15Å; V248-L297 HydrophobicContact CG2-CB 4.43Å; A251-L297 HydrophobicContact CB-CD1 3.28Å; C294-L297 CarbonylContact O-C 3.58Å; C294-L297 WeakPolarHBondContact O-CA 3.27Å; C294-L297 WeakPolarHBondContact O-CB 3.49Å; C294-L297 PolarHBondContact O-N 3.41Å; L297-C300 WeakPolarHBondContact O-CB 3.47Å; L297-C300 PolarHBondContact O-N 3.02Å; L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 PolarHBondContact O-N 2.89Å
298	L	87.3	Confident	72.5	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-34.5	175.1	-69.8	170.4	0	0	0	111.4	C294 D295 C300 L301 Y302 L450 Y453 L472 I476	C294-L298 HydrophobicContact CB-CD1 4.4Å; C294-L298 WeakPolarHBondContact O-CB 3.28Å; C294-L298 VanDerWaalsContact O-CG 3.3Å; C294-L298 WeakPolarHBondContact O-CG 3.35Å; C294-L298 PolarHBondContact O-N 2.89Å; D295-L298 PolarHBondContact O-N 2.67Å; L298-C300 VanDerWaalsContact C-N 3.35Å; L298-L301 HydrophobicContact CD2-CD2 4.25Å; L298-L301 WeakPolarHBondContact O-CB 3.1Å; L298-L301 PolarHBondContact O-N 3.3Å; L298-Y302 VanDerWaalsContact O-CB 3.28Å; L298-Y302 WeakPolarHBondContact O-CB 3.49Å; L298-Y302 PolarHBondContact O-N 3.42Å; L298-L450 HydrophobicContact CD2-CD1 3.95Å; L298-Y453 HydrophobicContact CD1-CD1 4.4Å; L298-Y453 HydrophobicContact CD1-CE1 3.43Å; L298-Y453 VanDerWaalsContact CD1-CE1 3.43Å; L298-Y453 HydrophobicContact CD2-CE1 4.42Å; L298-Y453 HydrophobicContact CG-CE1 4.47Å; L298-L472 HydrophobicContact CB-CD2 3.62Å; L298-L472 HydrophobicContact CB-CG 4.26Å; L298-I476 HydrophobicContact CB-CD1 4Å; L298-I476 HydrophobicContact CD2-CD1 3.87Å; L298-I476 HydrophobicContact CG-CD1 4.49Å
299	L	87.5	Confident	74.3	Confident	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-64	-42.1	170.4	-74.7	174.2	0	0	0	111.4	Q218 D295 L301 Y302 E303 L472 F736 I739 I740 I743	Q218-L299 HydrophobicContact CG-CB 4.43Å; Q218-L299 HydrophobicContact CG-CD1 4.2Å; Q218-L299 HydrophobicContact CG-CD2 4.44Å; D295-L299 WeakPolarHBondContact O-CG 3.36Å; D295-L299 PolarHBondContact O-N 3.21Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-Y302 PolarHBondContact O-N 3.08Å; L299-E303 WeakPolarHBondContact O-CG 3.49Å; L299-E303 PolarHBondContact O-N 2.96Å; L299-L472 HydrophobicContact CD2-CD1 4.1Å; L299-L472 HydrophobicContact CD2-CD2 3.95Å; L299-L472 HydrophobicContact CG-CD2 4.05Å; L299-F736 HydrophobicContact CD2-CD1 3.73Å; L299-F736 HydrophobicContact CD2-CE1 3.75Å; L299-I739 HydrophobicContact CD1-CG2 3.8Å; L299-I739 HydrophobicContact CD2-CG2 4.41Å; L299-I739 HydrophobicContact CG-CG2 4.21Å; L299-I740 HydrophobicContact CD1-CD1 3.53Å; L299-I740 HydrophobicContact CD1-CG1 4.44Å; L299-I743 HydrophobicContact CD1-CD1 3.37Å; L299-I743 HydrophobicContact CG-CD1 4.35Å
300	C	87.2	Confident	75.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-46.9	172	-174.1	0	0	0	0	110.6	S296 L297 L298 Y302 E303 L304	S296-C300 PolarHBondContact O-N 3.1Å; S296-C300 VanDerWaalsContact O-N 3.17Å; L297-C300 WeakPolarHBondContact O-CB 3.47Å; L297-C300 PolarHBondContact O-N 3.02Å; L298-C300 VanDerWaalsContact C-N 3.35Å; C300-Y302 PolarHBondContact O-N 3.39Å; C300-E303 PolarHBondContact O-N 2.85Å; C300-L304 WeakPolarHBondContact O-CB 3.46Å; C300-L304 WeakPolarHBondContact O-CD1 3.48Å; C300-L304 VanDerWaalsContact O-CG 3.31Å; C300-L304 WeakPolarHBondContact O-CG 3.29Å; C300-L304 PolarHBondContact O-N 3.36Å
301	L	88.4	Confident	77.4	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-42.5	178.1	-169.4	72.9	0	0	0	112.4	L245 L297 L298 L299 L304 A305 F311 L315 L450 I476	L245-L301 HydrophobicContact CD2-CD1 4.41Å; L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 PolarHBondContact O-N 2.89Å; L298-L301 HydrophobicContact CD2-CD2 4.25Å; L298-L301 WeakPolarHBondContact O-CB 3.1Å; L298-L301 PolarHBondContact O-N 3.3Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L301-L304 PolarHBondContact O-N 2.94Å; L301-A305 VanDerWaalsContact O-CB 3.24Å; L301-A305 WeakPolarHBondContact O-CB 3.35Å; L301-A305 PolarHBondContact O-N 3.32Å; L301-F311 HydrophobicContact CD1-CE1 3.62Å; L301-F311 HydrophobicContact CD1-CZ 3.77Å; L301-L315 HydrophobicContact CD1-CD1 4.17Å; L301-L315 HydrophobicContact CD1-CD2 4.24Å; L301-L450 HydrophobicContact CD2-CD1 4Å; L301-L450 HydrophobicContact CD2-CD2 4.01Å; L301-I476 HydrophobicContact CD2-CD1 4.36Å; L301-I476 HydrophobicContact CD2-CG2 4.11Å
302	Y	89.7	Confident	78.7	Confident	10 Å²	10	21.9 Å²	21.9	4%	0.039	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-52	176.4	158	-111.3	0	0	0	111.1	L298 L299 C300 L304 A305 R306 L472 I475 F726 F736	L298-Y302 VanDerWaalsContact O-CB 3.28Å; L298-Y302 WeakPolarHBondContact O-CB 3.49Å; L298-Y302 PolarHBondContact O-N 3.42Å; L299-Y302 PolarHBondContact O-N 3.08Å; C300-Y302 PolarHBondContact O-N 3.39Å; Y302-L304 VanDerWaalsContact C-N 3.3Å; Y302-L304 PolarHBondContact O-N 3.46Å; Y302-A305 PolarHBondContact O-N 2.8Å; Y302-R306 HydrophobicContact CE2-CB 4.36Å; Y302-R306 VanDerWaalsContact O-CB 3.25Å; Y302-R306 WeakPolarHBondContact O-CB 3.39Å; Y302-R306 PolarHBondContact O-N 2.93Å; Y302-R306 WeakPolarHBondContact OH-CD 3.19Å; Y302-L472 HydrophobicContact CG-CD1 4.19Å; Y302-I475 HydrophobicContact CD2-CG2 3.62Å; Y302-I475 HydrophobicContact CE2-CG2 3.45Å; Y302-I475 VanDerWaalsContact CE2-CG2 3.45Å; Y302-F726 HydrophobicContact CE2-CD1 4.5Å; Y302-F726 HydrophobicContact CE2-CE1 4.22Å; Y302-F736 AromaticContact CD1-CE1 3.77Å; Y302-F736 HydrophobicContact CD1-CE1 3.77Å; Y302-F736 AromaticContact CD1-CZ 3.96Å; Y302-F736 HydrophobicContact CD1-CZ 3.96Å; Y302-F736 AromaticContact CE1-CE1 3.55Å; Y302-F736 HydrophobicContact CE1-CE1 3.55Å; Y302-F736 HydrophobicContact CE1-CE2 4.4Å; Y302-F736 AromaticContact CE1-CZ 3.39Å; Y302-F736 HydrophobicContact CE1-CZ 3.39Å; Y302-F736 HydrophobicContact CE2-CZ 4.14Å; Y302-F736 AromaticContact CZ-CZ 3.51Å
303	E	86	Confident	79.7	Confident	7 Å²	7	19.6 Å²	19.6	3%	0.033	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-38.4	-178.6	-72.4	-62.8	163.1	0	0	112.2	L217 Q218 L299 C300 R306 S307	L217-E303 HydrophobicContact CB-CB 4.32Å; L217-E303 HydrophobicContact CB-CG 3.98Å; L217-E303 HydrophobicContact CD1-CB 3.93Å; L217-E303 HydrophobicContact CD1-CG 4.45Å; Q218-E303 PolarHBondContact NE2-OE1 3.44Å; L299-E303 WeakPolarHBondContact O-CG 3.49Å; L299-E303 PolarHBondContact O-N 2.96Å; C300-E303 PolarHBondContact O-N 2.85Å; E303-R306 IonicContact OE2-CZ 3.97Å; E303-R306 IonicContact OE2-NE 2.84Å; E303-R306 PolarHBondContact OE2-NE 3.22Å; E303-R306 IonicContact OE2-NH2 3.82Å; E303-R306 PolarHBondContact OE2-NH2 3.44Å; E303-S307 WeakPolarHBondContact O-CB 3.39Å; E303-S307 PolarHBondContact O-N 3.39Å; E303-S307 PolarHBondContact O-OG 2.86Å
304	L	86.8	Confident	81	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-67.6	-45.7	176.3	-74.7	162	0	0	0	112.1	I232 L241 I244 C300 L301 Y302 R306 S307 S308 F311	I232-L304 HydrophobicContact CD1-CD2 4.06Å; I232-L304 HydrophobicContact CG1-CD2 4.48Å; I232-L304 HydrophobicContact CG2-CD2 3.47Å; I232-L304 VanDerWaalsContact CG2-CD2 3.47Å; I232-L304 HydrophobicContact CG2-CG 4.4Å; L241-L304 HydrophobicContact CD2-CD2 4.16Å; I244-L304 HydrophobicContact CB-CD1 4.47Å; I244-L304 HydrophobicContact CD1-CD1 4.2Å; I244-L304 HydrophobicContact CD1-CD2 4.46Å; I244-L304 HydrophobicContact CG2-CD1 3.53Å; C300-L304 WeakPolarHBondContact O-CB 3.46Å; C300-L304 WeakPolarHBondContact O-CD1 3.48Å; C300-L304 VanDerWaalsContact O-CG 3.31Å; C300-L304 WeakPolarHBondContact O-CG 3.29Å; C300-L304 PolarHBondContact O-N 3.36Å; L301-L304 PolarHBondContact O-N 2.94Å; Y302-L304 VanDerWaalsContact C-N 3.3Å; Y302-L304 PolarHBondContact O-N 3.46Å; L304-R306 VanDerWaalsContact C-N 3.3Å; L304-R306 PolarHBondContact O-N 2.98Å; L304-S307 PolarHBondContact O-N 3.18Å; L304-S308 PolarHBondContact O-N 2.93Å; L304-F311 HydrophobicContact CB-CD1 3.47Å; L304-F311 VanDerWaalsContact CB-CD1 3.47Å; L304-F311 HydrophobicContact CB-CD2 3.99Å; L304-F311 HydrophobicContact CB-CE1 3.4Å; L304-F311 VanDerWaalsContact CB-CE1 3.4Å; L304-F311 HydrophobicContact CB-CE2 3.92Å; L304-F311 HydrophobicContact CB-CG 3.74Å; L304-F311 HydrophobicContact CB-CZ 3.61Å; L304-F311 HydrophobicContact CD1-CD2 4.39Å; L304-F311 HydrophobicContact CD1-CE1 4.31Å; L304-F311 HydrophobicContact CD1-CE2 3.71Å; L304-F311 HydrophobicContact CD1-CZ 3.63Å; L304-F311 HydrophobicContact CD2-CD2 4.17Å; L304-F311 HydrophobicContact CD2-CE2 4.27Å; L304-F311 HydrophobicContact CG-CD2 4.44Å; L304-F311 HydrophobicContact CG-CE1 4.44Å; L304-F311 HydrophobicContact CG-CE2 4.2Å; L304-F311 HydrophobicContact CG-CZ 4.18Å
305	A	86	Confident	81.2	Confident	5 Å²	5	18.2 Å²	18.2	4%	0.041	9%	0.085	C	C	.	.	H	α-helix	trans	-65.3	-33.9	177.9	0	0	0	0	0	112.4	L301 Y302 C479	L301-A305 VanDerWaalsContact O-CB 3.24Å; L301-A305 WeakPolarHBondContact O-CB 3.35Å; L301-A305 PolarHBondContact O-N 3.32Å; Y302-A305 PolarHBondContact O-N 2.8Å; A305-C479 HydrophobicContact CB-CB 4.24Å
306	R	85.1	Confident	81	Confident	92 Å²	92	17.9 Å²	17.9	35%	0.347	8%	0.084	S	C	.	.	H	α-helix	trans	-74.1	-42.2	176.4	-173.3	-174.9	67.9	75	-0.3	112.2	Y302 E303 L304	Y302-R306 HydrophobicContact CE2-CB 4.36Å; Y302-R306 VanDerWaalsContact O-CB 3.25Å; Y302-R306 WeakPolarHBondContact O-CB 3.39Å; Y302-R306 PolarHBondContact O-N 2.93Å; Y302-R306 WeakPolarHBondContact OH-CD 3.19Å; E303-R306 IonicContact OE2-CZ 3.97Å; E303-R306 IonicContact OE2-NE 2.84Å; E303-R306 PolarHBondContact OE2-NE 3.22Å; E303-R306 IonicContact OE2-NH2 3.82Å; E303-R306 PolarHBondContact OE2-NH2 3.44Å; L304-R306 VanDerWaalsContact C-N 3.3Å; L304-R306 PolarHBondContact O-N 2.98Å
307	S	79	Confident	80.6	Confident	13 Å²	13	24.2 Å²	24.2	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-89.9	-35.4	-168.7	-52.5	0	0	0	0	113.4	E303 L304	E303-S307 WeakPolarHBondContact O-CB 3.39Å; E303-S307 PolarHBondContact O-N 3.39Å; E303-S307 PolarHBondContact O-OG 2.86Å; L304-S307 PolarHBondContact O-N 3.18Å
308	S	75.8	Confident	79.4	Confident	6 Å²	6	24.7 Å²	24.7	4%	0.042	11%	0.111	C	C	.	.			trans	-114.3	108.6	-177.7	177	0	0	0	0	110.7	L304 H310 F311 A312	L304-S308 PolarHBondContact O-N 2.93Å; S308-H310 PolarHBondContact O-N 3.41Å; S308-H310 PolarHBondContact OG-N 3.22Å; S308-F311 WeakPolarHBondContact O-CB 3.48Å; S308-F311 PolarHBondContact O-N 2.83Å; S308-F311 VanDerWaalsContact O-N 3.08Å; S308-F311 PolarHBondContact OG-N 3.21Å; S308-F311 VanDerWaalsContact OG-N 3.11Å; S308-A312 PolarHBondContact O-N 2.86Å
309	H	75.3	Confident	77.7	Confident	135 Å²	135	30.8 Å²	30.8	63%	0.625	14%	0.144	S	C	*	.	H	α-helix	trans	-54.7	-36.8	171	-72.2	-68.7	0	0	0	111.5	A312 I313 N483	H309-A312 PolarHBondContact O-N 3Å; H309-I313 WeakPolarHBondContact O-CD1 3.39Å; H309-I313 VanDerWaalsContact O-CG1 3.28Å; H309-I313 WeakPolarHBondContact O-CG1 3.43Å; H309-I313 PolarHBondContact O-N 2.71Å; H309-N483 WeakPolarHBondContact CA-ND2 3.36Å; H309-N483 PolarHBondContact ND1-ND2 2.93Å; H309-N483 PolarHBondContact O-ND2 3.41Å; H309-N483 VanDerWaalsContact O-ND2 3.14Å
310	H	77.2	Confident	75.5	Confident	56 Å²	56	32.2 Å²	32.2	26%	0.259	16%	0.159	S	C	.	.	H	α-helix	trans	-65.8	-40.1	178.5	-170.4	80.1	0	0	0	111.8	E238 S308 A312 I313 L314	E238-H310 VanDerWaalsContact CG-NE2 3.31Å; E238-H310 WeakPolarHBondContact CG-NE2 3.34Å; E238-H310 IonicContact OE1-CE1 3.95Å; E238-H310 PolarHBondContact OE1-CE1 3.36Å; E238-H310 IonicContact OE1-NE2 3.74Å; S308-H310 PolarHBondContact O-N 3.41Å; S308-H310 PolarHBondContact OG-N 3.22Å; H310-A312 PolarHBondContact O-N 3.02Å; H310-I313 WeakPolarHBondContact O-CB 3.45Å; H310-I313 PolarHBondContact O-N 3.48Å; H310-I313 VanDerWaalsContact O-N 3.16Å; H310-L314 WeakPolarHBondContact NE2-CD1 3.35Å; H310-L314 PolarHBondContact O-N 3.35Å
311	F	76.4	Confident	73.6	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-42.7	174.8	-174.2	-91.6	0	0	0	112.8	L241 I244 L245 L301 L304 S308 I313 L314 L315	L241-F311 HydrophobicContact CB-CD2 4.08Å; L241-F311 HydrophobicContact CD2-CD2 3.78Å; L241-F311 HydrophobicContact CG-CD2 4.39Å; I244-F311 HydrophobicContact CG2-CE2 4.38Å; L245-F311 HydrophobicContact CD1-CD2 4.42Å; L245-F311 HydrophobicContact CD1-CE2 4.16Å; L245-F311 HydrophobicContact CD2-CD2 4.29Å; L245-F311 HydrophobicContact CD2-CE1 3.77Å; L245-F311 HydrophobicContact CD2-CE2 3.5Å; L245-F311 HydrophobicContact CD2-CZ 3.2Å; L245-F311 HydrophobicContact CG-CD2 4.25Å; L245-F311 HydrophobicContact CG-CE2 3.52Å; L245-F311 HydrophobicContact CG-CZ 3.78Å; L301-F311 HydrophobicContact CD1-CE1 3.62Å; L301-F311 HydrophobicContact CD1-CZ 3.77Å; L304-F311 HydrophobicContact CB-CD1 3.47Å; L304-F311 VanDerWaalsContact CB-CD1 3.47Å; L304-F311 HydrophobicContact CB-CD2 3.99Å; L304-F311 HydrophobicContact CB-CE1 3.4Å; L304-F311 VanDerWaalsContact CB-CE1 3.4Å; L304-F311 HydrophobicContact CB-CE2 3.92Å; L304-F311 HydrophobicContact CB-CG 3.74Å; L304-F311 HydrophobicContact CB-CZ 3.61Å; L304-F311 HydrophobicContact CD1-CD2 4.39Å; L304-F311 HydrophobicContact CD1-CE1 4.31Å; L304-F311 HydrophobicContact CD1-CE2 3.71Å; L304-F311 HydrophobicContact CD1-CZ 3.63Å; L304-F311 HydrophobicContact CD2-CD2 4.17Å; L304-F311 HydrophobicContact CD2-CE2 4.27Å; L304-F311 HydrophobicContact CG-CD2 4.44Å; L304-F311 HydrophobicContact CG-CE1 4.44Å; L304-F311 HydrophobicContact CG-CE2 4.2Å; L304-F311 HydrophobicContact CG-CZ 4.18Å; S308-F311 WeakPolarHBondContact O-CB 3.48Å; S308-F311 PolarHBondContact O-N 2.83Å; S308-F311 VanDerWaalsContact O-N 3.08Å; S308-F311 PolarHBondContact OG-N 3.21Å; S308-F311 VanDerWaalsContact OG-N 3.11Å; F311-I313 PolarHBondContact O-N 2.92Å; F311-L314 PolarHBondContact O-N 2.86Å; F311-L315 WeakPolarHBondContact O-CB 3.42Å; F311-L315 PolarHBondContact O-N 2.87Å
312	A	73.3	Confident	71.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-33.4	175.6	0	0	0	0	0	112.3	S308 H309 H310 S316 N483	S308-A312 PolarHBondContact O-N 2.86Å; H309-A312 PolarHBondContact O-N 3Å; H310-A312 PolarHBondContact O-N 3.02Å; A312-S316 PolarHBondContact O-N 3.47Å; A312-S316 PolarHBondContact O-OG 2.82Å; A312-N483 HydrophobicContact CB-CB 4.4Å
313	I	75.1	Confident	68.7	Low	28 Å²	28	40.8 Å²	40.8	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-68.9	-50.2	173.6	-63.6	163.7	0	0	0	110.5	H309 H310 F311 L315 S316 Y317 L485 L489	H309-I313 WeakPolarHBondContact O-CD1 3.39Å; H309-I313 VanDerWaalsContact O-CG1 3.28Å; H309-I313 WeakPolarHBondContact O-CG1 3.43Å; H309-I313 PolarHBondContact O-N 2.71Å; H310-I313 WeakPolarHBondContact O-CB 3.45Å; H310-I313 PolarHBondContact O-N 3.48Å; H310-I313 VanDerWaalsContact O-N 3.16Å; F311-I313 PolarHBondContact O-N 2.92Å; I313-L315 VanDerWaalsContact C-N 3.31Å; I313-L315 PolarHBondContact O-N 2.94Å; I313-S316 CarbonylContact O-C 3.54Å; I313-S316 WeakPolarHBondContact O-CA 3.5Å; I313-S316 VanDerWaalsContact O-CB 3.32Å; I313-S316 WeakPolarHBondContact O-CB 3.24Å; I313-S316 PolarHBondContact O-N 3.32Å; I313-Y317 HydrophobicContact CG2-CD2 3.83Å; I313-Y317 HydrophobicContact CG2-CE2 3.78Å; I313-Y317 WeakPolarHBondContact O-CD2 3.43Å; I313-Y317 PolarHBondContact O-N 2.84Å; I313-L485 HydrophobicContact CD1-CB 3.5Å; I313-L485 HydrophobicContact CD1-CD1 3.46Å; I313-L485 VanDerWaalsContact CD1-CD1 3.46Å; I313-L485 HydrophobicContact CD1-CG 4.12Å; I313-L485 HydrophobicContact CG1-CB 3.58Å; I313-L485 HydrophobicContact CG1-CD1 4.48Å; I313-L489 HydrophobicContact CG2-CD1 3.89Å
314	L	78	Confident	66.2	Low	14 Å²	14	43.7 Å²	43.7	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-40.1	178.6	-73.4	173.6	0	0	0	112.6	L241 L245 H310 F311 S316 Y317 S318	L241-L314 HydrophobicContact CB-CD1 3.59Å; L241-L314 HydrophobicContact CD1-CD1 3.96Å; L241-L314 HydrophobicContact CG-CD1 4.45Å; L245-L314 HydrophobicContact CD1-CB 3.54Å; H310-L314 WeakPolarHBondContact NE2-CD1 3.35Å; H310-L314 PolarHBondContact O-N 3.35Å; F311-L314 PolarHBondContact O-N 2.86Å; L314-S316 PolarHBondContact O-N 3.17Å; L314-Y317 WeakPolarHBondContact O-CB 3.35Å; L314-Y317 PolarHBondContact O-N 3.3Å; L314-S318 PolarHBondContact O-N 2.85Å; L314-S318 VanDerWaalsContact O-N 3.08Å
315	L	75.1	Confident	63.6	Low	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-39.3	173.6	-179	61.6	0	0	0	111.2	L245 L301 F311 I313 S318 L446 I480	L245-L315 HydrophobicContact CD2-CB 3.99Å; L245-L315 HydrophobicContact CD2-CD1 3.68Å; L245-L315 HydrophobicContact CD2-CG 4.42Å; L301-L315 HydrophobicContact CD1-CD1 4.17Å; L301-L315 HydrophobicContact CD1-CD2 4.24Å; F311-L315 WeakPolarHBondContact O-CB 3.42Å; F311-L315 PolarHBondContact O-N 2.87Å; I313-L315 VanDerWaalsContact C-N 3.31Å; I313-L315 PolarHBondContact O-N 2.94Å; L315-S318 WeakPolarHBondContact O-CB 3.44Å; L315-S318 PolarHBondContact O-N 3.46Å; L315-S318 PolarHBondContact O-OG 3.47Å; L315-L446 HydrophobicContact CD1-CD2 3.3Å; L315-L446 HydrophobicContact CD1-CG 3.64Å; L315-I480 HydrophobicContact CD2-CD1 3.51Å; L315-I480 HydrophobicContact CD2-CG1 3.91Å
316	S	70.4	Confident	61.2	Low	1 Å²	1	53.4 Å²	53.4	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-74.4	-23.4	178	-52.9	0	0	0	0	113.3	A312 I313 L314 A486	A312-S316 PolarHBondContact O-N 3.47Å; A312-S316 PolarHBondContact O-OG 2.82Å; I313-S316 CarbonylContact O-C 3.54Å; I313-S316 WeakPolarHBondContact O-CA 3.5Å; I313-S316 VanDerWaalsContact O-CB 3.32Å; I313-S316 WeakPolarHBondContact O-CB 3.24Å; I313-S316 PolarHBondContact O-N 3.32Å; L314-S316 PolarHBondContact O-N 3.17Å; S316-A486 WeakPolarHBondContact OG-CB 3.44Å
317	Y	69.6	Low	58.7	Low	137 Å²	137	60.7 Å²	60.7	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-78.2	-29.2	173.7	-96.9	-78.7	0	0	0	114	I313 L314 N319 L489	I313-Y317 HydrophobicContact CG2-CD2 3.83Å; I313-Y317 HydrophobicContact CG2-CE2 3.78Å; I313-Y317 WeakPolarHBondContact O-CD2 3.43Å; I313-Y317 PolarHBondContact O-N 2.84Å; L314-Y317 WeakPolarHBondContact O-CB 3.35Å; L314-Y317 PolarHBondContact O-N 3.3Å; Y317-N319 PolarHBondContact O-N 2.92Å; Y317-L489 HydrophobicContact CD2-CD1 3.47Å; Y317-L489 VanDerWaalsContact CD2-CD1 3.47Å; Y317-L489 HydrophobicContact CD2-CD2 4.34Å; Y317-L489 HydrophobicContact CE1-CD2 4.22Å; Y317-L489 HydrophobicContact CE2-CD1 3.54Å; Y317-L489 HydrophobicContact CE2-CD2 3.92Å; Y317-L489 HydrophobicContact CE2-CG 4.36Å; Y317-L489 HydrophobicContact CG-CD1 4.2Å
318	S	59	Low	56.2	Low	12 Å²	12	67.2 Å²	67.2	8%	0.084	33%	0.332	C	S	.	.			trans	-11.8	102	-161.1	34.4	0	0	0	0	117.6	L314 L315 N445 L447	L314-S318 PolarHBondContact O-N 2.85Å; L314-S318 VanDerWaalsContact O-N 3.08Å; L315-S318 WeakPolarHBondContact O-CB 3.44Å; L315-S318 PolarHBondContact O-N 3.46Å; L315-S318 PolarHBondContact O-OG 3.47Å; S318-N445 PolarHBondContact O-ND2 2.99Å; S318-N445 VanDerWaalsContact OG-CG 3.26Å; S318-N445 PolarHBondContact OG-ND2 2.84Å; S318-N445 VanDerWaalsContact OG-ND2 3.1Å; S318-N445 PolarHBondContact OG-OD1 3.16Å; S318-L447 PolarHBondContact OG-N 3.48Å; S318-L447 VanDerWaalsContact OG-N 3.16Å
319	N	50.1	Low	54	Low	128 Å²	128	74.9 Å²	74.9	68%	0.684	37%	0.371	S	S	*	.			trans	-67	150.4	171.8	-74	-39.7	0	0	0	111.3	Y317	Y317-N319 PolarHBondContact O-N 2.92Å
320	G	42	Very low	51.6	Low	31 Å²	31	77.7 Å²	77.7	32%	0.32	39%	0.385	S	S	.	.			trans	-64.2	136.9	-174.6	0	0	0	0	0	115	R444	G320-R444 CarbonylContact C-O 3.49Å; G320-R444 WeakPolarHBondContact CA-O 3.25Å
321	H	46.8	Very low	49.2	Very low	57 Å²	57	79.9 Å²	79.9	26%	0.264	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-105.6	134	159.2	-65.1	-59.6	0	0	0	109.7	S246 R444	S246-H321 VanDerWaalsContact CA-NE2 3.34Å; S246-H321 WeakPolarHBondContact CA-NE2 3.38Å; S246-H321 WeakPolarHBondContact CB-CE1 3.49Å; S246-H321 WeakPolarHBondContact CB-NE2 3.46Å; H321-R444 PolarHBondContact N-O 3.03Å; H321-R444 PolarHBondContact O-N 2.96Å
322	Y	38	Very low	46.7	Very low	116 Å²	116	87.3 Å²	87.3	46%	0.455	44%	0.444	S	S	.	.			trans	-81.7	132.8	-176.8	-58.4	-99.4	0	0	0	110.9	S351 L441	Y322-S351 VanDerWaalsContact CB-CB 3.44Å; Y322-L441 HydrophobicContact CD1-CB 3.87Å; Y322-L441 HydrophobicContact CD1-CD2 4.03Å; Y322-L441 HydrophobicContact CG-CD2 4.31Å
323	T	37.3	Very low	44.4	Very low	18 Å²	18	95.4 Å²	95.4	11%	0.11	49%	0.486	C	S	.	.			trans	-115.8	126.6	167.9	66.8	0	0	0	0	108.7
324	N	34.4	Very low	42	Very low	68 Å²	68	99.6 Å²	99.6	36%	0.364	51%	0.513	S	S	.	.			trans	-92.4	104.7	179.1	-142.7	-4.2	0	0	0	108.6	I347 L441	N324-I347 HydrophobicContact CB-CG1 4.27Å; N324-L441 HydrophobicContact CB-CD2 4.1Å; N324-L441 VanDerWaalsContact OD1-CD1 3.28Å; N324-L441 WeakPolarHBondContact OD1-CD1 3.3Å
325	N	32.2	Very low	39.6	Very low	119 Å²	119	103.9 Å²	103.9	64%	0.636	54%	0.541	S	S	*	.			trans	-95.2	90.3	172.7	-89.8	-20.5	0	0	0	108.9
326	S	34.8	Very low	37.1	Very low	91 Å²	91	110.6 Å²	110.6	64%	0.636	58%	0.577	S	S	*	*			trans	-112.8	106.7	168	56	0	0	0	0	110.7	D328	S326-D328 VanDerWaalsContact C-N 3.29Å; S326-D328 PolarHBondContact O-N 3.18Å
327	R	32.4	Very low	35.2	Very low	244 Å²	244	116.4 Å²	116.4	92%	0.921	62%	0.615	S	S	*	*			trans	-70.4	93.9	148.3	-77.7	179.7	174	160.8	-0.8	105.9
328	D	27	Very low	33.3	Very low	150 Å²	150	115.4 Å²	115.4	80%	0.802	62%	0.618	S	S	*	*			trans	-177.5	92.1	154.1	-87	-23.6	0	0	0	108.1	S326	S326-D328 VanDerWaalsContact C-N 3.29Å; S326-D328 PolarHBondContact O-N 3.18Å
329	L	29.5	Very low	32.1	Very low	167 Å²	167	121.8 Å²	121.8	87%	0.874	64%	0.644	S	S	*	*			trans	-146.2	64.9	160	-153	82	0	0	0	109.4	S331	L329-S331 PolarHBondContact O-N 3.26Å
330	E	25.2	Very low	31.3	Very low	195 Å²	195	121.5 Å²	121.5	91%	0.911	64%	0.643	S	S	*	*			trans	-81.9	101.3	156.8	-81.2	-166.9	163.9	0	0	108.8
331	S	26	Very low	30.9	Very low	102 Å²	102	128.1 Å²	128.1	71%	0.713	66%	0.659	S	S	*	*			trans	144.1	90.5	145.4	59.7	0	0	0	0	111.1	L329	L329-S331 PolarHBondContact O-N 3.26Å
332	I	25.8	Very low	30.3	Very low	155 Å²	155	134.5 Å²	134.5	80%	0.795	68%	0.681	S	S	*	*			trans	-159.5	113.7	134.1	-87.2	139	0	0	0	105.4	V334	I332-V334 HydrophobicContact CG2-CG2 4.03Å; I332-V334 PolarHBondContact O-N 2.88Å
333	I	24.3	Very low	30.2	Very low	170 Å²	170	134.8 Å²	134.8	87%	0.872	69%	0.689	S	S	*	*			trans	-74.2	110.6	171.3	-63.7	167.1	0	0	0	107.1
334	V	25.6	Very low	30	Very low	116 Å²	116	135.9 Å²	135.9	70%	0.703	69%	0.694	S	S	*	*			trans	-143.7	128	152.3	-175.5	0	0	0	0	108	I332	I332-V334 HydrophobicContact CG2-CG2 4.03Å; I332-V334 PolarHBondContact O-N 2.88Å
335	P	25.7	Very low	30	Very low	104 Å²	104	138.9 Å²	138.9	68%	0.675	70%	0.704	S	S	*	*			trans	-81.5	121	177.7	32.2	-28.2	0	0	0	109.3
336	D	24.3	Very low	30.1	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	70%	0.704	S	S	*	*			trans	-175.2	146.8	140.2	-94.4	-24.2	0	0	0	112	I338	D336-I338 PolarHBondContact O-N 3.49Å
337	P	28.7	Very low	30	Very low	124 Å²	124	133.7 Å²	133.7	81%	0.805	68%	0.679	S	S	*	*			trans	-92.2	89.6	-172.4	35.3	-28.2	0	0	0	110.1
338	I	30.5	Very low	30.2	Very low	115 Å²	115	123.4 Å²	123.4	59%	0.59	65%	0.645	S	S	*	*			trans	-136.5	104.8	179.8	-56.8	178.8	0	0	0	111.5	D336	D336-I338 PolarHBondContact O-N 3.49Å
339	F	32.9	Very low	30.4	Very low	147 Å²	147	121.2 Å²	121.2	65%	0.645	64%	0.637	S	S	*	*			trans	48.8	123.4	147.9	-85.4	-92.8	0	0	0	120.5	Y341	F339-Y341 HydrophobicContact CB-CD2 4.31Å; F339-Y341 HydrophobicContact CD1-CD2 4.34Å; F339-Y341 HydrophobicContact CD1-CE2 4.22Å; F339-Y341 PolarHBondContact O-N 2.79Å
340	D	33.9	Very low	30.4	Very low	122 Å²	122	121 Å²	121	65%	0.652	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	14	178.1	-89.5	-37.8	0	0	0	118.7
341	Y	33.3	Very low	30.7	Very low	170 Å²	170	112.9 Å²	112.9	67%	0.667	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-10.3	-177.8	-76.7	-79.8	0	0	0	115	F339	F339-Y341 HydrophobicContact CB-CD2 4.31Å; F339-Y341 HydrophobicContact CD1-CD2 4.34Å; F339-Y341 HydrophobicContact CD1-CE2 4.22Å; F339-Y341 PolarHBondContact O-N 2.79Å
342	R	34.5	Very low	31	Very low	191 Å²	191	111.5 Å²	111.5	72%	0.721	58%	0.579	S	S	*	*	S	Bend	trans	-80.5	-26.5	-173	-70.9	-169.9	-166.6	176.7	5.7	115.1	L344 K345	R342-L344 PolarHBondContact O-N 2.81Å; R342-K345 PolarHBondContact O-N 3.08Å; R342-K345 VanDerWaalsContact O-N 3.08Å
343	I	36.2	Very low	31.2	Very low	121 Å²	121	108.4 Å²	108.4	62%	0.621	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-64.8	-31.3	-174.4	-64.6	177.9	0	0	0	111.2	I347	I343-I347 HydrophobicContact CG2-CD1 4.41Å; I343-I347 WeakPolarHBondContact O-CD1 3.45Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å
344	L	33.7	Very low	31.4	Very low	42 Å²	42	103.8 Å²	103.8	22%	0.22	56%	0.562	C	S	.	*	G	3₁₀ helix	trans	-87.4	-12.6	176.8	-73.4	161.4	0	0	0	114.1	L250 E254 R342 A346 I347	L250-L344 HydrophobicContact CD1-CD2 4.21Å; E254-L344 HydrophobicContact CB-CD1 4.06Å; E254-L344 HydrophobicContact CG-CD1 3.69Å; R342-L344 PolarHBondContact O-N 2.81Å; L344-A346 PolarHBondContact O-N 3.01Å; L344-A346 VanDerWaalsContact O-N 3.15Å; L344-I347 HydrophobicContact CD2-CB 4.33Å; L344-I347 HydrophobicContact CD2-CD1 3.93Å; L344-I347 HydrophobicContact CD2-CG2 4.43Å; L344-I347 PolarHBondContact O-N 3.14Å; L344-I347 VanDerWaalsContact O-N 3.1Å
345	K	34.1	Very low	31.5	Very low	131 Å²	131	108.2 Å²	108.2	57%	0.57	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-67.4	-15.5	179.8	-147.6	175.3	-173.9	174.5	0	113.2	Y203 R342	Y203-K345 WeakPolarHBondContact OH-CA 3.27Å; Y203-K345 VanDerWaalsContact OH-CG 3.28Å; Y203-K345 WeakPolarHBondContact OH-CG 3.4Å; Y203-K345 PolarHBondContact OH-O 3.25Å; Y203-K345 VanDerWaalsContact OH-O 3.05Å; R342-K345 PolarHBondContact O-N 3.08Å; R342-K345 VanDerWaalsContact O-N 3.08Å
346	A	34.2	Very low	31.5	Very low	77 Å²	77	109.6 Å²	109.6	64%	0.636	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-100.6	-8.3	176.5	0	0	0	0	0	114	L344	L344-A346 PolarHBondContact O-N 3.01Å; L344-A346 VanDerWaalsContact O-N 3.15Å
347	I	33	Very low	31.6	Very low	23 Å²	23	107.5 Å²	107.5	12%	0.118	56%	0.557	C	S	.	*	T	Hydrogen-bonded Turn	trans	-96.5	-16.3	-165	-65.4	177	0	0	0	112.9	N324 I343 L344	N324-I347 HydrophobicContact CB-CG1 4.27Å; I343-I347 HydrophobicContact CG2-CD1 4.41Å; I343-I347 WeakPolarHBondContact O-CD1 3.45Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; L344-I347 HydrophobicContact CD2-CB 4.33Å; L344-I347 HydrophobicContact CD2-CD1 3.93Å; L344-I347 HydrophobicContact CD2-CG2 4.43Å; L344-I347 PolarHBondContact O-N 3.14Å; L344-I347 VanDerWaalsContact O-N 3.1Å
348	S	36	Very low	31.5	Very low	29 Å²	29	107 Å²	107	20%	0.203	55%	0.554	C	S	.	*	S	Bend	trans	-98.8	-9.4	-169.7	-139.6	0	0	0	0	115.8	Y203	Y203-S348 VanDerWaalsContact CD2-CB 3.44Å
349	T	30.9	Very low	31.4	Very low	103 Å²	103	108.1 Å²	108.1	63%	0.632	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-19.6	-176.6	44.9	0	0	0	0	114.8
350	E	30.7	Very low	31.1	Very low	163 Å²	163	107.8 Å²	107.8	76%	0.762	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-12.8	-177.9	-67.6	-174.6	166.9	0	0	113.7
351	S	31.1	Very low	30.9	Very low	25 Å²	25	108.1 Å²	108.1	18%	0.175	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	-107.2	-11.4	-168	76	0	0	0	0	115.8	Y322	Y322-S351 VanDerWaalsContact CB-CB 3.44Å
352	M	31.7	Very low	30.5	Very low	72 Å²	72	106 Å²	106	36%	0.355	58%	0.581	S	S	.	*	S	Bend	trans	-105.6	2.7	171.6	-78.2	-158.5	160.7	0	0	113.4	R202	R202-M352 PolarHBondContact NH2-SD 2.96Å
353	V	30.5	Very low	30.1	Very low	91 Å²	91	102.6 Å²	102.6	55%	0.552	58%	0.584	S	S	*	*			trans	-103.9	99.5	178.4	-173.5	0	0	0	0	108	Y355	V353-Y355 PolarHBondContact O-N 3.32Å
354	G	28.8	Very low	29.6	Very low	72 Å²	72	100.5 Å²	100.5	74%	0.742	59%	0.592	S	S	*	*			trans	-51.4	122.5	155.5	0	0	0	0	0	108.1	L356	G354-L356 PolarHBondContact O-N 2.95Å
355	Y	27.5	Very low	29.3	Very low	210 Å²	210	108.7 Å²	108.7	82%	0.824	63%	0.626	S	S	*	*	S	Bend	trans	-33.5	122.9	-176.7	-98.6	-114.1	0	0	0	115.6	V353	V353-Y355 PolarHBondContact O-N 3.32Å
356	L	26.2	Very low	28.8	Very low	133 Å²	133	107.2 Å²	107.2	70%	0.696	64%	0.639	S	S	*	*			trans	64.3	131.6	137.3	-55.8	175	0	0	0	119	G354	G354-L356 PolarHBondContact O-N 2.95Å
357	D	25.6	Very low	28.4	Very low	97 Å²	97	110.5 Å²	110.5	52%	0.519	65%	0.65	S	S	.	*			cis	-141.9	129.1	44.9	-171.2	-9.5	0	0	0	112.7	N359	D357-N359 PolarHBondContact O-N 2.65Å; D357-N359 VanDerWaalsContact O-N 3.13Å; D357-N359 PolarHBondContact OD1-N 3.18Å; D357-N359 PolarHBondContact OD1-ND2 3.29Å
358	P	26.9	Very low	28.1	Very low	113 Å²	113	114.7 Å²	114.7	73%	0.734	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	4.8	179.6	-12	27.6	0	0	0	115.6
359	N	28.7	Very low	27.6	Very low	139 Å²	139	119.8 Å²	119.8	74%	0.743	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	8.4	-179.3	-69.9	-53.2	0	0	0	115.5	D357	D357-N359 PolarHBondContact O-N 2.65Å; D357-N359 VanDerWaalsContact O-N 3.13Å; D357-N359 PolarHBondContact OD1-N 3.18Å; D357-N359 PolarHBondContact OD1-ND2 3.29Å
360	L	26.2	Very low	27.4	Very low	139 Å²	139	120.1 Å²	120.1	73%	0.728	72%	0.715	S	S	*	*	S	Bend	trans	-127.7	135.3	172.1	-80.6	110	0	0	0	111.2
361	V	28.6	Very low	27	Very low	129 Å²	129	116.7 Å²	116.7	78%	0.782	71%	0.714	S	S	*	*			trans	93.9	79	169.6	-160.7	0	0	0	0	115.8
362	S	25.2	Very low	27	Very low	125 Å²	125	123.6 Å²	123.6	87%	0.874	75%	0.748	S	S	*	*			trans	-85	125.6	139.4	-90.5	0	0	0	0	108.8
363	P	27.7	Very low	26.7	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	76%	0.764	S	S	*	*			trans	-99	122.3	164.9	28.6	-16.8	0	0	0	110.7
364	G	24.9	Very low	26.5	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	77%	0.772	S	S	*	*			trans	112.6	53.1	146.8	0	0	0	0	0	119.2
365	K	26.9	Very low	26.2	Very low	214 Å²	214	128 Å²	128	93%	0.93	77%	0.769	S	S	*	*			trans	-137.7	106.5	145	-94.2	-175.5	-179.4	174.1	0	110.1
366	A	22.9	Very low	26.3	Very low	100 Å²	100	124.2 Å²	124.2	83%	0.826	77%	0.768	S	S	*	*			trans	-97.1	116.2	170.9	0	0	0	0	0	109.5
367	V	25.7	Very low	26.3	Very low	145 Å²	145	123.4 Å²	123.4	88%	0.879	77%	0.769	S	S	*	*			trans	-147.1	138	153.9	178.2	0	0	0	0	107.3
368	P	27.7	Very low	26.6	Very low	111 Å²	111	126.4 Å²	126.4	72%	0.721	79%	0.785	S	S	*	*			trans	-102.1	162.4	-145.8	38.7	-32.3	0	0	0	113.3
369	V	26.4	Very low	26.7	Very low	136 Å²	136	128.5 Å²	128.5	82%	0.824	79%	0.79	S	S	*	*			trans	-161	119.7	140.5	170.4	0	0	0	0	110.2
370	S	25.8	Very low	27	Very low	110 Å²	110	129 Å²	129	77%	0.769	79%	0.793	S	S	*	*			trans	28.4	127.4	139.4	-45.4	0	0	0	0	122.7
371	A	23.2	Very low	27.3	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	80%	0.797	S	S	*	*			trans	5.3	136.9	143.8	0	0	0	0	0	119.4
372	I	29.4	Very low	27.5	Very low	171 Å²	171	127.1 Å²	127.1	88%	0.877	80%	0.796	S	S	*	*				-162	137.2	117.3	-88.8	142.1	0	0	0	110.3
373	T	26.2	Very low	27.8	Very low	113 Å²	113	126.7 Å²	126.7	69%	0.693	79%	0.793	S	S	*	*			trans	-69.6	155.1	175.5	32.9	0	0	0	0	115.3
374	T	26	Very low	28.1	Very low	117 Å²	117	125.7 Å²	125.7	72%	0.718	79%	0.789	S	S	*	*			trans	68	116.2	140	52.4	0	0	0	0	121.3
375	S	23.5	Very low	28.5	Very low	98 Å²	98	129.2 Å²	129.2	69%	0.685	79%	0.788	S	S	*	*				14.4	120.2	125.5	58.2	0	0	0	0	118.4
376	T	29.1	Very low	28.7	Very low	130 Å²	130	126.3 Å²	126.3	80%	0.798	78%	0.782	S	S	*	*				179.2	127.5	119.3	18.2	0	0	0	0	112.2
377	T	26.5	Very low	29	Very low	116 Å²	116	126 Å²	126	71%	0.712	78%	0.775	S	S	*	*			trans	26.4	119.6	140.1	41.9	0	0	0	0	120.4
378	N	31.3	Very low	29.2	Very low	160 Å²	160	130.3 Å²	130.3	86%	0.856	78%	0.775	S	S	*	*				-174	125.2	105.6	-95.7	-18.4	0	0	0	112.5
379	N	28.6	Very low	29	Very low	157 Å²	157	130.3 Å²	130.3	84%	0.84	78%	0.777	S	S	*	*			trans	-75.9	147.9	165.8	-87.7	-21.4	0	0	0	110.4
380	N	34.5	Very low	29.2	Very low	150 Å²	150	129.5 Å²	129.5	80%	0.802	78%	0.778	S	S	*	*			trans	-149.9	125.2	142.9	-106.5	-12.3	0	0	0	111.7
381	N	34.3	Very low	29.2	Very low	155 Å²	155	129.6 Å²	129.6	83%	0.829	78%	0.778	S	S	*	*			trans	76.4	116.8	148.6	-61.7	-15.2	0	0	0	121.8
382	G	31.3	Very low	29.9	Very low	72 Å²	72	130.8 Å²	130.8	74%	0.742	78%	0.778	S	S	*	*			trans	139.3	79.2	136.2	0	0	0	0	0	117.8
383	S	32.7	Very low	29.8	Very low	117 Å²	117	132 Å²	132	82%	0.818	78%	0.781	S	S	*	*			trans	10.1	134.4	143.9	56	0	0	0	0	119
384	S	33.5	Very low	29.7	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	78%	0.781	S	S	*	*			cis	-173.7	140.2	41.8	46	0	0	0	0	113.1
385	I	32.4	Very low	29.8	Very low	150 Å²	150	134 Å²	134	77%	0.769	79%	0.789	S	S	*	*			trans	54.8	108.2	131.4	-53.2	167.9	0	0	0	117.1
386	N	32.8	Very low	29.8	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	79%	0.79	S	S	*	*				-161	131.8	70.5	-114.4	-21.1	0	0	0	113.1
387	S	27.5	Very low	29.8	Very low	95 Å²	95	133.3 Å²	133.3	66%	0.664	79%	0.79	S	S	*	*			trans	-69.5	158.1	164.6	55.1	0	0	0	0	111.9
388	R	30	Very low	29.8	Very low	235 Å²	235	134.8 Å²	134.8	89%	0.887	79%	0.792	S	S	*	*				-165.6	143	52.9	-80.3	179.8	169.8	163.4	-5.3	111.6
389	S	25.1	Very low	29.7	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	79%	0.785	S	S	*	*			trans	-69.9	149.8	156.9	51.2	0	0	0	0	113
390	S	28.9	Very low	29.6	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	78%	0.783	S	S	*	*				157.3	122.5	116.4	61.7	0	0	0	0	112.9
391	S	26.1	Very low	29.1	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	78%	0.779	S	S	*	*			trans	-101.6	-178.7	151.4	24.4	0	0	0	0	108.3
392	P	37.4	Very low	28.9	Very low	116 Å²	116	131.4 Å²	131.4	75%	0.753	78%	0.782	S	S	*	*			cis	-137.6	166.1	-30.1	31.2	-13.1	0	0	0	113
393	Q	29.1	Very low	28.9	Very low	198 Å²	198	138 Å²	138	93%	0.925	79%	0.79	S	S	*	*			trans	-147.4	142.3	151.1	-83.3	-166.9	-12.6	0	0	112.4
394	S	23.2	Very low	28.5	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	78%	0.784	S	S	*	*			trans	-60.6	157	-180	50.9	0	0	0	0	116.8
395	L	28.1	Very low	28.3	Very low	171 Å²	171	138.4 Å²	138.4	90%	0.895	79%	0.788	S	S	*	*				-177.3	140.4	125.1	-103.1	137.5	0	0	0	113.2
396	S	23.8	Very low	28	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	78%	0.783	S	S	*	*			trans	-85.8	148	176.2	50.5	0	0	0	0	113.3
397	S	29.7	Very low	27.9	Very low	113 Å²	113	137 Å²	137	79%	0.79	78%	0.782	S	S	*	*				-177.9	126.1	129.9	43.9	0	0	0	0	115.6
398	L	26.4	Very low	27.9	Very low	147 Å²	147	138.5 Å²	138.5	77%	0.77	78%	0.782	S	S	*	*			trans	8.5	139.6	148.1	-70.1	101.3	0	0	0	125.4
399	N	27.9	Very low	27.7	Very low	130 Å²	130	137.9 Å²	137.9	70%	0.695	78%	0.78	S	S	*	*				86.4	108	129	-71.1	-3.7	0	0	0	124.3
400	H	26.2	Very low	27.7	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.806	78%	0.778	S	S	*	*				41.2	116.9	126.8	-81.6	-59	0	0	0	123.4
401	S	24.9	Very low	27.4	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	78%	0.775	S	S	*	*				123.5	122.5	112.8	68.8	0	0	0	0	117
402	T	30.5	Very low	27.3	Very low	145 Å²	145	140.8 Å²	140.8	89%	0.89	77%	0.772	S	S	*	*				179.7	136.7	124.8	29.5	0	0	0	0	112
403	K	30	Very low	26.6	Very low	209 Å²	209	142.5 Å²	142.5	91%	0.909	77%	0.774	S	S	*	*			trans	-54.6	164.5	170.3	-64.1	165.2	173.3	174.6	0	111.1
404	S	24.3	Very low	26.4	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	76%	0.763	S	S	*	*			cis	179	150.6	3.8	141.4	0	0	0	0	105.4
405	V	30.1	Very low	26.4	Very low	126 Å²	126	137.4 Å²	137.4	76%	0.764	76%	0.76	S	S	*	*			trans	176.7	117.7	131.5	165.1	0	0	0	0	111.2
406	N	26.8	Very low	26.2	Very low	128 Å²	128	138.2 Å²	138.2	68%	0.684	76%	0.757	S	S	*	*			trans	41.5	125.9	147.6	-68.2	-11.8	0	0	0	123.9
407	N	28.9	Very low	26.1	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	76%	0.757	S	S	*	*				-167.3	117.9	96.2	-93.1	-20.6	0	0	0	114.2
408	N	29.4	Very low	25.8	Very low	125 Å²	125	138.7 Å²	138.7	67%	0.668	76%	0.76	S	S	*	*			trans	14.4	123.7	144.5	-72.6	-22.2	0	0	0	121.3
409	R	24.3	Very low	25.9	Very low	222 Å²	222	135.4 Å²	135.4	84%	0.838	76%	0.761	S	S	*	*				74.1	140.7	94.6	-72.9	-175.7	167.7	-165.1	2.1	113.5
410	L	25.9	Very low	25.6	Very low	141 Å²	141	137 Å²	137	74%	0.738	77%	0.765	S	S	*	*			cis	-169.4	166	22.9	-146	88.9	0	0	0	110.2
411	N	23.2	Very low	25.5	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	76%	0.761	S	S	*	*			trans	-76.4	167.9	167.6	-82.1	-25.1	0	0	0	114.2
412	T	24	Very low	25.6	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	77%	0.765	S	S	*	*			trans	115.5	108.1	144	49.3	0	0	0	0	122
413	I	22.8	Very low	25.2	Very low	152 Å²	152	136.3 Å²	136.3	78%	0.779	75%	0.753	S	S	*	*				72.6	130.7	123.5	-58.5	166.5	0	0	0	122.8
414	S	24.1	Very low	25.1	Very low	101 Å²	101	133 Å²	133	71%	0.706	75%	0.745	S	S	*	*			trans	106	102	144.6	62.8	0	0	0	0	123.1
415	S	22.3	Very low	25.1	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	75%	0.747	S	S	*	*				42.2	145.5	122.5	59.7	0	0	0	0	126.5
416	F	23.8	Very low	24.9	Very low	188 Å²	188	135.6 Å²	135.6	83%	0.825	75%	0.747	S	S	*	*			trans	105.7	102.7	156.2	-65.6	-71.6	0	0	0	117
417	S	23.1	Very low	24.9	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	75%	0.751	S	S	*	*				67	138	89.9	65.1	0	0	0	0	114.9
418	S	24	Very low	24.7	Very low	120 Å²	120	136 Å²	136	84%	0.839	75%	0.749	S	S	*	*			cis	177.4	156.3	10.8	38.3	0	0	0	0	111.2
419	G	27	Very low	24.5	Very low	78 Å²	78	138.2 Å²	138.2	80%	0.804	76%	0.76	S	S	*	*			trans	113.4	152.4	151.6	0	0	0	0	0	117.7
420	Q	22.8	Very low	24.5	Very low	163 Å²	163	134.4 Å²	134.4	76%	0.762	76%	0.756	S	S	*	*			cis	-173.9	146.8	-23.8	-139.3	-178.1	8.2	0	0	108.8
421	F	22.4	Very low	24.5	Very low	168 Å²	168	132.9 Å²	132.9	74%	0.737	75%	0.753	S	S	*	*			trans	67.9	143.9	162.8	-61.7	-70.2	0	0	0	120.1
422	N	27.2	Very low	24.6	Very low	150 Å²	150	132.1 Å²	132.1	80%	0.802	75%	0.748	S	S	*	*			cis	-159.9	163	23.2	-144	3.5	0	0	0	114.3
423	S	23.8	Very low	24.7	Very low	90 Å²	90	133.6 Å²	133.6	63%	0.629	75%	0.749	S	S	*	*			trans	-31.9	139.1	-179.3	-155.2	0	0	0	0	123.8
424	N	26.6	Very low	25	Very low	140 Å²	140	133 Å²	133	75%	0.749	75%	0.747	S	S	*	*				172.2	127.9	107.1	-95.9	-6.9	0	0	0	114.8
425	N	24.7	Very low	25.1	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	75%	0.745	S	S	*	*			trans	27	112.8	148.4	-71.5	-5.4	0	0	0	120.6
426	N	26.7	Very low	25.1	Very low	141 Å²	141	134 Å²	134	75%	0.754	75%	0.745	S	S	*	*				171.9	130.8	105.3	-90.7	-21.4	0	0	0	110.7
427	N	25.2	Very low	25.2	Very low	143 Å²	143	134.8 Å²	134.8	77%	0.765	74%	0.744	S	S	*	*			trans	34.5	94.1	146.3	-59	-10	0	0	0	117.1
428	N	26.2	Very low	25.2	Very low	142 Å²	142	135.6 Å²	135.6	76%	0.759	74%	0.744	S	S	*	*				-171	107.1	129.4	-90.7	-19.1	0	0	0	108	N430	N428-N430 PolarHBondContact O-N 2.98Å
429	L	25	Very low	25.4	Very low	170 Å²	170	135.9 Å²	135.9	89%	0.89	74%	0.743	S	S	*	*			trans	-67	75.6	160.1	-80.5	142.8	0	0	0	107.5	V431	L429-V431 PolarHBondContact O-N 3.49Å; L429-V431 VanDerWaalsContact O-N 3.08Å
430	N	24	Very low	25.5	Very low	143 Å²	143	137 Å²	137	77%	0.765	74%	0.739	S	S	*	*			trans	-74.5	86.2	155.1	-86.9	-1.8	0	0	0	105.7	N428 D432	N428-N430 PolarHBondContact O-N 2.98Å; N430-D432 PolarHBondContact O-N 2.73Å
431	V	26.8	Very low	25.9	Very low	109 Å²	109	132.6 Å²	132.6	66%	0.661	72%	0.72	S	S	*	*			trans	-63.4	116.8	163.2	176.9	0	0	0	0	105.8	L429 M433	L429-V431 PolarHBondContact O-N 3.49Å; L429-V431 VanDerWaalsContact O-N 3.08Å; V431-M433 PolarHBondContact O-N 3.3Å
432	D	24	Very low	26.9	Very low	127 Å²	127	129.1 Å²	129.1	68%	0.679	71%	0.706	S	S	*	*			trans	-48.4	111.8	175.2	-80.2	-40.8	0	0	0	110	N430 D434 S435	N430-D432 PolarHBondContact O-N 2.73Å; D432-D434 PolarHBondContact O-N 2.96Å; D432-S435 PolarHBondContact O-N 3.2Å
433	M	27.2	Very low	27.8	Very low	149 Å²	149	125.2 Å²	125.2	73%	0.734	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	3.4	176.2	-102.3	-81	-82.7	0	0	113.4	V431 L436	V431-M433 PolarHBondContact O-N 3.3Å; M433-L436 HydrophobicContact SD-CD1 3.62Å
434	D	27.2	Very low	29.4	Very low	139 Å²	139	123 Å²	123	74%	0.743	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-1.1	179.2	-76.7	-25.4	0	0	0	113.7	D432	D432-D434 PolarHBondContact O-N 2.96Å
435	S	26.6	Very low	31.6	Very low	95 Å²	95	116.9 Å²	116.9	66%	0.664	63%	0.634	S	S	*	*	S	Bend	trans	-95.5	10	170.5	76.7	0	0	0	0	114.1	D432	D432-S435 PolarHBondContact O-N 3.2Å
436	L	23.5	Very low	34.2	Very low	119 Å²	119	110.4 Å²	110.4	62%	0.623	60%	0.6	S	S	*	*			trans	-93.1	9.5	178.9	-80.8	165.4	0	0	0	114.3	M433 T438	M433-L436 HydrophobicContact SD-CD1 3.62Å; L436-T438 PolarHBondContact O-N 2.87Å
437	Y	25.2	Very low	37	Very low	204 Å²	204	103.8 Å²	103.8	80%	0.8	56%	0.564	S	S	*	*			trans	-81	73.2	165.7	-74.2	-77.6	0	0	0	109.9
438	T	23.6	Very low	39.7	Very low	118 Å²	118	97.2 Å²	97.2	72%	0.724	53%	0.53	S	S	*	.			trans	-55.1	130.4	151.7	41.9	0	0	0	0	107.3	L436 S440	L436-T438 PolarHBondContact O-N 2.87Å; T438-S440 PolarHBondContact O-N 3.31Å
439	P	27.6	Very low	42.5	Very low	126 Å²	126	90.6 Å²	90.6	82%	0.818	50%	0.495	S	S	*	.			trans	-63.6	112.7	175.2	25.6	-29.6	0	0	0	106.9	L441	P439-L441 PolarHBondContact O-N 3Å
440	S	28.9	Very low	45.6	Very low	103 Å²	103	82.5 Å²	82.5	72%	0.72	45%	0.452	S	S	*	.			trans	-34.9	131.3	174.5	52.3	0	0	0	0	111.9	T438 E442	T438-S440 PolarHBondContact O-N 3.31Å; S440-E442 PolarHBondContact O-N 3.04Å
441	L	32.1	Very low	48.7	Very low	70 Å²	70	75.7 Å²	75.7	37%	0.366	42%	0.416	S	S	.	.			trans	-45.1	113.9	172.5	-80.6	79.6	0	0	0	109.2	Y322 N324 P439 P443	Y322-L441 HydrophobicContact CD1-CB 3.87Å; Y322-L441 HydrophobicContact CD1-CD2 4.03Å; Y322-L441 HydrophobicContact CG-CD2 4.31Å; N324-L441 HydrophobicContact CB-CD2 4.1Å; N324-L441 VanDerWaalsContact OD1-CD1 3.28Å; N324-L441 WeakPolarHBondContact OD1-CD1 3.3Å; P439-L441 PolarHBondContact O-N 3Å; L441-P443 VanDerWaalsContact O-CD 3.31Å; L441-P443 WeakPolarHBondContact O-CD 3.44Å
442	E	41.9	Very low	51.6	Low	95 Å²	95	70.8 Å²	70.8	44%	0.444	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-82.4	118.3	177.9	-155.9	155.7	-152.4	0	0	107.8	S440 R444 K498	S440-E442 PolarHBondContact O-N 3.04Å; E442-R444 PolarHBondContact O-N 3.17Å; E442-R444 VanDerWaalsContact O-N 3.15Å; E442-K498 WeakPolarHBondContact OE1-CD 3.49Å; E442-K498 WeakPolarHBondContact OE1-CE 3.45Å; E442-K498 IonicContact OE1-NZ 3.46Å; E442-K498 PolarHBondContact OE1-NZ 3.4Å; E442-K498 WeakPolarHBondContact OE2-CD 3.46Å; E442-K498 IonicContact OE2-NZ 2.75Å; E442-K498 PolarHBondContact OE2-NZ 3.01Å
443	P	46	Very low	54.6	Low	68 Å²	68	64.8 Å²	64.8	44%	0.442	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-56.3	121	175.4	16.1	-25.7	0	0	0	109.4	L441	L441-P443 VanDerWaalsContact O-CD 3.31Å; L441-P443 WeakPolarHBondContact O-CD 3.44Å
444	R	57.5	Low	57.6	Low	43 Å²	43	57.7 Å²	57.7	16%	0.162	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-85.3	125.9	175.2	-80.6	-167.5	149.6	-156.2	-18.9	109.8	S253 G320 H321 E442 D449 E452	S253-R444 PolarHBondContact O-NH1 3.13Å; S253-R444 WeakPolarHBondContact OG-CD 3.45Å; S253-R444 PolarHBondContact OG-NH1 2.88Å; G320-R444 CarbonylContact C-O 3.49Å; G320-R444 WeakPolarHBondContact CA-O 3.25Å; H321-R444 PolarHBondContact N-O 3.03Å; H321-R444 PolarHBondContact O-N 2.96Å; E442-R444 PolarHBondContact O-N 3.17Å; E442-R444 VanDerWaalsContact O-N 3.15Å; R444-D449 IonicContact CZ-OD1 4Å; R444-D449 IonicContact NE-OD1 2.65Å; R444-D449 IonicContact NH1-OD1 3.05Å; R444-D449 PolarHBondContact NH1-OD1 3.47Å; R444-E452 IonicContact CZ-OE2 3.79Å; R444-E452 IonicContact NH2-OE1 3.58Å; R444-E452 IonicContact NH2-OE2 2.81Å; R444-E452 PolarHBondContact NH2-OE2 2.74Å
445	N	73.3	Confident	60.6	Low	12 Å²	12	51.2 Å²	51.2	6%	0.064	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-92.5	132.6	179	163.4	-62.9	0	0	0	108.4	S318 L447 A448 D449 F497	S318-N445 PolarHBondContact O-ND2 2.99Å; S318-N445 VanDerWaalsContact OG-CG 3.26Å; S318-N445 PolarHBondContact OG-ND2 2.84Å; S318-N445 VanDerWaalsContact OG-ND2 3.1Å; S318-N445 PolarHBondContact OG-OD1 3.16Å; N445-L447 VanDerWaalsContact C-N 3.31Å; N445-L447 PolarHBondContact O-N 2.73Å; N445-L447 WeakPolarHBondContact OD1-CA 3.46Å; N445-L447 VanDerWaalsContact OD1-CB 3.29Å; N445-L447 WeakPolarHBondContact OD1-CB 3.46Å; N445-L447 PolarHBondContact OD1-N 3.08Å; N445-A448 HydrophobicContact CB-CB 4.05Å; N445-A448 CarbonylContact O-C 3.58Å; N445-A448 WeakPolarHBondContact O-CA 3.45Å; N445-A448 WeakPolarHBondContact O-CB 3.32Å; N445-A448 PolarHBondContact O-N 2.88Å; N445-A448 PolarHBondContact OD1-N 3.34Å; N445-D449 PolarHBondContact O-N 3.34Å; N445-F497 HydrophobicContact CB-CB 4.06Å; N445-F497 HydrophobicContact CB-CD1 4.05Å; N445-F497 HydrophobicContact CB-CD2 4.1Å; N445-F497 HydrophobicContact CB-CE1 4.48Å; N445-F497 HydrophobicContact CB-CG 3.82Å; N445-F497 VanDerWaalsContact ND2-CD1 3.27Å; N445-F497 WeakPolarHBondContact ND2-CD1 3.47Å; N445-F497 WeakPolarHBondContact ND2-CE1 3.39Å; N445-F497 WeakPolarHBondContact OD1-CZ 3.4Å
446	L	80.6	Confident	63.3	Low	3 Å²	3	47.4 Å²	47.4	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-41.9	-177.4	167.7	61.4	0	0	0	112.9	L245 V248 A249 L252 L315 A448 D449 L450	L245-L446 HydrophobicContact CB-CD2 3.65Å; L245-L446 HydrophobicContact CD2-CD2 3.32Å; L245-L446 HydrophobicContact CG-CD2 4.05Å; V248-L446 HydrophobicContact CB-CD1 4.47Å; V248-L446 HydrophobicContact CG1-CD1 4.17Å; A249-L446 VanDerWaalsContact CA-CD1 3.41Å; A249-L446 HydrophobicContact CB-CB 3.72Å; A249-L446 HydrophobicContact CB-CD1 3.58Å; A249-L446 HydrophobicContact CB-CG 4.1Å; L252-L446 HydrophobicContact CD1-CD1 3.95Å; L315-L446 HydrophobicContact CD1-CD2 3.3Å; L315-L446 HydrophobicContact CD1-CG 3.64Å; L446-A448 VanDerWaalsContact C-N 3.25Å; L446-A448 PolarHBondContact O-N 3Å; L446-D449 PolarHBondContact O-N 2.83Å; L446-L450 WeakPolarHBondContact O-CB 3.4Å; L446-L450 PolarHBondContact O-N 3.46Å
447	L	83.8	Confident	66.3	Low	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-34.5	177.3	-176.9	58.1	0	0	0	110.8	S318 N445 L450 L451 L490 F497 I522	S318-L447 PolarHBondContact OG-N 3.48Å; S318-L447 VanDerWaalsContact OG-N 3.16Å; N445-L447 VanDerWaalsContact C-N 3.31Å; N445-L447 PolarHBondContact O-N 2.73Å; N445-L447 WeakPolarHBondContact OD1-CA 3.46Å; N445-L447 VanDerWaalsContact OD1-CB 3.29Å; N445-L447 WeakPolarHBondContact OD1-CB 3.46Å; N445-L447 PolarHBondContact OD1-N 3.08Å; L447-L450 HydrophobicContact CD1-CD2 4.32Å; L447-L450 PolarHBondContact O-N 3.35Å; L447-L451 HydrophobicContact CD1-CD1 4.47Å; L447-L451 HydrophobicContact CD1-CG 4.44Å; L447-L451 HydrophobicContact CG-CD1 4.14Å; L447-L451 WeakPolarHBondContact O-CB 3.48Å; L447-L451 WeakPolarHBondContact O-CD1 3.19Å; L447-L451 WeakPolarHBondContact O-CG 3.43Å; L447-L451 PolarHBondContact O-N 3.35Å; L447-L490 HydrophobicContact CD2-CD2 3.65Å; L447-F497 HydrophobicContact CB-CZ 4.2Å; L447-F497 HydrophobicContact CD2-CZ 4.27Å; L447-F497 HydrophobicContact CG-CZ 4.32Å; L447-I522 HydrophobicContact CD2-CD1 4.02Å; L447-I522 HydrophobicContact CD2-CG2 3.91Å; L447-I522 HydrophobicContact CG-CG2 4.38Å
448	A	83.2	Confident	69.2	Low	6 Å²	6	32.6 Å²	32.6	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-46.9	169.9	0	0	0	0	0	111.9	N445 L446 L450 L451 E452 F497 V499	N445-A448 HydrophobicContact CB-CB 4.05Å; N445-A448 CarbonylContact O-C 3.58Å; N445-A448 WeakPolarHBondContact O-CA 3.45Å; N445-A448 WeakPolarHBondContact O-CB 3.32Å; N445-A448 PolarHBondContact O-N 2.88Å; N445-A448 PolarHBondContact OD1-N 3.34Å; L446-A448 VanDerWaalsContact C-N 3.25Å; L446-A448 PolarHBondContact O-N 3Å; A448-L450 VanDerWaalsContact C-N 3.34Å; A448-L451 PolarHBondContact O-N 3.22Å; A448-E452 WeakPolarHBondContact O-CB 3.27Å; A448-E452 PolarHBondContact O-N 3.17Å; A448-F497 HydrophobicContact CB-CD2 3.45Å; A448-F497 VanDerWaalsContact CB-CD2 3.45Å; A448-F497 HydrophobicContact CB-CE2 3.62Å; A448-F497 HydrophobicContact CB-CG 4.46Å; A448-V499 HydrophobicContact CB-CG2 3.94Å
449	D	84.7	Confident	72	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-38.3	178.4	-74.8	-46	0	0	0	111.6	L252 N256 R444 N445 L446 Y453	L252-D449 HydrophobicContact CB-CB 4Å; N256-D449 PolarHBondContact ND2-O 3.11Å; R444-D449 IonicContact CZ-OD1 4Å; R444-D449 IonicContact NE-OD1 2.65Å; R444-D449 IonicContact NH1-OD1 3.05Å; R444-D449 PolarHBondContact NH1-OD1 3.47Å; N445-D449 PolarHBondContact O-N 3.34Å; L446-D449 PolarHBondContact O-N 2.83Å; D449-Y453 VanDerWaalsContact O-CB 3.24Å; D449-Y453 WeakPolarHBondContact O-CB 3.41Å; D449-Y453 PolarHBondContact O-N 3.15Å
450	L	88.9	Confident	74.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-44.3	174.1	-177.8	64.9	0	0	0	111.3	L252 L298 L301 L446 L447 A448 Y453 C454 I476 I480	L252-L450 HydrophobicContact CD1-CB 4.16Å; L252-L450 HydrophobicContact CD1-CD1 4.04Å; L298-L450 HydrophobicContact CD2-CD1 3.95Å; L301-L450 HydrophobicContact CD2-CD1 4Å; L301-L450 HydrophobicContact CD2-CD2 4.01Å; L446-L450 WeakPolarHBondContact O-CB 3.4Å; L446-L450 PolarHBondContact O-N 3.46Å; L447-L450 HydrophobicContact CD1-CD2 4.32Å; L447-L450 PolarHBondContact O-N 3.35Å; A448-L450 VanDerWaalsContact C-N 3.34Å; L450-Y453 WeakPolarHBondContact O-CB 3.21Å; L450-Y453 PolarHBondContact O-N 3.42Å; L450-C454 WeakPolarHBondContact O-CB 3.32Å; L450-C454 PolarHBondContact O-N 3.35Å; L450-C454 PolarHBondContact O-SG 3.27Å; L450-I476 HydrophobicContact CD2-CG2 4.31Å; L450-I480 HydrophobicContact CD2-CD1 4.32Å
451	L	89.8	Confident	76.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-43.3	176.8	-74	164.1	0	0	0	112	L447 A448 C454 S455 F477 V499 I501 I522 V525 I526 L529	L447-L451 HydrophobicContact CD1-CD1 4.47Å; L447-L451 HydrophobicContact CD1-CG 4.44Å; L447-L451 HydrophobicContact CG-CD1 4.14Å; L447-L451 WeakPolarHBondContact O-CB 3.48Å; L447-L451 WeakPolarHBondContact O-CD1 3.19Å; L447-L451 WeakPolarHBondContact O-CG 3.43Å; L447-L451 PolarHBondContact O-N 3.35Å; A448-L451 PolarHBondContact O-N 3.22Å; L451-C454 PolarHBondContact O-N 2.7Å; L451-S455 WeakPolarHBondContact O-CB 3.49Å; L451-S455 PolarHBondContact O-N 2.95Å; L451-F477 HydrophobicContact CD2-CE1 3.88Å; L451-F477 HydrophobicContact CD2-CZ 3.61Å; L451-F477 HydrophobicContact CG-CZ 4.39Å; L451-V499 HydrophobicContact CB-CG1 3.69Å; L451-V499 HydrophobicContact CD1-CG1 4.3Å; L451-V499 HydrophobicContact CD1-CG2 4.26Å; L451-I501 HydrophobicContact CB-CD1 4.22Å; L451-I522 HydrophobicContact CD1-CG2 3.8Å; L451-V525 HydrophobicContact CD1-CG1 4.24Å; L451-I526 HydrophobicContact CD2-CG1 3.78Å; L451-L529 HydrophobicContact CD2-CD2 4.26Å
452	E	87.6	Confident	78.9	Confident	6 Å²	6	24.2 Å²	24.2	3%	0.028	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-46.9	174.2	-178.5	170.3	-165.7	0	0	109.8	N256 R444 A448 C454 S455 V456 R500 H502	N256-E452 HydrophobicContact CB-CG 4Å; R444-E452 IonicContact CZ-OE2 3.79Å; R444-E452 IonicContact NH2-OE1 3.58Å; R444-E452 IonicContact NH2-OE2 2.81Å; R444-E452 PolarHBondContact NH2-OE2 2.74Å; A448-E452 WeakPolarHBondContact O-CB 3.27Å; A448-E452 PolarHBondContact O-N 3.17Å; E452-C454 PolarHBondContact O-N 3.12Å; E452-S455 WeakPolarHBondContact O-CB 3.26Å; E452-S455 PolarHBondContact O-N 2.81Å; E452-S455 PolarHBondContact O-OG 3.39Å; E452-V456 WeakPolarHBondContact O-CG2 3.3Å; E452-V456 PolarHBondContact O-N 2.91Å; E452-V456 VanDerWaalsContact O-N 3.14Å; E452-R500 WeakPolarHBondContact CB-O 3.5Å; E452-R500 HydrophobicContact CG-CB 4.39Å; E452-R500 WeakPolarHBondContact CG-O 3.49Å; E452-R500 IonicContact OE1-NH1 3.31Å; E452-H502 IonicContact OE1-NE2 3.32Å; E452-H502 PolarHBondContact OE1-NE2 3.29Å
453	Y	87.8	Confident	80.8	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-52	176	175.1	-92.6	0	0	0	112	L252 F255 N256 L291 C294 L298 D449 L450 S455 V456 V457	L252-Y453 HydrophobicContact CD2-CD1 4.24Å; L252-Y453 HydrophobicContact CD2-CD2 3.77Å; L252-Y453 HydrophobicContact CD2-CE2 4.27Å; L252-Y453 HydrophobicContact CD2-CG 3.76Å; F255-Y453 AromaticContact CD1-CD2 3.4Å; F255-Y453 HydrophobicContact CD1-CD2 3.4Å; F255-Y453 VanDerWaalsContact CD1-CD2 3.4Å; F255-Y453 AromaticContact CD1-CE2 3.91Å; F255-Y453 HydrophobicContact CD1-CE2 3.91Å; F255-Y453 HydrophobicContact CD2-CD2 4.44Å; F255-Y453 HydrophobicContact CD2-CE2 4.15Å; F255-Y453 AromaticContact CE1-CD2 3.47Å; F255-Y453 HydrophobicContact CE1-CD2 3.47Å; F255-Y453 VanDerWaalsContact CE1-CD2 3.47Å; F255-Y453 AromaticContact CE1-CE2 3.8Å; F255-Y453 HydrophobicContact CE1-CE2 3.8Å; F255-Y453 HydrophobicContact CE1-CG 4.49Å; F255-Y453 HydrophobicContact CE2-CD2 4.47Å; F255-Y453 HydrophobicContact CE2-CE2 4.02Å; F255-Y453 AromaticContact CG-CD2 3.93Å; F255-Y453 HydrophobicContact CG-CD2 3.93Å; F255-Y453 HydrophobicContact CG-CE2 4.1Å; F255-Y453 HydrophobicContact CZ-CD2 4.04Å; F255-Y453 AromaticContact CZ-CE2 3.87Å; F255-Y453 HydrophobicContact CZ-CE2 3.87Å; N256-Y453 WeakPolarHBondContact OD1-CA 3.25Å; N256-Y453 PolarHBondContact OD1-N 2.82Å; L291-Y453 HydrophobicContact CD2-CE2 4.32Å; C294-Y453 HydrophobicContact CB-CE2 3.82Å; L298-Y453 HydrophobicContact CD1-CD1 4.4Å; L298-Y453 HydrophobicContact CD1-CE1 3.43Å; L298-Y453 VanDerWaalsContact CD1-CE1 3.43Å; L298-Y453 HydrophobicContact CD2-CE1 4.42Å; L298-Y453 HydrophobicContact CG-CE1 4.47Å; D449-Y453 VanDerWaalsContact O-CB 3.24Å; D449-Y453 WeakPolarHBondContact O-CB 3.41Å; D449-Y453 PolarHBondContact O-N 3.15Å; L450-Y453 WeakPolarHBondContact O-CB 3.21Å; L450-Y453 PolarHBondContact O-N 3.42Å; Y453-S455 PolarHBondContact O-N 3.15Å; Y453-V456 WeakPolarHBondContact O-CA 3.4Å; Y453-V456 WeakPolarHBondContact O-CB 3.39Å; Y453-V456 PolarHBondContact O-N 2.75Å; Y453-V457 HydrophobicContact CD1-CG2 3.94Å; Y453-V457 HydrophobicContact CD2-CG2 4.42Å; Y453-V457 HydrophobicContact CE1-CG2 3.38Å; Y453-V457 HydrophobicContact CE2-CG2 3.94Å; Y453-V457 HydrophobicContact CG-CG2 4.42Å; Y453-V457 WeakPolarHBondContact O-CG2 3.45Å; Y453-V457 PolarHBondContact O-N 2.99Å
454	C	90.5	Very high	82.6	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-36.7	179.1	-67.6	0	0	0	0	111.4	L450 L451 E452 V456 V457 M458 C473 F477 L529	L450-C454 WeakPolarHBondContact O-CB 3.32Å; L450-C454 PolarHBondContact O-N 3.35Å; L450-C454 PolarHBondContact O-SG 3.27Å; L451-C454 PolarHBondContact O-N 2.7Å; E452-C454 PolarHBondContact O-N 3.12Å; C454-V456 PolarHBondContact O-N 2.71Å; C454-V457 PolarHBondContact O-N 3.48Å; C454-M458 HydrophobicContact CB-CE 4.38Å; C454-M458 VanDerWaalsContact O-CB 3.23Å; C454-M458 WeakPolarHBondContact O-CB 3.29Å; C454-M458 WeakPolarHBondContact O-CG 3.45Å; C454-M458 PolarHBondContact O-N 3.48Å; C454-C473 VanDerWaalsContact SG-SG 3.66Å; C454-F477 HydrophobicContact CB-CE2 3.8Å; C454-F477 HydrophobicContact CB-CZ 4.3Å; C454-F477 WeakPolarHBondContact SG-CE2 3.23Å; C454-L529 HydrophobicContact CB-CD2 3.86Å
455	S	88.6	Confident	83.7	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-29.2	174.1	83.9	0	0	0	0	113.4	L451 E452 Y453 Q459 H502	L451-S455 WeakPolarHBondContact O-CB 3.49Å; L451-S455 PolarHBondContact O-N 2.95Å; E452-S455 WeakPolarHBondContact O-CB 3.26Å; E452-S455 PolarHBondContact O-N 2.81Å; E452-S455 PolarHBondContact O-OG 3.39Å; Y453-S455 PolarHBondContact O-N 3.15Å; S455-Q459 WeakPolarHBondContact O-CG 3.34Å; S455-Q459 PolarHBondContact O-NE2 3.2Å; S455-H502 PolarHBondContact OG-N 3.23Å
456	V	85.2	Confident	84.2	Confident	15 Å²	15	25.7 Å²	25.7	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-74.6	-52.9	173.6	176.4	0	0	0	0	110.6	F255 F259 E452 Y453 C454 M458 Q459	F255-V456 HydrophobicContact CE1-CB 4.05Å; F255-V456 HydrophobicContact CE1-CG1 3.88Å; F255-V456 HydrophobicContact CE1-CG2 4.34Å; F255-V456 HydrophobicContact CZ-CB 4.46Å; F255-V456 HydrophobicContact CZ-CG1 3.86Å; F259-V456 HydrophobicContact CD1-CG1 4.22Å; F259-V456 HydrophobicContact CD1-CG2 3.51Å; F259-V456 HydrophobicContact CD2-CG1 3.54Å; F259-V456 HydrophobicContact CD2-CG2 4.34Å; F259-V456 HydrophobicContact CE1-CB 4.48Å; F259-V456 HydrophobicContact CE1-CG1 4.16Å; F259-V456 HydrophobicContact CE1-CG2 3.59Å; F259-V456 HydrophobicContact CE2-CG1 3.47Å; F259-V456 VanDerWaalsContact CE2-CG1 3.47Å; F259-V456 HydrophobicContact CE2-CG2 4.42Å; F259-V456 HydrophobicContact CG-CG1 3.93Å; F259-V456 HydrophobicContact CG-CG2 3.91Å; F259-V456 HydrophobicContact CZ-CB 4.49Å; F259-V456 HydrophobicContact CZ-CG1 3.8Å; F259-V456 HydrophobicContact CZ-CG2 4.07Å; E452-V456 WeakPolarHBondContact O-CG2 3.3Å; E452-V456 PolarHBondContact O-N 2.91Å; E452-V456 VanDerWaalsContact O-N 3.14Å; Y453-V456 WeakPolarHBondContact O-CA 3.4Å; Y453-V456 WeakPolarHBondContact O-CB 3.39Å; Y453-V456 PolarHBondContact O-N 2.75Å; C454-V456 PolarHBondContact O-N 2.71Å; V456-M458 VanDerWaalsContact C-N 3.29Å; V456-M458 PolarHBondContact O-N 3.25Å; V456-Q459 WeakPolarHBondContact O-CB 3.17Å; V456-Q459 PolarHBondContact O-N 3.27Å; V456-Q459 VanDerWaalsContact O-N 3.08Å
457	V	84.7	Confident	84.5	Confident	4 Å²	4	28 Å²	28	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-38.7	-177.1	-177.5	0	0	0	0	111.7	L291 Y453 C454 Q459 D460 C470	L291-V457 HydrophobicContact CD2-CG2 3.63Å; Y453-V457 HydrophobicContact CD1-CG2 3.94Å; Y453-V457 HydrophobicContact CD2-CG2 4.42Å; Y453-V457 HydrophobicContact CE1-CG2 3.38Å; Y453-V457 HydrophobicContact CE2-CG2 3.94Å; Y453-V457 HydrophobicContact CG-CG2 4.42Å; Y453-V457 WeakPolarHBondContact O-CG2 3.45Å; Y453-V457 PolarHBondContact O-N 2.99Å; C454-V457 PolarHBondContact O-N 3.48Å; V457-Q459 PolarHBondContact O-N 2.65Å; V457-Q459 VanDerWaalsContact O-N 3.16Å; V457-D460 PolarHBondContact O-N 3.01Å; V457-C470 HydrophobicContact CG1-CB 3.98Å
458	M	87.6	Confident	84.8	Confident	9 Å²	9	28.9 Å²	28.9	4%	0.044	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.6	178.7	-70.5	177.4	-179.7	0	0	113.9	C454 V456 L474 L529 M530 F533 H537	C454-M458 HydrophobicContact CB-CE 4.38Å; C454-M458 VanDerWaalsContact O-CB 3.23Å; C454-M458 WeakPolarHBondContact O-CB 3.29Å; C454-M458 WeakPolarHBondContact O-CG 3.45Å; C454-M458 PolarHBondContact O-N 3.48Å; V456-M458 VanDerWaalsContact C-N 3.29Å; V456-M458 PolarHBondContact O-N 3.25Å; M458-L474 HydrophobicContact CE-CD2 3.59Å; M458-L474 HydrophobicContact CE-CG 3.89Å; M458-L529 HydrophobicContact CE-CD2 4.4Å; M458-L529 HydrophobicContact SD-CD1 3.75Å; M458-L529 HydrophobicContact SD-CD2 4Å; M458-L529 HydrophobicContact SD-CG 3.65Å; M458-M530 HydrophobicContact CE-CE 4.02Å; M458-F533 HydrophobicContact CB-CD2 4.47Å; M458-F533 HydrophobicContact CG-CD2 4.3Å; M458-F533 HydrophobicContact SD-CB 4.17Å; M458-H537 PolarHBondContact O-CE1 3.07Å; M458-H537 PolarHBondContact O-NE2 3.25Å
459	Q	81.7	Confident	85.1	Confident	58 Å²	58	28.7 Å²	28.7	27%	0.271	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-26.3	176.9	-83.4	166	71.4	0	0	113.6	S455 V456 V457 H502	S455-Q459 WeakPolarHBondContact O-CG 3.34Å; S455-Q459 PolarHBondContact O-NE2 3.2Å; V456-Q459 WeakPolarHBondContact O-CB 3.17Å; V456-Q459 PolarHBondContact O-N 3.27Å; V456-Q459 VanDerWaalsContact O-N 3.08Å; V457-Q459 PolarHBondContact O-N 2.65Å; V457-Q459 VanDerWaalsContact O-N 3.16Å; Q459-H502 PolarHBondContact NE2-O 3.29Å
460	D	76.2	Confident	85.4	Confident	32 Å²	32	28.5 Å²	28.5	17%	0.171	15%	0.148	C	C	.	.			trans	-139.4	114	-179	-168.4	13.6	0	0	0	110.7	V457 K462 S466	V457-D460 PolarHBondContact O-N 3.01Å; D460-K462 WeakPolarHBondContact OD1-CB 3.36Å; D460-K462 VanDerWaalsContact OD1-CD 3.3Å; D460-K462 WeakPolarHBondContact OD1-CD 3.31Å; D460-K462 WeakPolarHBondContact OD1-CG 3.42Å; D460-K462 PolarHBondContact OD1-N 2.72Å; D460-S466 WeakPolarHBondContact O-CB 3.39Å; D460-S466 PolarHBondContact O-OG 3.13Å
461	V	80.8	Confident	85.7	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.024	15%	0.15	C	C	.	.			trans	-119.9	25.8	178.2	-58.3	0	0	0	0	111.4	C470 H537 M539	V461-C470 HydrophobicContact CG1-CB 3.85Å; V461-H537 HydrophobicContact CG2-CB 4.24Å; V461-H537 VanDerWaalsContact CG2-ND1 3.32Å; V461-H537 WeakPolarHBondContact CG2-ND1 3.36Å; V461-M539 HydrophobicContact CG2-CE 3.75Å
462	K	76.5	Confident	85.8	Confident	146 Å²	146	28.8 Å²	28.8	64%	0.635	15%	0.15	S	C	*	.			trans	-80.8	-31.5	-175.4	-68.3	171.9	-169.2	165.4	0	113.4	D460	D460-K462 WeakPolarHBondContact OD1-CB 3.36Å; D460-K462 VanDerWaalsContact OD1-CD 3.3Å; D460-K462 WeakPolarHBondContact OD1-CD 3.31Å; D460-K462 WeakPolarHBondContact OD1-CG 3.42Å; D460-K462 PolarHBondContact OD1-N 2.72Å
463	T	82.1	Confident	86	Confident	56 Å²	56	28.6 Å²	28.6	34%	0.344	15%	0.149	S	C	.	.	S	Bend	trans	-88.7	148.5	177.6	69.6	0	0	0	0	109.7	E465 S466 L467	T463-E465 PolarHBondContact O-N 3.41Å; T463-S466 PolarHBondContact N-OG 2.79Å; T463-S466 VanDerWaalsContact N-OG 3.17Å; T463-S466 PolarHBondContact O-N 2.96Å; T463-S466 PolarHBondContact O-OG 2.9Å; T463-S466 VanDerWaalsContact OG1-CB 3.27Å; T463-S466 WeakPolarHBondContact OG1-CB 3.41Å; T463-S466 PolarHBondContact OG1-N 3.4Å; T463-S466 VanDerWaalsContact OG1-N 3.12Å; T463-S466 PolarHBondContact OG1-OG 2.9Å; T463-L467 WeakPolarHBondContact O-CB 3.18Å; T463-L467 PolarHBondContact O-N 3.25Å
464	P	83.5	Confident	86.4	Confident	84 Å²	84	28.6 Å²	28.6	55%	0.545	15%	0.149	S	C	.	.	H	α-helix	trans	-59.9	-34.2	177.9	22.7	-30.1	0	0	0	111.7	N468	P464-N468 WeakPolarHBondContact O-CB 3.35Å; P464-N468 PolarHBondContact O-N 2.92Å; P464-N468 PolarHBondContact O-ND2 2.98Å; P464-N468 VanDerWaalsContact O-ND2 3.11Å
465	E	81.1	Confident	86.5	Confident	102 Å²	102	28.5 Å²	28.5	48%	0.477	15%	0.148	S	C	.	.	H	α-helix	trans	-66.7	-49	177.3	-59.2	76.7	-166.5	0	0	111.8	T463 L467 N468 S469	T463-E465 PolarHBondContact O-N 3.41Å; E465-L467 VanDerWaalsContact C-N 3.29Å; E465-L467 PolarHBondContact O-N 3.39Å; E465-N468 WeakPolarHBondContact O-CB 3.31Å; E465-N468 PolarHBondContact O-N 3.11Å; E465-N468 VanDerWaalsContact O-N 3.15Å; E465-S469 PolarHBondContact O-N 3.24Å; E465-S469 PolarHBondContact O-OG 3.08Å
466	S	82.8	Confident	86.7	Confident	8 Å²	8	28.5 Å²	28.5	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-36.7	179	57.5	0	0	0	0	112	D460 T463 S469 C470	D460-S466 WeakPolarHBondContact O-CB 3.39Å; D460-S466 PolarHBondContact O-OG 3.13Å; T463-S466 PolarHBondContact N-OG 2.79Å; T463-S466 VanDerWaalsContact N-OG 3.17Å; T463-S466 PolarHBondContact O-N 2.96Å; T463-S466 PolarHBondContact O-OG 2.9Å; T463-S466 VanDerWaalsContact OG1-CB 3.27Å; T463-S466 WeakPolarHBondContact OG1-CB 3.41Å; T463-S466 PolarHBondContact OG1-N 3.4Å; T463-S466 VanDerWaalsContact OG1-N 3.12Å; T463-S466 PolarHBondContact OG1-OG 2.9Å; S466-S469 PolarHBondContact O-N 2.84Å; S466-C470 WeakPolarHBondContact O-CB 3.32Å; S466-C470 PolarHBondContact O-N 3.01Å
467	L	88.4	Confident	87.1	Confident	50 Å²	50	27.8 Å²	27.8	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-61.6	-44.5	172.8	-169.9	152.1	0	0	0	111.1	T463 E465 C470 H471 P543 L546	T463-L467 WeakPolarHBondContact O-CB 3.18Å; T463-L467 PolarHBondContact O-N 3.25Å; E465-L467 VanDerWaalsContact C-N 3.29Å; E465-L467 PolarHBondContact O-N 3.39Å; L467-C470 PolarHBondContact O-N 3.05Å; L467-H471 WeakPolarHBondContact O-CB 3.24Å; L467-H471 PolarHBondContact O-N 2.98Å; L467-P543 HydrophobicContact CD1-CB 4.22Å; L467-L546 HydrophobicContact CD2-CD1 4.21Å; L467-L546 HydrophobicContact CG-CD2 4.33Å
468	N	90.1	Very high	87.6	Confident	20 Å²	20	27.6 Å²	27.6	11%	0.107	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-45.5	177	-69.4	-26.2	0	0	0	112	P464 E465 C470 H471 L472 M735 N738 I739	P464-N468 WeakPolarHBondContact O-CB 3.35Å; P464-N468 PolarHBondContact O-N 2.92Å; P464-N468 PolarHBondContact O-ND2 2.98Å; P464-N468 VanDerWaalsContact O-ND2 3.11Å; E465-N468 WeakPolarHBondContact O-CB 3.31Å; E465-N468 PolarHBondContact O-N 3.11Å; E465-N468 VanDerWaalsContact O-N 3.15Å; N468-C470 VanDerWaalsContact C-N 3.32Å; N468-C470 PolarHBondContact O-N 3.3Å; N468-H471 VanDerWaalsContact O-CB 3.32Å; N468-H471 WeakPolarHBondContact O-CB 3.43Å; N468-H471 PolarHBondContact O-N 3.31Å; N468-H471 VanDerWaalsContact O-N 3.16Å; N468-L472 PolarHBondContact O-N 2.87Å; N468-M735 HydrophobicContact CB-CG 4Å; N468-M735 WeakPolarHBondContact OD1-CG 3.36Å; N468-N738 WeakPolarHBondContact ND2-CB 3.23Å; N468-I739 HydrophobicContact CB-CD1 4.07Å; N468-I739 HydrophobicContact CB-CG1 3.72Å
469	S	88.9	Confident	87.8	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-41.2	175.9	-59.5	0	0	0	0	111.6	D295 E465 S466 H471 L472 C473	D295-S469 WeakPolarHBondContact OD1-CB 3.31Å; D295-S469 PolarHBondContact OD1-OG 3.16Å; D295-S469 PolarHBondContact OD2-OG 3.48Å; E465-S469 PolarHBondContact O-N 3.24Å; E465-S469 PolarHBondContact O-OG 3.08Å; S466-S469 PolarHBondContact O-N 2.84Å; S469-H471 VanDerWaalsContact C-N 3.32Å; S469-H471 PolarHBondContact O-N 3.37Å; S469-L472 PolarHBondContact O-N 3.44Å; S469-C473 PolarHBondContact O-N 3.46Å; S469-C473 PolarHBondContact O-SG 3.29Å
470	C	91.2	Very high	88.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-39.8	174.8	-173.5	0	0	0	0	111.6	V457 V461 S466 L467 N468 C473 L474 L546	V457-C470 HydrophobicContact CG1-CB 3.98Å; V461-C470 HydrophobicContact CG1-CB 3.85Å; S466-C470 WeakPolarHBondContact O-CB 3.32Å; S466-C470 PolarHBondContact O-N 3.01Å; L467-C470 PolarHBondContact O-N 3.05Å; N468-C470 VanDerWaalsContact C-N 3.32Å; N468-C470 PolarHBondContact O-N 3.3Å; C470-C473 PolarHBondContact O-N 2.75Å; C470-L474 PolarHBondContact O-N 3.38Å; C470-L474 VanDerWaalsContact O-N 3.11Å; C470-L546 HydrophobicContact CB-CD2 4.15Å
471	H	93.9	Very high	89.1	Confident	6 Å²	6	23 Å²	23	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-50.4	176.5	-164.5	172.4	0	0	0	110.4	L467 N468 S469 C473 L474 I475 L546 L549 D732 M735	L467-H471 WeakPolarHBondContact O-CB 3.24Å; L467-H471 PolarHBondContact O-N 2.98Å; N468-H471 VanDerWaalsContact O-CB 3.32Å; N468-H471 WeakPolarHBondContact O-CB 3.43Å; N468-H471 PolarHBondContact O-N 3.31Å; N468-H471 VanDerWaalsContact O-N 3.16Å; S469-H471 VanDerWaalsContact C-N 3.32Å; S469-H471 PolarHBondContact O-N 3.37Å; H471-C473 VanDerWaalsContact C-N 3.32Å; H471-C473 PolarHBondContact O-N 3.39Å; H471-L474 PolarHBondContact O-N 3.05Å; H471-L474 VanDerWaalsContact O-N 3.15Å; H471-I475 WeakPolarHBondContact O-CG1 3.34Å; H471-I475 PolarHBondContact O-N 3.46Å; H471-L546 HydrophobicContact CB-CD1 3.9Å; H471-L546 HydrophobicContact CB-CG 4.28Å; H471-L549 WeakPolarHBondContact CD2-CD1 3.5Å; H471-L549 VanDerWaalsContact NE2-CD1 3.34Å; H471-L549 WeakPolarHBondContact NE2-CD1 3.4Å; H471-D732 IonicContact CE1-OD1 3.77Å; H471-D732 PolarHBondContact CE1-OD1 2.85Å; H471-D732 IonicContact NE2-OD1 3.56Å; H471-D732 PolarHBondContact NE2-OD1 2.84Å; H471-M735 HydrophobicContact CB-CE 4.29Å; H471-M735 HydrophobicContact CB-CG 3.98Å; H471-M735 HydrophobicContact CB-SD 4.46Å
472	L	92.4	Very high	89.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-41.2	177.3	-177.6	59.3	0	0	0	112.3	L298 L299 Y302 N468 S469 L474 I475 I476 F736 I739	L298-L472 HydrophobicContact CB-CD2 3.62Å; L298-L472 HydrophobicContact CB-CG 4.26Å; L299-L472 HydrophobicContact CD2-CD1 4.1Å; L299-L472 HydrophobicContact CD2-CD2 3.95Å; L299-L472 HydrophobicContact CG-CD2 4.05Å; Y302-L472 HydrophobicContact CG-CD1 4.19Å; N468-L472 PolarHBondContact O-N 2.87Å; S469-L472 PolarHBondContact O-N 3.44Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 3.17Å; L472-I475 PolarHBondContact O-N 2.89Å; L472-I476 HydrophobicContact CD1-CD1 4.42Å; L472-I476 HydrophobicContact CG-CD1 4.09Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.34Å; L472-I476 PolarHBondContact O-N 3.15Å; L472-F736 HydrophobicContact CD1-CE1 3.99Å; L472-F736 HydrophobicContact CD1-CZ 4.49Å; L472-I739 HydrophobicContact CB-CD1 3.93Å; L472-I739 HydrophobicContact CD2-CD1 3.95Å; L472-I739 HydrophobicContact CG-CD1 4.49Å
473	C	92.9	Very high	90.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-43.2	175.7	-68.6	0	0	0	0	112.6	C454 S469 C470 H471 I476 F477	C454-C473 VanDerWaalsContact SG-SG 3.66Å; S469-C473 PolarHBondContact O-N 3.46Å; S469-C473 PolarHBondContact O-SG 3.29Å; C470-C473 PolarHBondContact O-N 2.75Å; H471-C473 VanDerWaalsContact C-N 3.32Å; H471-C473 PolarHBondContact O-N 3.39Å; C473-I476 PolarHBondContact O-N 3.47Å; C473-F477 VanDerWaalsContact O-CD2 3.31Å; C473-F477 WeakPolarHBondContact O-CD2 3.17Å; C473-F477 PolarHBondContact O-N 2.82Å; C473-F477 VanDerWaalsContact O-N 3.08Å
474	L	94.9	Very high	90.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.5	-38.4	178.5	-74.1	168.1	0	0	0	111.9	M458 C470 H471 L472 I476 F477 C478 M530 F533 L546 L549 C550	M458-L474 HydrophobicContact CE-CD2 3.59Å; M458-L474 HydrophobicContact CE-CG 3.89Å; C470-L474 PolarHBondContact O-N 3.38Å; C470-L474 VanDerWaalsContact O-N 3.11Å; H471-L474 PolarHBondContact O-N 3.05Å; H471-L474 VanDerWaalsContact O-N 3.15Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 3.17Å; L474-I476 VanDerWaalsContact C-N 3.34Å; L474-F477 PolarHBondContact O-N 3.18Å; L474-C478 PolarHBondContact O-N 3.03Å; L474-C478 PolarHBondContact O-SG 2.83Å; L474-C478 VanDerWaalsContact O-SG 3.41Å; L474-M530 HydrophobicContact CD2-CE 3.93Å; L474-M530 HydrophobicContact CD2-SD 3.7Å; L474-F533 HydrophobicContact CD1-CZ 4.37Å; L474-L546 HydrophobicContact CD1-CB 3.7Å; L474-L546 HydrophobicContact CD1-CD2 4.39Å; L474-L546 HydrophobicContact CD1-CG 3.87Å; L474-L549 HydrophobicContact CB-CB 3.94Å; L474-L549 HydrophobicContact CB-CD1 4.13Å; L474-C550 HydrophobicContact CD2-CB 4.35Å
475	I	94.1	Very high	90.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-44.9	174.1	-65.7	173.3	0	0	0	110.5	Y302 H471 L472 F477 C478 C479 L549 F726 M735 F736	Y302-I475 HydrophobicContact CD2-CG2 3.62Å; Y302-I475 HydrophobicContact CE2-CG2 3.45Å; Y302-I475 VanDerWaalsContact CE2-CG2 3.45Å; H471-I475 WeakPolarHBondContact O-CG1 3.34Å; H471-I475 PolarHBondContact O-N 3.46Å; L472-I475 PolarHBondContact O-N 2.89Å; I475-F477 VanDerWaalsContact C-N 3.31Å; I475-F477 PolarHBondContact O-N 3.13Å; I475-C478 WeakPolarHBondContact O-CB 3.38Å; I475-C478 PolarHBondContact O-N 3.37Å; I475-C478 VanDerWaalsContact O-N 3.09Å; I475-C479 PolarHBondContact O-N 3.49Å; I475-C479 PolarHBondContact O-SG 3.09Å; I475-C479 VanDerWaalsContact O-SG 3.36Å; I475-L549 HydrophobicContact CG1-CD1 3.79Å; I475-L549 HydrophobicContact CG1-CD2 4.4Å; I475-F726 HydrophobicContact CB-CE2 4.31Å; I475-F726 HydrophobicContact CB-CZ 4.45Å; I475-F726 HydrophobicContact CD1-CE2 3.92Å; I475-F726 HydrophobicContact CD1-CZ 3.75Å; I475-F726 HydrophobicContact CG1-CD2 4.34Å; I475-F726 HydrophobicContact CG1-CE2 3.65Å; I475-F726 HydrophobicContact CG1-CZ 3.93Å; I475-F726 HydrophobicContact CG2-CD1 4.01Å; I475-F726 HydrophobicContact CG2-CD2 4.09Å; I475-F726 HydrophobicContact CG2-CE1 3.75Å; I475-F726 HydrophobicContact CG2-CE2 3.84Å; I475-F726 HydrophobicContact CG2-CG 4.18Å; I475-F726 HydrophobicContact CG2-CZ 3.67Å; I475-M735 HydrophobicContact CD1-CE 3.32Å; I475-F736 HydrophobicContact CD1-CE2 4.31Å; I475-F736 HydrophobicContact CD1-CZ 4.2Å
476	I	92.3	Very high	91.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-57.6	-45.4	176.3	-68.6	162.5	0	0	0	110.4	L298 L301 L450 L472 C473 L474 C478 C479 I480	L298-I476 HydrophobicContact CB-CD1 4Å; L298-I476 HydrophobicContact CD2-CD1 3.87Å; L298-I476 HydrophobicContact CG-CD1 4.49Å; L301-I476 HydrophobicContact CD2-CD1 4.36Å; L301-I476 HydrophobicContact CD2-CG2 4.11Å; L450-I476 HydrophobicContact CD2-CG2 4.31Å; L472-I476 HydrophobicContact CD1-CD1 4.42Å; L472-I476 HydrophobicContact CG-CD1 4.09Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.34Å; L472-I476 PolarHBondContact O-N 3.15Å; C473-I476 PolarHBondContact O-N 3.47Å; L474-I476 VanDerWaalsContact C-N 3.34Å; I476-C478 PolarHBondContact O-N 3.36Å; I476-C479 PolarHBondContact O-N 3.03Å; I476-I480 HydrophobicContact CG2-CD1 3.81Å; I476-I480 HydrophobicContact CG2-CG1 4.46Å; I476-I480 VanDerWaalsContact O-CG1 3.28Å; I476-I480 WeakPolarHBondContact O-CG1 3.31Å; I476-I480 PolarHBondContact O-N 3.36Å
477	F	93.4	Very high	91.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-36	175.4	-78.2	-57.4	0	0	0	113.4	L451 C454 C473 L474 I475 I480 T481 I526 L529 M530 V553	L451-F477 HydrophobicContact CD2-CE1 3.88Å; L451-F477 HydrophobicContact CD2-CZ 3.61Å; L451-F477 HydrophobicContact CG-CZ 4.39Å; C454-F477 HydrophobicContact CB-CE2 3.8Å; C454-F477 HydrophobicContact CB-CZ 4.3Å; C454-F477 WeakPolarHBondContact SG-CE2 3.23Å; C473-F477 VanDerWaalsContact O-CD2 3.31Å; C473-F477 WeakPolarHBondContact O-CD2 3.17Å; C473-F477 PolarHBondContact O-N 2.82Å; C473-F477 VanDerWaalsContact O-N 3.08Å; L474-F477 PolarHBondContact O-N 3.18Å; I475-F477 VanDerWaalsContact C-N 3.31Å; I475-F477 PolarHBondContact O-N 3.13Å; F477-I480 HydrophobicContact CD1-CD1 4.33Å; F477-I480 PolarHBondContact O-N 3.22Å; F477-T481 WeakPolarHBondContact O-CB 3.28Å; F477-T481 WeakPolarHBondContact O-CG2 3.48Å; F477-T481 PolarHBondContact O-N 3.49Å; F477-T481 PolarHBondContact O-OG1 2.69Å; F477-I526 HydrophobicContact CD1-CD1 4.4Å; F477-I526 HydrophobicContact CE1-CD1 4.33Å; F477-I526 HydrophobicContact CE1-CG1 4.23Å; F477-L529 HydrophobicContact CE2-CD2 4.09Å; F477-L529 HydrophobicContact CZ-CD2 4.36Å; F477-M530 HydrophobicContact CD2-CE 4.19Å; F477-V553 HydrophobicContact CB-CG1 4.33Å; F477-V553 HydrophobicContact CB-CG2 3.78Å
478	C	94.4	Very high	91.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-48.1	171.5	-71.9	0	0	0	0	110.8	L474 I475 I476 I480 T481 Q482 F726	L474-C478 PolarHBondContact O-N 3.03Å; L474-C478 PolarHBondContact O-SG 2.83Å; L474-C478 VanDerWaalsContact O-SG 3.41Å; I475-C478 WeakPolarHBondContact O-CB 3.38Å; I475-C478 PolarHBondContact O-N 3.37Å; I475-C478 VanDerWaalsContact O-N 3.09Å; I476-C478 PolarHBondContact O-N 3.36Å; C478-I480 VanDerWaalsContact C-N 3.32Å; C478-I480 PolarHBondContact O-N 2.72Å; C478-T481 PolarHBondContact O-N 3.25Å; C478-T481 PolarHBondContact O-OG1 3.34Å; C478-Q482 WeakPolarHBondContact O-CB 3.48Å; C478-Q482 WeakPolarHBondContact O-CG 3.17Å; C478-Q482 PolarHBondContact O-N 2.92Å; C478-F726 HydrophobicContact CB-CB 4.27Å
479	C	92.4	Very high	91.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-34.3	178.3	-64	0	0	0	0	113.3	A305 I475 I476 Q482	A305-C479 HydrophobicContact CB-CB 4.24Å; I475-C479 PolarHBondContact O-N 3.49Å; I475-C479 PolarHBondContact O-SG 3.09Å; I475-C479 VanDerWaalsContact O-SG 3.36Å; I476-C479 PolarHBondContact O-N 3.03Å; C479-Q482 VanDerWaalsContact O-CG 3.28Å; C479-Q482 WeakPolarHBondContact O-CG 3.45Å
480	I	91.2	Very high	91.7	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-71.4	-50.1	175.2	-64.7	164.5	0	0	0	110.2	L315 L450 I476 F477 C478 Q482 N483 A486 L490	L315-I480 HydrophobicContact CD2-CD1 3.51Å; L315-I480 HydrophobicContact CD2-CG1 3.91Å; L450-I480 HydrophobicContact CD2-CD1 4.32Å; I476-I480 HydrophobicContact CG2-CD1 3.81Å; I476-I480 HydrophobicContact CG2-CG1 4.46Å; I476-I480 VanDerWaalsContact O-CG1 3.28Å; I476-I480 WeakPolarHBondContact O-CG1 3.31Å; I476-I480 PolarHBondContact O-N 3.36Å; F477-I480 HydrophobicContact CD1-CD1 4.33Å; F477-I480 PolarHBondContact O-N 3.22Å; C478-I480 VanDerWaalsContact C-N 3.32Å; C478-I480 PolarHBondContact O-N 2.72Å; I480-Q482 PolarHBondContact O-N 3.45Å; I480-N483 PolarHBondContact O-N 3.37Å; I480-A486 HydrophobicContact CG2-CB 4.19Å; I480-A486 WeakPolarHBondContact O-CB 3.33Å; I480-L490 HydrophobicContact CG2-CD1 4.09Å
481	T	93.6	Very high	91.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-74	-22.3	-172.8	55.4	0	0	0	0	114.1	F477 C478 N483 C487 L490 V553 L557	F477-T481 WeakPolarHBondContact O-CB 3.28Å; F477-T481 WeakPolarHBondContact O-CG2 3.48Å; F477-T481 PolarHBondContact O-N 3.49Å; F477-T481 PolarHBondContact O-OG1 2.69Å; C478-T481 PolarHBondContact O-N 3.25Å; C478-T481 PolarHBondContact O-OG1 3.34Å; T481-N483 PolarHBondContact O-N 3.43Å; T481-C487 PolarHBondContact O-SG 2.96Å; T481-L490 HydrophobicContact CG2-CD1 4.3Å; T481-V553 HydrophobicContact CG2-CG1 4.06Å; T481-L557 HydrophobicContact CG2-CD2 3.78Å; T481-L557 HydrophobicContact CG2-CG 3.98Å
482	Q	92.6	Very high	91.4	Very high	40 Å²	40	18.3 Å²	18.3	19%	0.187	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.9	171.3	71.7	-175.8	20.1	0	0	112.5	C478 C479 I480 Q484 I723	C478-Q482 WeakPolarHBondContact O-CB 3.48Å; C478-Q482 WeakPolarHBondContact O-CG 3.17Å; C478-Q482 PolarHBondContact O-N 2.92Å; C479-Q482 VanDerWaalsContact O-CG 3.28Å; C479-Q482 WeakPolarHBondContact O-CG 3.45Å; I480-Q482 PolarHBondContact O-N 3.45Å; Q482-Q484 PolarHBondContact O-N 3.5Å; Q482-I723 HydrophobicContact CB-CG2 4Å
483	N	90	Very high	90.7	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.064	13%	0.13	C	C	.	.			trans	-84.4	116.2	179.9	-174.4	-33.9	0	0	0	111	H309 A312 I480 T481 L485 A486 C487	H309-N483 WeakPolarHBondContact CA-ND2 3.36Å; H309-N483 PolarHBondContact ND1-ND2 2.93Å; H309-N483 PolarHBondContact O-ND2 3.41Å; H309-N483 VanDerWaalsContact O-ND2 3.14Å; A312-N483 HydrophobicContact CB-CB 4.4Å; I480-N483 PolarHBondContact O-N 3.37Å; T481-N483 PolarHBondContact O-N 3.43Å; N483-L485 VanDerWaalsContact C-N 3.31Å; N483-L485 PolarHBondContact O-N 3.16Å; N483-L485 PolarHBondContact OD1-N 2.84Å; N483-A486 HydrophobicContact CB-CB 3.95Å; N483-A486 PolarHBondContact O-N 2.95Å; N483-A486 PolarHBondContact OD1-N 3.45Å; N483-C487 PolarHBondContact O-N 2.92Å
484	Q	89.7	Confident	89.9	Confident	95 Å²	95	33.1 Å²	33.1	44%	0.444	17%	0.167	S	C	.	.	H	α-helix	trans	-62	-34	-178.2	-66.2	-177.9	5.8	0	0	113.8	Q482 C487 S488 Y560 I723	Q482-Q484 PolarHBondContact O-N 3.5Å; Q484-C487 PolarHBondContact O-N 3.14Å; Q484-S488 PolarHBondContact O-N 2.98Å; Q484-Y560 HydrophobicContact CB-CE2 4.28Å; Q484-Y560 WeakPolarHBondContact O-CE2 3.48Å; Q484-I723 HydrophobicContact CG-CD1 3.61Å
485	L	89.4	Confident	88.7	Confident	104 Å²	104	34.9 Å²	34.9	55%	0.545	18%	0.178	S	C	.	.	H	α-helix	trans	-76.3	-34	179	-65.4	174.4	0	0	0	111.5	I313 N483 S488	I313-L485 HydrophobicContact CD1-CB 3.5Å; I313-L485 HydrophobicContact CD1-CD1 3.46Å; I313-L485 VanDerWaalsContact CD1-CD1 3.46Å; I313-L485 HydrophobicContact CD1-CG 4.12Å; I313-L485 HydrophobicContact CG1-CB 3.58Å; I313-L485 HydrophobicContact CG1-CD1 4.48Å; N483-L485 VanDerWaalsContact C-N 3.31Å; N483-L485 PolarHBondContact O-N 3.16Å; N483-L485 PolarHBondContact OD1-N 2.84Å; L485-S488 PolarHBondContact O-N 2.88Å; L485-S488 PolarHBondContact O-OG 3.36Å
486	A	89.7	Confident	87.3	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-45.9	168.9	0	0	0	0	0	110.2	S316 I480 N483 S488 L489 L490	S316-A486 WeakPolarHBondContact OG-CB 3.44Å; I480-A486 HydrophobicContact CG2-CB 4.19Å; I480-A486 WeakPolarHBondContact O-CB 3.33Å; N483-A486 HydrophobicContact CB-CB 3.95Å; N483-A486 PolarHBondContact O-N 2.95Å; N483-A486 PolarHBondContact OD1-N 3.45Å; A486-S488 VanDerWaalsContact C-N 3.25Å; A486-S488 PolarHBondContact O-N 3.3Å; A486-L489 WeakPolarHBondContact O-CB 3.38Å; A486-L489 PolarHBondContact O-N 3.11Å; A486-L490 WeakPolarHBondContact O-CG 3.32Å; A486-L490 PolarHBondContact O-N 3.4Å
487	C	91.3	Very high	86.3	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-31	177.4	-85.2	0	0	0	0	114	T481 N483 Q484 L489 L490 H491 Y560	T481-C487 PolarHBondContact O-SG 2.96Å; N483-C487 PolarHBondContact O-N 2.92Å; Q484-C487 PolarHBondContact O-N 3.14Å; C487-L489 VanDerWaalsContact C-N 3.31Å; C487-L489 PolarHBondContact O-N 3.25Å; C487-L490 PolarHBondContact O-N 2.98Å; C487-H491 PolarHBondContact O-N 3.13Å; C487-H491 VanDerWaalsContact O-N 3.16Å; C487-H491 PolarHBondContact O-ND1 3.49Å; C487-Y560 HydrophobicContact CB-CD1 3.85Å; C487-Y560 HydrophobicContact CB-CD2 3.46Å; C487-Y560 VanDerWaalsContact CB-CD2 3.46Å; C487-Y560 HydrophobicContact CB-CE1 4.16Å; C487-Y560 HydrophobicContact CB-CE2 3.8Å; C487-Y560 HydrophobicContact CB-CG 3.5Å; C487-Y560 WeakPolarHBondContact O-CE1 3.27Å
488	S	90.1	Very high	85.2	Confident	46 Å²	46	46.6 Å²	46.6	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-42.3	174.5	75.7	0	0	0	0	111.8	Q484 L485 A486 H491 D492 Y560	Q484-S488 PolarHBondContact O-N 2.98Å; L485-S488 PolarHBondContact O-N 2.88Å; L485-S488 PolarHBondContact O-OG 3.36Å; A486-S488 VanDerWaalsContact C-N 3.25Å; A486-S488 PolarHBondContact O-N 3.3Å; S488-H491 PolarHBondContact O-N 3.38Å; S488-D492 PolarHBondContact O-N 2.91Å; S488-Y560 WeakPolarHBondContact CA-OH 3.44Å; S488-Y560 WeakPolarHBondContact CB-OH 3.26Å; S488-Y560 PolarHBondContact N-OH 3.11Å
489	L	87.6	Confident	84.2	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-71.6	-38.6	178.3	-63.1	167.2	0	0	0	112	I313 Y317 A486 C487 H491 D492 T495	I313-L489 HydrophobicContact CG2-CD1 3.89Å; Y317-L489 HydrophobicContact CD2-CD1 3.47Å; Y317-L489 VanDerWaalsContact CD2-CD1 3.47Å; Y317-L489 HydrophobicContact CD2-CD2 4.34Å; Y317-L489 HydrophobicContact CE1-CD2 4.22Å; Y317-L489 HydrophobicContact CE2-CD1 3.54Å; Y317-L489 HydrophobicContact CE2-CD2 3.92Å; Y317-L489 HydrophobicContact CE2-CG 4.36Å; Y317-L489 HydrophobicContact CG-CD1 4.2Å; A486-L489 WeakPolarHBondContact O-CB 3.38Å; A486-L489 PolarHBondContact O-N 3.11Å; C487-L489 VanDerWaalsContact C-N 3.31Å; C487-L489 PolarHBondContact O-N 3.25Å; L489-H491 PolarHBondContact O-N 3.39Å; L489-D492 PolarHBondContact O-N 2.9Å; L489-T495 PolarHBondContact O-OG1 3.35Å
490	L	89.7	Confident	83.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-28.9	176.9	-63.6	179.3	0	0	0	112.8	L447 I480 T481 A486 C487 I522 A523 I526 L557	L447-L490 HydrophobicContact CD2-CD2 3.65Å; I480-L490 HydrophobicContact CG2-CD1 4.09Å; T481-L490 HydrophobicContact CG2-CD1 4.3Å; A486-L490 WeakPolarHBondContact O-CG 3.32Å; A486-L490 PolarHBondContact O-N 3.4Å; C487-L490 PolarHBondContact O-N 2.98Å; L490-I522 HydrophobicContact CD2-CB 4.09Å; L490-I522 HydrophobicContact CD2-CD1 4.42Å; L490-I522 HydrophobicContact CD2-CG2 3.79Å; L490-I522 PolarHBondContact O-N 3.03Å; L490-I522 VanDerWaalsContact O-N 3.07Å; L490-A523 HydrophobicContact CB-CB 4.39Å; L490-A523 WeakPolarHBondContact O-CB 3.36Å; L490-A523 PolarHBondContact O-N 3.34Å; L490-I526 HydrophobicContact CD1-CD1 3.93Å; L490-I526 HydrophobicContact CD2-CD1 4.07Å; L490-L557 HydrophobicContact CD1-CD2 4.25Å
491	H	91.1	Very high	82.6	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.046	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.8	179.5	-70.2	85.7	0	0	0	114	C487 S488 L489 A523 Y560 Q561 I566	C487-H491 PolarHBondContact O-N 3.13Å; C487-H491 VanDerWaalsContact O-N 3.16Å; C487-H491 PolarHBondContact O-ND1 3.49Å; S488-H491 PolarHBondContact O-N 3.38Å; L489-H491 PolarHBondContact O-N 3.39Å; H491-A523 WeakPolarHBondContact NE2-CB 3.49Å; H491-Y560 HydrophobicContact CB-CE1 4.37Å; H491-Y560 AromaticContact CE1-CD1 3.63Å; H491-Y560 AromaticContact CG-CD1 3.98Å; H491-Y560 AromaticContact ND1-CD1 3.38Å; H491-Y560 WeakPolarHBondContact ND1-CD1 3.45Å; H491-Y560 AromaticContact ND1-CE1 3.79Å; H491-Q561 WeakPolarHBondContact NE2-CG 3.32Å; H491-I566 HydrophobicContact CB-CD1 3.74Å
492	D	86.1	Confident	81.7	Confident	56 Å²	56	57.6 Å²	57.6	30%	0.299	29%	0.288	S	S	.	.			trans	-67.9	137	176.7	-169	-0.1	0	0	0	110.3	S488 L489 Q494 T495	S488-D492 PolarHBondContact O-N 2.91Å; L489-D492 PolarHBondContact O-N 2.9Å; D492-Q494 WeakPolarHBondContact OD1-CB 3.36Å; D492-Q494 PolarHBondContact OD1-N 3.1Å; D492-T495 HydrophobicContact CB-CG2 4.22Å; D492-T495 PolarHBondContact O-OG1 3.32Å; D492-T495 VanDerWaalsContact O-OG1 3.1Å
493	M	78.7	Confident	80.6	Confident	143 Å²	143	58.8 Å²	58.8	70%	0.704	29%	0.292	S	S	*	.	S	Bend	trans	-85.5	-18.8	174.9	-60.4	-144.4	-59.3	0	0	112.3	P521	M493-P521 HydrophobicContact CG-CG 3.94Å
494	Q	75.1	Confident	79.2	Confident	170 Å²	170	61 Å²	61	79%	0.794	31%	0.309	S	S	*	.	S	Bend	trans	-78.5	-25	-178.2	-59.3	-173.7	-1.3	0	0	111.7	D492 S496	D492-Q494 WeakPolarHBondContact OD1-CB 3.36Å; D492-Q494 PolarHBondContact OD1-N 3.1Å; Q494-S496 PolarHBondContact O-N 2.87Å; Q494-S496 VanDerWaalsContact O-N 3.13Å
495	T	69.8	Low	77.5	Confident	37 Å²	37	63.1 Å²	63.1	23%	0.227	31%	0.313	C	S	.	.			trans	-74.6	99.6	172	52.6	0	0	0	0	109.2	L489 D492	L489-T495 PolarHBondContact O-OG1 3.35Å; D492-T495 HydrophobicContact CB-CG2 4.22Å; D492-T495 PolarHBondContact O-OG1 3.32Å; D492-T495 VanDerWaalsContact O-OG1 3.1Å
496	S	65.9	Low	75.5	Confident	85 Å²	85	63.5 Å²	63.5	59%	0.594	33%	0.325	S	S	*	.			trans	-124.4	122.9	178.6	61.1	0	0	0	0	111	Q494	Q494-S496 PolarHBondContact O-N 2.87Å; Q494-S496 VanDerWaalsContact O-N 3.13Å
497	F	70	Confident	73.6	Confident	51 Å²	51	67.6 Å²	67.6	22%	0.224	34%	0.34	C	S	.	.			trans	-145.4	151	170.9	47.8	-99.6	0	0	0	109	N445 L447 A448 V499 I522	N445-F497 HydrophobicContact CB-CB 4.06Å; N445-F497 HydrophobicContact CB-CD1 4.05Å; N445-F497 HydrophobicContact CB-CD2 4.1Å; N445-F497 HydrophobicContact CB-CE1 4.48Å; N445-F497 HydrophobicContact CB-CG 3.82Å; N445-F497 VanDerWaalsContact ND2-CD1 3.27Å; N445-F497 WeakPolarHBondContact ND2-CD1 3.47Å; N445-F497 WeakPolarHBondContact ND2-CE1 3.39Å; N445-F497 WeakPolarHBondContact OD1-CZ 3.4Å; L447-F497 HydrophobicContact CB-CZ 4.2Å; L447-F497 HydrophobicContact CD2-CZ 4.27Å; L447-F497 HydrophobicContact CG-CZ 4.32Å; A448-F497 HydrophobicContact CB-CD2 3.45Å; A448-F497 VanDerWaalsContact CB-CD2 3.45Å; A448-F497 HydrophobicContact CB-CE2 3.62Å; A448-F497 HydrophobicContact CB-CG 4.46Å; F497-V499 HydrophobicContact CD2-CG2 3.57Å; F497-V499 HydrophobicContact CE2-CG2 3.53Å; F497-V499 PolarHBondContact O-N 3.07Å; F497-I522 HydrophobicContact CE1-CD1 3.49Å; F497-I522 VanDerWaalsContact CE1-CD1 3.49Å; F497-I522 HydrophobicContact CE1-CG1 4Å; F497-I522 HydrophobicContact CE2-CG1 4.32Å; F497-I522 HydrophobicContact CZ-CD1 3.39Å; F497-I522 HydrophobicContact CZ-CG1 3.58Å
498	K	71.6	Confident	71.2	Confident	110 Å²	110	78 Å²	78	48%	0.478	39%	0.385	S	S	.	.			trans	-78	121	-178.8	-69.9	-170.9	-167.5	145.3	0	110.3	E442 F517	E442-K498 WeakPolarHBondContact OE1-CD 3.49Å; E442-K498 WeakPolarHBondContact OE1-CE 3.45Å; E442-K498 IonicContact OE1-NZ 3.46Å; E442-K498 PolarHBondContact OE1-NZ 3.4Å; E442-K498 WeakPolarHBondContact OE2-CD 3.46Å; E442-K498 IonicContact OE2-NZ 2.75Å; E442-K498 PolarHBondContact OE2-NZ 3.01Å; K498-F517 HydrophobicContact CB-CE1 4.19Å; K498-F517 HydrophobicContact CD-CD1 4.04Å; K498-F517 HydrophobicContact CD-CE1 3.58Å; K498-F517 HydrophobicContact CD-CE2 4.49Å; K498-F517 HydrophobicContact CD-CZ 3.83Å; K498-F517 HydrophobicContact CG-CD1 4.07Å; K498-F517 HydrophobicContact CG-CE1 3.86Å
499	V	72.6	Confident	68.9	Low	33 Å²	33	78.4 Å²	78.4	20%	0.2	39%	0.388	C	S	.	.			trans	-110.4	127.8	173.4	-170.4	0	0	0	0	109.1	A448 L451 F497 I501 V525	A448-V499 HydrophobicContact CB-CG2 3.94Å; L451-V499 HydrophobicContact CB-CG1 3.69Å; L451-V499 HydrophobicContact CD1-CG1 4.3Å; L451-V499 HydrophobicContact CD1-CG2 4.26Å; F497-V499 HydrophobicContact CD2-CG2 3.57Å; F497-V499 HydrophobicContact CE2-CG2 3.53Å; F497-V499 PolarHBondContact O-N 3.07Å; V499-I501 HydrophobicContact CG1-CD1 3.55Å; V499-I501 HydrophobicContact CG1-CG1 4.06Å; V499-V525 HydrophobicContact CG1-CG1 4.38Å
500	R	74.9	Confident	66.8	Low	142 Å²	142	83.3 Å²	83.3	54%	0.536	41%	0.414	S	S	.	.			trans	-93.5	108.4	171.2	-174.2	-178.8	-68.9	144.1	-6.4	108.9	E452	E452-R500 WeakPolarHBondContact CB-O 3.5Å; E452-R500 HydrophobicContact CG-CB 4.39Å; E452-R500 WeakPolarHBondContact CG-O 3.49Å; E452-R500 IonicContact OE1-NH1 3.31Å
501	I	76	Confident	64.6	Low	40 Å²	40	88.2 Å²	88.2	21%	0.205	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-96.4	118.3	175.9	-58.9	-62.1	0	0	0	109.6	L451 V499 V525	L451-I501 HydrophobicContact CB-CD1 4.22Å; V499-I501 HydrophobicContact CG1-CD1 3.55Å; V499-I501 HydrophobicContact CG1-CG1 4.06Å; I501-V525 HydrophobicContact CD1-CG1 3.73Å; I501-V525 HydrophobicContact CG1-CG1 3.84Å
502	H	74.4	Confident	62.3	Low	20 Å²	20	96.5 Å²	96.5	9%	0.093	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-85.5	117.3	177.5	-64.6	-79.3	0	0	0	110.9	F259 E452 S455 Q459	F259-H502 AromaticContact CD1-NE2 3.87Å; F259-H502 AromaticContact CE1-CE1 3.93Å; F259-H502 AromaticContact CE1-CG 3.98Å; F259-H502 AromaticContact CE1-ND1 3.92Å; E452-H502 IonicContact OE1-NE2 3.32Å; E452-H502 PolarHBondContact OE1-NE2 3.29Å; S455-H502 PolarHBondContact OG-N 3.23Å; Q459-H502 PolarHBondContact NE2-O 3.29Å
503	K	69.5	Low	60.3	Low	64 Å²	64	98.1 Å²	98.1	28%	0.278	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-97.7	152.5	178.1	-60.7	-173.5	173.8	-140.3	0	112.3	R263 E532	R263-K503 PolarHBondContact NH2-O 3.37Å; K503-E532 WeakPolarHBondContact CD-OE1 3.46Å; K503-E532 WeakPolarHBondContact CE-OE1 3.14Å; K503-E532 HydrophobicContact CG-CG 4.37Å; K503-E532 IonicContact NZ-OE1 2.98Å; K503-E532 PolarHBondContact NZ-OE1 2.87Å
504	S	60.8	Low	58.8	Low	60 Å²	60	97 Å²	97	42%	0.42	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-64.6	130	173.2	-179.8	0	0	0	0	111.1	S506	S504-S506 PolarHBondContact O-N 2.82Å
505	R	53.7	Low	57.3	Low	138 Å²	138	95.3 Å²	95.3	52%	0.521	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-5.7	-173.6	-103.8	-175	179.9	-177.7	5.2	115	S272 R507	S272-R505 PolarHBondContact OG-NH1 3.2Å; S272-R505 VanDerWaalsContact OG-NH1 3.08Å; R505-R507 VanDerWaalsContact C-N 3.26Å; R505-R507 PolarHBondContact O-N 2.91Å
506	S	47.6	Very low	56.2	Low	113 Å²	113	97 Å²	97	79%	0.79	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.2	-176.7	-161.1	0	0	0	0	113.7	S504	S504-S506 PolarHBondContact O-N 2.82Å
507	R	49.6	Very low	55.8	Low	86 Å²	86	100.1 Å²	100.1	33%	0.325	50%	0.504	S	S	.	.	S	Bend	trans	-87.4	118.2	173.1	-59.9	-169.9	-137.3	-154.3	5.3	109.2	R505 S509 E532 H535	R505-R507 VanDerWaalsContact C-N 3.26Å; R505-R507 PolarHBondContact O-N 2.91Å; R507-S509 PolarHBondContact O-N 3.22Å; R507-E532 IonicContact CZ-OE1 3.97Å; R507-E532 IonicContact CZ-OE2 3.58Å; R507-E532 IonicContact NE-OE2 3.97Å; R507-E532 IonicContact NH2-OE1 3.69Å; R507-E532 PolarHBondContact NH2-OE1 3.47Å; R507-E532 IonicContact NH2-OE2 2.69Å; R507-E532 PolarHBondContact NH2-OE2 3.36Å; R507-H535 PolarHBondContact NH2-ND1 3.29Å
508	K	40.1	Very low	55.5	Low	218 Å²	218	101.5 Å²	101.5	95%	0.948	52%	0.517	S	S	*	.			trans	-63	71.4	161.2	-69	-178.7	179.6	178.1	0	108.9
509	S	42.1	Very low	55.5	Low	55 Å²	55	100.7 Å²	100.7	39%	0.385	53%	0.525	S	S	.	.			trans	-80.5	129.5	166.3	-74.7	0	0	0	0	107.7	R507	R507-S509 PolarHBondContact O-N 3.22Å
510	D	43.4	Very low	56	Low	119 Å²	119	104.7 Å²	104.7	64%	0.636	54%	0.536	S	S	*	.			trans	-52.7	126	179.1	-121.3	-29.2	0	0	0	109.3	K512 S513	D510-K512 PolarHBondContact O-N 3.16Å; D510-S513 PolarHBondContact O-N 3.08Å
511	P	43.7	Very low	56.6	Low	103 Å²	103	98.2 Å²	98.2	67%	0.669	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-58.6	-18.2	-176.7	18.3	-29.2	0	0	0	113.3	S513	P511-S513 VanDerWaalsContact C-N 3.33Å
512	K	42.6	Very low	57.2	Low	184 Å²	184	96.6 Å²	96.6	80%	0.8	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-72	-21.1	175.2	-65.5	-177.4	-179.7	177.8	0	114	D510	D510-K512 PolarHBondContact O-N 3.16Å
513	S	45.4	Very low	58	Low	89 Å²	89	95.6 Å²	95.6	62%	0.622	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-81.5	-15.3	-178.5	-154.3	0	0	0	0	113.5	D510 P511 N515	D510-S513 PolarHBondContact O-N 3.08Å; P511-S513 VanDerWaalsContact C-N 3.33Å; S513-N515 VanDerWaalsContact C-N 3.31Å; S513-N515 PolarHBondContact O-N 3.11Å
514	Y	46.1	Very low	59.1	Low	121 Å²	121	93 Å²	93	48%	0.475	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-75.8	-13.8	-175.3	-82.9	-85.4	0	0	0	114.6
515	N	42.9	Very low	60.5	Low	133 Å²	133	91.4 Å²	91.4	71%	0.711	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-109.6	1.6	-173.2	-69.9	-12.7	0	0	0	114.5	S513 F517	S513-N515 VanDerWaalsContact C-N 3.31Å; S513-N515 PolarHBondContact O-N 3.11Å; N515-F517 PolarHBondContact O-N 3.48Å
516	A	47.1	Very low	62.4	Low	73 Å²	73	84.8 Å²	84.8	60%	0.603	45%	0.451	S	S	*	.			trans	-85.4	91.6	175	0	0	0	0	0	109.5	T518	A516-T518 PolarHBondContact O-N 3.46Å
517	F	57.3	Low	64.6	Low	151 Å²	151	79.4 Å²	79.4	66%	0.662	41%	0.413	S	S	*	.			trans	-64.6	116.3	168.5	-75.2	-80.2	0	0	0	109	K498 N515	K498-F517 HydrophobicContact CB-CE1 4.19Å; K498-F517 HydrophobicContact CD-CD1 4.04Å; K498-F517 HydrophobicContact CD-CE1 3.58Å; K498-F517 HydrophobicContact CD-CE2 4.49Å; K498-F517 HydrophobicContact CD-CZ 3.83Å; K498-F517 HydrophobicContact CG-CD1 4.07Å; K498-F517 HydrophobicContact CG-CE1 3.86Å; N515-F517 PolarHBondContact O-N 3.48Å
518	T	64.3	Low	66.6	Low	80 Å²	80	77.9 Å²	77.9	49%	0.491	41%	0.411	S	S	.	.			trans	-112.9	123	170.2	61.1	0	0	0	0	108.3	A516 R520	A516-T518 PolarHBondContact O-N 3.46Å; T518-R520 PolarHBondContact O-N 3.41Å; T518-R520 PolarHBondContact OG1-NE 2.72Å
519	S	71.3	Confident	69.1	Low	93 Å²	93	67.7 Å²	67.7	65%	0.65	37%	0.367	S	S	*	.			trans	-64.2	119.3	171.1	-168.2	0	0	0	0	108.6
520	R	82.7	Confident	71.7	Confident	117 Å²	117	65.1 Å²	65.1	44%	0.442	35%	0.35	S	S	.	.			trans	-141.7	148.5	-179.5	-66.4	-176.1	-171.9	-162.4	-3	109.1	T518 M524	T518-R520 PolarHBondContact O-N 3.41Å; T518-R520 PolarHBondContact OG1-NE 2.72Å; R520-M524 HydrophobicContact CB-CB 4.5Å; R520-M524 HydrophobicContact CB-SD 3.85Å; R520-M524 HydrophobicContact CG-SD 4.02Å
521	P	87.8	Confident	74.1	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.032	32%	0.321	C	S	.	.			trans	-55.5	146.2	172.8	-27.9	37.7	0	0	0	112.2	M493 A523 M524 L568	M493-P521 HydrophobicContact CG-CG 3.94Å; P521-A523 PolarHBondContact O-N 3.09Å; P521-M524 WeakPolarHBondContact O-CB 3.46Å; P521-M524 PolarHBondContact O-N 3.26Å; P521-L568 HydrophobicContact CB-CD2 4.35Å; P521-L568 HydrophobicContact CG-CD2 3.94Å
522	I	88.7	Confident	76.4	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-32.2	-178.4	-57.7	152.1	0	0	0	111.3	L447 L451 L490 F497 M524 V525 I526	L447-I522 HydrophobicContact CD2-CD1 4.02Å; L447-I522 HydrophobicContact CD2-CG2 3.91Å; L447-I522 HydrophobicContact CG-CG2 4.38Å; L451-I522 HydrophobicContact CD1-CG2 3.8Å; L490-I522 HydrophobicContact CD2-CB 4.09Å; L490-I522 HydrophobicContact CD2-CD1 4.42Å; L490-I522 HydrophobicContact CD2-CG2 3.79Å; L490-I522 PolarHBondContact O-N 3.03Å; L490-I522 VanDerWaalsContact O-N 3.07Å; F497-I522 HydrophobicContact CE1-CD1 3.49Å; F497-I522 VanDerWaalsContact CE1-CD1 3.49Å; F497-I522 HydrophobicContact CE1-CG1 4Å; F497-I522 HydrophobicContact CE2-CG1 4.32Å; F497-I522 HydrophobicContact CZ-CD1 3.39Å; F497-I522 HydrophobicContact CZ-CG1 3.58Å; I522-M524 PolarHBondContact O-N 3.24Å; I522-V525 WeakPolarHBondContact O-CA 3.48Å; I522-V525 WeakPolarHBondContact O-CB 3.42Å; I522-V525 PolarHBondContact O-N 3.26Å; I522-I526 HydrophobicContact CG2-CD1 4.13Å; I522-I526 HydrophobicContact CG2-CG1 4.34Å; I522-I526 PolarHBondContact O-N 3.05Å
523	A	91.8	Very high	78.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-53.2	-39.2	173.2	0	0	0	0	0	112.4	L490 H491 P521 I526 L527 L557 L568	L490-A523 HydrophobicContact CB-CB 4.39Å; L490-A523 WeakPolarHBondContact O-CB 3.36Å; L490-A523 PolarHBondContact O-N 3.34Å; H491-A523 WeakPolarHBondContact NE2-CB 3.49Å; P521-A523 PolarHBondContact O-N 3.09Å; A523-I526 PolarHBondContact O-N 2.98Å; A523-L527 WeakPolarHBondContact O-CG 3.48Å; A523-L527 PolarHBondContact O-N 2.93Å; A523-L557 HydrophobicContact CB-CD2 4.18Å; A523-L568 HydrophobicContact CB-CD1 4.28Å
524	M	91.6	Very high	81	Confident	10 Å²	10	43.8 Å²	43.8	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-37.7	175.1	-66.4	-173.8	173.4	0	0	111.9	R520 P521 I522 L527 D528 L568 E569 F570	R520-M524 HydrophobicContact CB-CB 4.5Å; R520-M524 HydrophobicContact CB-SD 3.85Å; R520-M524 HydrophobicContact CG-SD 4.02Å; P521-M524 WeakPolarHBondContact O-CB 3.46Å; P521-M524 PolarHBondContact O-N 3.26Å; I522-M524 PolarHBondContact O-N 3.24Å; M524-L527 PolarHBondContact O-N 3.19Å; M524-D528 WeakPolarHBondContact O-CB 3.39Å; M524-D528 PolarHBondContact O-N 3.31Å; M524-L568 HydrophobicContact CE-CB 3.54Å; M524-L568 HydrophobicContact CE-CD2 4Å; M524-L568 HydrophobicContact CE-CG 4.2Å; M524-L568 HydrophobicContact CG-CD1 3.94Å; M524-E569 VanDerWaalsContact CE-C 3.49Å; M524-E569 HydrophobicContact CE-CB 4.43Å; M524-E569 VanDerWaalsContact CE-N 3.27Å; M524-E569 WeakPolarHBondContact CE-O 3.29Å; M524-F570 HydrophobicContact CB-CD2 4.07Å; M524-F570 HydrophobicContact CB-CE2 4.36Å; M524-F570 HydrophobicContact CE-CB 4.42Å; M524-F570 HydrophobicContact CG-CD2 4Å; M524-F570 HydrophobicContact SD-CD2 4.48Å
525	V	90	Very high	83.1	Confident	25 Å²	25	42.6 Å²	42.6	15%	0.152	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-40.7	178.3	-176.5	0	0	0	0	110.9	L451 V499 I501 I522 D528 L529	L451-V525 HydrophobicContact CD1-CG1 4.24Å; V499-V525 HydrophobicContact CG1-CG1 4.38Å; I501-V525 HydrophobicContact CD1-CG1 3.73Å; I501-V525 HydrophobicContact CG1-CG1 3.84Å; I522-V525 WeakPolarHBondContact O-CA 3.48Å; I522-V525 WeakPolarHBondContact O-CB 3.42Å; I522-V525 PolarHBondContact O-N 3.26Å; V525-D528 PolarHBondContact O-N 2.87Å; V525-L529 WeakPolarHBondContact O-CB 3.32Å; V525-L529 PolarHBondContact O-N 2.95Å
526	I	93.8	Very high	85.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-46.2	174	-66.1	168	0	0	0	110	L451 F477 L490 I522 A523 D528 L529 M530 V553 L557	L451-I526 HydrophobicContact CD2-CG1 3.78Å; F477-I526 HydrophobicContact CD1-CD1 4.4Å; F477-I526 HydrophobicContact CE1-CD1 4.33Å; F477-I526 HydrophobicContact CE1-CG1 4.23Å; L490-I526 HydrophobicContact CD1-CD1 3.93Å; L490-I526 HydrophobicContact CD2-CD1 4.07Å; I522-I526 HydrophobicContact CG2-CD1 4.13Å; I522-I526 HydrophobicContact CG2-CG1 4.34Å; I522-I526 PolarHBondContact O-N 3.05Å; A523-I526 PolarHBondContact O-N 2.98Å; I526-D528 PolarHBondContact O-N 3.44Å; I526-L529 WeakPolarHBondContact O-CB 3.4Å; I526-L529 PolarHBondContact O-N 3.24Å; I526-M530 HydrophobicContact CG2-CE 4.37Å; I526-M530 HydrophobicContact CG2-CG 4.42Å; I526-M530 WeakPolarHBondContact O-CG 3.37Å; I526-M530 PolarHBondContact O-N 3.22Å; I526-V553 HydrophobicContact CG2-CG1 3.61Å; I526-L557 HydrophobicContact CB-CD1 4.18Å; I526-L557 HydrophobicContact CG2-CD1 3.88Å
527	L	94.8	Very high	87	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-44.8	176.3	-73	169.9	0	0	0	112	A523 M524 L529 M530 I531 C554 L557 F570 W572	A523-L527 WeakPolarHBondContact O-CG 3.48Å; A523-L527 PolarHBondContact O-N 2.93Å; M524-L527 PolarHBondContact O-N 3.19Å; L527-L529 VanDerWaalsContact C-N 3.29Å; L527-L529 PolarHBondContact O-N 2.95Å; L527-M530 PolarHBondContact O-N 3.38Å; L527-I531 VanDerWaalsContact O-CG1 3.28Å; L527-I531 WeakPolarHBondContact O-CG1 3.39Å; L527-I531 PolarHBondContact O-N 2.88Å; L527-C554 HydrophobicContact CD2-CB 4.23Å; L527-L557 HydrophobicContact CD2-CD1 4.03Å; L527-L557 HydrophobicContact CG-CD1 3.92Å; L527-F570 HydrophobicContact CB-CE1 4.17Å; L527-F570 HydrophobicContact CB-CE2 3.93Å; L527-F570 HydrophobicContact CB-CZ 3.57Å; L527-F570 HydrophobicContact CD1-CD1 4.45Å; L527-F570 HydrophobicContact CD1-CE1 4.32Å; L527-F570 HydrophobicContact CD1-CZ 4.36Å; L527-W572 HydrophobicContact CD1-CH2 4.08Å; L527-W572 HydrophobicContact CD1-CZ3 4.14Å
528	D	91.9	Very high	88.5	Confident	53 Å²	53	31.3 Å²	31.3	28%	0.283	18%	0.177	S	C	.	.	H	α-helix	trans	-58.7	-42.2	175	-82.2	-26	0	0	0	111.4	M524 V525 I526 I531 E532 F570	M524-D528 WeakPolarHBondContact O-CB 3.39Å; M524-D528 PolarHBondContact O-N 3.31Å; V525-D528 PolarHBondContact O-N 2.87Å; I526-D528 PolarHBondContact O-N 3.44Å; D528-I531 PolarHBondContact O-N 3.42Å; D528-E532 WeakPolarHBondContact O-CG 3.45Å; D528-E532 PolarHBondContact O-N 3.42Å; D528-F570 WeakPolarHBondContact OD1-CE2 3.35Å
529	L	92.8	Very high	89.7	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-42.9	177	-176.8	62.8	0	0	0	112	L451 C454 M458 F477 V525 I526 L527 I531 E532 F533	L451-L529 HydrophobicContact CD2-CD2 4.26Å; C454-L529 HydrophobicContact CB-CD2 3.86Å; M458-L529 HydrophobicContact CE-CD2 4.4Å; M458-L529 HydrophobicContact SD-CD1 3.75Å; M458-L529 HydrophobicContact SD-CD2 4Å; M458-L529 HydrophobicContact SD-CG 3.65Å; F477-L529 HydrophobicContact CE2-CD2 4.09Å; F477-L529 HydrophobicContact CZ-CD2 4.36Å; V525-L529 WeakPolarHBondContact O-CB 3.32Å; V525-L529 PolarHBondContact O-N 2.95Å; I526-L529 WeakPolarHBondContact O-CB 3.4Å; I526-L529 PolarHBondContact O-N 3.24Å; L527-L529 VanDerWaalsContact C-N 3.29Å; L527-L529 PolarHBondContact O-N 2.95Å; L529-I531 VanDerWaalsContact C-N 3.35Å; L529-I531 PolarHBondContact O-N 2.96Å; L529-E532 PolarHBondContact O-N 3.4Å; L529-F533 PolarHBondContact O-N 2.86Å
530	M	96.1	Very high	90.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-42	174.5	-67.6	-50.3	107.1	0	0	111.7	M458 L474 F477 I526 L527 F533 A534 C550 V553	M458-M530 HydrophobicContact CE-CE 4.02Å; L474-M530 HydrophobicContact CD2-CE 3.93Å; L474-M530 HydrophobicContact CD2-SD 3.7Å; F477-M530 HydrophobicContact CD2-CE 4.19Å; I526-M530 HydrophobicContact CG2-CE 4.37Å; I526-M530 HydrophobicContact CG2-CG 4.42Å; I526-M530 WeakPolarHBondContact O-CG 3.37Å; I526-M530 PolarHBondContact O-N 3.22Å; L527-M530 PolarHBondContact O-N 3.38Å; M530-F533 PolarHBondContact O-N 3Å; M530-A534 WeakPolarHBondContact O-CB 3.39Å; M530-A534 PolarHBondContact O-N 3.45Å; M530-C550 HydrophobicContact SD-CB 4.18Å; M530-V553 HydrophobicContact CE-CG1 4.45Å; M530-V553 HydrophobicContact CG-CB 4.31Å; M530-V553 HydrophobicContact CG-CG1 3.96Å; M530-V553 HydrophobicContact SD-CB 4.02Å; M530-V553 HydrophobicContact SD-CG1 3.98Å; M530-V553 HydrophobicContact SD-CG2 4.35Å
531	I	94.2	Very high	90.8	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-42.6	176.2	-69	170.2	0	0	0	111.2	L527 D528 L529 A534 H535 F570 L575 V578	L527-I531 VanDerWaalsContact O-CG1 3.28Å; L527-I531 WeakPolarHBondContact O-CG1 3.39Å; L527-I531 PolarHBondContact O-N 2.88Å; D528-I531 PolarHBondContact O-N 3.42Å; L529-I531 VanDerWaalsContact C-N 3.35Å; L529-I531 PolarHBondContact O-N 2.96Å; I531-A534 PolarHBondContact O-N 2.96Å; I531-H535 WeakPolarHBondContact O-CB 3.3Å; I531-H535 PolarHBondContact O-N 2.89Å; I531-F570 HydrophobicContact CD1-CE1 3.83Å; I531-F570 HydrophobicContact CD1-CZ 3.61Å; I531-L575 HydrophobicContact CD1-CB 3.93Å; I531-L575 HydrophobicContact CD1-CD1 4.38Å; I531-L575 HydrophobicContact CG1-CB 4.31Å; I531-L575 HydrophobicContact CG1-CD1 3.92Å; I531-V578 HydrophobicContact CG1-CG2 4.29Å; I531-V578 HydrophobicContact CG2-CG1 3.97Å; I531-V578 HydrophobicContact CG2-CG2 4.36Å
532	E	90.3	Very high	91	Very high	27 Å²	27	36.5 Å²	36.5	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-42.7	176.8	-72.3	-66.1	163.3	0	0	111.6	K503 R507 D528 L529 H535 G536	K503-E532 WeakPolarHBondContact CD-OE1 3.46Å; K503-E532 WeakPolarHBondContact CE-OE1 3.14Å; K503-E532 HydrophobicContact CG-CG 4.37Å; K503-E532 IonicContact NZ-OE1 2.98Å; K503-E532 PolarHBondContact NZ-OE1 2.87Å; R507-E532 IonicContact CZ-OE1 3.97Å; R507-E532 IonicContact CZ-OE2 3.58Å; R507-E532 IonicContact NE-OE2 3.97Å; R507-E532 IonicContact NH2-OE1 3.69Å; R507-E532 PolarHBondContact NH2-OE1 3.47Å; R507-E532 IonicContact NH2-OE2 2.69Å; R507-E532 PolarHBondContact NH2-OE2 3.36Å; D528-E532 WeakPolarHBondContact O-CG 3.45Å; D528-E532 PolarHBondContact O-N 3.42Å; L529-E532 PolarHBondContact O-N 3.4Å; E532-H535 PolarHBondContact O-N 3.24Å; E532-G536 PolarHBondContact O-N 3.42Å
533	F	93.2	Very high	91.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-52.7	172.6	170.6	-94.4	0	0	0	111.3	M458 L474 L529 M530 H535 G536 H537 L546 Y547 C550	M458-F533 HydrophobicContact CB-CD2 4.47Å; M458-F533 HydrophobicContact CG-CD2 4.3Å; M458-F533 HydrophobicContact SD-CB 4.17Å; L474-F533 HydrophobicContact CD1-CZ 4.37Å; L529-F533 PolarHBondContact O-N 2.86Å; M530-F533 PolarHBondContact O-N 3Å; F533-H535 PolarHBondContact O-N 3.17Å; F533-G536 PolarHBondContact O-N 3.26Å; F533-H537 AromaticContact CD2-CD2 3.44Å; F533-H537 VanDerWaalsContact CD2-CD2 3.44Å; F533-H537 WeakPolarHBondContact CD2-CD2 3.37Å; F533-H537 AromaticContact CE2-CD2 3.57Å; F533-H537 PolarHBondContact O-CD2 3.08Å; F533-H537 VanDerWaalsContact O-CD2 3.25Å; F533-L546 HydrophobicContact CE1-CB 4.27Å; F533-L546 HydrophobicContact CE2-CB 4.37Å; F533-L546 HydrophobicContact CE2-CD2 4.2Å; F533-L546 HydrophobicContact CZ-CB 3.59Å; F533-L546 HydrophobicContact CZ-CD2 4.2Å; F533-Y547 HydrophobicContact CE1-CD1 4.22Å; F533-Y547 HydrophobicContact CE1-CD2 4.27Å; F533-Y547 HydrophobicContact CE1-CE1 4.36Å; F533-Y547 HydrophobicContact CE1-CE2 4.36Å; F533-Y547 HydrophobicContact CE1-CG 4.2Å; F533-Y547 HydrophobicContact CZ-CD2 4.46Å; F533-Y547 HydrophobicContact CZ-CE2 4.42Å; F533-C550 HydrophobicContact CD1-CB 3.92Å; F533-C550 HydrophobicContact CE1-CB 4.09Å
534	A	93	Very high	91.2	Very high	10 Å²	10	37.7 Å²	37.7	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-27.7	-175.4	0	0	0	0	0	113.3	M530 I531 Y547 V578	M530-A534 WeakPolarHBondContact O-CB 3.39Å; M530-A534 PolarHBondContact O-N 3.45Å; I531-A534 PolarHBondContact O-N 2.96Å; A534-Y547 HydrophobicContact CB-CE1 4.17Å; A534-Y547 PolarHBondContact O-OH 3.24Å; A534-V578 HydrophobicContact CB-CB 4.02Å; A534-V578 HydrophobicContact CB-CG2 4.05Å
535	H	88.7	Confident	91.4	Very high	97 Å²	97	37.6 Å²	37.6	45%	0.449	19%	0.191	S	C	.	.	H	α-helix	trans	-80	-29.1	176.8	-168.9	-90.5	0	0	0	113.2	R507 I531 E532 F533 V578	R507-H535 PolarHBondContact NH2-ND1 3.29Å; I531-H535 WeakPolarHBondContact O-CB 3.3Å; I531-H535 PolarHBondContact O-N 2.89Å; E532-H535 PolarHBondContact O-N 3.24Å; F533-H535 PolarHBondContact O-N 3.17Å; H535-V578 HydrophobicContact CB-CG1 4.04Å
536	G	84.6	Confident	91.7	Very high	46 Å²	46	36.6 Å²	36.6	47%	0.474	19%	0.185	S	C	.	.	H	α-helix	trans	-84.2	-22.8	-167.6	0	0	0	0	0	115.8	E532 F533	E532-G536 PolarHBondContact O-N 3.42Å; F533-G536 PolarHBondContact O-N 3.26Å
537	H	87.4	Confident	91.8	Very high	16 Å²	16	36.7 Å²	36.7	7%	0.074	19%	0.185	C	C	.	.			trans	-125.2	25.7	-158.3	-60.1	-56.4	0	0	0	114.7	M458 V461 F533 M539 Y547	M458-H537 PolarHBondContact O-CE1 3.07Å; M458-H537 PolarHBondContact O-NE2 3.25Å; V461-H537 HydrophobicContact CG2-CB 4.24Å; V461-H537 VanDerWaalsContact CG2-ND1 3.32Å; V461-H537 WeakPolarHBondContact CG2-ND1 3.36Å; F533-H537 AromaticContact CD2-CD2 3.44Å; F533-H537 VanDerWaalsContact CD2-CD2 3.44Å; F533-H537 WeakPolarHBondContact CD2-CD2 3.37Å; F533-H537 AromaticContact CE2-CD2 3.57Å; F533-H537 PolarHBondContact O-CD2 3.08Å; F533-H537 VanDerWaalsContact O-CD2 3.25Å; H537-M539 HydrophobicContact CB-CE 4.06Å; H537-M539 PolarHBondContact O-N 3.38Å; H537-Y547 WeakPolarHBondContact CA-OH 3.25Å; H537-Y547 HydrophobicContact CB-CE2 4.46Å; H537-Y547 PolarHBondContact O-OH 2.97Å
538	L	89.6	Confident	91.9	Very high	58 Å²	58	37.3 Å²	37.3	30%	0.304	19%	0.187	S	C	.	.			trans	-74.6	92.7	171.7	-64.7	176.9	0	0	0	108.6	L542 Y547 L582 F585	L538-L542 HydrophobicContact CD2-CD1 4.2Å; L538-Y547 HydrophobicContact CD2-CE1 4.19Å; L538-Y547 WeakPolarHBondContact CD2-OH 3.08Å; L538-Y547 PolarHBondContact N-OH 3.3Å; L538-Y547 VanDerWaalsContact N-OH 3.15Å; L538-L582 HydrophobicContact CD2-CD1 3.72Å; L538-F585 HydrophobicContact CB-CD1 4.33Å; L538-F585 HydrophobicContact CB-CD2 4.27Å; L538-F585 HydrophobicContact CB-CE1 4.37Å; L538-F585 HydrophobicContact CB-CE2 4.33Å; L538-F585 HydrophobicContact CB-CG 4.28Å; L538-F585 HydrophobicContact CB-CZ 4.39Å; L538-F585 HydrophobicContact CD1-CB 4.4Å; L538-F585 HydrophobicContact CD2-CB 4.09Å; L538-F585 HydrophobicContact CD2-CD1 3.88Å; L538-F585 HydrophobicContact CD2-CG 4.03Å
539	M	89.9	Confident	92.1	Very high	61 Å²	61	34.8 Å²	34.8	30%	0.3	17%	0.174	S	C	.	.			trans	-126.4	161.6	-176.3	66.6	-179	78.9	0	0	111.3	V461 H537 K541 L542 F585	V461-M539 HydrophobicContact CG2-CE 3.75Å; H537-M539 HydrophobicContact CB-CE 4.06Å; H537-M539 PolarHBondContact O-N 3.38Å; M539-K541 VanDerWaalsContact CG-O 3.29Å; M539-K541 WeakPolarHBondContact CG-O 3.49Å; M539-K541 PolarHBondContact O-N 2.95Å; M539-L542 PolarHBondContact O-N 3.24Å; M539-F585 WeakPolarHBondContact O-CE1 3.42Å; M539-F585 WeakPolarHBondContact O-CZ 3.41Å
540	K	87	Confident	92.3	Very high	165 Å²	165	34.8 Å²	34.8	72%	0.717	17%	0.174	S	C	*	.	S	Bend	trans	-51.4	-54	-176	-70.5	-173.9	178.1	-175.9	0	111.9	L542 L589 N593	K540-L542 PolarHBondContact O-N 3.47Å; K540-L589 WeakPolarHBondContact O-CD2 3.32Å; K540-N593 VanDerWaalsContact O-CB 3.32Å; K540-N593 WeakPolarHBondContact O-CB 3.37Å
541	K	88.5	Confident	92.4	Very high	172 Å²	172	35 Å²	35	75%	0.748	18%	0.176	S	C	*	.	S	Bend	trans	-85.9	86.3	171.5	-171	179.1	-179.6	-177.2	0	109.1	M539	M539-K541 VanDerWaalsContact CG-O 3.29Å; M539-K541 WeakPolarHBondContact CG-O 3.49Å; M539-K541 PolarHBondContact O-N 2.95Å
542	L	92	Very high	92.5	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.176	C	C	.	.			trans	-66.9	126.6	-174.2	-172.8	73.1	0	0	0	110.8	L538 M539 K540 H544 Y547 L582 F585 V586 L589 L594 L602	L538-L542 HydrophobicContact CD2-CD1 4.2Å; M539-L542 PolarHBondContact O-N 3.24Å; K540-L542 PolarHBondContact O-N 3.47Å; L542-H544 HydrophobicContact CD2-CB 4.25Å; L542-H544 HydrophobicContact CG-CB 4.43Å; L542-H544 PolarHBondContact O-N 2.88Å; L542-Y547 HydrophobicContact CD1-CD2 3.91Å; L542-Y547 HydrophobicContact CD1-CE2 3.44Å; L542-Y547 VanDerWaalsContact CD1-CE2 3.44Å; L542-Y547 HydrophobicContact CG-CD2 4.18Å; L542-Y547 HydrophobicContact CG-CE2 4.18Å; L542-L582 HydrophobicContact CD2-CD1 4.35Å; L542-F585 HydrophobicContact CD1-CD1 4.11Å; L542-F585 HydrophobicContact CD1-CE1 3.94Å; L542-V586 HydrophobicContact CD2-CG2 3.95Å; L542-L589 HydrophobicContact CB-CD1 4.07Å; L542-L589 HydrophobicContact CD2-CD1 4.09Å; L542-L594 HydrophobicContact CD2-CD2 4.07Å; L542-L602 HydrophobicContact CD2-CD2 3.74Å
543	P	92.6	Very high	92.8	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.084	17%	0.17	C	C	.	.			trans	-74.7	66.6	171.8	32.1	-35.8	0	0	0	110.3	L467 R545 L546 Y547	L467-P543 HydrophobicContact CD1-CB 4.22Å; P543-R545 VanDerWaalsContact C-N 3.32Å; P543-R545 PolarHBondContact O-N 2.69Å; P543-L546 HydrophobicContact CB-CB 4.38Å; P543-L546 HydrophobicContact CB-CD1 4.41Å; P543-L546 HydrophobicContact CB-CD2 4.3Å; P543-L546 WeakPolarHBondContact O-CB 3.33Å; P543-L546 PolarHBondContact O-N 3.32Å; P543-Y547 HydrophobicContact CG-CD2 4.27Å; P543-Y547 HydrophobicContact CG-CE2 3.99Å; P543-Y547 WeakPolarHBondContact O-CD2 3.28Å; P543-Y547 PolarHBondContact O-N 3.22Å
544	H	94	Very high	93	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-34.8	-165.5	68.5	-88	0	0	0	113.4	L542 Y547 R548 L594 D598 L602 E731	L542-H544 HydrophobicContact CD2-CB 4.25Å; L542-H544 HydrophobicContact CG-CB 4.43Å; L542-H544 PolarHBondContact O-N 2.88Å; H544-Y547 PolarHBondContact O-N 3.17Å; H544-R548 PolarHBondContact CD2-NH1 3.41Å; H544-R548 PolarHBondContact O-N 3.4Å; H544-L594 HydrophobicContact CB-CD1 3.66Å; H544-D598 IonicContact CD2-OD1 3.18Å; H544-D598 IonicContact CE1-OD2 3.49Å; H544-D598 IonicContact NE2-OD1 2.72Å; H544-D598 PolarHBondContact NE2-OD1 3.38Å; H544-D598 IonicContact NE2-OD2 3.4Å; H544-L602 HydrophobicContact CB-CD2 4.22Å; H544-E731 IonicContact CE1-OE1 2.69Å; H544-E731 PolarHBondContact CE1-OE1 3.02Å; H544-E731 IonicContact CE1-OE2 3.34Å; H544-E731 IonicContact NE2-OE1 3.62Å; H544-E731 PolarHBondContact NE2-OE1 2.73Å; H544-E731 IonicContact NE2-OE2 3.56Å
545	R	94.7	Very high	93.2	Very high	8 Å²	8	33.4 Å²	33.4	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-41.2	173.6	179.2	62.6	177.5	157.4	1	112.6	P543 Y547 R548 L549 E727 E729 E731 D732	P543-R545 VanDerWaalsContact C-N 3.32Å; P543-R545 PolarHBondContact O-N 2.69Å; R545-Y547 VanDerWaalsContact C-N 3.3Å; R545-Y547 PolarHBondContact O-N 3.49Å; R545-R548 WeakPolarHBondContact O-CB 3.48Å; R545-R548 PolarHBondContact O-N 2.91Å; R545-R548 VanDerWaalsContact O-N 3.12Å; R545-L549 HydrophobicContact CG-CD1 4.42Å; R545-L549 WeakPolarHBondContact O-CG 3.46Å; R545-L549 PolarHBondContact O-N 3.11Å; R545-E727 PolarHBondContact NH2-O 2.69Å; R545-E729 WeakPolarHBondContact CD-OE2 3.33Å; R545-E729 VanDerWaalsContact CZ-CD 3.42Å; R545-E729 IonicContact CZ-OE1 3.86Å; R545-E729 VanDerWaalsContact CZ-OE1 3.32Å; R545-E729 IonicContact CZ-OE2 3.28Å; R545-E729 IonicContact NE-OE1 2.83Å; R545-E729 IonicContact NE-OE2 2.65Å; R545-E729 VanDerWaalsContact NH1-CD 3.27Å; R545-E729 IonicContact NH1-OE1 2.69Å; R545-E729 PolarHBondContact NH1-OE1 3.14Å; R545-E729 IonicContact NH1-OE2 3.68Å; R545-E729 IonicContact NH2-OE1 2.79Å; R545-E731 WeakPolarHBondContact CB-OE2 3.43Å; R545-D732 IonicContact CZ-OD1 2.71Å; R545-D732 IonicContact CZ-OD2 3.48Å; R545-D732 IonicContact NE-OD1 3.68Å; R545-D732 PolarHBondContact NE-OD1 3.18Å; R545-D732 IonicContact NE-OD2 3.46Å; R545-D732 PolarHBondContact NE-OD2 2.9Å; R545-D732 IonicContact NH2-OD1 2.81Å; R545-D732 IonicContact NH2-OD2 3.08Å; R545-D732 PolarHBondContact NH2-OD2 3.27Å
546	L	95.5	Very high	93.5	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-37.5	175.8	-78	62.3	0	0	0	111	L467 C470 H471 L474 F533 P543 L549 C550	L467-L546 HydrophobicContact CD2-CD1 4.21Å; L467-L546 HydrophobicContact CG-CD2 4.33Å; C470-L546 HydrophobicContact CB-CD2 4.15Å; H471-L546 HydrophobicContact CB-CD1 3.9Å; H471-L546 HydrophobicContact CB-CG 4.28Å; L474-L546 HydrophobicContact CD1-CB 3.7Å; L474-L546 HydrophobicContact CD1-CD2 4.39Å; L474-L546 HydrophobicContact CD1-CG 3.87Å; F533-L546 HydrophobicContact CE1-CB 4.27Å; F533-L546 HydrophobicContact CE2-CB 4.37Å; F533-L546 HydrophobicContact CE2-CD2 4.2Å; F533-L546 HydrophobicContact CZ-CB 3.59Å; F533-L546 HydrophobicContact CZ-CD2 4.2Å; P543-L546 HydrophobicContact CB-CB 4.38Å; P543-L546 HydrophobicContact CB-CD1 4.41Å; P543-L546 HydrophobicContact CB-CD2 4.3Å; P543-L546 WeakPolarHBondContact O-CB 3.33Å; P543-L546 PolarHBondContact O-N 3.32Å; L546-L549 PolarHBondContact O-N 3.15Å; L546-C550 VanDerWaalsContact O-CB 3.29Å; L546-C550 WeakPolarHBondContact O-CB 3.28Å; L546-C550 PolarHBondContact O-N 2.97Å
547	Y	96.5	Very high	94.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-41	172	-79.4	-89.3	0	0	0	112.3	F533 A534 H537 L538 L542 P543 H544 R545 L549 C550 L551 L582	F533-Y547 HydrophobicContact CE1-CD1 4.22Å; F533-Y547 HydrophobicContact CE1-CD2 4.27Å; F533-Y547 HydrophobicContact CE1-CE1 4.36Å; F533-Y547 HydrophobicContact CE1-CE2 4.36Å; F533-Y547 HydrophobicContact CE1-CG 4.2Å; F533-Y547 HydrophobicContact CZ-CD2 4.46Å; F533-Y547 HydrophobicContact CZ-CE2 4.42Å; A534-Y547 HydrophobicContact CB-CE1 4.17Å; A534-Y547 PolarHBondContact O-OH 3.24Å; H537-Y547 WeakPolarHBondContact CA-OH 3.25Å; H537-Y547 HydrophobicContact CB-CE2 4.46Å; H537-Y547 PolarHBondContact O-OH 2.97Å; L538-Y547 HydrophobicContact CD2-CE1 4.19Å; L538-Y547 WeakPolarHBondContact CD2-OH 3.08Å; L538-Y547 PolarHBondContact N-OH 3.3Å; L538-Y547 VanDerWaalsContact N-OH 3.15Å; L542-Y547 HydrophobicContact CD1-CD2 3.91Å; L542-Y547 HydrophobicContact CD1-CE2 3.44Å; L542-Y547 VanDerWaalsContact CD1-CE2 3.44Å; L542-Y547 HydrophobicContact CG-CD2 4.18Å; L542-Y547 HydrophobicContact CG-CE2 4.18Å; P543-Y547 HydrophobicContact CG-CD2 4.27Å; P543-Y547 HydrophobicContact CG-CE2 3.99Å; P543-Y547 WeakPolarHBondContact O-CD2 3.28Å; P543-Y547 PolarHBondContact O-N 3.22Å; H544-Y547 PolarHBondContact O-N 3.17Å; R545-Y547 VanDerWaalsContact C-N 3.3Å; R545-Y547 PolarHBondContact O-N 3.49Å; Y547-L549 PolarHBondContact O-N 3.34Å; Y547-C550 WeakPolarHBondContact O-CB 3.31Å; Y547-C550 PolarHBondContact O-N 2.91Å; Y547-L551 VanDerWaalsContact O-CG 3.24Å; Y547-L551 WeakPolarHBondContact O-CG 3.45Å; Y547-L551 PolarHBondContact O-N 3.27Å; Y547-L582 HydrophobicContact CD1-CD1 3.66Å; Y547-L582 HydrophobicContact CD1-CD2 3.69Å; Y547-L582 HydrophobicContact CD1-CG 4.27Å; Y547-L582 HydrophobicContact CE1-CD1 3.76Å; Y547-L582 HydrophobicContact CE1-CD2 4.39Å; Y547-L582 HydrophobicContact CG-CD1 4.1Å; Y547-L582 HydrophobicContact CG-CD2 4.3Å
548	R	96.5	Very high	94.5	Very high	13 Å²	13	25.9 Å²	25.9	5%	0.049	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-49	173.9	-70	-164.7	-66.1	-106.9	-3.1	111.1	H544 R545 C550 L551 I552 D598 L602 E729	H544-R548 PolarHBondContact CD2-NH1 3.41Å; H544-R548 PolarHBondContact O-N 3.4Å; R545-R548 WeakPolarHBondContact O-CB 3.48Å; R545-R548 PolarHBondContact O-N 2.91Å; R545-R548 VanDerWaalsContact O-N 3.12Å; R548-C550 PolarHBondContact O-N 3.09Å; R548-L551 PolarHBondContact O-N 3.05Å; R548-L551 VanDerWaalsContact O-N 3.16Å; R548-I552 WeakPolarHBondContact O-CG1 3.4Å; R548-I552 PolarHBondContact O-N 3.35Å; R548-D598 IonicContact CZ-OD1 3.37Å; R548-D598 IonicContact NH1-OD1 3.68Å; R548-D598 PolarHBondContact NH1-OD1 2.91Å; R548-D598 IonicContact NH2-OD1 3.8Å; R548-L602 HydrophobicContact CG-CD1 3.85Å; R548-E729 IonicContact CZ-OE1 3.28Å; R548-E729 IonicContact CZ-OE2 3.64Å; R548-E729 IonicContact NE-OE1 2.87Å; R548-E729 IonicContact NE-OE2 3.86Å; R548-E729 IonicContact NH2-OE1 2.56Å; R548-E729 IonicContact NH2-OE2 3.65Å; R548-E729 PolarHBondContact NH2-OE2 3.39Å
549	L	96.9	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-44.6	177.3	-67.7	169.5	0	0	0	112.2	H471 L474 I475 R545 L546 Y547 L551 I552 V553 F726	H471-L549 WeakPolarHBondContact CD2-CD1 3.5Å; H471-L549 VanDerWaalsContact NE2-CD1 3.34Å; H471-L549 WeakPolarHBondContact NE2-CD1 3.4Å; L474-L549 HydrophobicContact CB-CB 3.94Å; L474-L549 HydrophobicContact CB-CD1 4.13Å; I475-L549 HydrophobicContact CG1-CD1 3.79Å; I475-L549 HydrophobicContact CG1-CD2 4.4Å; R545-L549 HydrophobicContact CG-CD1 4.42Å; R545-L549 WeakPolarHBondContact O-CG 3.46Å; R545-L549 PolarHBondContact O-N 3.11Å; L546-L549 PolarHBondContact O-N 3.15Å; Y547-L549 PolarHBondContact O-N 3.34Å; L549-L551 VanDerWaalsContact C-N 3.27Å; L549-L551 PolarHBondContact O-N 3.41Å; L549-I552 HydrophobicContact CD2-CD1 4.44Å; L549-I552 WeakPolarHBondContact O-CB 3.12Å; L549-I552 PolarHBondContact O-N 3.37Å; L549-I552 VanDerWaalsContact O-N 3.1Å; L549-V553 WeakPolarHBondContact O-CG2 3.39Å; L549-V553 PolarHBondContact O-N 2.77Å; L549-F726 HydrophobicContact CD2-CD2 3.94Å; L549-F726 HydrophobicContact CD2-CE2 4.04Å
550	C	97.2	Very high	95	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.027	9%	0.094	C	C	.	.	H	α-helix	trans	-55.6	-42	174.5	174.1	0	0	0	0	112.2	L474 M530 F533 L546 Y547 R548 C554	L474-C550 HydrophobicContact CD2-CB 4.35Å; M530-C550 HydrophobicContact SD-CB 4.18Å; F533-C550 HydrophobicContact CD1-CB 3.92Å; F533-C550 HydrophobicContact CE1-CB 4.09Å; L546-C550 VanDerWaalsContact O-CB 3.29Å; L546-C550 WeakPolarHBondContact O-CB 3.28Å; L546-C550 PolarHBondContact O-N 2.97Å; Y547-C550 WeakPolarHBondContact O-CB 3.31Å; Y547-C550 PolarHBondContact O-N 2.91Å; R548-C550 PolarHBondContact O-N 3.09Å; C550-C554 PolarHBondContact O-N 3.04Å; C550-C554 PolarHBondContact O-SG 2.92Å; C550-C554 VanDerWaalsContact O-SG 3.38Å
551	L	97.2	Very high	95.4	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-71.6	-34.2	177.2	-64.8	169.9	0	0	0	112.2	Y547 R548 L549 C554 Q555 I579 L582 L602 K605 S606 I609	Y547-L551 VanDerWaalsContact O-CG 3.24Å; Y547-L551 WeakPolarHBondContact O-CG 3.45Å; Y547-L551 PolarHBondContact O-N 3.27Å; R548-L551 PolarHBondContact O-N 3.05Å; R548-L551 VanDerWaalsContact O-N 3.16Å; L549-L551 VanDerWaalsContact C-N 3.27Å; L549-L551 PolarHBondContact O-N 3.41Å; L551-C554 PolarHBondContact O-N 3.18Å; L551-Q555 WeakPolarHBondContact O-CB 3.39Å; L551-Q555 PolarHBondContact O-N 3.4Å; L551-I579 HydrophobicContact CD2-CD1 4.18Å; L551-I579 HydrophobicContact CD2-CG1 3.95Å; L551-L582 HydrophobicContact CD1-CD2 4.18Å; L551-L602 HydrophobicContact CD1-CD1 3.84Å; L551-K605 HydrophobicContact CB-CG 3.77Å; L551-K605 HydrophobicContact CD1-CB 4.27Å; L551-K605 HydrophobicContact CD1-CG 4.1Å; L551-S606 WeakPolarHBondContact CD1-OG 3.37Å; L551-I609 HydrophobicContact CB-CD1 3.89Å; L551-I609 HydrophobicContact CD2-CD1 3.62Å; L551-I609 HydrophobicContact CG-CD1 4.31Å
552	I	96.6	Very high	95.7	Very high	7 Å²	7	6 Å²	6	4%	0.036	3%	0.029	C	C	.	.	H	α-helix	trans	-62.5	-46.6	173.7	-69.4	164.6	0	0	0	110.6	R548 L549 C554 Q555 N556 K605 E724	R548-I552 WeakPolarHBondContact O-CG1 3.4Å; R548-I552 PolarHBondContact O-N 3.35Å; L549-I552 HydrophobicContact CD2-CD1 4.44Å; L549-I552 WeakPolarHBondContact O-CB 3.12Å; L549-I552 PolarHBondContact O-N 3.37Å; L549-I552 VanDerWaalsContact O-N 3.1Å; I552-C554 VanDerWaalsContact C-N 3.33Å; I552-C554 PolarHBondContact O-N 3.39Å; I552-Q555 PolarHBondContact O-N 3.03Å; I552-Q555 VanDerWaalsContact O-N 3.14Å; I552-N556 WeakPolarHBondContact O-CB 3.44Å; I552-N556 PolarHBondContact O-N 3.01Å; I552-K605 HydrophobicContact CG1-CD 4.48Å; I552-E724 WeakPolarHBondContact CD1-OE1 3.09Å; I552-E724 HydrophobicContact CG2-CB 4.29Å
553	V	97.3	Very high	95.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56	-48.4	175.9	174.5	0	0	0	0	110.8	F477 T481 I526 M530 L549 Q555 N556 L557	F477-V553 HydrophobicContact CB-CG1 4.33Å; F477-V553 HydrophobicContact CB-CG2 3.78Å; T481-V553 HydrophobicContact CG2-CG1 4.06Å; I526-V553 HydrophobicContact CG2-CG1 3.61Å; M530-V553 HydrophobicContact CE-CG1 4.45Å; M530-V553 HydrophobicContact CG-CB 4.31Å; M530-V553 HydrophobicContact CG-CG1 3.96Å; M530-V553 HydrophobicContact SD-CB 4.02Å; M530-V553 HydrophobicContact SD-CG1 3.98Å; M530-V553 HydrophobicContact SD-CG2 4.35Å; L549-V553 WeakPolarHBondContact O-CG2 3.39Å; L549-V553 PolarHBondContact O-N 2.77Å; V553-Q555 PolarHBondContact O-N 2.84Å; V553-N556 PolarHBondContact O-N 3Å; V553-L557 HydrophobicContact CG1-CD1 4.48Å; V553-L557 WeakPolarHBondContact O-CG 3.34Å; V553-L557 PolarHBondContact O-N 2.61Å
554	C	97.2	Very high	95.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-59.6	-45.9	176.1	-69	0	0	0	0	112.1	L527 C550 L551 I552 L557 L558 I609	L527-C554 HydrophobicContact CD2-CB 4.23Å; C550-C554 PolarHBondContact O-N 3.04Å; C550-C554 PolarHBondContact O-SG 2.92Å; C550-C554 VanDerWaalsContact O-SG 3.38Å; L551-C554 PolarHBondContact O-N 3.18Å; I552-C554 VanDerWaalsContact C-N 3.33Å; I552-C554 PolarHBondContact O-N 3.39Å; C554-L557 PolarHBondContact O-N 2.91Å; C554-L558 WeakPolarHBondContact O-CB 3.29Å; C554-L558 VanDerWaalsContact O-CG 3.24Å; C554-L558 WeakPolarHBondContact O-CG 3.49Å; C554-L558 PolarHBondContact O-N 3.39Å; C554-I609 HydrophobicContact CB-CD1 4.3Å
555	Q	96.1	Very high	95.8	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	10%	0.097	C	C	.	.	H	α-helix	trans	-62.3	-43.8	-179.8	-176.9	64.5	19	0	0	111.8	L551 I552 V553 L557 L558 C559 I609 L720	L551-Q555 WeakPolarHBondContact O-CB 3.39Å; L551-Q555 PolarHBondContact O-N 3.4Å; I552-Q555 PolarHBondContact O-N 3.03Å; I552-Q555 VanDerWaalsContact O-N 3.14Å; V553-Q555 PolarHBondContact O-N 2.84Å; Q555-L557 VanDerWaalsContact C-N 3.35Å; Q555-L557 PolarHBondContact O-N 3.2Å; Q555-L558 WeakPolarHBondContact O-CB 3.32Å; Q555-L558 PolarHBondContact O-N 3.1Å; Q555-C559 PolarHBondContact NE2-SG 3.03Å; Q555-C559 VanDerWaalsContact NE2-SG 3.39Å; Q555-C559 WeakPolarHBondContact O-CB 3.44Å; Q555-C559 PolarHBondContact O-N 3.5Å; Q555-C559 PolarHBondContact O-SG 3.47Å; Q555-C559 VanDerWaalsContact O-SG 3.38Å; Q555-I609 HydrophobicContact CB-CG1 4.47Å; Q555-L720 PolarHBondContact NE2-O 3.15Å
556	N	96.1	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-42.4	-179.1	-75.8	-9.1	0	0	0	111.6	I552 V553 C559 Y560 E724	I552-N556 WeakPolarHBondContact O-CB 3.44Å; I552-N556 PolarHBondContact O-N 3.01Å; V553-N556 PolarHBondContact O-N 3Å; N556-C559 PolarHBondContact O-N 3.06Å; N556-Y560 PolarHBondContact O-N 3.21Å; N556-Y560 VanDerWaalsContact O-N 3.07Å; N556-E724 PolarHBondContact ND2-O 3.11Å; N556-E724 PolarHBondContact OD1-N 2.81Å; N556-E724 PolarHBondContact OD1-O 3.1Å
557	L	96.3	Very high	95.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-46.9	173.1	-66.2	174.7	0	0	0	111.4	T481 L490 A523 I526 L527 V553 C554 Q555 C559 Y560 Q561	T481-L557 HydrophobicContact CG2-CD2 3.78Å; T481-L557 HydrophobicContact CG2-CG 3.98Å; L490-L557 HydrophobicContact CD1-CD2 4.25Å; A523-L557 HydrophobicContact CB-CD2 4.18Å; I526-L557 HydrophobicContact CB-CD1 4.18Å; I526-L557 HydrophobicContact CG2-CD1 3.88Å; L527-L557 HydrophobicContact CD2-CD1 4.03Å; L527-L557 HydrophobicContact CG-CD1 3.92Å; V553-L557 HydrophobicContact CG1-CD1 4.48Å; V553-L557 WeakPolarHBondContact O-CG 3.34Å; V553-L557 PolarHBondContact O-N 2.61Å; C554-L557 PolarHBondContact O-N 2.91Å; Q555-L557 VanDerWaalsContact C-N 3.35Å; Q555-L557 PolarHBondContact O-N 3.2Å; L557-C559 PolarHBondContact O-N 3.39Å; L557-Y560 WeakPolarHBondContact O-CB 3.45Å; L557-Y560 PolarHBondContact O-N 3.34Å; L557-Q561 WeakPolarHBondContact O-CG 3.43Å; L557-Q561 PolarHBondContact O-N 3.16Å
558	L	96.1	Very high	95.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-43.6	178.3	-73.1	169.3	0	0	0	112.9	C554 Q555 Y560 Q561 K562 W572 I609 F612 F613 F620	C554-L558 WeakPolarHBondContact O-CB 3.29Å; C554-L558 VanDerWaalsContact O-CG 3.24Å; C554-L558 WeakPolarHBondContact O-CG 3.49Å; C554-L558 PolarHBondContact O-N 3.39Å; Q555-L558 WeakPolarHBondContact O-CB 3.32Å; Q555-L558 PolarHBondContact O-N 3.1Å; L558-Y560 VanDerWaalsContact C-N 3.32Å; L558-Y560 PolarHBondContact O-N 2.81Å; L558-Q561 PolarHBondContact O-N 3.47Å; L558-K562 PolarHBondContact O-N 3.23Å; L558-W572 HydrophobicContact CD2-CH2 3.68Å; L558-W572 HydrophobicContact CD2-CZ3 3.59Å; L558-I609 HydrophobicContact CD1-CG2 4.03Å; L558-F612 HydrophobicContact CB-CD1 4.08Å; L558-F612 HydrophobicContact CB-CE1 3.7Å; L558-F612 HydrophobicContact CB-CZ 4.31Å; L558-F612 WeakPolarHBondContact O-CZ 3.1Å; L558-F613 HydrophobicContact CD1-CE2 3.71Å; L558-F613 HydrophobicContact CD1-CZ 3.97Å; L558-F613 HydrophobicContact CD2-CE1 4.22Å; L558-F613 HydrophobicContact CD2-CE2 4.25Å; L558-F613 HydrophobicContact CD2-CZ 3.68Å; L558-F620 HydrophobicContact CD2-CD2 4.17Å; L558-F620 HydrophobicContact CD2-CE2 3.47Å; L558-F620 VanDerWaalsContact CD2-CE2 3.47Å; L558-F620 HydrophobicContact CD2-CZ 3.91Å
559	C	95.7	Very high	95.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-57.1	-47.2	174.5	-77.2	0	0	0	0	110.6	Q555 N556 L557 Q561 K562 M563 K722 I723	Q555-C559 PolarHBondContact NE2-SG 3.03Å; Q555-C559 VanDerWaalsContact NE2-SG 3.39Å; Q555-C559 WeakPolarHBondContact O-CB 3.44Å; Q555-C559 PolarHBondContact O-N 3.5Å; Q555-C559 PolarHBondContact O-SG 3.47Å; Q555-C559 VanDerWaalsContact O-SG 3.38Å; N556-C559 PolarHBondContact O-N 3.06Å; L557-C559 PolarHBondContact O-N 3.39Å; C559-Q561 PolarHBondContact O-N 3.07Å; C559-K562 PolarHBondContact O-N 3.46Å; C559-M563 VanDerWaalsContact O-CG 3.31Å; C559-M563 WeakPolarHBondContact O-CG 3.41Å; C559-M563 PolarHBondContact O-N 3.29Å; C559-K722 PolarHBondContact SG-O 3.39Å; C559-I723 HydrophobicContact CB-CG1 4.09Å
560	Y	95.1	Very high	94.9	Very high	18 Å²	18	37.1 Å²	37.1	7%	0.071	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-45.1	177	-171	-95.1	0	0	0	112.4	Q484 C487 S488 H491 N556 L557 L558 K562 M563 Q564 I566	Q484-Y560 HydrophobicContact CB-CE2 4.28Å; Q484-Y560 WeakPolarHBondContact O-CE2 3.48Å; C487-Y560 HydrophobicContact CB-CD1 3.85Å; C487-Y560 HydrophobicContact CB-CD2 3.46Å; C487-Y560 VanDerWaalsContact CB-CD2 3.46Å; C487-Y560 HydrophobicContact CB-CE1 4.16Å; C487-Y560 HydrophobicContact CB-CE2 3.8Å; C487-Y560 HydrophobicContact CB-CG 3.5Å; C487-Y560 WeakPolarHBondContact O-CE1 3.27Å; S488-Y560 WeakPolarHBondContact CA-OH 3.44Å; S488-Y560 WeakPolarHBondContact CB-OH 3.26Å; S488-Y560 PolarHBondContact N-OH 3.11Å; H491-Y560 HydrophobicContact CB-CE1 4.37Å; H491-Y560 AromaticContact CE1-CD1 3.63Å; H491-Y560 AromaticContact CG-CD1 3.98Å; H491-Y560 AromaticContact ND1-CD1 3.38Å; H491-Y560 WeakPolarHBondContact ND1-CD1 3.45Å; H491-Y560 AromaticContact ND1-CE1 3.79Å; N556-Y560 PolarHBondContact O-N 3.21Å; N556-Y560 VanDerWaalsContact O-N 3.07Å; L557-Y560 WeakPolarHBondContact O-CB 3.45Å; L557-Y560 PolarHBondContact O-N 3.34Å; L558-Y560 VanDerWaalsContact C-N 3.32Å; L558-Y560 PolarHBondContact O-N 2.81Å; Y560-K562 VanDerWaalsContact C-N 3.34Å; Y560-K562 PolarHBondContact O-N 3.24Å; Y560-M563 PolarHBondContact O-N 2.78Å; Y560-Q564 HydrophobicContact CD1-CG 4.29Å; Y560-Q564 HydrophobicContact CE1-CB 4.36Å; Y560-Q564 HydrophobicContact CE1-CG 3.73Å; Y560-Q564 HydrophobicContact CE2-CG 3.99Å; Y560-Q564 PolarHBondContact O-N 3.45Å; Y560-I566 HydrophobicContact CD1-CD1 4.24Å; Y560-I566 HydrophobicContact CE1-CD1 3.85Å
561	Q	95.2	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-42.9	176.9	-68.5	175.1	-81.5	0	0	112.3	H491 L557 L558 C559 K565 I566 F620	H491-Q561 WeakPolarHBondContact NE2-CG 3.32Å; L557-Q561 WeakPolarHBondContact O-CG 3.43Å; L557-Q561 PolarHBondContact O-N 3.16Å; L558-Q561 PolarHBondContact O-N 3.47Å; C559-Q561 PolarHBondContact O-N 3.07Å; Q561-K565 CarbonylContact O-C 3.42Å; Q561-K565 VanDerWaalsContact O-CA 3.26Å; Q561-K565 WeakPolarHBondContact O-CA 3.5Å; Q561-K565 PolarHBondContact O-N 2.93Å; Q561-I566 HydrophobicContact CB-CB 4.47Å; Q561-I566 HydrophobicContact CG-CB 4.46Å; Q561-I566 PolarHBondContact O-N 3.33Å; Q561-F620 HydrophobicContact CB-CB 4.07Å
562	K	94.7	Very high	94.6	Very high	21 Å²	21	40.8 Å²	40.8	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-48.5	174.6	177.2	-160.6	171.1	-174.6	0	111.1	L558 C559 Y560 Q564 K565 F612 H616 K619 F620 D721	L558-K562 PolarHBondContact O-N 3.23Å; C559-K562 PolarHBondContact O-N 3.46Å; Y560-K562 VanDerWaalsContact C-N 3.34Å; Y560-K562 PolarHBondContact O-N 3.24Å; K562-Q564 VanDerWaalsContact C-N 3.32Å; K562-Q564 PolarHBondContact O-N 3.44Å; K562-K565 PolarHBondContact O-N 3.32Å; K562-F612 HydrophobicContact CB-CE1 4.3Å; K562-F612 HydrophobicContact CB-CZ 3.63Å; K562-F612 HydrophobicContact CD-CE2 3.87Å; K562-F612 HydrophobicContact CD-CZ 3.74Å; K562-F612 HydrophobicContact CG-CZ 4.21Å; K562-H616 HydrophobicContact CD-CB 3.92Å; K562-H616 VanDerWaalsContact CE-CG 3.5Å; K562-H616 HydrophobicContact CG-CB 4.23Å; K562-H616 PolarHBondContact NZ-CD2 3.05Å; K562-H616 PolarHBondContact NZ-CE1 3.47Å; K562-H616 PolarHBondContact NZ-NE2 2.92Å; K562-K619 HydrophobicContact CG-CD 4.15Å; K562-F620 HydrophobicContact CB-CD1 4.37Å; K562-D721 HydrophobicContact CD-CB 3.99Å; K562-D721 IonicContact NZ-OD2 2.7Å; K562-D721 PolarHBondContact NZ-OD2 2.99Å
563	M	93.5	Very high	94.5	Very high	92 Å²	92	44.2 Å²	44.2	45%	0.453	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-43.8	-177.9	-73.3	178.3	71.4	0	0	111.6	C559 Y560 I723	C559-M563 VanDerWaalsContact O-CG 3.31Å; C559-M563 WeakPolarHBondContact O-CG 3.41Å; C559-M563 PolarHBondContact O-N 3.29Å; Y560-M563 PolarHBondContact O-N 2.78Å; M563-I723 HydrophobicContact SD-CD1 4.44Å
564	Q	93.7	Very high	94.4	Very high	103 Å²	103	46.2 Å²	46.2	48%	0.481	22%	0.215	S	C	.	.	H	α-helix	trans	-93.1	1.5	-178.3	-60.5	-56.6	-25.8	0	0	114.2	Y560 K562 I566	Y560-Q564 HydrophobicContact CD1-CG 4.29Å; Y560-Q564 HydrophobicContact CE1-CB 4.36Å; Y560-Q564 HydrophobicContact CE1-CG 3.73Å; Y560-Q564 HydrophobicContact CE2-CG 3.99Å; Y560-Q564 PolarHBondContact O-N 3.45Å; K562-Q564 VanDerWaalsContact C-N 3.32Å; K562-Q564 PolarHBondContact O-N 3.44Å; Q564-I566 HydrophobicContact CB-CD1 3.68Å; Q564-I566 HydrophobicContact CB-CG1 3.7Å; Q564-I566 HydrophobicContact CG-CD1 4.44Å; Q564-I566 PolarHBondContact O-N 3.24Å
565	K	93.4	Very high	94.4	Very high	161 Å²	161	46.4 Å²	46.4	70%	0.7	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.7	-176	-55.5	177.5	-177.8	175.5	0	113.1	Q561 K562	Q561-K565 CarbonylContact O-C 3.42Å; Q561-K565 VanDerWaalsContact O-CA 3.26Å; Q561-K565 WeakPolarHBondContact O-CA 3.5Å; Q561-K565 PolarHBondContact O-N 2.93Å; K562-K565 PolarHBondContact O-N 3.32Å
566	I	92.9	Very high	94.4	Very high	42 Å²	42	46.3 Å²	46.3	22%	0.215	22%	0.215	C	C	.	.			trans	-82	126.6	179.9	-61	172.2	0	0	0	108.7	H491 Y560 Q561 Q564 L568	H491-I566 HydrophobicContact CB-CD1 3.74Å; Y560-I566 HydrophobicContact CD1-CD1 4.24Å; Y560-I566 HydrophobicContact CE1-CD1 3.85Å; Q561-I566 HydrophobicContact CB-CB 4.47Å; Q561-I566 HydrophobicContact CG-CB 4.46Å; Q561-I566 PolarHBondContact O-N 3.33Å; Q564-I566 HydrophobicContact CB-CD1 3.68Å; Q564-I566 HydrophobicContact CB-CG1 3.7Å; Q564-I566 HydrophobicContact CG-CD1 4.44Å; Q564-I566 PolarHBondContact O-N 3.24Å; I566-L568 HydrophobicContact CG2-CD2 3.87Å; I566-L568 HydrophobicContact CG2-CG 4.16Å
567	R	93.4	Very high	94.4	Very high	143 Å²	143	48.9 Å²	48.9	54%	0.54	23%	0.231	S	C	.	.			trans	-109.2	97.5	178.8	-67.4	-175.7	173.8	-170.4	-5.2	110.4	D618 F620 L621	R567-D618 PolarHBondContact NH2-O 3.14Å; R567-F620 WeakPolarHBondContact CA-O 3.5Å; R567-L621 WeakPolarHBondContact CD-O 3.49Å
568	L	91.7	Very high	94.4	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	23%	0.233	C	C	.	.			trans	-82.9	130.2	178.1	-67.8	-173	0	0	0	110.2	P521 A523 M524 I566 F570 W572 Q622	P521-L568 HydrophobicContact CB-CD2 4.35Å; P521-L568 HydrophobicContact CG-CD2 3.94Å; A523-L568 HydrophobicContact CB-CD1 4.28Å; M524-L568 HydrophobicContact CE-CB 3.54Å; M524-L568 HydrophobicContact CE-CD2 4Å; M524-L568 HydrophobicContact CE-CG 4.2Å; M524-L568 HydrophobicContact CG-CD1 3.94Å; I566-L568 HydrophobicContact CG2-CD2 3.87Å; I566-L568 HydrophobicContact CG2-CG 4.16Å; L568-F570 VanDerWaalsContact C-N 3.32Å; L568-F570 HydrophobicContact CB-CB 4.43Å; L568-F570 PolarHBondContact O-N 3.4Å; L568-W572 HydrophobicContact CB-CZ2 4.39Å; L568-Q622 PolarHBondContact O-OE1 3.22Å
569	E	91.2	Very high	94.4	Very high	160 Å²	160	49.4 Å²	49.4	75%	0.748	23%	0.234	S	C	*	.			trans	-76	82.3	170.3	-167.4	179.1	-176.9	0	0	110.3	M524	M524-E569 VanDerWaalsContact CE-C 3.49Å; M524-E569 HydrophobicContact CE-CB 4.43Å; M524-E569 VanDerWaalsContact CE-N 3.27Å; M524-E569 WeakPolarHBondContact CE-O 3.29Å
570	F	92.3	Very high	94.5	Very high	7 Å²	7	50 Å²	50	3%	0.031	24%	0.237	C	C	.	.			trans	-124.8	152.7	-170.8	-172.9	-102.5	0	0	0	111.6	M524 L527 D528 I531 L568 W572 Q622	M524-F570 HydrophobicContact CB-CD2 4.07Å; M524-F570 HydrophobicContact CB-CE2 4.36Å; M524-F570 HydrophobicContact CE-CB 4.42Å; M524-F570 HydrophobicContact CG-CD2 4Å; M524-F570 HydrophobicContact SD-CD2 4.48Å; L527-F570 HydrophobicContact CB-CE1 4.17Å; L527-F570 HydrophobicContact CB-CE2 3.93Å; L527-F570 HydrophobicContact CB-CZ 3.57Å; L527-F570 HydrophobicContact CD1-CD1 4.45Å; L527-F570 HydrophobicContact CD1-CE1 4.32Å; L527-F570 HydrophobicContact CD1-CZ 4.36Å; D528-F570 WeakPolarHBondContact OD1-CE2 3.35Å; I531-F570 HydrophobicContact CD1-CE1 3.83Å; I531-F570 HydrophobicContact CD1-CZ 3.61Å; L568-F570 VanDerWaalsContact C-N 3.32Å; L568-F570 HydrophobicContact CB-CB 4.43Å; L568-F570 PolarHBondContact O-N 3.4Å; F570-W572 VanDerWaalsContact C-N 3.27Å; F570-W572 HydrophobicContact CB-CD2 4.34Å; F570-W572 HydrophobicContact CB-CZ2 4.05Å; F570-W572 AromaticContact CD1-CD2 3.76Å; F570-W572 HydrophobicContact CD1-CD2 3.76Å; F570-W572 AromaticContact CD1-CE3 3.66Å; F570-W572 HydrophobicContact CD1-CE3 3.66Å; F570-W572 HydrophobicContact CD1-CG 4.27Å; F570-W572 HydrophobicContact CD1-CH2 4.3Å; F570-W572 HydrophobicContact CD1-CZ2 4.37Å; F570-W572 AromaticContact CD1-CZ3 3.93Å; F570-W572 HydrophobicContact CD1-CZ3 3.93Å; F570-W572 HydrophobicContact CE1-CE3 4.24Å; F570-W572 HydrophobicContact CE1-CZ3 4.43Å; F570-W572 PolarHBondContact O-N 3.11Å; F570-Q622 PolarHBondContact O-NE2 3.38Å; F570-Q622 PolarHBondContact O-OE1 2.81Å; F570-Q622 VanDerWaalsContact O-OE1 3.04Å
571	D	92.9	Very high	94.5	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	25%	0.25	S	S	.	.			trans	-81.4	73.5	175.4	-178	20.3	0	0	0	111.1	K573 S574	D571-K573 PolarHBondContact O-N 3.03Å; D571-K573 VanDerWaalsContact O-N 3.15Å; D571-K573 WeakPolarHBondContact OD1-CB 3.38Å; D571-K573 PolarHBondContact OD1-N 2.9Å; D571-S574 WeakPolarHBondContact O-CB 3.08Å; D571-S574 PolarHBondContact O-N 2.98Å; D571-S574 VanDerWaalsContact O-N 3.08Å; D571-S574 WeakPolarHBondContact OD2-CB 3.01Å; D571-S574 PolarHBondContact OD2-OG 3.48Å
572	W	95.5	Very high	94.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-26.5	179.5	-60.9	104.7	0	0	0	113.3	L527 L558 L568 F570 S574 L575 W576 F613 F620 L621 V626	L527-W572 HydrophobicContact CD1-CH2 4.08Å; L527-W572 HydrophobicContact CD1-CZ3 4.14Å; L558-W572 HydrophobicContact CD2-CH2 3.68Å; L558-W572 HydrophobicContact CD2-CZ3 3.59Å; L568-W572 HydrophobicContact CB-CZ2 4.39Å; F570-W572 VanDerWaalsContact C-N 3.27Å; F570-W572 HydrophobicContact CB-CD2 4.34Å; F570-W572 HydrophobicContact CB-CZ2 4.05Å; F570-W572 AromaticContact CD1-CD2 3.76Å; F570-W572 HydrophobicContact CD1-CD2 3.76Å; F570-W572 AromaticContact CD1-CE3 3.66Å; F570-W572 HydrophobicContact CD1-CE3 3.66Å; F570-W572 HydrophobicContact CD1-CG 4.27Å; F570-W572 HydrophobicContact CD1-CH2 4.3Å; F570-W572 HydrophobicContact CD1-CZ2 4.37Å; F570-W572 AromaticContact CD1-CZ3 3.93Å; F570-W572 HydrophobicContact CD1-CZ3 3.93Å; F570-W572 HydrophobicContact CE1-CE3 4.24Å; F570-W572 HydrophobicContact CE1-CZ3 4.43Å; F570-W572 PolarHBondContact O-N 3.11Å; W572-S574 VanDerWaalsContact C-N 3.29Å; W572-S574 PolarHBondContact O-N 3.22Å; W572-L575 HydrophobicContact CE3-CD2 4.05Å; W572-L575 HydrophobicContact CZ3-CD2 4.13Å; W572-L575 WeakPolarHBondContact O-CB 3.39Å; W572-L575 PolarHBondContact O-N 2.77Å; W572-L575 VanDerWaalsContact O-N 3.14Å; W572-W576 HydrophobicContact CB-CH2 3.81Å; W572-W576 HydrophobicContact CB-CZ2 3.54Å; W572-W576 HydrophobicContact CB-CZ3 4.4Å; W572-W576 HydrophobicContact CG-CZ2 4.44Å; W572-W576 VanDerWaalsContact O-CD2 3.25Å; W572-W576 PolarHBondContact O-N 3.35Å; W572-F613 AromaticContact CD2-CE1 3.97Å; W572-F613 HydrophobicContact CD2-CE1 3.97Å; W572-F613 HydrophobicContact CD2-CZ 4.21Å; W572-F613 AromaticContact CE3-CE1 3.7Å; W572-F613 HydrophobicContact CE3-CE1 3.7Å; W572-F613 AromaticContact CE3-CZ 3.46Å; W572-F613 HydrophobicContact CE3-CZ 3.46Å; W572-F613 VanDerWaalsContact CE3-CZ 3.46Å; W572-F613 HydrophobicContact CG-CE1 4.42Å; W572-F613 HydrophobicContact CZ3-CE1 4.2Å; W572-F613 AromaticContact CZ3-CZ 3.78Å; W572-F613 HydrophobicContact CZ3-CZ 3.78Å; W572-F620 HydrophobicContact CZ2-CD2 4.46Å; W572-L621 HydrophobicContact CD2-CD2 4.13Å; W572-L621 HydrophobicContact CG-CD2 3.89Å; W572-V626 HydrophobicContact CB-CG1 4.23Å; W572-V626 HydrophobicContact CG-CG1 4.32Å
573	K	94.4	Very high	94.7	Very high	79 Å²	79	50.9 Å²	50.9	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-37.7	176.7	-173.9	174.4	-175.7	167.1	0	111.6	D571 L575 W576 T577	D571-K573 PolarHBondContact O-N 3.03Å; D571-K573 VanDerWaalsContact O-N 3.15Å; D571-K573 WeakPolarHBondContact OD1-CB 3.38Å; D571-K573 PolarHBondContact OD1-N 2.9Å; K573-L575 VanDerWaalsContact C-N 3.34Å; K573-W576 HydrophobicContact CB-CE3 4.4Å; K573-W576 PolarHBondContact O-N 3.17Å; K573-T577 WeakPolarHBondContact O-CB 3.49Å; K573-T577 PolarHBondContact O-N 3.38Å; K573-T577 PolarHBondContact O-OG1 3.44Å
574	S	94.9	Very high	94.9	Very high	42 Å²	42	52.5 Å²	52.5	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-41.8	174.5	-78.3	0	0	0	0	111.8	D571 W572 T577 V578	D571-S574 WeakPolarHBondContact O-CB 3.08Å; D571-S574 PolarHBondContact O-N 2.98Å; D571-S574 VanDerWaalsContact O-N 3.08Å; D571-S574 WeakPolarHBondContact OD2-CB 3.01Å; D571-S574 PolarHBondContact OD2-OG 3.48Å; W572-S574 VanDerWaalsContact C-N 3.29Å; W572-S574 PolarHBondContact O-N 3.22Å; S574-T577 PolarHBondContact O-N 3.43Å; S574-V578 PolarHBondContact O-N 2.94Å; S574-V578 VanDerWaalsContact O-N 3.16Å
575	L	96.3	Very high	95	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-49.8	176.1	-178.3	61.7	0	0	0	111.7	I531 W572 K573 T577 V578 I579 F613	I531-L575 HydrophobicContact CD1-CB 3.93Å; I531-L575 HydrophobicContact CD1-CD1 4.38Å; I531-L575 HydrophobicContact CG1-CB 4.31Å; I531-L575 HydrophobicContact CG1-CD1 3.92Å; W572-L575 HydrophobicContact CE3-CD2 4.05Å; W572-L575 HydrophobicContact CZ3-CD2 4.13Å; W572-L575 WeakPolarHBondContact O-CB 3.39Å; W572-L575 PolarHBondContact O-N 2.77Å; W572-L575 VanDerWaalsContact O-N 3.14Å; K573-L575 VanDerWaalsContact C-N 3.34Å; L575-T577 VanDerWaalsContact C-N 3.27Å; L575-T577 PolarHBondContact O-N 3.32Å; L575-V578 HydrophobicContact CD1-CG2 4.39Å; L575-V578 WeakPolarHBondContact O-CG2 3.38Å; L575-V578 PolarHBondContact O-N 3.37Å; L575-I579 HydrophobicContact CD1-CD1 4Å; L575-I579 HydrophobicContact CD1-CG1 4.4Å; L575-I579 HydrophobicContact CG-CD1 3.97Å; L575-I579 WeakPolarHBondContact O-CG1 3.46Å; L575-I579 PolarHBondContact O-N 3.39Å; L575-I579 VanDerWaalsContact O-N 3.14Å; L575-F613 HydrophobicContact CD2-CE2 4.13Å; L575-F613 HydrophobicContact CD2-CZ 4.03Å
576	W	96.9	Very high	95.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-38.9	178.7	-54.7	-34.7	0	0	0	111.9	W572 K573 V578 I579 L580 F610 F613 V626 N629 L630	W572-W576 HydrophobicContact CB-CH2 3.81Å; W572-W576 HydrophobicContact CB-CZ2 3.54Å; W572-W576 HydrophobicContact CB-CZ3 4.4Å; W572-W576 HydrophobicContact CG-CZ2 4.44Å; W572-W576 VanDerWaalsContact O-CD2 3.25Å; W572-W576 PolarHBondContact O-N 3.35Å; K573-W576 HydrophobicContact CB-CE3 4.4Å; K573-W576 PolarHBondContact O-N 3.17Å; W576-V578 PolarHBondContact O-N 2.92Å; W576-I579 PolarHBondContact O-N 3.08Å; W576-L580 WeakPolarHBondContact O-CB 3.47Å; W576-L580 WeakPolarHBondContact O-CD1 3.5Å; W576-L580 VanDerWaalsContact O-CG 3.29Å; W576-L580 WeakPolarHBondContact O-CG 3.24Å; W576-L580 PolarHBondContact O-N 2.89Å; W576-F610 HydrophobicContact CB-CE1 3.98Å; W576-F610 HydrophobicContact CB-CZ 3.92Å; W576-F610 AromaticContact CD1-CE1 3.91Å; W576-F610 HydrophobicContact CG-CE1 4.02Å; W576-F610 HydrophobicContact CG-CZ 4.37Å; W576-F613 AromaticContact CZ2-CD1 3.9Å; W576-F613 HydrophobicContact CZ2-CD1 3.9Å; W576-F613 HydrophobicContact CZ2-CE1 4Å; W576-F613 HydrophobicContact CZ2-CG 4.49Å; W576-F613 AromaticContact NE1-CD1 3.69Å; W576-F613 AromaticContact NE1-CD2 3.49Å; W576-F613 AromaticContact NE1-CE1 3.63Å; W576-F613 AromaticContact NE1-CE2 3.46Å; W576-F613 AromaticContact NE1-CG 3.63Å; W576-F613 AromaticContact NE1-CZ 3.55Å; W576-V626 HydrophobicContact CH2-CG1 3.72Å; W576-V626 WeakPolarHBondContact CH2-O 3.33Å; W576-V626 HydrophobicContact CZ2-CG1 4.43Å; W576-N629 HydrophobicContact CZ3-CB 4.41Å; W576-L630 HydrophobicContact CD2-CD1 3.86Å; W576-L630 HydrophobicContact CE3-CD1 4.26Å; W576-L630 HydrophobicContact CG-CD1 4.25Å; W576-L630 HydrophobicContact CH2-CB 3.73Å; W576-L630 HydrophobicContact CH2-CD1 4.45Å; W576-L630 HydrophobicContact CZ2-CB 3.99Å; W576-L630 HydrophobicContact CZ2-CD1 4.05Å; W576-L630 HydrophobicContact CZ2-CG 4.49Å; W576-L630 HydrophobicContact CZ3-CB 4.01Å
577	T	95.9	Very high	95.2	Very high	54 Å²	54	42.2 Å²	42.2	33%	0.331	21%	0.206	S	C	.	.	H	α-helix	trans	-61	-43.4	179.2	-60.2	0	0	0	0	111.8	K573 S574 L575 S581	K573-T577 WeakPolarHBondContact O-CB 3.49Å; K573-T577 PolarHBondContact O-N 3.38Å; K573-T577 PolarHBondContact O-OG1 3.44Å; S574-T577 PolarHBondContact O-N 3.43Å; L575-T577 VanDerWaalsContact C-N 3.27Å; L575-T577 PolarHBondContact O-N 3.32Å; T577-S581 VanDerWaalsContact O-CB 3.29Å; T577-S581 WeakPolarHBondContact O-CB 3.43Å; T577-S581 PolarHBondContact O-N 3.37Å; T577-S581 PolarHBondContact O-OG 3.15Å
578	V	96.1	Very high	95.2	Very high	9 Å²	9	41 Å²	41	6%	0.055	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-37.9	178.3	-64.7	0	0	0	0	112.1	I531 A534 H535 S574 L575 W576 S581 L582	I531-V578 HydrophobicContact CG1-CG2 4.29Å; I531-V578 HydrophobicContact CG2-CG1 3.97Å; I531-V578 HydrophobicContact CG2-CG2 4.36Å; A534-V578 HydrophobicContact CB-CB 4.02Å; A534-V578 HydrophobicContact CB-CG2 4.05Å; H535-V578 HydrophobicContact CB-CG1 4.04Å; S574-V578 PolarHBondContact O-N 2.94Å; S574-V578 VanDerWaalsContact O-N 3.16Å; L575-V578 HydrophobicContact CD1-CG2 4.39Å; L575-V578 WeakPolarHBondContact O-CG2 3.38Å; L575-V578 PolarHBondContact O-N 3.37Å; W576-V578 PolarHBondContact O-N 2.92Å; V578-S581 PolarHBondContact O-N 3.36Å; V578-L582 WeakPolarHBondContact O-CB 3.28Å; V578-L582 PolarHBondContact O-N 2.57Å
579	I	97.4	Very high	95.2	Very high	3 Å²	3	42 Å²	42	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-42.5	177.1	-59.8	171.9	0	0	0	110.8	L551 L575 W576 S581 L582 L583 I609 F610	L551-I579 HydrophobicContact CD2-CD1 4.18Å; L551-I579 HydrophobicContact CD2-CG1 3.95Å; L575-I579 HydrophobicContact CD1-CD1 4Å; L575-I579 HydrophobicContact CD1-CG1 4.4Å; L575-I579 HydrophobicContact CG-CD1 3.97Å; L575-I579 WeakPolarHBondContact O-CG1 3.46Å; L575-I579 PolarHBondContact O-N 3.39Å; L575-I579 VanDerWaalsContact O-N 3.14Å; W576-I579 PolarHBondContact O-N 3.08Å; I579-S581 VanDerWaalsContact C-N 3.33Å; I579-S581 PolarHBondContact O-N 2.94Å; I579-L582 WeakPolarHBondContact O-CB 3.41Å; I579-L582 PolarHBondContact O-N 3.38Å; I579-L583 HydrophobicContact CG2-CD1 4.44Å; I579-L583 WeakPolarHBondContact O-CG 3.17Å; I579-L583 PolarHBondContact O-N 3.24Å; I579-I609 HydrophobicContact CD1-CB 4.31Å; I579-I609 HydrophobicContact CD1-CD1 4.07Å; I579-I609 HydrophobicContact CD1-CG2 3.8Å; I579-F610 HydrophobicContact CB-CE2 3.93Å; I579-F610 HydrophobicContact CB-CZ 4.45Å; I579-F610 HydrophobicContact CG2-CD2 4.03Å; I579-F610 HydrophobicContact CG2-CE2 3.53Å; I579-F610 HydrophobicContact CG2-CZ 4.49Å
580	L	96.8	Very high	94.9	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-38.9	175.2	-73.1	159.9	0	0	0	111.7	W576 L582 L583 K584 F610 E633 M637 L640	W576-L580 WeakPolarHBondContact O-CB 3.47Å; W576-L580 WeakPolarHBondContact O-CD1 3.5Å; W576-L580 VanDerWaalsContact O-CG 3.29Å; W576-L580 WeakPolarHBondContact O-CG 3.24Å; W576-L580 PolarHBondContact O-N 2.89Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L583 PolarHBondContact O-N 2.7Å; L580-K584 WeakPolarHBondContact O-CB 3.49Å; L580-K584 PolarHBondContact O-N 3.47Å; L580-F610 HydrophobicContact CD1-CZ 3.9Å; L580-F610 HydrophobicContact CD2-CE2 4.04Å; L580-F610 HydrophobicContact CD2-CZ 3.94Å; L580-F610 HydrophobicContact CG-CE2 3.94Å; L580-F610 HydrophobicContact CG-CZ 3.57Å; L580-E633 HydrophobicContact CD1-CG 3.69Å; L580-M637 HydrophobicContact CD1-CG 4.1Å; L580-M637 HydrophobicContact CD2-CB 4.33Å; L580-M637 HydrophobicContact CD2-CG 4.36Å; L580-L640 HydrophobicContact CD2-CD2 4.05Å
581	S	96.1	Very high	94.4	Very high	51 Å²	51	43.8 Å²	43.8	36%	0.357	24%	0.237	S	C	.	.	H	α-helix	trans	-63.9	-40.6	175	-61.1	0	0	0	0	111.4	T577 V578 I579 K584 F585	T577-S581 VanDerWaalsContact O-CB 3.29Å; T577-S581 WeakPolarHBondContact O-CB 3.43Å; T577-S581 PolarHBondContact O-N 3.37Å; T577-S581 PolarHBondContact O-OG 3.15Å; V578-S581 PolarHBondContact O-N 3.36Å; I579-S581 VanDerWaalsContact C-N 3.33Å; I579-S581 PolarHBondContact O-N 2.94Å; S581-K584 PolarHBondContact O-N 3.45Å; S581-F585 WeakPolarHBondContact O-CB 3.37Å; S581-F585 PolarHBondContact O-N 3.14Å
582	L	96.9	Very high	93.9	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-51.6	173.7	178.9	64.2	0	0	0	111.4	L538 L542 Y547 L551 V578 I579 L580 K584 F585 V586 L602	L538-L582 HydrophobicContact CD2-CD1 3.72Å; L542-L582 HydrophobicContact CD2-CD1 4.35Å; Y547-L582 HydrophobicContact CD1-CD1 3.66Å; Y547-L582 HydrophobicContact CD1-CD2 3.69Å; Y547-L582 HydrophobicContact CD1-CG 4.27Å; Y547-L582 HydrophobicContact CE1-CD1 3.76Å; Y547-L582 HydrophobicContact CE1-CD2 4.39Å; Y547-L582 HydrophobicContact CG-CD1 4.1Å; Y547-L582 HydrophobicContact CG-CD2 4.3Å; L551-L582 HydrophobicContact CD1-CD2 4.18Å; V578-L582 WeakPolarHBondContact O-CB 3.28Å; V578-L582 PolarHBondContact O-N 2.57Å; I579-L582 WeakPolarHBondContact O-CB 3.41Å; I579-L582 PolarHBondContact O-N 3.38Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L582-K584 VanDerWaalsContact C-N 3.3Å; L582-K584 PolarHBondContact O-N 3.42Å; L582-F585 WeakPolarHBondContact O-CB 3.46Å; L582-F585 PolarHBondContact O-N 3.1Å; L582-V586 HydrophobicContact CD1-CG2 4.04Å; L582-V586 HydrophobicContact CG-CG2 4.31Å; L582-V586 VanDerWaalsContact O-CG2 3.3Å; L582-V586 WeakPolarHBondContact O-CG2 3.28Å; L582-V586 PolarHBondContact O-N 3.16Å; L582-L602 HydrophobicContact CD1-CD2 4.12Å; L582-L602 HydrophobicContact CD2-CD1 4.13Å; L582-L602 HydrophobicContact CD2-CD2 4.34Å; L582-L602 HydrophobicContact CD2-CG 4.22Å; L582-L602 HydrophobicContact CG-CD2 4.43Å
583	L	97.1	Very high	93.5	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-45.3	177.6	-78.4	172	0	0	0	111.9	I579 L580 F585 V586 L587 M603 L607 F610 L640 L644	I579-L583 HydrophobicContact CG2-CD1 4.44Å; I579-L583 WeakPolarHBondContact O-CG 3.17Å; I579-L583 PolarHBondContact O-N 3.24Å; L580-L583 PolarHBondContact O-N 2.7Å; L583-F585 VanDerWaalsContact C-N 3.33Å; L583-F585 PolarHBondContact O-N 3.31Å; L583-V586 PolarHBondContact O-N 3.45Å; L583-L587 WeakPolarHBondContact O-CB 3.45Å; L583-L587 PolarHBondContact O-N 3.31Å; L583-M603 HydrophobicContact CD2-CB 4.07Å; L583-M603 HydrophobicContact CD2-CG 3.97Å; L583-L607 HydrophobicContact CD1-CD2 4.34Å; L583-F610 HydrophobicContact CD1-CD2 4.48Å; L583-F610 HydrophobicContact CD1-CE2 4.37Å; L583-L640 HydrophobicContact CB-CD2 4.39Å; L583-L644 HydrophobicContact CB-CD1 4.16Å; L583-L644 HydrophobicContact CD1-CD1 4.26Å; L583-L644 HydrophobicContact CD2-CD1 4.3Å; L583-L644 HydrophobicContact CG-CD1 4.49Å
584	K	96.5	Very high	93.3	Very high	127 Å²	127	46.1 Å²	46.1	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-62.3	-40	175.3	-174.8	177	179.7	178.7	0	111.9	L580 S581 L582 N588 L640	L580-K584 WeakPolarHBondContact O-CB 3.49Å; L580-K584 PolarHBondContact O-N 3.47Å; S581-K584 PolarHBondContact O-N 3.45Å; L582-K584 VanDerWaalsContact C-N 3.3Å; L582-K584 PolarHBondContact O-N 3.42Å; K584-N588 PolarHBondContact O-N 3.39Å; K584-N588 PolarHBondContact O-ND2 2.96Å; K584-L640 HydrophobicContact CB-CD1 3.97Å; K584-L640 HydrophobicContact CB-CD2 4.08Å; K584-L640 HydrophobicContact CG-CD1 4.36Å
585	F	95.8	Very high	93.2	Very high	57 Å²	57	50.5 Å²	50.5	25%	0.25	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-48	178.6	-172.1	-104.5	0	0	0	111.5	L538 M539 L542 S581 L582 L583 L587 N588 L589	L538-F585 HydrophobicContact CB-CD1 4.33Å; L538-F585 HydrophobicContact CB-CD2 4.27Å; L538-F585 HydrophobicContact CB-CE1 4.37Å; L538-F585 HydrophobicContact CB-CE2 4.33Å; L538-F585 HydrophobicContact CB-CG 4.28Å; L538-F585 HydrophobicContact CB-CZ 4.39Å; L538-F585 HydrophobicContact CD1-CB 4.4Å; L538-F585 HydrophobicContact CD2-CB 4.09Å; L538-F585 HydrophobicContact CD2-CD1 3.88Å; L538-F585 HydrophobicContact CD2-CG 4.03Å; M539-F585 WeakPolarHBondContact O-CE1 3.42Å; M539-F585 WeakPolarHBondContact O-CZ 3.41Å; L542-F585 HydrophobicContact CD1-CD1 4.11Å; L542-F585 HydrophobicContact CD1-CE1 3.94Å; S581-F585 WeakPolarHBondContact O-CB 3.37Å; S581-F585 PolarHBondContact O-N 3.14Å; L582-F585 WeakPolarHBondContact O-CB 3.46Å; L582-F585 PolarHBondContact O-N 3.1Å; L583-F585 VanDerWaalsContact C-N 3.33Å; L583-F585 PolarHBondContact O-N 3.31Å; F585-L587 VanDerWaalsContact C-N 3.33Å; F585-L587 PolarHBondContact O-N 3.41Å; F585-N588 CarbonylContact O-C 3.52Å; F585-N588 PolarHBondContact O-N 2.98Å; F585-N588 VanDerWaalsContact O-N 3.08Å; F585-L589 HydrophobicContact CD1-CD1 3.63Å; F585-L589 HydrophobicContact CD1-CG 4.02Å; F585-L589 HydrophobicContact CE1-CD1 3.47Å; F585-L589 VanDerWaalsContact CE1-CD1 3.47Å; F585-L589 HydrophobicContact CE1-CD2 3.88Å; F585-L589 HydrophobicContact CE1-CG 3.78Å; F585-L589 HydrophobicContact CZ-CD1 4.37Å; F585-L589 HydrophobicContact CZ-CD2 3.97Å; F585-L589 HydrophobicContact CZ-CG 4.23Å; F585-L589 PolarHBondContact O-N 3.34Å
586	V	95.7	Very high	93.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-42.3	179.2	175.8	0	0	0	0	111.6	L542 L582 L583 N588 L589 L594 A599 L602 M603	L542-V586 HydrophobicContact CD2-CG2 3.95Å; L582-V586 HydrophobicContact CD1-CG2 4.04Å; L582-V586 HydrophobicContact CG-CG2 4.31Å; L582-V586 VanDerWaalsContact O-CG2 3.3Å; L582-V586 WeakPolarHBondContact O-CG2 3.28Å; L582-V586 PolarHBondContact O-N 3.16Å; L583-V586 PolarHBondContact O-N 3.45Å; V586-N588 PolarHBondContact O-N 3.16Å; V586-L589 PolarHBondContact O-N 3.49Å; V586-L594 HydrophobicContact CG1-CD2 4.01Å; V586-L594 HydrophobicContact CG2-CD2 4.47Å; V586-A599 HydrophobicContact CG1-CB 3.73Å; V586-L602 HydrophobicContact CG2-CD2 3.76Å; V586-L602 HydrophobicContact CG2-CG 4.41Å; V586-M603 HydrophobicContact CB-CE 4.41Å; V586-M603 HydrophobicContact CG1-CE 3.67Å; V586-M603 HydrophobicContact CG1-CG 4.14Å
587	L	94.7	Very high	92.9	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-29.6	176.7	179.8	64.3	0	0	0	113.4	L583 F585 M603 L640 N643 L644 Y647	L583-L587 WeakPolarHBondContact O-CB 3.45Å; L583-L587 PolarHBondContact O-N 3.31Å; F585-L587 VanDerWaalsContact C-N 3.33Å; F585-L587 PolarHBondContact O-N 3.41Å; L587-M603 HydrophobicContact CB-CE 4.39Å; L587-M603 HydrophobicContact CD1-CE 4.5Å; L587-L640 HydrophobicContact CD2-CD1 3.95Å; L587-N643 HydrophobicContact CD2-CB 3.7Å; L587-L644 HydrophobicContact CB-CD2 4.09Å; L587-L644 HydrophobicContact CD1-CD2 4.26Å; L587-L644 HydrophobicContact CD2-CD2 4.25Å; L587-L644 HydrophobicContact CD2-CG 4.33Å; L587-L644 HydrophobicContact CG-CD2 4.43Å; L587-Y647 HydrophobicContact CD1-CD1 4.18Å; L587-Y647 HydrophobicContact CD1-CD2 3.92Å; L587-Y647 HydrophobicContact CD1-CG 3.66Å
588	N	93.4	Very high	92.9	Very high	117 Å²	117	51.9 Å²	51.9	63%	0.626	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	4.9	-177.1	-67.9	-65.1	0	0	0	113.4	K584 F585 V586	K584-N588 PolarHBondContact O-N 3.39Å; K584-N588 PolarHBondContact O-ND2 2.96Å; F585-N588 CarbonylContact O-C 3.52Å; F585-N588 PolarHBondContact O-N 2.98Å; F585-N588 VanDerWaalsContact O-N 3.08Å; V586-N588 PolarHBondContact O-N 3.16Å
589	L	91.6	Very high	92.9	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.152	27%	0.274	C	S	.	.	S	Bend	trans	-84	135.9	177.4	-88	171	0	0	0	111.1	K540 L542 F585 V586 N593 L594	K540-L589 WeakPolarHBondContact O-CD2 3.32Å; L542-L589 HydrophobicContact CB-CD1 4.07Å; L542-L589 HydrophobicContact CD2-CD1 4.09Å; F585-L589 HydrophobicContact CD1-CD1 3.63Å; F585-L589 HydrophobicContact CD1-CG 4.02Å; F585-L589 HydrophobicContact CE1-CD1 3.47Å; F585-L589 VanDerWaalsContact CE1-CD1 3.47Å; F585-L589 HydrophobicContact CE1-CD2 3.88Å; F585-L589 HydrophobicContact CE1-CG 3.78Å; F585-L589 HydrophobicContact CZ-CD1 4.37Å; F585-L589 HydrophobicContact CZ-CD2 3.97Å; F585-L589 HydrophobicContact CZ-CG 4.23Å; F585-L589 PolarHBondContact O-N 3.34Å; V586-L589 PolarHBondContact O-N 3.49Å; L589-N593 HydrophobicContact CD2-CB 4.1Å; L589-L594 HydrophobicContact CD1-CB 4.31Å; L589-L594 HydrophobicContact CD1-CD2 4.07Å
590	D	86.2	Confident	92.8	Very high	107 Å²	107	51.5 Å²	51.5	57%	0.572	27%	0.273	S	S	*	.			trans	-67.7	147.7	172.2	-60.3	-42.4	0	0	0	111.7	N592 N593 L594	D590-N592 PolarHBondContact O-N 2.89Å; D590-N592 VanDerWaalsContact O-N 3.08Å; D590-N593 WeakPolarHBondContact O-CB 3.47Å; D590-N593 PolarHBondContact O-N 3.47Å; D590-L594 PolarHBondContact O-N 2.94Å
591	C	81.2	Confident	92.8	Very high	96 Å²	96	54.4 Å²	54.4	65%	0.649	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.1	177.9	58.1	0	0	0	0	114.3	N593 L594	C591-N593 PolarHBondContact O-N 3.44Å; C591-L594 CarbonylContact C-O 3.59Å; C591-L594 WeakPolarHBondContact CA-O 3.35Å; C591-L594 CarbonylContact O-C 3.58Å
592	N	82.3	Confident	92.8	Very high	151 Å²	151	52 Å²	52	81%	0.807	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.4	173.5	-67.4	-27.2	0	0	0	112.8	D590	D590-N592 PolarHBondContact O-N 2.89Å; D590-N592 VanDerWaalsContact O-N 3.08Å
593	N	86.9	Confident	92.8	Very high	57 Å²	57	51.9 Å²	51.9	31%	0.305	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-26.2	-175.3	-72.8	-44.7	0	0	0	112.7	K540 L589 D590 C591	K540-N593 VanDerWaalsContact O-CB 3.32Å; K540-N593 WeakPolarHBondContact O-CB 3.37Å; L589-N593 HydrophobicContact CD2-CB 4.1Å; D590-N593 WeakPolarHBondContact O-CB 3.47Å; D590-N593 PolarHBondContact O-N 3.47Å; C591-N593 PolarHBondContact O-N 3.44Å
594	L	90.3	Very high	92.8	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.052	28%	0.275	C	S	.	.	S	Bend	trans	-147.7	125.4	175.7	-179	60.5	0	0	0	109.1	L542 H544 V586 L589 D590 C591 D598 A599	L542-L594 HydrophobicContact CD2-CD2 4.07Å; H544-L594 HydrophobicContact CB-CD1 3.66Å; V586-L594 HydrophobicContact CG1-CD2 4.01Å; V586-L594 HydrophobicContact CG2-CD2 4.47Å; L589-L594 HydrophobicContact CD1-CB 4.31Å; L589-L594 HydrophobicContact CD1-CD2 4.07Å; D590-L594 PolarHBondContact O-N 2.94Å; C591-L594 CarbonylContact C-O 3.59Å; C591-L594 WeakPolarHBondContact CA-O 3.35Å; C591-L594 CarbonylContact O-C 3.58Å; L594-D598 HydrophobicContact CD1-CB 3.73Å; L594-D598 HydrophobicContact CG-CB 4.49Å; L594-A599 HydrophobicContact CD2-CB 3.69Å; L594-A599 HydrophobicContact CG-CB 3.99Å
595	Q	92.7	Very high	92.8	Very high	135 Å²	135	48.1 Å²	48.1	63%	0.631	25%	0.252	S	S	*	.			trans	-63.7	143.8	177.4	-62.3	-170	2.4	0	0	110.3	L597 D598 A599	Q595-L597 VanDerWaalsContact C-N 3.27Å; Q595-L597 PolarHBondContact O-N 3.12Å; Q595-D598 PolarHBondContact O-N 2.95Å; Q595-D598 VanDerWaalsContact O-N 3.1Å; Q595-A599 PolarHBondContact O-N 3Å
596	L	93.7	Very high	92.8	Very high	41 Å²	41	45.5 Å²	45.5	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-55.7	-41	-176.2	175.1	60.4	0	0	0	112.5	A599 L600 Y647 I659	L596-A599 PolarHBondContact O-N 2.69Å; L596-L600 HydrophobicContact CD1-CD1 4.02Å; L596-L600 HydrophobicContact CD1-CG 4.13Å; L596-L600 HydrophobicContact CG-CD1 4.05Å; L596-L600 VanDerWaalsContact O-CG 3.31Å; L596-L600 WeakPolarHBondContact O-CG 3.43Å; L596-L600 PolarHBondContact O-N 2.87Å; L596-Y647 HydrophobicContact CD1-CE1 4.17Å; L596-Y647 WeakPolarHBondContact CD1-OH 3.37Å; L596-I659 HydrophobicContact CD2-CD1 4.17Å; L596-I659 HydrophobicContact CD2-CG2 4.01Å; L596-I659 HydrophobicContact CG-CG2 4.39Å
597	L	94.4	Very high	92.9	Very high	28 Å²	28	45.4 Å²	45.4	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-44.2	178.8	-177.1	61.6	0	0	0	111.6	Q595 L600 K601 E658 I659 V662	Q595-L597 VanDerWaalsContact C-N 3.27Å; Q595-L597 PolarHBondContact O-N 3.12Å; L597-L600 PolarHBondContact O-N 3.37Å; L597-K601 HydrophobicContact CG-CD 4.45Å; L597-K601 WeakPolarHBondContact O-CG 3.47Å; L597-K601 PolarHBondContact O-N 3.23Å; L597-E658 HydrophobicContact CD1-CB 4.3Å; L597-E658 HydrophobicContact CD2-CB 4.44Å; L597-E658 WeakPolarHBondContact CD2-OE2 3.44Å; L597-I659 HydrophobicContact CB-CG1 4.36Å; L597-I659 HydrophobicContact CD1-CG1 4.27Å; L597-V662 HydrophobicContact CD1-CB 4.39Å; L597-V662 HydrophobicContact CD1-CG2 3.94Å
598	D	94.7	Very high	92.9	Very high	20 Å²	20	46 Å²	46	11%	0.107	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-37.6	178.3	-68	-52.3	0	0	0	112.6	H544 R548 L594 Q595 K601 L602	H544-D598 IonicContact CD2-OD1 3.18Å; H544-D598 IonicContact CE1-OD2 3.49Å; H544-D598 IonicContact NE2-OD1 2.72Å; H544-D598 PolarHBondContact NE2-OD1 3.38Å; H544-D598 IonicContact NE2-OD2 3.4Å; R548-D598 IonicContact CZ-OD1 3.37Å; R548-D598 IonicContact NH1-OD1 3.68Å; R548-D598 PolarHBondContact NH1-OD1 2.91Å; R548-D598 IonicContact NH2-OD1 3.8Å; L594-D598 HydrophobicContact CD1-CB 3.73Å; L594-D598 HydrophobicContact CG-CB 4.49Å; Q595-D598 PolarHBondContact O-N 2.95Å; Q595-D598 VanDerWaalsContact O-N 3.1Å; D598-K601 PolarHBondContact O-N 2.72Å; D598-L602 VanDerWaalsContact O-CB 3.32Å; D598-L602 WeakPolarHBondContact O-CB 3.1Å; D598-L602 PolarHBondContact O-N 3.36Å
599	A	95.9	Very high	93.1	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-49.2	171.9	0	0	0	0	0	110.9	V586 L594 Q595 L596 L602 M603	V586-A599 HydrophobicContact CG1-CB 3.73Å; L594-A599 HydrophobicContact CD2-CB 3.69Å; L594-A599 HydrophobicContact CG-CB 3.99Å; Q595-A599 PolarHBondContact O-N 3Å; L596-A599 PolarHBondContact O-N 2.69Å; A599-L602 PolarHBondContact O-N 2.89Å; A599-M603 VanDerWaalsContact O-CG 3.32Å; A599-M603 WeakPolarHBondContact O-CG 3.48Å; A599-M603 PolarHBondContact O-N 2.95Å
600	L	96.7	Very high	93.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-42.7	179.3	-70.7	168.9	0	0	0	112.3	L596 L597 L602 M603 E604 Y647 H651 I659 V662 A663 V666	L596-L600 HydrophobicContact CD1-CD1 4.02Å; L596-L600 HydrophobicContact CD1-CG 4.13Å; L596-L600 HydrophobicContact CG-CD1 4.05Å; L596-L600 VanDerWaalsContact O-CG 3.31Å; L596-L600 WeakPolarHBondContact O-CG 3.43Å; L596-L600 PolarHBondContact O-N 2.87Å; L597-L600 PolarHBondContact O-N 3.37Å; L600-L602 VanDerWaalsContact C-N 3.29Å; L600-L602 PolarHBondContact O-N 2.89Å; L600-M603 HydrophobicContact CD2-SD 4.46Å; L600-M603 WeakPolarHBondContact O-CB 3.29Å; L600-M603 PolarHBondContact O-N 3.27Å; L600-E604 WeakPolarHBondContact O-CB 3.16Å; L600-E604 PolarHBondContact O-N 3.41Å; L600-Y647 HydrophobicContact CD2-CE1 4.32Å; L600-H651 HydrophobicContact CD1-CB 4.41Å; L600-I659 HydrophobicContact CD1-CG2 3.85Å; L600-V662 HydrophobicContact CB-CB 4.46Å; L600-V662 HydrophobicContact CB-CG1 3.68Å; L600-A663 HydrophobicContact CD1-CB 4.01Å; L600-A663 HydrophobicContact CD2-CB 4.34Å; L600-V666 WeakPolarHBondContact O-CG2 3.43Å
601	K	95.9	Very high	93.8	Very high	72 Å²	72	34 Å²	34	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-60.3	-39.6	174.6	-75.1	179.8	175.9	-176.8	0	111.9	L597 D598 E604 K605 V662	L597-K601 HydrophobicContact CG-CD 4.45Å; L597-K601 WeakPolarHBondContact O-CG 3.47Å; L597-K601 PolarHBondContact O-N 3.23Å; D598-K601 PolarHBondContact O-N 2.72Å; K601-E604 PolarHBondContact O-N 3.23Å; K601-K605 PolarHBondContact O-N 3.06Å; K601-V662 HydrophobicContact CG-CG1 4.11Å; K601-V662 HydrophobicContact CG-CG2 4.37Å
602	L	96.5	Very high	94.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-70.7	-37.5	178.1	-171.7	57.7	0	0	0	112.1	L542 H544 R548 L551 L582 V586 D598 A599 L600 S606	L542-L602 HydrophobicContact CD2-CD2 3.74Å; H544-L602 HydrophobicContact CB-CD2 4.22Å; R548-L602 HydrophobicContact CG-CD1 3.85Å; L551-L602 HydrophobicContact CD1-CD1 3.84Å; L582-L602 HydrophobicContact CD1-CD2 4.12Å; L582-L602 HydrophobicContact CD2-CD1 4.13Å; L582-L602 HydrophobicContact CD2-CD2 4.34Å; L582-L602 HydrophobicContact CD2-CG 4.22Å; L582-L602 HydrophobicContact CG-CD2 4.43Å; V586-L602 HydrophobicContact CG2-CD2 3.76Å; V586-L602 HydrophobicContact CG2-CG 4.41Å; D598-L602 VanDerWaalsContact O-CB 3.32Å; D598-L602 WeakPolarHBondContact O-CB 3.1Å; D598-L602 PolarHBondContact O-N 3.36Å; A599-L602 PolarHBondContact O-N 2.89Å; L600-L602 VanDerWaalsContact C-N 3.29Å; L600-L602 PolarHBondContact O-N 2.89Å; L602-S606 WeakPolarHBondContact O-CB 3.48Å; L602-S606 PolarHBondContact O-N 3.4Å; L602-S606 VanDerWaalsContact O-N 3.08Å; L602-S606 PolarHBondContact O-OG 3.06Å
603	M	97.5	Very high	95.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-48.6	171	-70.4	-178.7	-169.8	0	0	111	L583 V586 L587 A599 L600 K605 S606 L607 L644 Y647 V666	L583-M603 HydrophobicContact CD2-CB 4.07Å; L583-M603 HydrophobicContact CD2-CG 3.97Å; V586-M603 HydrophobicContact CB-CE 4.41Å; V586-M603 HydrophobicContact CG1-CE 3.67Å; V586-M603 HydrophobicContact CG1-CG 4.14Å; L587-M603 HydrophobicContact CB-CE 4.39Å; L587-M603 HydrophobicContact CD1-CE 4.5Å; A599-M603 VanDerWaalsContact O-CG 3.32Å; A599-M603 WeakPolarHBondContact O-CG 3.48Å; A599-M603 PolarHBondContact O-N 2.95Å; L600-M603 HydrophobicContact CD2-SD 4.46Å; L600-M603 WeakPolarHBondContact O-CB 3.29Å; L600-M603 PolarHBondContact O-N 3.27Å; M603-K605 VanDerWaalsContact C-N 3.34Å; M603-K605 PolarHBondContact O-N 3.26Å; M603-S606 WeakPolarHBondContact O-CB 3.43Å; M603-S606 PolarHBondContact O-N 3.1Å; M603-L607 WeakPolarHBondContact O-CB 3.43Å; M603-L607 WeakPolarHBondContact O-CD1 3.24Å; M603-L607 WeakPolarHBondContact O-CG 3.49Å; M603-L607 PolarHBondContact O-N 3.23Å; M603-L644 HydrophobicContact CE-CD2 3.92Å; M603-L644 HydrophobicContact CG-CD2 4.37Å; M603-L644 HydrophobicContact SD-CD2 3.77Å; M603-Y647 HydrophobicContact CE-CD1 3.88Å; M603-Y647 HydrophobicContact CE-CE1 3.75Å; M603-Y647 HydrophobicContact SD-CD1 4.24Å; M603-Y647 HydrophobicContact SD-CE1 4.38Å; M603-V666 HydrophobicContact CB-CG1 4.32Å; M603-V666 HydrophobicContact CB-CG2 4.41Å
604	E	96.3	Very high	95.5	Very high	40 Å²	40	19.5 Å²	19.5	19%	0.187	9%	0.094	C	C	.	.	H	α-helix	trans	-53.7	-52.2	177.3	-169.7	-170.9	171.4	0	0	110.7	L600 K601 S606 L607 Q608 C665 V666 Q669	L600-E604 WeakPolarHBondContact O-CB 3.16Å; L600-E604 PolarHBondContact O-N 3.41Å; K601-E604 PolarHBondContact O-N 3.23Å; E604-S606 VanDerWaalsContact C-N 3.32Å; E604-S606 PolarHBondContact O-N 3.49Å; E604-L607 PolarHBondContact O-N 3.5Å; E604-L607 VanDerWaalsContact O-N 3.15Å; E604-Q608 WeakPolarHBondContact O-CG 3.39Å; E604-Q608 PolarHBondContact O-N 3.5Å; E604-Q608 PolarHBondContact OE1-NE2 3.11Å; E604-C665 PolarHBondContact OE1-SG 3.34Å; E604-V666 HydrophobicContact CB-CG2 3.69Å; E604-V666 HydrophobicContact CG-CG2 4.32Å; E604-Q669 VanDerWaalsContact CG-NE2 3.32Å; E604-Q669 PolarHBondContact O-OE1 3.27Å; E604-Q669 VanDerWaalsContact O-OE1 3.11Å
605	K	95.7	Very high	95.7	Very high	12 Å²	12	20.7 Å²	20.7	5%	0.052	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-38.9	-177.6	-170.3	62.4	-171.1	169.8	0	112.9	L551 I552 K601 M603 L607 Q608 I609 E724	L551-K605 HydrophobicContact CB-CG 3.77Å; L551-K605 HydrophobicContact CD1-CB 4.27Å; L551-K605 HydrophobicContact CD1-CG 4.1Å; I552-K605 HydrophobicContact CG1-CD 4.48Å; K601-K605 PolarHBondContact O-N 3.06Å; M603-K605 VanDerWaalsContact C-N 3.34Å; M603-K605 PolarHBondContact O-N 3.26Å; K605-L607 VanDerWaalsContact C-N 3.34Å; K605-Q608 VanDerWaalsContact NZ-OE1 3.12Å; K605-Q608 PolarHBondContact O-N 2.9Å; K605-I609 PolarHBondContact O-N 2.8Å; K605-E724 WeakPolarHBondContact CE-OE2 3.29Å; K605-E724 IonicContact NZ-OE2 3.11Å; K605-E724 PolarHBondContact NZ-OE2 3.41Å
606	S	97.4	Very high	95.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-40.5	176	-61	0	0	0	0	112	L551 L602 M603 E604 I609 F610	L551-S606 WeakPolarHBondContact CD1-OG 3.37Å; L602-S606 WeakPolarHBondContact O-CB 3.48Å; L602-S606 PolarHBondContact O-N 3.4Å; L602-S606 VanDerWaalsContact O-N 3.08Å; L602-S606 PolarHBondContact O-OG 3.06Å; M603-S606 WeakPolarHBondContact O-CB 3.43Å; M603-S606 PolarHBondContact O-N 3.1Å; E604-S606 VanDerWaalsContact C-N 3.32Å; E604-S606 PolarHBondContact O-N 3.49Å; S606-I609 PolarHBondContact O-N 3.26Å; S606-F610 PolarHBondContact O-N 2.97Å
607	L	96.9	Very high	95.8	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-74.9	-29.1	-179.8	-70.3	164.6	0	0	0	112.8	L583 M603 E604 K605 I609 F610 N611 V666 Q669 L670 L673	L583-L607 HydrophobicContact CD1-CD2 4.34Å; M603-L607 WeakPolarHBondContact O-CB 3.43Å; M603-L607 WeakPolarHBondContact O-CD1 3.24Å; M603-L607 WeakPolarHBondContact O-CG 3.49Å; M603-L607 PolarHBondContact O-N 3.23Å; E604-L607 PolarHBondContact O-N 3.5Å; E604-L607 VanDerWaalsContact O-N 3.15Å; K605-L607 VanDerWaalsContact C-N 3.34Å; L607-I609 VanDerWaalsContact C-N 3.31Å; L607-I609 PolarHBondContact O-N 3.43Å; L607-F610 PolarHBondContact O-N 3.2Å; L607-N611 WeakPolarHBondContact O-CB 3.22Å; L607-N611 PolarHBondContact O-N 3.36Å; L607-N611 PolarHBondContact O-ND2 3.04Å; L607-V666 HydrophobicContact CD1-CG1 3.7Å; L607-Q669 HydrophobicContact CB-CB 4.09Å; L607-L670 HydrophobicContact CD1-CD1 4.1Å; L607-L670 HydrophobicContact CD1-CD2 3.96Å; L607-L670 HydrophobicContact CD1-CG 3.66Å; L607-L670 HydrophobicContact CD2-CD2 3.6Å; L607-L670 HydrophobicContact CD2-CG 4.14Å; L607-L670 HydrophobicContact CG-CD2 4.44Å; L607-L673 HydrophobicContact CD2-CD2 3.8Å
608	Q	95.7	Very high	95.6	Very high	43 Å²	43	16.4 Å²	16.4	20%	0.201	8%	0.081	C	C	.	.	H	α-helix	trans	-59.4	-44.7	172.5	-74.7	175.6	3.5	0	0	110.4	E604 K605 F610 N611 F612 L720	E604-Q608 WeakPolarHBondContact O-CG 3.39Å; E604-Q608 PolarHBondContact O-N 3.5Å; E604-Q608 PolarHBondContact OE1-NE2 3.11Å; K605-Q608 VanDerWaalsContact NZ-OE1 3.12Å; K605-Q608 PolarHBondContact O-N 2.9Å; Q608-F610 PolarHBondContact O-N 3.41Å; Q608-N611 PolarHBondContact O-N 3.36Å; Q608-F612 WeakPolarHBondContact O-CB 3.34Å; Q608-F612 PolarHBondContact O-N 3.39Å; Q608-L720 HydrophobicContact CB-CD2 4.09Å; Q608-L720 HydrophobicContact CG-CD2 4.22Å
609	I	96.2	Very high	95.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-46.6	176.3	-64.5	178.6	0	0	0	110.6	L551 C554 Q555 L558 I579 K605 S606 L607 N611 F612 F613	L551-I609 HydrophobicContact CB-CD1 3.89Å; L551-I609 HydrophobicContact CD2-CD1 3.62Å; L551-I609 HydrophobicContact CG-CD1 4.31Å; C554-I609 HydrophobicContact CB-CD1 4.3Å; Q555-I609 HydrophobicContact CB-CG1 4.47Å; L558-I609 HydrophobicContact CD1-CG2 4.03Å; I579-I609 HydrophobicContact CD1-CB 4.31Å; I579-I609 HydrophobicContact CD1-CD1 4.07Å; I579-I609 HydrophobicContact CD1-CG2 3.8Å; K605-I609 PolarHBondContact O-N 2.8Å; S606-I609 PolarHBondContact O-N 3.26Å; L607-I609 VanDerWaalsContact C-N 3.31Å; L607-I609 PolarHBondContact O-N 3.43Å; I609-N611 PolarHBondContact O-N 2.89Å; I609-F612 WeakPolarHBondContact O-CB 3.33Å; I609-F612 PolarHBondContact O-N 2.91Å; I609-F612 VanDerWaalsContact O-N 3.16Å; I609-F613 HydrophobicContact CG2-CD2 3.87Å; I609-F613 HydrophobicContact CG2-CE2 3.65Å; I609-F613 VanDerWaalsContact O-CD2 3.28Å; I609-F613 WeakPolarHBondContact O-CD2 3.45Å; I609-F613 PolarHBondContact O-N 3.27Å
610	F	96.6	Very high	95.4	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-46.4	177.7	-90	-66.7	0	0	0	112.6	W576 I579 L580 L583 S606 L607 Q608 F612 F613 I614 L630 L634 L673	W576-F610 HydrophobicContact CB-CE1 3.98Å; W576-F610 HydrophobicContact CB-CZ 3.92Å; W576-F610 AromaticContact CD1-CE1 3.91Å; W576-F610 HydrophobicContact CG-CE1 4.02Å; W576-F610 HydrophobicContact CG-CZ 4.37Å; I579-F610 HydrophobicContact CB-CE2 3.93Å; I579-F610 HydrophobicContact CB-CZ 4.45Å; I579-F610 HydrophobicContact CG2-CD2 4.03Å; I579-F610 HydrophobicContact CG2-CE2 3.53Å; I579-F610 HydrophobicContact CG2-CZ 4.49Å; L580-F610 HydrophobicContact CD1-CZ 3.9Å; L580-F610 HydrophobicContact CD2-CE2 4.04Å; L580-F610 HydrophobicContact CD2-CZ 3.94Å; L580-F610 HydrophobicContact CG-CE2 3.94Å; L580-F610 HydrophobicContact CG-CZ 3.57Å; L583-F610 HydrophobicContact CD1-CD2 4.48Å; L583-F610 HydrophobicContact CD1-CE2 4.37Å; S606-F610 PolarHBondContact O-N 2.97Å; L607-F610 PolarHBondContact O-N 3.2Å; Q608-F610 PolarHBondContact O-N 3.41Å; F610-F612 VanDerWaalsContact C-N 3.26Å; F610-F612 PolarHBondContact O-N 2.95Å; F610-F613 PolarHBondContact O-N 3.21Å; F610-I614 WeakPolarHBondContact O-CD1 3.43Å; F610-I614 VanDerWaalsContact O-CG1 3.29Å; F610-I614 WeakPolarHBondContact O-CG1 3.32Å; F610-I614 PolarHBondContact O-N 3.07Å; F610-L630 HydrophobicContact CD1-CD1 3.98Å; F610-L630 HydrophobicContact CE1-CD1 3.93Å; F610-L634 HydrophobicContact CD1-CD2 4.09Å; F610-L634 HydrophobicContact CE1-CD2 4.28Å; F610-L673 HydrophobicContact CB-CD2 4.37Å
611	N	96.1	Very high	95.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-31.9	176.9	-79.8	-68.7	0	0	0	112.2	L607 Q608 I609 I614 L615 Q669 T672 L673 L717 L720	L607-N611 WeakPolarHBondContact O-CB 3.22Å; L607-N611 PolarHBondContact O-N 3.36Å; L607-N611 PolarHBondContact O-ND2 3.04Å; Q608-N611 PolarHBondContact O-N 3.36Å; I609-N611 PolarHBondContact O-N 2.89Å; N611-I614 PolarHBondContact O-N 3.46Å; N611-L615 WeakPolarHBondContact O-CB 3.36Å; N611-L615 WeakPolarHBondContact O-CG 3.13Å; N611-L615 PolarHBondContact O-N 3.48Å; N611-Q669 PolarHBondContact ND2-O 3.35Å; N611-T672 WeakPolarHBondContact OD1-CB 3.34Å; N611-T672 WeakPolarHBondContact OD1-CG2 3.44Å; N611-L673 WeakPolarHBondContact OD1-CD1 3.49Å; N611-L717 HydrophobicContact CB-CD1 3.64Å; N611-L717 VanDerWaalsContact OD1-CD1 3.23Å; N611-L717 WeakPolarHBondContact OD1-CD1 3.38Å; N611-L720 HydrophobicContact CB-CD1 3.85Å; N611-L720 HydrophobicContact CB-CD2 4.27Å
612	F	95.8	Very high	95.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-47.3	171.8	-172.2	-88.8	0	0	0	111.8	L558 K562 Q608 I609 F610 I614 L615 H616 F620 L720 D721	L558-F612 HydrophobicContact CB-CD1 4.08Å; L558-F612 HydrophobicContact CB-CE1 3.7Å; L558-F612 HydrophobicContact CB-CZ 4.31Å; L558-F612 WeakPolarHBondContact O-CZ 3.1Å; K562-F612 HydrophobicContact CB-CE1 4.3Å; K562-F612 HydrophobicContact CB-CZ 3.63Å; K562-F612 HydrophobicContact CD-CE2 3.87Å; K562-F612 HydrophobicContact CD-CZ 3.74Å; K562-F612 HydrophobicContact CG-CZ 4.21Å; Q608-F612 WeakPolarHBondContact O-CB 3.34Å; Q608-F612 PolarHBondContact O-N 3.39Å; I609-F612 WeakPolarHBondContact O-CB 3.33Å; I609-F612 PolarHBondContact O-N 2.91Å; I609-F612 VanDerWaalsContact O-N 3.16Å; F610-F612 VanDerWaalsContact C-N 3.26Å; F610-F612 PolarHBondContact O-N 2.95Å; F612-I614 PolarHBondContact O-N 3.49Å; F612-L615 PolarHBondContact O-N 3.48Å; F612-H616 AromaticContact CD2-CD2 3.79Å; F612-H616 AromaticContact CE2-CD2 3.81Å; F612-H616 WeakPolarHBondContact O-CB 3.34Å; F612-H616 PolarHBondContact O-N 3.49Å; F612-F620 AromaticContact CD1-CE1 3.74Å; F612-F620 HydrophobicContact CD1-CE1 3.74Å; F612-F620 AromaticContact CD1-CZ 3.9Å; F612-F620 HydrophobicContact CD1-CZ 3.9Å; F612-F620 HydrophobicContact CE1-CD1 4.02Å; F612-F620 AromaticContact CE1-CE1 3.37Å; F612-F620 HydrophobicContact CE1-CE1 3.37Å; F612-F620 AromaticContact CE1-CZ 3.8Å; F612-F620 HydrophobicContact CE1-CZ 3.8Å; F612-F620 HydrophobicContact CZ-CE1 4.43Å; F612-L720 HydrophobicContact CD2-CB 4.32Å; F612-L720 WeakPolarHBondContact CD2-O 3.44Å; F612-D721 HydrophobicContact CE2-CB 4.13Å
613	F	96.1	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-43.5	173.8	-81.4	-81.8	0	0	0	112	L558 W572 L575 W576 I609 F610 G617 F620 L621 Y627 L630	L558-F613 HydrophobicContact CD1-CE2 3.71Å; L558-F613 HydrophobicContact CD1-CZ 3.97Å; L558-F613 HydrophobicContact CD2-CE1 4.22Å; L558-F613 HydrophobicContact CD2-CE2 4.25Å; L558-F613 HydrophobicContact CD2-CZ 3.68Å; W572-F613 AromaticContact CD2-CE1 3.97Å; W572-F613 HydrophobicContact CD2-CE1 3.97Å; W572-F613 HydrophobicContact CD2-CZ 4.21Å; W572-F613 AromaticContact CE3-CE1 3.7Å; W572-F613 HydrophobicContact CE3-CE1 3.7Å; W572-F613 AromaticContact CE3-CZ 3.46Å; W572-F613 HydrophobicContact CE3-CZ 3.46Å; W572-F613 VanDerWaalsContact CE3-CZ 3.46Å; W572-F613 HydrophobicContact CG-CE1 4.42Å; W572-F613 HydrophobicContact CZ3-CE1 4.2Å; W572-F613 AromaticContact CZ3-CZ 3.78Å; W572-F613 HydrophobicContact CZ3-CZ 3.78Å; L575-F613 HydrophobicContact CD2-CE2 4.13Å; L575-F613 HydrophobicContact CD2-CZ 4.03Å; W576-F613 AromaticContact CZ2-CD1 3.9Å; W576-F613 HydrophobicContact CZ2-CD1 3.9Å; W576-F613 HydrophobicContact CZ2-CE1 4Å; W576-F613 HydrophobicContact CZ2-CG 4.49Å; W576-F613 AromaticContact NE1-CD1 3.69Å; W576-F613 AromaticContact NE1-CD2 3.49Å; W576-F613 AromaticContact NE1-CE1 3.63Å; W576-F613 AromaticContact NE1-CE2 3.46Å; W576-F613 AromaticContact NE1-CG 3.63Å; W576-F613 AromaticContact NE1-CZ 3.55Å; I609-F613 HydrophobicContact CG2-CD2 3.87Å; I609-F613 HydrophobicContact CG2-CE2 3.65Å; I609-F613 VanDerWaalsContact O-CD2 3.28Å; I609-F613 WeakPolarHBondContact O-CD2 3.45Å; I609-F613 PolarHBondContact O-N 3.27Å; F610-F613 PolarHBondContact O-N 3.21Å; F613-G617 WeakPolarHBondContact O-CA 3.24Å; F613-G617 PolarHBondContact O-N 3.05Å; F613-F620 AromaticContact CD1-CE2 3.82Å; F613-F620 HydrophobicContact CD1-CE2 3.82Å; F613-F620 AromaticContact CD1-CZ 3.5Å; F613-F620 HydrophobicContact CD1-CZ 3.5Å; F613-F620 AromaticContact CE1-CE2 3.47Å; F613-F620 HydrophobicContact CE1-CE2 3.47Å; F613-F620 VanDerWaalsContact CE1-CE2 3.47Å; F613-F620 AromaticContact CE1-CZ 3.62Å; F613-F620 HydrophobicContact CE1-CZ 3.62Å; F613-F620 HydrophobicContact CG-CZ 4.14Å; F613-F620 HydrophobicContact CZ-CE2 4.18Å; F613-F620 HydrophobicContact CZ-CZ 4.32Å; F613-L621 HydrophobicContact CD1-CD2 3.92Å; F613-L621 HydrophobicContact CD1-CG 4.48Å; F613-L621 HydrophobicContact CE1-CD2 3.76Å; F613-Y627 WeakPolarHBondContact O-CE2 3.37Å; F613-L630 HydrophobicContact CB-CD1 4.5Å; F613-L630 HydrophobicContact CB-CD2 3.63Å
614	I	95.1	Very high	94.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-48.7	179.8	-70.8	161.7	0	0	0	110.9	F610 N611 F612 Y627 L630 L634 L673 I676 L714	F610-I614 WeakPolarHBondContact O-CD1 3.43Å; F610-I614 VanDerWaalsContact O-CG1 3.29Å; F610-I614 WeakPolarHBondContact O-CG1 3.32Å; F610-I614 PolarHBondContact O-N 3.07Å; N611-I614 PolarHBondContact O-N 3.46Å; F612-I614 PolarHBondContact O-N 3.49Å; I614-Y627 PolarHBondContact O-OH 2.62Å; I614-L630 HydrophobicContact CG1-CD2 4.04Å; I614-L634 HydrophobicContact CD1-CD1 3.85Å; I614-L634 HydrophobicContact CG1-CD1 4.14Å; I614-L673 HydrophobicContact CD1-CD1 3.55Å; I614-L673 HydrophobicContact CD1-CG 3.98Å; I614-I676 HydrophobicContact CD1-CD1 3.78Å; I614-I676 HydrophobicContact CG1-CD1 4.11Å; I614-I676 HydrophobicContact CG2-CD1 3.73Å; I614-L714 HydrophobicContact CG2-CD1 3.92Å; I614-L714 HydrophobicContact CG2-CD2 4.01Å
615	L	94.1	Very high	94.7	Very high	35 Å²	35	27.6 Å²	27.6	18%	0.183	15%	0.147	C	C	.	.	H	α-helix	trans	-86.9	-21.2	-171.4	-67.4	173	0	0	0	114.3	N611 F612 L714 L717 L720	N611-L615 WeakPolarHBondContact O-CB 3.36Å; N611-L615 WeakPolarHBondContact O-CG 3.13Å; N611-L615 PolarHBondContact O-N 3.48Å; F612-L615 PolarHBondContact O-N 3.48Å; L615-L714 HydrophobicContact CD2-CB 4.19Å; L615-L714 HydrophobicContact CD2-CD1 4.19Å; L615-L717 HydrophobicContact CD1-CB 4.08Å; L615-L717 HydrophobicContact CD1-CD1 4.45Å; L615-L717 HydrophobicContact CD1-CG 4.48Å; L615-L720 HydrophobicContact CD1-CD1 3.55Å
616	H	93.9	Very high	94.7	Very high	24 Å²	24	27.7 Å²	27.7	11%	0.111	15%	0.148	C	C	.	.	H	α-helix	trans	-131.2	0.1	-173.5	-57.5	-36	0	0	0	114.4	K562 F612 D618 K619 F620	K562-H616 HydrophobicContact CD-CB 3.92Å; K562-H616 VanDerWaalsContact CE-CG 3.5Å; K562-H616 HydrophobicContact CG-CB 4.23Å; K562-H616 PolarHBondContact NZ-CD2 3.05Å; K562-H616 PolarHBondContact NZ-CE1 3.47Å; K562-H616 PolarHBondContact NZ-NE2 2.92Å; F612-H616 AromaticContact CD2-CD2 3.79Å; F612-H616 AromaticContact CE2-CD2 3.81Å; F612-H616 WeakPolarHBondContact O-CB 3.34Å; F612-H616 PolarHBondContact O-N 3.49Å; H616-D618 PolarHBondContact O-N 3.03Å; H616-K619 WeakPolarHBondContact O-CB 3.48Å; H616-K619 PolarHBondContact O-N 3.45Å; H616-F620 HydrophobicContact CB-CE1 4.28Å; H616-F620 WeakPolarHBondContact O-CD1 3.43Å; H616-F620 WeakPolarHBondContact O-CE1 3.47Å
617	G	93.5	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-32.9	-176.5	0	0	0	0	0	113.7	F613 K619 F620 L621	F613-G617 WeakPolarHBondContact O-CA 3.24Å; F613-G617 PolarHBondContact O-N 3.05Å; G617-K619 PolarHBondContact O-N 3.2Å; G617-K619 VanDerWaalsContact O-N 3.12Å; G617-F620 PolarHBondContact O-N 3.44Å; G617-L621 WeakPolarHBondContact O-CB 3.5Å; G617-L621 VanDerWaalsContact O-CG 3.22Å; G617-L621 WeakPolarHBondContact O-CG 3.49Å; G617-L621 PolarHBondContact O-N 2.86Å
618	D	90.2	Very high	94.5	Very high	90 Å²	90	30 Å²	30	48%	0.481	16%	0.158	S	C	.	.	H	α-helix	trans	-57	-26.9	175.2	68	-49.5	0	0	0	113.4	R567 H616	R567-D618 PolarHBondContact NH2-O 3.14Å; H616-D618 PolarHBondContact O-N 3.03Å
619	K	93	Very high	94.5	Very high	89 Å²	89	30.3 Å²	30.3	39%	0.387	16%	0.161	S	C	.	.	H	α-helix	trans	-81.7	-33.1	-177.2	-61.6	178.2	-178.4	177.8	0	113.3	K562 H616 G617	K562-K619 HydrophobicContact CG-CD 4.15Å; H616-K619 WeakPolarHBondContact O-CB 3.48Å; H616-K619 PolarHBondContact O-N 3.45Å; G617-K619 PolarHBondContact O-N 3.2Å; G617-K619 VanDerWaalsContact O-N 3.12Å
620	F	94.6	Very high	94.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-128.9	-12.6	-168.8	72	-93.7	0	0	0	115.2	L558 Q561 K562 R567 W572 F612 F613 H616 G617	L558-F620 HydrophobicContact CD2-CD2 4.17Å; L558-F620 HydrophobicContact CD2-CE2 3.47Å; L558-F620 VanDerWaalsContact CD2-CE2 3.47Å; L558-F620 HydrophobicContact CD2-CZ 3.91Å; Q561-F620 HydrophobicContact CB-CB 4.07Å; K562-F620 HydrophobicContact CB-CD1 4.37Å; R567-F620 WeakPolarHBondContact CA-O 3.5Å; W572-F620 HydrophobicContact CZ2-CD2 4.46Å; F612-F620 AromaticContact CD1-CE1 3.74Å; F612-F620 HydrophobicContact CD1-CE1 3.74Å; F612-F620 AromaticContact CD1-CZ 3.9Å; F612-F620 HydrophobicContact CD1-CZ 3.9Å; F612-F620 HydrophobicContact CE1-CD1 4.02Å; F612-F620 AromaticContact CE1-CE1 3.37Å; F612-F620 HydrophobicContact CE1-CE1 3.37Å; F612-F620 AromaticContact CE1-CZ 3.8Å; F612-F620 HydrophobicContact CE1-CZ 3.8Å; F612-F620 HydrophobicContact CZ-CE1 4.43Å; F613-F620 AromaticContact CD1-CE2 3.82Å; F613-F620 HydrophobicContact CD1-CE2 3.82Å; F613-F620 AromaticContact CD1-CZ 3.5Å; F613-F620 HydrophobicContact CD1-CZ 3.5Å; F613-F620 AromaticContact CE1-CE2 3.47Å; F613-F620 HydrophobicContact CE1-CE2 3.47Å; F613-F620 VanDerWaalsContact CE1-CE2 3.47Å; F613-F620 AromaticContact CE1-CZ 3.62Å; F613-F620 HydrophobicContact CE1-CZ 3.62Å; F613-F620 HydrophobicContact CG-CZ 4.14Å; F613-F620 HydrophobicContact CZ-CE2 4.18Å; F613-F620 HydrophobicContact CZ-CZ 4.32Å; H616-F620 HydrophobicContact CB-CE1 4.28Å; H616-F620 WeakPolarHBondContact O-CD1 3.43Å; H616-F620 WeakPolarHBondContact O-CE1 3.47Å; G617-F620 PolarHBondContact O-N 3.44Å
621	L	95.2	Very high	94.4	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.161	C	C	.	.	S	Bend	trans	-70.1	145.9	173.9	-68.3	174.1	0	0	0	111.1	R567 W572 F613 G617 S623 V626 Y627	R567-L621 WeakPolarHBondContact CD-O 3.49Å; W572-L621 HydrophobicContact CD2-CD2 4.13Å; W572-L621 HydrophobicContact CG-CD2 3.89Å; F613-L621 HydrophobicContact CD1-CD2 3.92Å; F613-L621 HydrophobicContact CD1-CG 4.48Å; F613-L621 HydrophobicContact CE1-CD2 3.76Å; G617-L621 WeakPolarHBondContact O-CB 3.5Å; G617-L621 VanDerWaalsContact O-CG 3.22Å; G617-L621 WeakPolarHBondContact O-CG 3.49Å; G617-L621 PolarHBondContact O-N 2.86Å; L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 2.96Å; L621-V626 HydrophobicContact CD1-CG1 4.35Å; L621-V626 HydrophobicContact CD2-CG1 3.9Å; L621-Y627 HydrophobicContact CD1-CD2 3.67Å; L621-Y627 HydrophobicContact CD1-CG 4.29Å
622	Q	93.3	Very high	94.4	Very high	62 Å²	62	32 Å²	32	29%	0.29	17%	0.168	S	C	.	.	S	Bend	trans	-61.7	-36.3	-175.8	65.7	-140.7	34.3	0	0	113.8	L568 F570 V626	L568-Q622 PolarHBondContact O-OE1 3.22Å; F570-Q622 PolarHBondContact O-NE2 3.38Å; F570-Q622 PolarHBondContact O-OE1 2.81Å; F570-Q622 VanDerWaalsContact O-OE1 3.04Å; Q622-V626 HydrophobicContact CG-CG2 3.72Å
623	S	93.4	Very high	94.3	Very high	38 Å²	38	32.3 Å²	32.3	27%	0.266	17%	0.169	S	C	.	.			trans	-151.4	159.4	179.4	69.4	0	0	0	0	111.9	L621 D625 V626	L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 2.96Å; S623-D625 VanDerWaalsContact C-N 3.26Å; S623-D625 PolarHBondContact O-N 3.02Å; S623-V626 PolarHBondContact O-N 3.47Å
624	P	92.8	Very high	94.3	Very high	97 Å²	97	32.3 Å²	32.3	63%	0.63	17%	0.169	S	C	*	.	H	α-helix	trans	-58.1	-35.2	173.2	-24.5	35.1	0	0	0	113.3	V626 Y627 D628	P624-V626 PolarHBondContact O-N 3.14Å; P624-Y627 CarbonylContact O-C 3.38Å; P624-Y627 WeakPolarHBondContact O-CA 3.38Å; P624-Y627 VanDerWaalsContact O-CB 3.24Å; P624-Y627 WeakPolarHBondContact O-CB 3.42Å; P624-Y627 PolarHBondContact O-N 2.99Å; P624-D628 PolarHBondContact O-N 2.98Å
625	D	94.2	Very high	94.3	Very high	81 Å²	81	32.9 Å²	32.9	43%	0.433	17%	0.172	S	C	.	.	H	α-helix	trans	-59.9	-32.2	178.8	-61.7	-59.6	0	0	0	112.6	S623 Y627 D628 N629 R706	S623-D625 VanDerWaalsContact C-N 3.26Å; S623-D625 PolarHBondContact O-N 3.02Å; D625-Y627 VanDerWaalsContact C-N 3.32Å; D625-D628 PolarHBondContact O-N 3.31Å; D625-N629 PolarHBondContact O-N 2.85Å; D625-N629 PolarHBondContact O-ND2 2.93Å; D625-R706 IonicContact OD1-CZ 2.66Å; D625-R706 IonicContact OD1-NH2 2.77Å; D625-R706 PolarHBondContact OD1-NH2 2.9Å
626	V	95.2	Very high	94.3	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-69.4	-35.4	174.8	177.4	0	0	0	0	111	W572 W576 L621 Q622 S623 P624 N629 L630	W572-V626 HydrophobicContact CB-CG1 4.23Å; W572-V626 HydrophobicContact CG-CG1 4.32Å; W576-V626 HydrophobicContact CH2-CG1 3.72Å; W576-V626 WeakPolarHBondContact CH2-O 3.33Å; W576-V626 HydrophobicContact CZ2-CG1 4.43Å; L621-V626 HydrophobicContact CD1-CG1 4.35Å; L621-V626 HydrophobicContact CD2-CG1 3.9Å; Q622-V626 HydrophobicContact CG-CG2 3.72Å; S623-V626 PolarHBondContact O-N 3.47Å; P624-V626 PolarHBondContact O-N 3.14Å; V626-N629 WeakPolarHBondContact O-CB 3.37Å; V626-N629 PolarHBondContact O-N 2.7Å; V626-L630 PolarHBondContact O-N 2.92Å; V626-L630 VanDerWaalsContact O-N 3.12Å
627	Y	94.8	Very high	94.3	Very high	39 Å²	39	38.1 Å²	38.1	15%	0.153	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-42.1	173.1	-166.4	-109.6	0	0	0	111	F613 I614 L621 P624 D625 N629 L630 Y631 Y709	F613-Y627 WeakPolarHBondContact O-CE2 3.37Å; I614-Y627 PolarHBondContact O-OH 2.62Å; L621-Y627 HydrophobicContact CD1-CD2 3.67Å; L621-Y627 HydrophobicContact CD1-CG 4.29Å; P624-Y627 CarbonylContact O-C 3.38Å; P624-Y627 WeakPolarHBondContact O-CA 3.38Å; P624-Y627 VanDerWaalsContact O-CB 3.24Å; P624-Y627 WeakPolarHBondContact O-CB 3.42Å; P624-Y627 PolarHBondContact O-N 2.99Å; D625-Y627 VanDerWaalsContact C-N 3.32Å; Y627-N629 VanDerWaalsContact C-N 3.28Å; Y627-N629 PolarHBondContact O-N 3.4Å; Y627-L630 WeakPolarHBondContact O-CB 3.42Å; Y627-L630 PolarHBondContact O-N 3.11Å; Y627-L630 VanDerWaalsContact O-N 3.15Å; Y627-Y631 HydrophobicContact CD1-CD2 4.37Å; Y627-Y631 HydrophobicContact CD1-CE2 4.06Å; Y627-Y631 HydrophobicContact CD2-CE2 4.46Å; Y627-Y631 HydrophobicContact CE1-CD2 4.25Å; Y627-Y631 AromaticContact CE1-CE2 3.52Å; Y627-Y631 HydrophobicContact CE1-CE2 3.52Å; Y627-Y631 AromaticContact CE2-CE2 3.99Å; Y627-Y631 HydrophobicContact CE2-CE2 3.99Å; Y627-Y631 AromaticContact CZ-CE2 3.5Å; Y627-Y631 VanDerWaalsContact CZ-CE2 3.5Å; Y627-Y631 WeakPolarHBondContact O-CD2 3.29Å; Y627-Y631 PolarHBondContact O-N 2.92Å; Y627-Y631 PolarHBondContact OH-OH 3.32Å; Y627-Y709 HydrophobicContact CD1-CE1 4.19Å; Y627-Y709 AromaticContact CE1-CE1 3.85Å; Y627-Y709 HydrophobicContact CE1-CE1 3.85Å
628	D	94.9	Very high	94.4	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-42	173.3	-57.2	-25.3	0	0	0	111.5	P624 D625 L630 Y631 Y632 L702 R706 Y709	P624-D628 PolarHBondContact O-N 2.98Å; D625-D628 PolarHBondContact O-N 3.31Å; D628-L630 VanDerWaalsContact C-N 3.33Å; D628-L630 PolarHBondContact O-N 3.14Å; D628-Y631 PolarHBondContact O-N 3.35Å; D628-Y632 PolarHBondContact O-N 3.15Å; D628-L702 HydrophobicContact CB-CD2 3.82Å; D628-R706 WeakPolarHBondContact OD2-CG 3.35Å; D628-R706 IonicContact OD2-CZ 3.36Å; D628-R706 IonicContact OD2-NE 3.99Å; D628-R706 PolarHBondContact OD2-NE 2.96Å; D628-R706 IonicContact OD2-NH2 3.52Å; D628-Y709 WeakPolarHBondContact CA-OH 3.35Å; D628-Y709 VanDerWaalsContact OD1-CE2 3.3Å; D628-Y709 WeakPolarHBondContact OD1-CE2 3.46Å; D628-Y709 PolarHBondContact OD1-OH 2.89Å; D628-Y709 VanDerWaalsContact OD1-OH 3.13Å
629	N	95.1	Very high	94.7	Very high	50 Å²	50	42.2 Å²	42.2	27%	0.267	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-34.2	177.5	-72.9	-35.5	0	0	0	113.2	W576 D625 V626 Y627 Y632 E633	W576-N629 HydrophobicContact CZ3-CB 4.41Å; D625-N629 PolarHBondContact O-N 2.85Å; D625-N629 PolarHBondContact O-ND2 2.93Å; V626-N629 WeakPolarHBondContact O-CB 3.37Å; V626-N629 PolarHBondContact O-N 2.7Å; Y627-N629 VanDerWaalsContact C-N 3.28Å; Y627-N629 PolarHBondContact O-N 3.4Å; N629-Y632 PolarHBondContact O-N 2.98Å; N629-E633 WeakPolarHBondContact O-CB 3.44Å; N629-E633 PolarHBondContact O-N 3.48Å
630	L	95.7	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-48.6	173	172.7	67.6	0	0	0	110.5	W576 F610 F613 I614 V626 Y627 D628 E633 L634	W576-L630 HydrophobicContact CD2-CD1 3.86Å; W576-L630 HydrophobicContact CE3-CD1 4.26Å; W576-L630 HydrophobicContact CG-CD1 4.25Å; W576-L630 HydrophobicContact CH2-CB 3.73Å; W576-L630 HydrophobicContact CH2-CD1 4.45Å; W576-L630 HydrophobicContact CZ2-CB 3.99Å; W576-L630 HydrophobicContact CZ2-CD1 4.05Å; W576-L630 HydrophobicContact CZ2-CG 4.49Å; W576-L630 HydrophobicContact CZ3-CB 4.01Å; F610-L630 HydrophobicContact CD1-CD1 3.98Å; F610-L630 HydrophobicContact CE1-CD1 3.93Å; F613-L630 HydrophobicContact CB-CD1 4.5Å; F613-L630 HydrophobicContact CB-CD2 3.63Å; I614-L630 HydrophobicContact CG1-CD2 4.04Å; V626-L630 PolarHBondContact O-N 2.92Å; V626-L630 VanDerWaalsContact O-N 3.12Å; Y627-L630 WeakPolarHBondContact O-CB 3.42Å; Y627-L630 PolarHBondContact O-N 3.11Å; Y627-L630 VanDerWaalsContact O-N 3.15Å; D628-L630 VanDerWaalsContact C-N 3.33Å; D628-L630 PolarHBondContact O-N 3.14Å; L630-E633 WeakPolarHBondContact O-CB 3.45Å; L630-E633 PolarHBondContact O-N 3.43Å; L630-L634 HydrophobicContact CG-CD1 4.42Å; L630-L634 WeakPolarHBondContact O-CG 3.34Å; L630-L634 PolarHBondContact O-N 2.9Å
631	Y	95.3	Very high	95	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-41.8	-179	-82.6	-101.2	0	0	0	111.5	Y627 D628 E633 L634 I635 I676 F680 Y709 L712	Y627-Y631 HydrophobicContact CD1-CD2 4.37Å; Y627-Y631 HydrophobicContact CD1-CE2 4.06Å; Y627-Y631 HydrophobicContact CD2-CE2 4.46Å; Y627-Y631 HydrophobicContact CE1-CD2 4.25Å; Y627-Y631 AromaticContact CE1-CE2 3.52Å; Y627-Y631 HydrophobicContact CE1-CE2 3.52Å; Y627-Y631 AromaticContact CE2-CE2 3.99Å; Y627-Y631 HydrophobicContact CE2-CE2 3.99Å; Y627-Y631 AromaticContact CZ-CE2 3.5Å; Y627-Y631 VanDerWaalsContact CZ-CE2 3.5Å; Y627-Y631 WeakPolarHBondContact O-CD2 3.29Å; Y627-Y631 PolarHBondContact O-N 2.92Å; Y627-Y631 PolarHBondContact OH-OH 3.32Å; D628-Y631 PolarHBondContact O-N 3.35Å; Y631-E633 VanDerWaalsContact C-N 3.29Å; Y631-E633 PolarHBondContact O-N 3.35Å; Y631-L634 PolarHBondContact O-N 3.47Å; Y631-I635 WeakPolarHBondContact O-CD1 3.33Å; Y631-I635 VanDerWaalsContact O-CG1 3.22Å; Y631-I635 WeakPolarHBondContact O-CG1 3.3Å; Y631-I635 PolarHBondContact O-N 2.78Å; Y631-I676 HydrophobicContact CD1-CG2 3.44Å; Y631-I676 VanDerWaalsContact CD1-CG2 3.44Å; Y631-I676 HydrophobicContact CE1-CB 4.46Å; Y631-I676 HydrophobicContact CE1-CD1 3.94Å; Y631-I676 HydrophobicContact CE1-CG1 4.12Å; Y631-I676 HydrophobicContact CE1-CG2 3.5Å; Y631-F680 HydrophobicContact CD1-CD2 4.13Å; Y631-F680 AromaticContact CD1-CE2 3.45Å; Y631-F680 HydrophobicContact CD1-CE2 3.45Å; Y631-F680 VanDerWaalsContact CD1-CE2 3.45Å; Y631-F680 HydrophobicContact CD1-CZ 4.22Å; Y631-F680 AromaticContact CE1-CE2 3.87Å; Y631-F680 HydrophobicContact CE1-CE2 3.87Å; Y631-Y709 HydrophobicContact CD1-CE1 4.35Å; Y631-Y709 HydrophobicContact CD2-CE1 4.17Å; Y631-Y709 HydrophobicContact CE1-CE1 4.21Å; Y631-Y709 HydrophobicContact CE2-CE1 4.05Å; Y631-Y709 HydrophobicContact CG-CE1 4.3Å; Y631-L712 HydrophobicContact CE1-CD2 3.56Å
632	Y	95.6	Very high	95.1	Very high	37 Å²	37	40.6 Å²	40.6	15%	0.145	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-45.4	171.4	174.5	-97.1	0	0	0	111.7	D628 N629 L634 I635 R636 E698 V701 L702	D628-Y632 PolarHBondContact O-N 3.15Å; N629-Y632 PolarHBondContact O-N 2.98Å; Y632-L634 PolarHBondContact O-N 2.69Å; Y632-I635 PolarHBondContact O-N 2.75Å; Y632-R636 WeakPolarHBondContact O-CB 3.42Å; Y632-R636 PolarHBondContact O-N 3.48Å; Y632-E698 HydrophobicContact CD2-CG 4.42Å; Y632-E698 HydrophobicContact CE1-CG 4.02Å; Y632-E698 HydrophobicContact CE2-CB 4.21Å; Y632-E698 HydrophobicContact CE2-CG 3.89Å; Y632-V701 HydrophobicContact CD2-CB 3.96Å; Y632-V701 HydrophobicContact CD2-CG1 3.71Å; Y632-V701 HydrophobicContact CE2-CB 4.02Å; Y632-V701 HydrophobicContact CE2-CG1 4.11Å; Y632-V701 HydrophobicContact CE2-CG2 4.45Å; Y632-L702 HydrophobicContact CG-CD2 4.37Å
633	E	95	Very high	95.2	Very high	5 Å²	5	42 Å²	42	2%	0.023	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-41.1	179.9	-167.4	58.4	-131.3	0	0	112.2	L580 N629 L630 Y631 R636 M637	L580-E633 HydrophobicContact CD1-CG 3.69Å; N629-E633 WeakPolarHBondContact O-CB 3.44Å; N629-E633 PolarHBondContact O-N 3.48Å; L630-E633 WeakPolarHBondContact O-CB 3.45Å; L630-E633 PolarHBondContact O-N 3.43Å; Y631-E633 VanDerWaalsContact C-N 3.29Å; Y631-E633 PolarHBondContact O-N 3.35Å; E633-R636 WeakPolarHBondContact O-CB 3.48Å; E633-R636 PolarHBondContact O-N 3.03Å; E633-R636 IonicContact OE1-CZ 3.11Å; E633-R636 IonicContact OE1-NE 3.98Å; E633-R636 PolarHBondContact OE1-NE 3.47Å; E633-R636 IonicContact OE1-NH2 3.32Å; E633-R636 PolarHBondContact OE1-NH2 3.4Å; E633-R636 IonicContact OE2-CZ 3.03Å; E633-R636 IonicContact OE2-NE 3.41Å; E633-R636 PolarHBondContact OE2-NE 3.04Å; E633-R636 IonicContact OE2-NH1 3.71Å; E633-R636 IonicContact OE2-NH2 3.86Å; E633-R636 PolarHBondContact OE2-NH2 2.95Å; E633-M637 WeakPolarHBondContact O-CB 3.38Å; E633-M637 WeakPolarHBondContact O-CG 3.32Å; E633-M637 PolarHBondContact O-N 3.41Å
634	L	95.4	Very high	95.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-43.6	174.8	-68.5	175.1	0	0	0	112.2	F610 I614 L630 Y631 Y632 R636 M637 H638 L673	F610-L634 HydrophobicContact CD1-CD2 4.09Å; F610-L634 HydrophobicContact CE1-CD2 4.28Å; I614-L634 HydrophobicContact CD1-CD1 3.85Å; I614-L634 HydrophobicContact CG1-CD1 4.14Å; L630-L634 HydrophobicContact CG-CD1 4.42Å; L630-L634 WeakPolarHBondContact O-CG 3.34Å; L630-L634 PolarHBondContact O-N 2.9Å; Y631-L634 PolarHBondContact O-N 3.47Å; Y632-L634 PolarHBondContact O-N 2.69Å; L634-R636 VanDerWaalsContact C-N 3.35Å; L634-M637 CarbonylContact O-C 3.57Å; L634-M637 PolarHBondContact O-N 3.25Å; L634-H638 PolarHBondContact O-N 3.08Å; L634-H638 VanDerWaalsContact O-N 3.17Å; L634-L673 HydrophobicContact CD2-CD2 4.02Å; L634-L673 HydrophobicContact CD2-CG 4.27Å
635	I	95.1	Very high	95.6	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-45.3	175.7	-66	160.1	0	0	0	110.1	Y631 Y632 M637 H638 F680 I684 V701 V705	Y631-I635 WeakPolarHBondContact O-CD1 3.33Å; Y631-I635 VanDerWaalsContact O-CG1 3.22Å; Y631-I635 WeakPolarHBondContact O-CG1 3.3Å; Y631-I635 PolarHBondContact O-N 2.78Å; Y632-I635 PolarHBondContact O-N 2.75Å; I635-M637 PolarHBondContact O-N 3.18Å; I635-H638 WeakPolarHBondContact O-CB 3.41Å; I635-H638 PolarHBondContact O-N 2.85Å; I635-H638 VanDerWaalsContact O-N 3.17Å; I635-H638 PolarHBondContact O-ND1 3.3Å; I635-F680 HydrophobicContact CD1-CB 3.45Å; I635-F680 VanDerWaalsContact CD1-CB 3.45Å; I635-F680 HydrophobicContact CD1-CD2 4.12Å; I635-F680 HydrophobicContact CD1-CG 3.82Å; I635-F680 HydrophobicContact CG1-CB 3.84Å; I635-F680 HydrophobicContact CG1-CG 4.48Å; I635-I684 HydrophobicContact CD1-CD1 4.47Å; I635-I684 HydrophobicContact CG2-CD1 3.71Å; I635-V701 HydrophobicContact CD1-CG1 4.46Å; I635-V705 HydrophobicContact CD1-CG2 3.67Å
636	R	94	Very high	95.7	Very high	112 Å²	112	37.6 Å²	37.6	42%	0.423	18%	0.177	S	C	.	.	H	α-helix	trans	-58.2	-38.3	177.9	-168.1	177.1	74.7	162.1	7.4	111.5	Y632 E633 L634	Y632-R636 WeakPolarHBondContact O-CB 3.42Å; Y632-R636 PolarHBondContact O-N 3.48Å; E633-R636 WeakPolarHBondContact O-CB 3.48Å; E633-R636 PolarHBondContact O-N 3.03Å; E633-R636 IonicContact OE1-CZ 3.11Å; E633-R636 IonicContact OE1-NE 3.98Å; E633-R636 PolarHBondContact OE1-NE 3.47Å; E633-R636 IonicContact OE1-NH2 3.32Å; E633-R636 PolarHBondContact OE1-NH2 3.4Å; E633-R636 IonicContact OE2-CZ 3.03Å; E633-R636 IonicContact OE2-NE 3.41Å; E633-R636 PolarHBondContact OE2-NE 3.04Å; E633-R636 IonicContact OE2-NH1 3.71Å; E633-R636 IonicContact OE2-NH2 3.86Å; E633-R636 PolarHBondContact OE2-NH2 2.95Å; L634-R636 VanDerWaalsContact C-N 3.35Å
637	M	94.9	Very high	95.7	Very high	58 Å²	58	39.5 Å²	39.5	29%	0.286	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	20.4	-179.7	-65.3	-65.6	106.8	0	0	114.3	L580 E633 L634 I635 L639 L640 V641	L580-M637 HydrophobicContact CD1-CG 4.1Å; L580-M637 HydrophobicContact CD2-CB 4.33Å; L580-M637 HydrophobicContact CD2-CG 4.36Å; E633-M637 WeakPolarHBondContact O-CB 3.38Å; E633-M637 WeakPolarHBondContact O-CG 3.32Å; E633-M637 PolarHBondContact O-N 3.41Å; L634-M637 CarbonylContact O-C 3.57Å; L634-M637 PolarHBondContact O-N 3.25Å; I635-M637 PolarHBondContact O-N 3.18Å; M637-L639 VanDerWaalsContact C-N 3.29Å; M637-L639 PolarHBondContact O-N 3.24Å; M637-L639 VanDerWaalsContact O-N 3.15Å; M637-L640 WeakPolarHBondContact O-CB 3.33Å; M637-L640 PolarHBondContact O-N 3.08Å; M637-V641 PolarHBondContact O-N 3.24Å
638	H	95.1	Very high	95.8	Very high	63 Å²	63	37.7 Å²	37.7	29%	0.292	18%	0.176	S	C	.	.	H	α-helix	trans	-51.4	-40.8	-176.6	65	-80.5	0	0	0	114.7	L634 I635 L640 V641 E642 V677	L634-H638 PolarHBondContact O-N 3.08Å; L634-H638 VanDerWaalsContact O-N 3.17Å; I635-H638 WeakPolarHBondContact O-CB 3.41Å; I635-H638 PolarHBondContact O-N 2.85Å; I635-H638 VanDerWaalsContact O-N 3.17Å; I635-H638 PolarHBondContact O-ND1 3.3Å; H638-L640 VanDerWaalsContact C-N 3.27Å; H638-L640 PolarHBondContact O-N 2.98Å; H638-V641 WeakPolarHBondContact O-CB 3.17Å; H638-V641 PolarHBondContact O-N 3.28Å; H638-V641 VanDerWaalsContact O-N 3.14Å; H638-E642 WeakPolarHBondContact O-CG 3.26Å; H638-E642 PolarHBondContact O-N 2.86Å; H638-V677 HydrophobicContact CB-CB 4.49Å; H638-V677 HydrophobicContact CB-CG1 3.31Å; H638-V677 HydrophobicContact CB-CG2 4.36Å
639	L	96.5	Very high	95.8	Very high	113 Å²	113	40.4 Å²	40.4	59%	0.592	19%	0.19	S	C	*	.	H	α-helix	trans	-61.4	-35.9	178.3	-67.8	175.8	0	0	0	112.4	M637 N643	M637-L639 VanDerWaalsContact C-N 3.29Å; M637-L639 PolarHBondContact O-N 3.24Å; M637-L639 VanDerWaalsContact O-N 3.15Å; L639-N643 WeakPolarHBondContact O-CB 3.2Å; L639-N643 PolarHBondContact O-N 2.84Å; L639-N643 PolarHBondContact O-ND2 3.43Å
640	L	96.8	Very high	95.8	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-43.5	175.8	176.8	62.1	0	0	0	110.5	L580 L583 K584 L587 M637 H638 E642 N643 L644	L580-L640 HydrophobicContact CD2-CD2 4.05Å; L583-L640 HydrophobicContact CB-CD2 4.39Å; K584-L640 HydrophobicContact CB-CD1 3.97Å; K584-L640 HydrophobicContact CB-CD2 4.08Å; K584-L640 HydrophobicContact CG-CD1 4.36Å; L587-L640 HydrophobicContact CD2-CD1 3.95Å; M637-L640 WeakPolarHBondContact O-CB 3.33Å; M637-L640 PolarHBondContact O-N 3.08Å; H638-L640 VanDerWaalsContact C-N 3.27Å; H638-L640 PolarHBondContact O-N 2.98Å; L640-E642 PolarHBondContact O-N 3.36Å; L640-N643 PolarHBondContact O-N 2.95Å; L640-L644 HydrophobicContact CD1-CD1 3.99Å; L640-L644 HydrophobicContact CD1-CG 4.04Å; L640-L644 HydrophobicContact CG-CD1 3.84Å; L640-L644 HydrophobicContact CG-CG 4.35Å; L640-L644 WeakPolarHBondContact O-CB 3.22Å; L640-L644 VanDerWaalsContact O-CG 3.22Å; L640-L644 WeakPolarHBondContact O-CG 3.36Å; L640-L644 PolarHBondContact O-N 2.99Å
641	V	96.8	Very high	95.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-45.6	178	178.8	0	0	0	0	111	M637 H638 Y645 L670 L673 R674 V677	M637-V641 PolarHBondContact O-N 3.24Å; H638-V641 WeakPolarHBondContact O-CB 3.17Å; H638-V641 PolarHBondContact O-N 3.28Å; H638-V641 VanDerWaalsContact O-N 3.14Å; V641-Y645 WeakPolarHBondContact O-CB 3.31Å; V641-Y645 PolarHBondContact O-N 2.84Å; V641-L670 HydrophobicContact CG1-CD2 4.33Å; V641-L673 HydrophobicContact CG1-CB 3.91Å; V641-R674 HydrophobicContact CG1-CB 4.36Å; V641-V677 HydrophobicContact CG2-CG2 4.43Å
642	E	96.6	Very high	95.7	Very high	40 Å²	40	47.1 Å²	47.1	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-47.8	176.7	-69.9	-63.6	148.2	0	0	111.6	H638 L640 L644 Y645 E646 R674	H638-E642 WeakPolarHBondContact O-CG 3.26Å; H638-E642 PolarHBondContact O-N 2.86Å; L640-E642 PolarHBondContact O-N 3.36Å; E642-L644 PolarHBondContact O-N 3.35Å; E642-Y645 PolarHBondContact O-N 3.22Å; E642-Y645 VanDerWaalsContact O-N 3.15Å; E642-E646 WeakPolarHBondContact O-CG 3.43Å; E642-E646 PolarHBondContact O-N 2.88Å; E642-R674 VanDerWaalsContact CD-NE 3.33Å; E642-R674 VanDerWaalsContact OE1-CG 3.23Å; E642-R674 WeakPolarHBondContact OE1-CG 3.22Å; E642-R674 IonicContact OE1-CZ 2.97Å; E642-R674 IonicContact OE1-NE 3.86Å; E642-R674 PolarHBondContact OE1-NE 3.27Å; E642-R674 IonicContact OE1-NH2 3.55Å; E642-R674 IonicContact OE2-CZ 2.93Å; E642-R674 IonicContact OE2-NE 3.95Å; E642-R674 PolarHBondContact OE2-NE 3.12Å; E642-R674 IonicContact OE2-NH2 3.89Å; E642-R674 PolarHBondContact OE2-NH2 3.32Å
643	N	97	Very high	95.6	Very high	92 Å²	92	51 Å²	51	49%	0.492	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-38.8	-179.5	-66.5	-20.5	0	0	0	112.5	L587 L639 L640 Y645 Y647	L587-N643 HydrophobicContact CD2-CB 3.7Å; L639-N643 WeakPolarHBondContact O-CB 3.2Å; L639-N643 PolarHBondContact O-N 2.84Å; L639-N643 PolarHBondContact O-ND2 3.43Å; L640-N643 PolarHBondContact O-N 2.95Å; N643-Y645 VanDerWaalsContact C-N 3.34Å; N643-Y647 VanDerWaalsContact O-CB 3.24Å; N643-Y647 WeakPolarHBondContact O-CB 3.49Å; N643-Y647 PolarHBondContact O-N 3.28Å
644	L	97	Very high	95.4	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-42.8	173.4	-73.4	167.1	0	0	0	110.8	L583 L587 M603 L640 E642 Y647 S648 L670	L583-L644 HydrophobicContact CB-CD1 4.16Å; L583-L644 HydrophobicContact CD1-CD1 4.26Å; L583-L644 HydrophobicContact CD2-CD1 4.3Å; L583-L644 HydrophobicContact CG-CD1 4.49Å; L587-L644 HydrophobicContact CB-CD2 4.09Å; L587-L644 HydrophobicContact CD1-CD2 4.26Å; L587-L644 HydrophobicContact CD2-CD2 4.25Å; L587-L644 HydrophobicContact CD2-CG 4.33Å; L587-L644 HydrophobicContact CG-CD2 4.43Å; M603-L644 HydrophobicContact CE-CD2 3.92Å; M603-L644 HydrophobicContact CG-CD2 4.37Å; M603-L644 HydrophobicContact SD-CD2 3.77Å; L640-L644 HydrophobicContact CD1-CD1 3.99Å; L640-L644 HydrophobicContact CD1-CG 4.04Å; L640-L644 HydrophobicContact CG-CD1 3.84Å; L640-L644 HydrophobicContact CG-CG 4.35Å; L640-L644 WeakPolarHBondContact O-CB 3.22Å; L640-L644 VanDerWaalsContact O-CG 3.22Å; L640-L644 WeakPolarHBondContact O-CG 3.36Å; L640-L644 PolarHBondContact O-N 2.99Å; E642-L644 PolarHBondContact O-N 3.35Å; L644-Y647 PolarHBondContact O-N 3.35Å; L644-S648 WeakPolarHBondContact O-CB 3.24Å; L644-S648 PolarHBondContact O-N 3.15Å; L644-S648 PolarHBondContact O-OG 3.39Å; L644-S648 VanDerWaalsContact O-OG 3.11Å; L644-L670 HydrophobicContact CB-CD1 3.78Å; L644-L670 HydrophobicContact CB-CD2 3.92Å; L644-L670 HydrophobicContact CD1-CD2 4.32Å
645	Y	97.1	Very high	95.3	Very high	42 Å²	42	59.5 Å²	59.5	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-48.7	-179.3	-179.1	-85.3	0	0	0	111.1	V641 E642 N643 Y647 S648 L649 V667 L670	V641-Y645 WeakPolarHBondContact O-CB 3.31Å; V641-Y645 PolarHBondContact O-N 2.84Å; E642-Y645 PolarHBondContact O-N 3.22Å; E642-Y645 VanDerWaalsContact O-N 3.15Å; N643-Y645 VanDerWaalsContact C-N 3.34Å; Y645-Y647 PolarHBondContact O-N 2.94Å; Y645-S648 PolarHBondContact O-N 3.12Å; Y645-L649 HydrophobicContact CE1-CB 4.43Å; Y645-L649 HydrophobicContact CE1-CD2 3.89Å; Y645-L649 WeakPolarHBondContact O-CB 3.37Å; Y645-L649 PolarHBondContact O-N 3.19Å; Y645-V667 HydrophobicContact CE2-CG1 3.82Å; Y645-L670 HydrophobicContact CD2-CB 3.92Å
646	E	96.1	Very high	95.2	Very high	78 Å²	78	62.5 Å²	62.5	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-64.1	-41.2	178.5	-64.7	-57.4	146.9	0	0	111.6	E642 L649 Q650 R674	E642-E646 WeakPolarHBondContact O-CG 3.43Å; E642-E646 PolarHBondContact O-N 2.88Å; E646-L649 PolarHBondContact O-N 3.5Å; E646-Q650 VanDerWaalsContact O-CG 3.29Å; E646-Q650 WeakPolarHBondContact O-CG 3.36Å; E646-Q650 PolarHBondContact O-N 2.9Å; E646-R674 IonicContact OE1-NH1 3.11Å; E646-R674 IonicContact OE1-NH2 3.55Å
647	Y	95.3	Very high	95.2	Very high	55 Å²	55	62.9 Å²	62.9	22%	0.216	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-50.2	175.7	-179.2	-96.4	0	0	0	111.8	L587 L596 L600 M603 N643 L644 Y645 L649 Q650 H651	L587-Y647 HydrophobicContact CD1-CD1 4.18Å; L587-Y647 HydrophobicContact CD1-CD2 3.92Å; L587-Y647 HydrophobicContact CD1-CG 3.66Å; L596-Y647 HydrophobicContact CD1-CE1 4.17Å; L596-Y647 WeakPolarHBondContact CD1-OH 3.37Å; L600-Y647 HydrophobicContact CD2-CE1 4.32Å; M603-Y647 HydrophobicContact CE-CD1 3.88Å; M603-Y647 HydrophobicContact CE-CE1 3.75Å; M603-Y647 HydrophobicContact SD-CD1 4.24Å; M603-Y647 HydrophobicContact SD-CE1 4.38Å; N643-Y647 VanDerWaalsContact O-CB 3.24Å; N643-Y647 WeakPolarHBondContact O-CB 3.49Å; N643-Y647 PolarHBondContact O-N 3.28Å; L644-Y647 PolarHBondContact O-N 3.35Å; Y645-Y647 PolarHBondContact O-N 2.94Å; Y647-L649 PolarHBondContact O-N 2.83Å; Y647-Q650 PolarHBondContact O-N 3.37Å; Y647-H651 AromaticContact CE1-CD2 3.84Å; Y647-H651 AromaticContact CE2-NE2 3.69Å; Y647-H651 AromaticContact CZ-CD2 3.89Å; Y647-H651 AromaticContact CZ-NE2 3.63Å; Y647-H651 PolarHBondContact O-CD2 3.1Å
648	S	95.9	Very high	95.1	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-33.5	-179.8	-57.5	0	0	0	0	112.7	L644 Y645 Q650 H651 S652 V666	L644-S648 WeakPolarHBondContact O-CB 3.24Å; L644-S648 PolarHBondContact O-N 3.15Å; L644-S648 PolarHBondContact O-OG 3.39Å; L644-S648 VanDerWaalsContact O-OG 3.11Å; Y645-S648 PolarHBondContact O-N 3.12Å; S648-Q650 VanDerWaalsContact C-N 3.34Å; S648-Q650 PolarHBondContact O-N 3.22Å; S648-H651 CarbonylContact O-C 3.26Å; S648-H651 PolarHBondContact O-N 3.03Å; S648-H651 VanDerWaalsContact O-N 3.12Å; S648-S652 PolarHBondContact O-N 3.39Å; S648-V666 WeakPolarHBondContact OG-CG1 3.46Å
649	L	96.2	Very high	95.1	Very high	67 Å²	67	64 Å²	64	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-64.6	-38.3	176.2	-176.5	66.3	0	0	0	112	Y645 E646 Y647 H651 S652 V667	Y645-L649 HydrophobicContact CE1-CB 4.43Å; Y645-L649 HydrophobicContact CE1-CD2 3.89Å; Y645-L649 WeakPolarHBondContact O-CB 3.37Å; Y645-L649 PolarHBondContact O-N 3.19Å; E646-L649 PolarHBondContact O-N 3.5Å; Y647-L649 PolarHBondContact O-N 2.83Å; L649-H651 PolarHBondContact O-N 3.36Å; L649-S652 PolarHBondContact O-N 3.42Å; L649-S652 PolarHBondContact O-OG 2.88Å; L649-V667 HydrophobicContact CB-CG2 4.27Å; L649-V667 HydrophobicContact CD1-CG1 4.49Å
650	Q	94.9	Very high	95.1	Very high	131 Å²	131	62.7 Å²	62.7	61%	0.612	32%	0.323	S	S	*	.	H	α-helix	trans	-60.8	-31.5	174	-71.7	171.5	12.6	0	0	112	E646 Y647 S648	E646-Q650 VanDerWaalsContact O-CG 3.29Å; E646-Q650 WeakPolarHBondContact O-CG 3.36Å; E646-Q650 PolarHBondContact O-N 2.9Å; Y647-Q650 PolarHBondContact O-N 3.37Å; S648-Q650 VanDerWaalsContact C-N 3.34Å; S648-Q650 PolarHBondContact O-N 3.22Å
651	H	94.6	Very high	95.1	Very high	43 Å²	43	66.3 Å²	66.3	20%	0.199	34%	0.342	C	S	.	.	H	α-helix	trans	-91.5	-14.3	-179.4	-65.1	-55.5	0	0	0	114.2	L600 Y647 S648 L649 T653 S654 I659 A663	L600-H651 HydrophobicContact CD1-CB 4.41Å; Y647-H651 AromaticContact CE1-CD2 3.84Å; Y647-H651 AromaticContact CE2-NE2 3.69Å; Y647-H651 AromaticContact CZ-CD2 3.89Å; Y647-H651 AromaticContact CZ-NE2 3.63Å; Y647-H651 PolarHBondContact O-CD2 3.1Å; S648-H651 CarbonylContact O-C 3.26Å; S648-H651 PolarHBondContact O-N 3.03Å; S648-H651 VanDerWaalsContact O-N 3.12Å; L649-H651 PolarHBondContact O-N 3.36Å; H651-T653 PolarHBondContact O-N 3.27Å; H651-S654 WeakPolarHBondContact O-CB 3.49Å; H651-S654 PolarHBondContact O-N 3.44Å; H651-I659 HydrophobicContact CB-CG2 4.38Å; H651-A663 HydrophobicContact CB-CB 3.89Å
652	S	93.8	Very high	95	Very high	19 Å²	19	67.1 Å²	67.1	13%	0.133	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.5	175.9	68.6	0	0	0	0	113.8	S648 L649 K660	S648-S652 PolarHBondContact O-N 3.39Å; L649-S652 PolarHBondContact O-N 3.42Å; L649-S652 PolarHBondContact O-OG 2.88Å; S652-K660 WeakPolarHBondContact O-CG 3.42Å
653	T	93.2	Very high	95	Very high	117 Å²	117	65.2 Å²	65.2	72%	0.718	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	18.3	170.3	57.9	0	0	0	0	112.6	H651	H651-T653 PolarHBondContact O-N 3.27Å
654	S	92	Very high	95	Very high	33 Å²	33	63.1 Å²	63.1	23%	0.231	33%	0.331	C	S	.	.			trans	-61	148.5	177.5	-175.1	0	0	0	0	112.2	H651 N656	H651-S654 WeakPolarHBondContact O-CB 3.49Å; H651-S654 PolarHBondContact O-N 3.44Å; S654-N656 VanDerWaalsContact C-N 3.32Å; S654-N656 PolarHBondContact OG-N 3.32Å
655	T	92.1	Very high	94.9	Very high	152 Å²	152	64.9 Å²	64.9	93%	0.933	34%	0.342	S	S	*	.	S	Bend	trans	-74.5	-23.9	173.5	52.1	0	0	0	0	112.6
656	N	94	Very high	94.9	Very high	74 Å²	74	62.9 Å²	62.9	40%	0.396	33%	0.334	S	S	.	.	S	Bend	trans	-79.4	120.1	173	-178.9	-39.7	0	0	0	109.2	S654 E658 I659 K660	S654-N656 VanDerWaalsContact C-N 3.32Å; S654-N656 PolarHBondContact OG-N 3.32Å; N656-E658 PolarHBondContact O-N 2.95Å; N656-E658 PolarHBondContact OD1-N 3.19Å; N656-I659 HydrophobicContact CB-CB 4.19Å; N656-I659 HydrophobicContact CB-CD1 3.95Å; N656-I659 HydrophobicContact CB-CG1 4.13Å; N656-I659 PolarHBondContact O-N 2.95Å; N656-I659 PolarHBondContact OD1-N 3.19Å; N656-K660 WeakPolarHBondContact O-CB 3.14Å; N656-K660 PolarHBondContact O-N 3Å
657	M	93	Very high	94.9	Very high	120 Å²	120	60.1 Å²	60.1	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-61.1	-44	-175.6	-164.2	70	78.2	0	0	112.6	I659 K660 D661	M657-I659 PolarHBondContact O-N 3.41Å; M657-K660 WeakPolarHBondContact O-CB 3.32Å; M657-K660 PolarHBondContact O-N 3.19Å; M657-K660 HydrophobicContact SD-CD 4.32Å; M657-D661 VanDerWaalsContact O-CG 3.27Å; M657-D661 PolarHBondContact O-N 3.47Å
658	E	93.9	Very high	94.9	Very high	123 Å²	123	61.1 Å²	61.1	58%	0.575	33%	0.332	S	S	*	.	H	α-helix	trans	-63	-43.9	-179.1	-64.6	180	-178.9	0	0	111.5	L597 N656 K660 D661 V662	L597-E658 HydrophobicContact CD1-CB 4.3Å; L597-E658 HydrophobicContact CD2-CB 4.44Å; L597-E658 WeakPolarHBondContact CD2-OE2 3.44Å; N656-E658 PolarHBondContact O-N 2.95Å; N656-E658 PolarHBondContact OD1-N 3.19Å; E658-K660 VanDerWaalsContact C-N 3.32Å; E658-K660 PolarHBondContact O-N 3.48Å; E658-D661 PolarHBondContact O-N 2.93Å; E658-V662 WeakPolarHBondContact O-CG2 3.41Å; E658-V662 PolarHBondContact O-N 3.41Å; E658-V662 VanDerWaalsContact O-N 3.12Å
659	I	95	Very high	94.8	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.118	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-43.7	176.7	-64.8	178.3	0	0	0	110	L596 L597 L600 H651 N656 M657 A663	L596-I659 HydrophobicContact CD2-CD1 4.17Å; L596-I659 HydrophobicContact CD2-CG2 4.01Å; L596-I659 HydrophobicContact CG-CG2 4.39Å; L597-I659 HydrophobicContact CB-CG1 4.36Å; L597-I659 HydrophobicContact CD1-CG1 4.27Å; L600-I659 HydrophobicContact CD1-CG2 3.85Å; H651-I659 HydrophobicContact CB-CG2 4.38Å; N656-I659 HydrophobicContact CB-CB 4.19Å; N656-I659 HydrophobicContact CB-CD1 3.95Å; N656-I659 HydrophobicContact CB-CG1 4.13Å; N656-I659 PolarHBondContact O-N 2.95Å; N656-I659 PolarHBondContact OD1-N 3.19Å; M657-I659 PolarHBondContact O-N 3.41Å; I659-A663 WeakPolarHBondContact O-CB 3.38Å; I659-A663 PolarHBondContact O-N 3.48Å
660	K	96.1	Very high	94.8	Very high	85 Å²	85	58.4 Å²	58.4	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-45.8	179.7	-177.5	-169.4	170	-168.1	0	111.5	S652 N656 M657 E658 S664	S652-K660 WeakPolarHBondContact O-CG 3.42Å; N656-K660 WeakPolarHBondContact O-CB 3.14Å; N656-K660 PolarHBondContact O-N 3Å; M657-K660 WeakPolarHBondContact O-CB 3.32Å; M657-K660 PolarHBondContact O-N 3.19Å; M657-K660 HydrophobicContact SD-CD 4.32Å; E658-K660 VanDerWaalsContact C-N 3.32Å; E658-K660 PolarHBondContact O-N 3.48Å; K660-S664 VanDerWaalsContact O-CB 3.28Å; K660-S664 WeakPolarHBondContact O-CB 3.44Å; K660-S664 PolarHBondContact O-N 3.5Å; K660-S664 PolarHBondContact O-OG 3.47Å
661	D	95.6	Very high	94.8	Very high	92 Å²	92	53.5 Å²	53.5	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-48.7	-176.7	-69	-19.4	0	0	0	111.2	M657 E658 S664 C665	M657-D661 VanDerWaalsContact O-CG 3.27Å; M657-D661 PolarHBondContact O-N 3.47Å; E658-D661 PolarHBondContact O-N 2.93Å; D661-S664 PolarHBondContact O-N 3.28Å; D661-C665 PolarHBondContact O-N 2.86Å
662	V	96.2	Very high	94.7	Very high	21 Å²	21	51.5 Å²	51.5	13%	0.127	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-46	177	-178.8	0	0	0	0	110.6	L597 L600 K601 E658 S664 C665 V666	L597-V662 HydrophobicContact CD1-CB 4.39Å; L597-V662 HydrophobicContact CD1-CG2 3.94Å; L600-V662 HydrophobicContact CB-CB 4.46Å; L600-V662 HydrophobicContact CB-CG1 3.68Å; K601-V662 HydrophobicContact CG-CG1 4.11Å; K601-V662 HydrophobicContact CG-CG2 4.37Å; E658-V662 WeakPolarHBondContact O-CG2 3.41Å; E658-V662 PolarHBondContact O-N 3.41Å; E658-V662 VanDerWaalsContact O-N 3.12Å; V662-S664 VanDerWaalsContact C-N 3.29Å; V662-S664 PolarHBondContact O-N 3.16Å; V662-C665 WeakPolarHBondContact O-CB 3.21Å; V662-C665 PolarHBondContact O-N 3.45Å; V662-C665 VanDerWaalsContact O-N 3.15Å; V662-V666 HydrophobicContact CG1-CG2 4.48Å; V662-V666 WeakPolarHBondContact O-CG2 3.28Å; V662-V666 PolarHBondContact O-N 2.56Å
663	A	97.1	Very high	94.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-40.1	177.1	0	0	0	0	0	112.1	L600 H651 I659 C665 V666 V667	L600-A663 HydrophobicContact CD1-CB 4.01Å; L600-A663 HydrophobicContact CD2-CB 4.34Å; H651-A663 HydrophobicContact CB-CB 3.89Å; I659-A663 WeakPolarHBondContact O-CB 3.38Å; I659-A663 PolarHBondContact O-N 3.48Å; A663-C665 VanDerWaalsContact C-N 3.35Å; A663-V666 PolarHBondContact O-N 3.09Å; A663-V667 VanDerWaalsContact O-CG2 3.3Å; A663-V667 WeakPolarHBondContact O-CG2 3.5Å; A663-V667 PolarHBondContact O-N 3.33Å
664	S	95.9	Very high	94.8	Very high	48 Å²	48	48.1 Å²	48.1	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-38.9	176.6	-59.7	0	0	0	0	111.9	K660 D661 V662 V667 L668	K660-S664 VanDerWaalsContact O-CB 3.28Å; K660-S664 WeakPolarHBondContact O-CB 3.44Å; K660-S664 PolarHBondContact O-N 3.5Å; K660-S664 PolarHBondContact O-OG 3.47Å; D661-S664 PolarHBondContact O-N 3.28Å; V662-S664 VanDerWaalsContact C-N 3.29Å; V662-S664 PolarHBondContact O-N 3.16Å; S664-V667 PolarHBondContact O-N 3.5Å; S664-L668 WeakPolarHBondContact O-CB 3.48Å; S664-L668 PolarHBondContact O-N 2.98Å
665	C	95	Very high	94.9	Very high	39 Å²	39	49.1 Å²	49.1	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-45.1	173	-169.9	0	0	0	0	111.5	E604 D661 V662 A663 V667 L668 Q669	E604-C665 PolarHBondContact OE1-SG 3.34Å; D661-C665 PolarHBondContact O-N 2.86Å; V662-C665 WeakPolarHBondContact O-CB 3.21Å; V662-C665 PolarHBondContact O-N 3.45Å; V662-C665 VanDerWaalsContact O-N 3.15Å; A663-C665 VanDerWaalsContact C-N 3.35Å; C665-V667 PolarHBondContact O-N 3.29Å; C665-L668 WeakPolarHBondContact O-CB 3.47Å; C665-L668 PolarHBondContact O-N 3.34Å; C665-Q669 WeakPolarHBondContact O-CG 3.21Å; C665-Q669 PolarHBondContact O-N 3.44Å; C665-Q669 PolarHBondContact SG-NE2 3.25Å
666	V	96.6	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-44.4	176.6	175.8	0	0	0	0	111.4	L600 M603 E604 L607 S648 V662 A663 L668 Q669 L670	L600-V666 WeakPolarHBondContact O-CG2 3.43Å; M603-V666 HydrophobicContact CB-CG1 4.32Å; M603-V666 HydrophobicContact CB-CG2 4.41Å; E604-V666 HydrophobicContact CB-CG2 3.69Å; E604-V666 HydrophobicContact CG-CG2 4.32Å; L607-V666 HydrophobicContact CD1-CG1 3.7Å; S648-V666 WeakPolarHBondContact OG-CG1 3.46Å; V662-V666 HydrophobicContact CG1-CG2 4.48Å; V662-V666 WeakPolarHBondContact O-CG2 3.28Å; V662-V666 PolarHBondContact O-N 2.56Å; A663-V666 PolarHBondContact O-N 3.09Å; V666-L668 VanDerWaalsContact C-N 3.33Å; V666-L668 PolarHBondContact O-N 3.4Å; V666-Q669 PolarHBondContact O-N 2.92Å; V666-L670 HydrophobicContact CG1-CD1 3.64Å; V666-L670 HydrophobicContact CG1-CG 4.38Å; V666-L670 WeakPolarHBondContact O-CB 3.37Å; V666-L670 WeakPolarHBondContact O-CG 3.22Å; V666-L670 PolarHBondContact O-N 2.87Å
667	V	96.8	Very high	95.1	Very high	20 Å²	20	38.3 Å²	38.3	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-43.7	174.6	169.4	0	0	0	0	111.1	Y645 L649 A663 S664 C665 L670 S671	Y645-V667 HydrophobicContact CE2-CG1 3.82Å; L649-V667 HydrophobicContact CB-CG2 4.27Å; L649-V667 HydrophobicContact CD1-CG1 4.49Å; A663-V667 VanDerWaalsContact O-CG2 3.3Å; A663-V667 WeakPolarHBondContact O-CG2 3.5Å; A663-V667 PolarHBondContact O-N 3.33Å; S664-V667 PolarHBondContact O-N 3.5Å; C665-V667 PolarHBondContact O-N 3.29Å; V667-L670 PolarHBondContact O-N 3.08Å; V667-S671 WeakPolarHBondContact O-CB 3.34Å; V667-S671 PolarHBondContact O-N 3.41Å
668	L	94.5	Very high	95.2	Very high	76 Å²	76	36.4 Å²	36.4	40%	0.398	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-47	177.2	178.9	63.8	0	0	0	111.2	S664 C665 V666 S671 L717	S664-L668 WeakPolarHBondContact O-CB 3.48Å; S664-L668 PolarHBondContact O-N 2.98Å; C665-L668 WeakPolarHBondContact O-CB 3.47Å; C665-L668 PolarHBondContact O-N 3.34Å; V666-L668 VanDerWaalsContact C-N 3.33Å; V666-L668 PolarHBondContact O-N 3.4Å; L668-S671 WeakPolarHBondContact O-CB 3.38Å; L668-S671 PolarHBondContact O-N 2.93Å; L668-S671 PolarHBondContact O-OG 3.15Å; L668-L717 HydrophobicContact CD1-CD2 4.49Å; L668-L717 HydrophobicContact CD2-CD2 4.19Å; L668-L717 HydrophobicContact CG-CD2 3.91Å
669	Q	94.9	Very high	95.3	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-39.2	178.7	-69.6	-174.5	33	0	0	112.7	E604 L607 N611 C665 V666 S671 T672	E604-Q669 VanDerWaalsContact CG-NE2 3.32Å; E604-Q669 PolarHBondContact O-OE1 3.27Å; E604-Q669 VanDerWaalsContact O-OE1 3.11Å; L607-Q669 HydrophobicContact CB-CB 4.09Å; N611-Q669 PolarHBondContact ND2-O 3.35Å; C665-Q669 WeakPolarHBondContact O-CG 3.21Å; C665-Q669 PolarHBondContact O-N 3.44Å; C665-Q669 PolarHBondContact SG-NE2 3.25Å; V666-Q669 PolarHBondContact O-N 2.92Å; Q669-S671 VanDerWaalsContact C-N 3.31Å; Q669-S671 PolarHBondContact O-N 3.35Å; Q669-T672 PolarHBondContact O-N 3Å
670	L	96.1	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-29.3	175.3	-76.5	163.5	0	0	0	112.3	L607 V641 L644 Y645 V666 V667 T672 L673 R674	L607-L670 HydrophobicContact CD1-CD1 4.1Å; L607-L670 HydrophobicContact CD1-CD2 3.96Å; L607-L670 HydrophobicContact CD1-CG 3.66Å; L607-L670 HydrophobicContact CD2-CD2 3.6Å; L607-L670 HydrophobicContact CD2-CG 4.14Å; L607-L670 HydrophobicContact CG-CD2 4.44Å; V641-L670 HydrophobicContact CG1-CD2 4.33Å; L644-L670 HydrophobicContact CB-CD1 3.78Å; L644-L670 HydrophobicContact CB-CD2 3.92Å; L644-L670 HydrophobicContact CD1-CD2 4.32Å; Y645-L670 HydrophobicContact CD2-CB 3.92Å; V666-L670 HydrophobicContact CG1-CD1 3.64Å; V666-L670 HydrophobicContact CG1-CG 4.38Å; V666-L670 WeakPolarHBondContact O-CB 3.37Å; V666-L670 WeakPolarHBondContact O-CG 3.22Å; V666-L670 PolarHBondContact O-N 2.87Å; V667-L670 PolarHBondContact O-N 3.08Å; L670-T672 PolarHBondContact O-N 3.11Å; L670-L673 PolarHBondContact O-N 2.95Å; L670-L673 VanDerWaalsContact O-N 3.16Å; L670-R674 VanDerWaalsContact O-CB 3.3Å; L670-R674 WeakPolarHBondContact O-CB 3.5Å; L670-R674 PolarHBondContact O-N 3.29Å
671	S	94.2	Very high	95.3	Very high	27 Å²	27	29.6 Å²	29.6	19%	0.189	17%	0.166	C	C	.	.	H	α-helix	trans	-58	-35.8	178	77	0	0	0	0	112.4	V667 L668 Q669 S675 R715	V667-S671 WeakPolarHBondContact O-CB 3.34Å; V667-S671 PolarHBondContact O-N 3.41Å; L668-S671 WeakPolarHBondContact O-CB 3.38Å; L668-S671 PolarHBondContact O-N 2.93Å; L668-S671 PolarHBondContact O-OG 3.15Å; Q669-S671 VanDerWaalsContact C-N 3.31Å; Q669-S671 PolarHBondContact O-N 3.35Å; S671-S675 WeakPolarHBondContact O-CB 3.49Å; S671-S675 PolarHBondContact O-N 3.29Å; S671-R715 PolarHBondContact OG-NH1 3.48Å
672	T	92.4	Very high	95.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-50.6	175	-54.9	0	0	0	0	111.2	N611 Q669 L670 R674 S675 I676 L714	N611-T672 WeakPolarHBondContact OD1-CB 3.34Å; N611-T672 WeakPolarHBondContact OD1-CG2 3.44Å; Q669-T672 PolarHBondContact O-N 3Å; L670-T672 PolarHBondContact O-N 3.11Å; T672-R674 VanDerWaalsContact C-N 3.34Å; T672-R674 PolarHBondContact O-N 3.15Å; T672-S675 PolarHBondContact O-N 2.83Å; T672-I676 WeakPolarHBondContact O-CG1 3.31Å; T672-I676 PolarHBondContact O-N 3.25Å; T672-L714 HydrophobicContact CG2-CD2 4.48Å
673	L	95.2	Very high	95.2	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-42.4	178.6	-83.1	65.2	0	0	0	111.3	L607 F610 N611 I614 L634 V641 L670 S675 I676 V677	L607-L673 HydrophobicContact CD2-CD2 3.8Å; F610-L673 HydrophobicContact CB-CD2 4.37Å; N611-L673 WeakPolarHBondContact OD1-CD1 3.49Å; I614-L673 HydrophobicContact CD1-CD1 3.55Å; I614-L673 HydrophobicContact CD1-CG 3.98Å; L634-L673 HydrophobicContact CD2-CD2 4.02Å; L634-L673 HydrophobicContact CD2-CG 4.27Å; V641-L673 HydrophobicContact CG1-CB 3.91Å; L670-L673 PolarHBondContact O-N 2.95Å; L670-L673 VanDerWaalsContact O-N 3.16Å; L673-S675 VanDerWaalsContact C-N 3.35Å; L673-S675 PolarHBondContact O-N 3.46Å; L673-I676 WeakPolarHBondContact O-CB 3.32Å; L673-I676 PolarHBondContact O-N 2.91Å; L673-V677 WeakPolarHBondContact O-CG2 3.41Å; L673-V677 PolarHBondContact O-N 2.91Å
674	R	95	Very high	95.1	Very high	60 Å²	60	31.7 Å²	31.7	23%	0.226	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-41.7	177.8	-164.3	179.4	-173.4	-175	8.6	111.7	V641 E642 E646 L670 T672 I676 V677 N678	V641-R674 HydrophobicContact CG1-CB 4.36Å; E642-R674 VanDerWaalsContact CD-NE 3.33Å; E642-R674 VanDerWaalsContact OE1-CG 3.23Å; E642-R674 WeakPolarHBondContact OE1-CG 3.22Å; E642-R674 IonicContact OE1-CZ 2.97Å; E642-R674 IonicContact OE1-NE 3.86Å; E642-R674 PolarHBondContact OE1-NE 3.27Å; E642-R674 IonicContact OE1-NH2 3.55Å; E642-R674 IonicContact OE2-CZ 2.93Å; E642-R674 IonicContact OE2-NE 3.95Å; E642-R674 PolarHBondContact OE2-NE 3.12Å; E642-R674 IonicContact OE2-NH2 3.89Å; E642-R674 PolarHBondContact OE2-NH2 3.32Å; E646-R674 IonicContact OE1-NH1 3.11Å; E646-R674 IonicContact OE1-NH2 3.55Å; L670-R674 VanDerWaalsContact O-CB 3.3Å; L670-R674 WeakPolarHBondContact O-CB 3.5Å; L670-R674 PolarHBondContact O-N 3.29Å; T672-R674 VanDerWaalsContact C-N 3.34Å; T672-R674 PolarHBondContact O-N 3.15Å; R674-I676 VanDerWaalsContact C-N 3.32Å; R674-I676 PolarHBondContact O-N 3.4Å; R674-V677 PolarHBondContact O-N 3.47Å; R674-N678 WeakPolarHBondContact O-CB 3.39Å; R674-N678 VanDerWaalsContact O-CG 3.3Å; R674-N678 PolarHBondContact O-N 3.33Å; R674-N678 PolarHBondContact O-ND2 3.27Å
675	S	94.1	Very high	95	Very high	54 Å²	54	32 Å²	32	38%	0.378	19%	0.187	S	C	.	.	H	α-helix	trans	-61.7	-40.4	176.1	-168.9	0	0	0	0	112	S671 T672 L673 H679	S671-S675 WeakPolarHBondContact O-CB 3.49Å; S671-S675 PolarHBondContact O-N 3.29Å; T672-S675 PolarHBondContact O-N 2.83Å; L673-S675 VanDerWaalsContact C-N 3.35Å; L673-S675 PolarHBondContact O-N 3.46Å; S675-H679 VanDerWaalsContact O-CB 3.29Å; S675-H679 WeakPolarHBondContact O-CB 3.47Å; S675-H679 PolarHBondContact O-N 3.32Å
676	I	94.7	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-51.2	176.8	-67	167.7	0	0	0	110.2	I614 Y631 T672 L673 R674 N678 H679 F680 L712 L714	I614-I676 HydrophobicContact CD1-CD1 3.78Å; I614-I676 HydrophobicContact CG1-CD1 4.11Å; I614-I676 HydrophobicContact CG2-CD1 3.73Å; Y631-I676 HydrophobicContact CD1-CG2 3.44Å; Y631-I676 VanDerWaalsContact CD1-CG2 3.44Å; Y631-I676 HydrophobicContact CE1-CB 4.46Å; Y631-I676 HydrophobicContact CE1-CD1 3.94Å; Y631-I676 HydrophobicContact CE1-CG1 4.12Å; Y631-I676 HydrophobicContact CE1-CG2 3.5Å; T672-I676 WeakPolarHBondContact O-CG1 3.31Å; T672-I676 PolarHBondContact O-N 3.25Å; L673-I676 WeakPolarHBondContact O-CB 3.32Å; L673-I676 PolarHBondContact O-N 2.91Å; R674-I676 VanDerWaalsContact C-N 3.32Å; R674-I676 PolarHBondContact O-N 3.4Å; I676-N678 PolarHBondContact O-N 2.95Å; I676-H679 PolarHBondContact O-N 3.29Å; I676-F680 HydrophobicContact CG2-CD2 3.81Å; I676-F680 HydrophobicContact CG2-CE2 3.98Å; I676-F680 WeakPolarHBondContact O-CD2 3.21Å; I676-F680 PolarHBondContact O-N 2.97Å; I676-L712 HydrophobicContact CG1-CD1 4.16Å; I676-L712 HydrophobicContact CG1-CD2 4.29Å; I676-L714 HydrophobicContact CD1-CD2 3.68Å; I676-L714 HydrophobicContact CG1-CD2 3.66Å
677	V	95.7	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-48.6	-179.8	163.7	0	0	0	0	111	H638 V641 L673 R674 F680 N681	H638-V677 HydrophobicContact CB-CB 4.49Å; H638-V677 HydrophobicContact CB-CG1 3.31Å; H638-V677 HydrophobicContact CB-CG2 4.36Å; V641-V677 HydrophobicContact CG2-CG2 4.43Å; L673-V677 WeakPolarHBondContact O-CG2 3.41Å; L673-V677 PolarHBondContact O-N 2.91Å; R674-V677 PolarHBondContact O-N 3.47Å; V677-F680 PolarHBondContact O-N 3.19Å; V677-N681 WeakPolarHBondContact CG1-ND2 3.39Å; V677-N681 VanDerWaalsContact O-CB 3.23Å; V677-N681 WeakPolarHBondContact O-CB 3.35Å; V677-N681 VanDerWaalsContact O-CG 3.29Å; V677-N681 PolarHBondContact O-N 3.24Å; V677-N681 PolarHBondContact O-ND2 3.22Å
678	N	94.9	Very high	94.5	Very high	80 Å²	80	37.4 Å²	37.4	43%	0.428	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-40.9	-179.4	-73.6	-21.6	0	0	0	112.5	R674 I676 A682	R674-N678 WeakPolarHBondContact O-CB 3.39Å; R674-N678 VanDerWaalsContact O-CG 3.3Å; R674-N678 PolarHBondContact O-N 3.33Å; R674-N678 PolarHBondContact O-ND2 3.27Å; I676-N678 PolarHBondContact O-N 2.95Å; N678-A682 WeakPolarHBondContact O-CB 3.32Å; N678-A682 PolarHBondContact O-N 2.77Å; N678-A682 VanDerWaalsContact O-N 3.07Å
679	H	96.1	Very high	94.5	Very high	38 Å²	38	38.8 Å²	38.8	18%	0.176	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-54.8	176	178.6	74.3	0	0	0	111.5	S675 I676 A682 K683 N708 S711 L712	S675-H679 VanDerWaalsContact O-CB 3.29Å; S675-H679 WeakPolarHBondContact O-CB 3.47Å; S675-H679 PolarHBondContact O-N 3.32Å; I676-H679 PolarHBondContact O-N 3.29Å; H679-A682 PolarHBondContact O-N 2.98Å; H679-K683 WeakPolarHBondContact O-CG 3.34Å; H679-K683 PolarHBondContact O-N 3.46Å; H679-K683 VanDerWaalsContact O-N 3.17Å; H679-N708 PolarHBondContact NE2-O 2.98Å; H679-S711 PolarHBondContact CE1-O 3.1Å; H679-S711 VanDerWaalsContact CE1-O 3.26Å; H679-S711 PolarHBondContact CE1-OG 3.39Å; H679-S711 PolarHBondContact NE2-OG 3.37Å; H679-S711 VanDerWaalsContact NE2-OG 3.11Å; H679-L712 HydrophobicContact CB-CD1 3.89Å
680	F	95.9	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-72.9	-33.4	-176.6	-73	-66.7	0	0	0	112.9	Y631 I635 I676 V677 A682 K683 I684 V705 N708 L712	Y631-F680 HydrophobicContact CD1-CD2 4.13Å; Y631-F680 AromaticContact CD1-CE2 3.45Å; Y631-F680 HydrophobicContact CD1-CE2 3.45Å; Y631-F680 VanDerWaalsContact CD1-CE2 3.45Å; Y631-F680 HydrophobicContact CD1-CZ 4.22Å; Y631-F680 AromaticContact CE1-CE2 3.87Å; Y631-F680 HydrophobicContact CE1-CE2 3.87Å; I635-F680 HydrophobicContact CD1-CB 3.45Å; I635-F680 VanDerWaalsContact CD1-CB 3.45Å; I635-F680 HydrophobicContact CD1-CD2 4.12Å; I635-F680 HydrophobicContact CD1-CG 3.82Å; I635-F680 HydrophobicContact CG1-CB 3.84Å; I635-F680 HydrophobicContact CG1-CG 4.48Å; I676-F680 HydrophobicContact CG2-CD2 3.81Å; I676-F680 HydrophobicContact CG2-CE2 3.98Å; I676-F680 WeakPolarHBondContact O-CD2 3.21Å; I676-F680 PolarHBondContact O-N 2.97Å; V677-F680 PolarHBondContact O-N 3.19Å; F680-A682 VanDerWaalsContact C-N 3.3Å; F680-A682 PolarHBondContact O-N 2.66Å; F680-K683 PolarHBondContact O-N 2.91Å; F680-I684 WeakPolarHBondContact O-CB 3.5Å; F680-I684 WeakPolarHBondContact O-CD1 3.3Å; F680-I684 WeakPolarHBondContact O-CG1 3.46Å; F680-I684 PolarHBondContact O-N 3.2Å; F680-V705 HydrophobicContact CD1-CG2 4.01Å; F680-V705 HydrophobicContact CE1-CB 4.2Å; F680-V705 HydrophobicContact CE1-CG1 4.21Å; F680-V705 HydrophobicContact CE1-CG2 4.15Å; F680-V705 HydrophobicContact CG-CG2 4.4Å; F680-V705 HydrophobicContact CZ-CG1 4.17Å; F680-N708 HydrophobicContact CE1-CB 4.08Å; F680-L712 HydrophobicContact CE2-CD1 4.35Å; F680-L712 HydrophobicContact CE2-CD2 3.98Å; F680-L712 HydrophobicContact CZ-CD2 4.32Å
681	N	94.3	Very high	94.1	Very high	49 Å²	49	48.3 Å²	48.3	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-39.1	172.3	-80.8	-21.2	0	0	0	111.9	V677 I684 A685	V677-N681 WeakPolarHBondContact CG1-ND2 3.39Å; V677-N681 VanDerWaalsContact O-CB 3.23Å; V677-N681 WeakPolarHBondContact O-CB 3.35Å; V677-N681 VanDerWaalsContact O-CG 3.29Å; V677-N681 PolarHBondContact O-N 3.24Å; V677-N681 PolarHBondContact O-ND2 3.22Å; N681-I684 PolarHBondContact O-N 2.85Å; N681-A685 WeakPolarHBondContact O-CB 3.42Å; N681-A685 PolarHBondContact O-N 3.49Å
682	A	94.9	Very high	93.9	Very high	62 Å²	62	54.1 Å²	54.1	51%	0.512	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-41.1	174.3	0	0	0	0	0	112.1	N678 H679 F680 A685 S686	N678-A682 WeakPolarHBondContact O-CB 3.32Å; N678-A682 PolarHBondContact O-N 2.77Å; N678-A682 VanDerWaalsContact O-N 3.07Å; H679-A682 PolarHBondContact O-N 2.98Å; F680-A682 VanDerWaalsContact C-N 3.3Å; F680-A682 PolarHBondContact O-N 2.66Å; A682-A685 PolarHBondContact O-N 2.93Å; A682-S686 WeakPolarHBondContact O-CB 3.39Å; A682-S686 PolarHBondContact O-N 3.19Å
683	K	95.1	Very high	93.7	Very high	68 Å²	68	56 Å²	56	30%	0.296	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-40.9	175.7	-62.9	-63.1	-174.6	147.8	0	112.5	H679 F680 S686 F687 I704 N708	H679-K683 WeakPolarHBondContact O-CG 3.34Å; H679-K683 PolarHBondContact O-N 3.46Å; H679-K683 VanDerWaalsContact O-N 3.17Å; F680-K683 PolarHBondContact O-N 2.91Å; K683-S686 PolarHBondContact O-N 3.13Å; K683-F687 WeakPolarHBondContact O-CB 3.02Å; K683-F687 PolarHBondContact O-N 2.64Å; K683-I704 HydrophobicContact CB-CG2 3.86Å; K683-N708 WeakPolarHBondContact CD-OD1 3.43Å; K683-N708 VanDerWaalsContact CE-OD1 3.29Å; K683-N708 WeakPolarHBondContact CE-OD1 3.37Å; K683-N708 HydrophobicContact CG-CB 4.3Å; K683-N708 PolarHBondContact NZ-OD1 3.41Å
684	I	94.3	Very high	93	Very high	27 Å²	27	62.7 Å²	62.7	14%	0.138	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.2	-69.7	163.1	0	0	0	110.6	I635 F680 N681 S686 F687 S688 L696 V701 I704	I635-I684 HydrophobicContact CD1-CD1 4.47Å; I635-I684 HydrophobicContact CG2-CD1 3.71Å; F680-I684 WeakPolarHBondContact O-CB 3.5Å; F680-I684 WeakPolarHBondContact O-CD1 3.3Å; F680-I684 WeakPolarHBondContact O-CG1 3.46Å; F680-I684 PolarHBondContact O-N 3.2Å; N681-I684 PolarHBondContact O-N 2.85Å; I684-S686 VanDerWaalsContact C-N 3.33Å; I684-S686 PolarHBondContact O-N 2.92Å; I684-F687 PolarHBondContact O-N 3.49Å; I684-S688 VanDerWaalsContact O-CB 3.29Å; I684-S688 WeakPolarHBondContact O-CB 3.47Å; I684-S688 PolarHBondContact O-N 3.47Å; I684-L696 HydrophobicContact CG2-CD1 4.2Å; I684-L696 HydrophobicContact CG2-CD2 4.13Å; I684-V701 HydrophobicContact CD1-CG1 3.95Å; I684-I704 HydrophobicContact CG1-CD1 4.16Å; I684-I704 HydrophobicContact CG1-CG2 4.25Å
685	A	93.6	Very high	92.6	Very high	54 Å²	54	64.1 Å²	64.1	45%	0.446	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-41.4	175.8	0	0	0	0	0	111.8	N681 A682 S688 T689	N681-A685 WeakPolarHBondContact O-CB 3.42Å; N681-A685 PolarHBondContact O-N 3.49Å; A682-A685 PolarHBondContact O-N 2.93Å; A685-S688 PolarHBondContact O-N 2.76Å; A685-T689 WeakPolarHBondContact O-CB 3.4Å; A685-T689 PolarHBondContact O-N 3.14Å; A685-T689 PolarHBondContact O-OG1 3.49Å
686	S	93.8	Very high	92.4	Very high	77 Å²	77	63.5 Å²	63.5	54%	0.538	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-44.9	175.1	-177.7	0	0	0	0	112.1	A682 K683 I684 T689 L690	A682-S686 WeakPolarHBondContact O-CB 3.39Å; A682-S686 PolarHBondContact O-N 3.19Å; K683-S686 PolarHBondContact O-N 3.13Å; I684-S686 VanDerWaalsContact C-N 3.33Å; I684-S686 PolarHBondContact O-N 2.92Å; S686-T689 PolarHBondContact O-N 2.93Å; S686-L690 WeakPolarHBondContact O-CB 3.49Å; S686-L690 PolarHBondContact O-N 2.94Å
687	F	93.2	Very high	92.3	Very high	65 Å²	65	67.3 Å²	67.3	29%	0.285	40%	0.397	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.1	-176.1	-85.1	0	0	0	112.5	K683 I684 T689 L690 N691 L696 I704	K683-F687 WeakPolarHBondContact O-CB 3.02Å; K683-F687 PolarHBondContact O-N 2.64Å; I684-F687 PolarHBondContact O-N 3.49Å; F687-T689 VanDerWaalsContact C-N 3.31Å; F687-T689 PolarHBondContact O-N 3.3Å; F687-L690 PolarHBondContact O-N 3.09Å; F687-N691 WeakPolarHBondContact CD1-ND2 3.49Å; F687-N691 VanDerWaalsContact CD2-ND2 3.3Å; F687-N691 WeakPolarHBondContact CD2-ND2 3.26Å; F687-N691 HydrophobicContact CE1-CB 4.37Å; F687-N691 VanDerWaalsContact CE1-ND2 3.32Å; F687-N691 WeakPolarHBondContact CE1-ND2 3.46Å; F687-N691 WeakPolarHBondContact CE2-ND2 3.29Å; F687-N691 WeakPolarHBondContact CG-ND2 3.48Å; F687-N691 WeakPolarHBondContact CZ-ND2 3.48Å; F687-N691 WeakPolarHBondContact O-CB 3.29Å; F687-N691 PolarHBondContact O-N 3.18Å; F687-N691 PolarHBondContact O-ND2 3.06Å; F687-L696 HydrophobicContact CD1-CD2 3.77Å; F687-L696 HydrophobicContact CD1-CG 4.42Å; F687-L696 HydrophobicContact CE1-CD2 4.19Å; F687-I704 HydrophobicContact CB-CD1 3.63Å; F687-I704 HydrophobicContact CB-CG1 4.22Å; F687-I704 HydrophobicContact CD1-CD1 3.73Å; F687-I704 HydrophobicContact CD1-CG1 4.49Å; F687-I704 HydrophobicContact CD2-CD1 3.98Å; F687-I704 HydrophobicContact CD2-CG1 3.9Å; F687-I704 HydrophobicContact CE1-CD1 4.37Å; F687-I704 HydrophobicContact CE2-CG1 4.37Å; F687-I704 HydrophobicContact CG-CD1 3.5Å; F687-I704 HydrophobicContact CG-CG1 3.96Å
688	S	92.6	Very high	92.1	Very high	31 Å²	31	71.2 Å²	71.2	22%	0.217	42%	0.415	C	S	.	.	H	α-helix	trans	-58.7	-44.4	175.8	171.4	0	0	0	0	111.1	I684 A685 N692 V693	I684-S688 VanDerWaalsContact O-CB 3.29Å; I684-S688 WeakPolarHBondContact O-CB 3.47Å; I684-S688 PolarHBondContact O-N 3.47Å; A685-S688 PolarHBondContact O-N 2.76Å; S688-N692 WeakPolarHBondContact O-CA 3.38Å; S688-N692 PolarHBondContact O-N 3.38Å; S688-V693 WeakPolarHBondContact CB-O 3.22Å; S688-V693 PolarHBondContact O-N 2.94Å; S688-V693 VanDerWaalsContact O-N 3.08Å; S688-V693 PolarHBondContact OG-O 3.39Å
689	T	92.8	Very high	92.1	Very high	105 Å²	105	72.7 Å²	72.7	64%	0.644	42%	0.423	S	S	*	.	H	α-helix	trans	-67.5	-43.5	177.9	-52.7	0	0	0	0	111.7	A685 S686 F687	A685-T689 WeakPolarHBondContact O-CB 3.4Å; A685-T689 PolarHBondContact O-N 3.14Å; A685-T689 PolarHBondContact O-OG1 3.49Å; S686-T689 PolarHBondContact O-N 2.93Å; F687-T689 VanDerWaalsContact C-N 3.31Å; F687-T689 PolarHBondContact O-N 3.3Å
690	L	92.5	Very high	92	Very high	135 Å²	135	73.8 Å²	73.8	71%	0.707	43%	0.428	S	S	*	.	H	α-helix	trans	-67.4	-38.4	-178.3	-173.2	67.9	0	0	0	112.6	S686 F687	S686-L690 WeakPolarHBondContact O-CB 3.49Å; S686-L690 PolarHBondContact O-N 2.94Å; F687-L690 PolarHBondContact O-N 3.09Å
691	N	90.8	Very high	92	Very high	77 Å²	77	74.5 Å²	74.5	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-98.1	1	-176.1	-63.2	-62.5	0	0	0	113.8	F687 V693	F687-N691 WeakPolarHBondContact CD1-ND2 3.49Å; F687-N691 VanDerWaalsContact CD2-ND2 3.3Å; F687-N691 WeakPolarHBondContact CD2-ND2 3.26Å; F687-N691 HydrophobicContact CE1-CB 4.37Å; F687-N691 VanDerWaalsContact CE1-ND2 3.32Å; F687-N691 WeakPolarHBondContact CE1-ND2 3.46Å; F687-N691 WeakPolarHBondContact CE2-ND2 3.29Å; F687-N691 WeakPolarHBondContact CG-ND2 3.48Å; F687-N691 WeakPolarHBondContact CZ-ND2 3.48Å; F687-N691 WeakPolarHBondContact O-CB 3.29Å; F687-N691 PolarHBondContact O-N 3.18Å; F687-N691 PolarHBondContact O-ND2 3.06Å; N691-V693 VanDerWaalsContact C-N 3.28Å; N691-V693 HydrophobicContact CB-CG2 4.05Å; N691-V693 WeakPolarHBondContact O-CG2 3.48Å; N691-V693 PolarHBondContact O-N 3.42Å
692	N	89.7	Confident	92	Very high	148 Å²	148	72.7 Å²	72.7	79%	0.791	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	41.1	-174.9	-64	-55.9	0	0	0	113.5	S688	S688-N692 WeakPolarHBondContact O-CA 3.38Å; S688-N692 PolarHBondContact O-N 3.38Å
693	V	88.6	Confident	92	Very high	43 Å²	43	73.9 Å²	73.9	26%	0.261	42%	0.42	S	S	.	.			trans	-111	120.9	-179.9	-179.4	0	0	0	0	109.7	S688 N691 S695	S688-V693 WeakPolarHBondContact CB-O 3.22Å; S688-V693 PolarHBondContact O-N 2.94Å; S688-V693 VanDerWaalsContact O-N 3.08Å; S688-V693 PolarHBondContact OG-O 3.39Å; N691-V693 VanDerWaalsContact C-N 3.28Å; N691-V693 HydrophobicContact CB-CG2 4.05Å; N691-V693 WeakPolarHBondContact O-CG2 3.48Å; N691-V693 PolarHBondContact O-N 3.42Å; V693-S695 WeakPolarHBondContact CG1-O 3.36Å
694	T	80.5	Confident	92	Very high	143 Å²	143	71.1 Å²	71.1	88%	0.877	41%	0.409	S	S	*	.	S	Bend	trans	-80.8	-27.2	-178.2	46.7	0	0	0	0	114
695	S	86	Confident	92.1	Very high	91 Å²	91	69.8 Å²	69.8	64%	0.636	40%	0.402	S	S	*	.	S	Bend	trans	-135.1	121.6	179.5	61.4	0	0	0	0	110.9	V693	V693-S695 WeakPolarHBondContact CG1-O 3.36Å
696	L	89.8	Confident	92.2	Very high	41 Å²	41	72.4 Å²	72.4	22%	0.215	40%	0.4	C	S	.	.			trans	-89.4	145.3	178.5	-73	76.4	0	0	0	110.8	I684 F687 Q700 V701 I704	I684-L696 HydrophobicContact CG2-CD1 4.2Å; I684-L696 HydrophobicContact CG2-CD2 4.13Å; F687-L696 HydrophobicContact CD1-CD2 3.77Å; F687-L696 HydrophobicContact CD1-CG 4.42Å; F687-L696 HydrophobicContact CE1-CD2 4.19Å; L696-Q700 HydrophobicContact CB-CB 4.21Å; L696-Q700 HydrophobicContact CD2-CB 4.29Å; L696-Q700 HydrophobicContact CG-CB 4.45Å; L696-V701 HydrophobicContact CB-CG2 3.82Å; L696-V701 HydrophobicContact CD2-CG2 4.23Å; L696-I704 HydrophobicContact CD2-CD1 3.3Å
697	T	92.3	Very high	92.2	Very high	80 Å²	80	72 Å²	72	49%	0.491	40%	0.402	S	S	.	.			trans	-74.9	159.6	167.8	61.2	0	0	0	0	111	N699 Q700 V701	T697-N699 VanDerWaalsContact C-N 3.28Å; T697-N699 PolarHBondContact O-N 3.26Å; T697-Q700 PolarHBondContact O-N 2.58Å; T697-Q700 VanDerWaalsContact O-N 3.1Å; T697-Q700 VanDerWaalsContact OG1-CG 3.26Å; T697-Q700 WeakPolarHBondContact OG1-CG 3.35Å; T697-Q700 PolarHBondContact OG1-N 2.9Å; T697-Q700 PolarHBondContact OG1-OE1 2.91Å; T697-Q700 VanDerWaalsContact OG1-OE1 3.09Å; T697-V701 PolarHBondContact O-N 2.87Å
698	E	93	Very high	92.3	Very high	82 Å²	82	70.4 Å²	70.4	38%	0.383	40%	0.396	S	S	.	.	H	α-helix	trans	-52.1	-46.4	175.7	178.1	169.4	-169.7	0	0	111.9	Y632 Q700 V701 L702	Y632-E698 HydrophobicContact CD2-CG 4.42Å; Y632-E698 HydrophobicContact CE1-CG 4.02Å; Y632-E698 HydrophobicContact CE2-CB 4.21Å; Y632-E698 HydrophobicContact CE2-CG 3.89Å; E698-Q700 PolarHBondContact O-N 3.17Å; E698-V701 PolarHBondContact O-N 2.98Å; E698-L702 HydrophobicContact CG-CD1 4.11Å; E698-L702 WeakPolarHBondContact O-CG 3.4Å; E698-L702 PolarHBondContact O-N 2.97Å
699	N	93.9	Very high	92.3	Very high	111 Å²	111	71.8 Å²	71.8	59%	0.594	40%	0.397	S	S	*	.	H	α-helix	trans	-61.9	-41.2	177.8	-66.5	-25.2	0	0	0	112.7	T697 V701 L702 D703	T697-N699 VanDerWaalsContact C-N 3.28Å; T697-N699 PolarHBondContact O-N 3.26Å; N699-V701 VanDerWaalsContact C-N 3.32Å; N699-V701 PolarHBondContact O-N 3.47Å; N699-L702 PolarHBondContact O-N 3.1Å; N699-D703 PolarHBondContact O-N 3.4Å
700	Q	94	Very high	92.2	Very high	61 Å²	61	73.7 Å²	73.7	29%	0.285	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-37.6	176.9	-75.5	169.4	-36.4	0	0	112	L696 T697 E698 D703 I704	L696-Q700 HydrophobicContact CB-CB 4.21Å; L696-Q700 HydrophobicContact CD2-CB 4.29Å; L696-Q700 HydrophobicContact CG-CB 4.45Å; T697-Q700 PolarHBondContact O-N 2.58Å; T697-Q700 VanDerWaalsContact O-N 3.1Å; T697-Q700 VanDerWaalsContact OG1-CG 3.26Å; T697-Q700 WeakPolarHBondContact OG1-CG 3.35Å; T697-Q700 PolarHBondContact OG1-N 2.9Å; T697-Q700 PolarHBondContact OG1-OE1 2.91Å; T697-Q700 VanDerWaalsContact OG1-OE1 3.09Å; E698-Q700 PolarHBondContact O-N 3.17Å; Q700-D703 PolarHBondContact O-N 3.17Å; Q700-I704 WeakPolarHBondContact O-CD1 3.43Å; Q700-I704 VanDerWaalsContact O-CG1 3.29Å; Q700-I704 WeakPolarHBondContact O-CG1 3.41Å; Q700-I704 PolarHBondContact O-N 3.44Å; Q700-I704 VanDerWaalsContact O-N 3.14Å
701	V	95.4	Very high	92.2	Very high	15 Å²	15	69.5 Å²	69.5	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-66.9	-43.9	175.2	179.7	0	0	0	0	110.4	Y632 I635 I684 L696 T697 E698 N699 D703 I704 V705	Y632-V701 HydrophobicContact CD2-CB 3.96Å; Y632-V701 HydrophobicContact CD2-CG1 3.71Å; Y632-V701 HydrophobicContact CE2-CB 4.02Å; Y632-V701 HydrophobicContact CE2-CG1 4.11Å; Y632-V701 HydrophobicContact CE2-CG2 4.45Å; I635-V701 HydrophobicContact CD1-CG1 4.46Å; I684-V701 HydrophobicContact CD1-CG1 3.95Å; L696-V701 HydrophobicContact CB-CG2 3.82Å; L696-V701 HydrophobicContact CD2-CG2 4.23Å; T697-V701 PolarHBondContact O-N 2.87Å; E698-V701 PolarHBondContact O-N 2.98Å; N699-V701 VanDerWaalsContact C-N 3.32Å; N699-V701 PolarHBondContact O-N 3.47Å; V701-D703 VanDerWaalsContact C-N 3.31Å; V701-D703 PolarHBondContact O-N 3.15Å; V701-I704 WeakPolarHBondContact O-CB 3.37Å; V701-I704 PolarHBondContact O-N 3.35Å; V701-V705 WeakPolarHBondContact O-CG2 3.5Å; V701-V705 PolarHBondContact O-N 3.19Å
702	L	95.8	Very high	92.2	Very high	10 Å²	10	67 Å²	67	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-40.3	176.2	-71.8	167.9	0	0	0	112	D628 Y632 E698 N699 I704 V705 R706	D628-L702 HydrophobicContact CB-CD2 3.82Å; Y632-L702 HydrophobicContact CG-CD2 4.37Å; E698-L702 HydrophobicContact CG-CD1 4.11Å; E698-L702 WeakPolarHBondContact O-CG 3.4Å; E698-L702 PolarHBondContact O-N 2.97Å; N699-L702 PolarHBondContact O-N 3.1Å; L702-I704 VanDerWaalsContact C-N 3.33Å; L702-I704 PolarHBondContact O-N 3.28Å; L702-V705 WeakPolarHBondContact O-CB 3.39Å; L702-V705 PolarHBondContact O-N 2.93Å; L702-R706 WeakPolarHBondContact O-CG 3.09Å; L702-R706 PolarHBondContact O-N 2.98Å
703	D	95.2	Very high	92.2	Very high	88 Å²	88	65.2 Å²	65.2	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-39.1	176.3	-68.5	-22.7	0	0	0	111.9	N699 Q700 V701 R706 A707	N699-D703 PolarHBondContact O-N 3.4Å; Q700-D703 PolarHBondContact O-N 3.17Å; V701-D703 VanDerWaalsContact C-N 3.31Å; V701-D703 PolarHBondContact O-N 3.15Å; D703-R706 IonicContact OD1-NH1 3.39Å; D703-R706 PolarHBondContact OD1-NH1 3.14Å; D703-A707 WeakPolarHBondContact O-CB 3.34Å; D703-A707 PolarHBondContact O-N 3.42Å; D703-A707 VanDerWaalsContact O-N 3.09Å
704	I	95	Very high	92.1	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.046	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-42.5	173.3	-66.3	163.6	0	0	0	110.8	K683 I684 F687 L696 Q700 V701 L702 A707 N708	K683-I704 HydrophobicContact CB-CG2 3.86Å; I684-I704 HydrophobicContact CG1-CD1 4.16Å; I684-I704 HydrophobicContact CG1-CG2 4.25Å; F687-I704 HydrophobicContact CB-CD1 3.63Å; F687-I704 HydrophobicContact CB-CG1 4.22Å; F687-I704 HydrophobicContact CD1-CD1 3.73Å; F687-I704 HydrophobicContact CD1-CG1 4.49Å; F687-I704 HydrophobicContact CD2-CD1 3.98Å; F687-I704 HydrophobicContact CD2-CG1 3.9Å; F687-I704 HydrophobicContact CE1-CD1 4.37Å; F687-I704 HydrophobicContact CE2-CG1 4.37Å; F687-I704 HydrophobicContact CG-CD1 3.5Å; F687-I704 HydrophobicContact CG-CG1 3.96Å; L696-I704 HydrophobicContact CD2-CD1 3.3Å; Q700-I704 WeakPolarHBondContact O-CD1 3.43Å; Q700-I704 VanDerWaalsContact O-CG1 3.29Å; Q700-I704 WeakPolarHBondContact O-CG1 3.41Å; Q700-I704 PolarHBondContact O-N 3.44Å; Q700-I704 VanDerWaalsContact O-N 3.14Å; V701-I704 WeakPolarHBondContact O-CB 3.37Å; V701-I704 PolarHBondContact O-N 3.35Å; L702-I704 VanDerWaalsContact C-N 3.33Å; L702-I704 PolarHBondContact O-N 3.28Å; I704-A707 PolarHBondContact O-N 2.9Å; I704-N708 PolarHBondContact O-N 2.98Å; I704-N708 PolarHBondContact O-ND2 2.93Å
705	V	95.3	Very high	92.4	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-53.6	178.2	169.5	0	0	0	0	110.4	I635 F680 V701 L702 A707 N708 Y709	I635-V705 HydrophobicContact CD1-CG2 3.67Å; F680-V705 HydrophobicContact CD1-CG2 4.01Å; F680-V705 HydrophobicContact CE1-CB 4.2Å; F680-V705 HydrophobicContact CE1-CG1 4.21Å; F680-V705 HydrophobicContact CE1-CG2 4.15Å; F680-V705 HydrophobicContact CG-CG2 4.4Å; F680-V705 HydrophobicContact CZ-CG1 4.17Å; V701-V705 WeakPolarHBondContact O-CG2 3.5Å; V701-V705 PolarHBondContact O-N 3.19Å; L702-V705 WeakPolarHBondContact O-CB 3.39Å; L702-V705 PolarHBondContact O-N 2.93Å; V705-A707 PolarHBondContact O-N 3.37Å; V705-N708 PolarHBondContact O-N 3.15Å; V705-N708 VanDerWaalsContact O-N 3.07Å; V705-Y709 HydrophobicContact CG1-CE1 4.35Å; V705-Y709 HydrophobicContact CG1-CE2 3.82Å; V705-Y709 WeakPolarHBondContact CG1-OH 3.4Å; V705-Y709 PolarHBondContact O-N 3.39Å
706	R	95.2	Very high	92.2	Very high	109 Å²	109	69.2 Å²	69.2	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-56.4	-38.2	179.4	-70.6	168.3	-178.7	157.5	-6.9	112.8	D625 D628 L702 D703 N708	D625-R706 IonicContact OD1-CZ 2.66Å; D625-R706 IonicContact OD1-NH2 2.77Å; D625-R706 PolarHBondContact OD1-NH2 2.9Å; D628-R706 WeakPolarHBondContact OD2-CG 3.35Å; D628-R706 IonicContact OD2-CZ 3.36Å; D628-R706 IonicContact OD2-NE 3.99Å; D628-R706 PolarHBondContact OD2-NE 2.96Å; D628-R706 IonicContact OD2-NH2 3.52Å; L702-R706 WeakPolarHBondContact O-CG 3.09Å; L702-R706 PolarHBondContact O-N 2.98Å; D703-R706 IonicContact OD1-NH1 3.39Å; D703-R706 PolarHBondContact OD1-NH1 3.14Å; R706-N708 VanDerWaalsContact C-N 3.3Å; R706-N708 PolarHBondContact O-N 3.5Å
707	A	94.6	Very high	92	Very high	69 Å²	69	67.9 Å²	67.9	57%	0.57	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.2	-178.2	0	0	0	0	0	114.8	D703 I704 V705	D703-A707 WeakPolarHBondContact O-CB 3.34Å; D703-A707 PolarHBondContact O-N 3.42Å; D703-A707 VanDerWaalsContact O-N 3.09Å; I704-A707 PolarHBondContact O-N 2.9Å; V705-A707 PolarHBondContact O-N 3.37Å
708	N	94.9	Very high	91.5	Very high	30 Å²	30	71 Å²	71	16%	0.16	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	16.6	-170.6	-69.5	-91.2	0	0	0	114.7	H679 F680 K683 I704 V705 R706 D710 S711	H679-N708 PolarHBondContact NE2-O 2.98Å; F680-N708 HydrophobicContact CE1-CB 4.08Å; K683-N708 WeakPolarHBondContact CD-OD1 3.43Å; K683-N708 VanDerWaalsContact CE-OD1 3.29Å; K683-N708 WeakPolarHBondContact CE-OD1 3.37Å; K683-N708 HydrophobicContact CG-CB 4.3Å; K683-N708 PolarHBondContact NZ-OD1 3.41Å; I704-N708 PolarHBondContact O-N 2.98Å; I704-N708 PolarHBondContact O-ND2 2.93Å; V705-N708 PolarHBondContact O-N 3.15Å; V705-N708 VanDerWaalsContact O-N 3.07Å; R706-N708 VanDerWaalsContact C-N 3.3Å; R706-N708 PolarHBondContact O-N 3.5Å; N708-D710 VanDerWaalsContact C-N 3.34Å; N708-S711 PolarHBondContact O-N 3.12Å; N708-S711 PolarHBondContact O-OG 3.42Å
709	Y	91.9	Very high	91	Very high	61 Å²	61	71.4 Å²	71.4	24%	0.239	36%	0.363	C	S	.	.	S	Bend	trans	-62.5	-38.2	175.5	-86.5	-64.4	0	0	0	113.5	Y627 D628 Y631 V705 S711 L712	Y627-Y709 HydrophobicContact CD1-CE1 4.19Å; Y627-Y709 AromaticContact CE1-CE1 3.85Å; Y627-Y709 HydrophobicContact CE1-CE1 3.85Å; D628-Y709 WeakPolarHBondContact CA-OH 3.35Å; D628-Y709 VanDerWaalsContact OD1-CE2 3.3Å; D628-Y709 WeakPolarHBondContact OD1-CE2 3.46Å; D628-Y709 PolarHBondContact OD1-OH 2.89Å; D628-Y709 VanDerWaalsContact OD1-OH 3.13Å; Y631-Y709 HydrophobicContact CD1-CE1 4.35Å; Y631-Y709 HydrophobicContact CD2-CE1 4.17Å; Y631-Y709 HydrophobicContact CE1-CE1 4.21Å; Y631-Y709 HydrophobicContact CE2-CE1 4.05Å; Y631-Y709 HydrophobicContact CG-CE1 4.3Å; V705-Y709 HydrophobicContact CG1-CE1 4.35Å; V705-Y709 HydrophobicContact CG1-CE2 3.82Å; V705-Y709 WeakPolarHBondContact CG1-OH 3.4Å; V705-Y709 PolarHBondContact O-N 3.39Å; Y709-S711 PolarHBondContact O-N 3.43Å; Y709-L712 WeakPolarHBondContact O-CB 3.47Å; Y709-L712 PolarHBondContact O-N 3.11Å; Y709-L712 VanDerWaalsContact O-N 3.1Å
710	D	90.9	Very high	90.6	Very high	144 Å²	144	66.8 Å²	66.8	77%	0.77	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-32.4	178.6	60.8	-27.7	0	0	0	113.5	N708	N708-D710 VanDerWaalsContact C-N 3.34Å
711	S	92.9	Very high	90.2	Very high	48 Å²	48	67.4 Å²	67.4	34%	0.336	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.6	178.4	64	0	0	0	0	114.4	H679 N708 Y709	H679-S711 PolarHBondContact CE1-O 3.1Å; H679-S711 VanDerWaalsContact CE1-O 3.26Å; H679-S711 PolarHBondContact CE1-OG 3.39Å; H679-S711 PolarHBondContact NE2-OG 3.37Å; H679-S711 VanDerWaalsContact NE2-OG 3.11Å; N708-S711 PolarHBondContact O-N 3.12Å; N708-S711 PolarHBondContact O-OG 3.42Å; Y709-S711 PolarHBondContact O-N 3.43Å
712	L	92	Very high	89.9	Confident	23 Å²	23	72.8 Å²	72.8	12%	0.12	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-89.2	121.5	-178.7	179.6	72	0	0	0	111.3	Y631 I676 H679 F680 Y709 L714	Y631-L712 HydrophobicContact CE1-CD2 3.56Å; I676-L712 HydrophobicContact CG1-CD1 4.16Å; I676-L712 HydrophobicContact CG1-CD2 4.29Å; H679-L712 HydrophobicContact CB-CD1 3.89Å; F680-L712 HydrophobicContact CE2-CD1 4.35Å; F680-L712 HydrophobicContact CE2-CD2 3.98Å; F680-L712 HydrophobicContact CZ-CD2 4.32Å; Y709-L712 WeakPolarHBondContact O-CB 3.47Å; Y709-L712 PolarHBondContact O-N 3.11Å; Y709-L712 VanDerWaalsContact O-N 3.1Å; L712-L714 HydrophobicContact CD2-CD2 3.88Å; L712-L714 HydrophobicContact CD2-CG 4.28Å; L712-L714 HydrophobicContact CG-CD2 4.13Å; L712-L714 HydrophobicContact CG-CG 4.43Å
713	T	88.2	Confident	89.6	Confident	111 Å²	111	74.1 Å²	74.1	68%	0.681	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-100.3	119.2	173	55.3	0	0	0	0	111
714	L	87.6	Confident	89.2	Confident	67 Å²	67	73.3 Å²	73.3	35%	0.351	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-96.7	144.4	177.2	-63.4	177.4	0	0	0	111.5	I614 L615 T672 I676 L712	I614-L714 HydrophobicContact CG2-CD1 3.92Å; I614-L714 HydrophobicContact CG2-CD2 4.01Å; L615-L714 HydrophobicContact CD2-CB 4.19Å; L615-L714 HydrophobicContact CD2-CD1 4.19Å; T672-L714 HydrophobicContact CG2-CD2 4.48Å; I676-L714 HydrophobicContact CD1-CD2 3.68Å; I676-L714 HydrophobicContact CG1-CD2 3.66Å; L712-L714 HydrophobicContact CD2-CD2 3.88Å; L712-L714 HydrophobicContact CD2-CG 4.28Å; L712-L714 HydrophobicContact CG-CD2 4.13Å; L712-L714 HydrophobicContact CG-CG 4.43Å
715	R	85.7	Confident	88.9	Confident	140 Å²	140	79.6 Å²	79.6	53%	0.528	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-83.3	133.8	172.7	-172.9	177	-122.4	175.6	-4.4	109.5	S671	S671-R715 PolarHBondContact OG-NH1 3.48Å
716	F	82.2	Confident	88.6	Confident	154 Å²	154	80.9 Å²	80.9	68%	0.675	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-70.6	135	171	-178	-104.7	0	0	0	110.3	E718	F716-E718 HydrophobicContact CD1-CG 4.25Å; F716-E718 HydrophobicContact CE1-CG 3.63Å
717	L	86.8	Confident	88.2	Confident	14 Å²	14	83.1 Å²	83.1	7%	0.073	42%	0.415	C	S	.	.			trans	-122.7	128.9	174.9	-69.6	171.5	0	0	0	108.1	N611 L615 L668 L720	N611-L717 HydrophobicContact CB-CD1 3.64Å; N611-L717 VanDerWaalsContact OD1-CD1 3.23Å; N611-L717 WeakPolarHBondContact OD1-CD1 3.38Å; L615-L717 HydrophobicContact CD1-CB 4.08Å; L615-L717 HydrophobicContact CD1-CD1 4.45Å; L615-L717 HydrophobicContact CD1-CG 4.48Å; L668-L717 HydrophobicContact CD1-CD2 4.49Å; L668-L717 HydrophobicContact CD2-CD2 4.19Å; L668-L717 HydrophobicContact CG-CD2 3.91Å; L717-L720 HydrophobicContact CB-CD1 3.58Å; L717-L720 HydrophobicContact CB-CG 4.15Å; L717-L720 HydrophobicContact CD1-CD1 4.15Å
718	E	81.4	Confident	87.7	Confident	145 Å²	145	84.1 Å²	84.1	68%	0.678	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	154.9	-178.5	-72	177.8	-169.8	0	0	111.9	F716 L720	F716-E718 HydrophobicContact CD1-CG 4.25Å; F716-E718 HydrophobicContact CE1-CG 3.63Å; E718-L720 PolarHBondContact O-N 3.47Å; E718-L720 VanDerWaalsContact O-N 3.09Å
719	N	81.4	Confident	87.3	Confident	91 Å²	91	85.3 Å²	85.3	49%	0.487	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	12.8	166.5	-56.1	-43.9	0	0	0	117.1	D721 K722	N719-D721 PolarHBondContact O-N 2.99Å; N719-K722 HydrophobicContact CB-CD 3.97Å; N719-K722 HydrophobicContact CB-CG 4.44Å; N719-K722 PolarHBondContact O-N 3.1Å; N719-K722 WeakPolarHBondContact OD1-CE 3.48Å; N719-K722 PolarHBondContact OD1-NZ 3.41Å
720	L	86.5	Confident	87.1	Confident	13 Å²	13	89.1 Å²	89.1	7%	0.068	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.7	177.5	-70.8	172.6	0	0	0	113.5	Q555 Q608 N611 F612 L615 L717 E718	Q555-L720 PolarHBondContact NE2-O 3.15Å; Q608-L720 HydrophobicContact CB-CD2 4.09Å; Q608-L720 HydrophobicContact CG-CD2 4.22Å; N611-L720 HydrophobicContact CB-CD1 3.85Å; N611-L720 HydrophobicContact CB-CD2 4.27Å; F612-L720 HydrophobicContact CD2-CB 4.32Å; F612-L720 WeakPolarHBondContact CD2-O 3.44Å; L615-L720 HydrophobicContact CD1-CD1 3.55Å; L717-L720 HydrophobicContact CB-CD1 3.58Å; L717-L720 HydrophobicContact CB-CG 4.15Å; L717-L720 HydrophobicContact CD1-CD1 4.15Å; E718-L720 PolarHBondContact O-N 3.47Å; E718-L720 VanDerWaalsContact O-N 3.09Å
721	D	85.3	Confident	87	Confident	75 Å²	75	85.9 Å²	85.9	40%	0.401	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	15.4	-176.5	62.8	-21.2	0	0	0	114.7	K562 F612 N719	K562-D721 HydrophobicContact CD-CB 3.99Å; K562-D721 IonicContact NZ-OD2 2.7Å; K562-D721 PolarHBondContact NZ-OD2 2.99Å; F612-D721 HydrophobicContact CE2-CB 4.13Å; N719-D721 PolarHBondContact O-N 2.99Å
722	K	89.3	Confident	86.9	Confident	127 Å²	127	83.6 Å²	83.6	55%	0.552	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-79.7	134.4	169.8	-68.4	-175.1	173.3	170.6	0	109.4	C559 N719	C559-K722 PolarHBondContact SG-O 3.39Å; N719-K722 HydrophobicContact CB-CD 3.97Å; N719-K722 HydrophobicContact CB-CG 4.44Å; N719-K722 PolarHBondContact O-N 3.1Å; N719-K722 WeakPolarHBondContact OD1-CE 3.48Å; N719-K722 PolarHBondContact OD1-NZ 3.41Å
723	I	89.2	Confident	86.8	Confident	38 Å²	38	85.3 Å²	85.3	20%	0.195	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-67.7	131.5	164.8	-64.2	176.3	0	0	0	106.5	Q482 Q484 C559 M563	Q482-I723 HydrophobicContact CB-CG2 4Å; Q484-I723 HydrophobicContact CG-CD1 3.61Å; C559-I723 HydrophobicContact CB-CG1 4.09Å; M563-I723 HydrophobicContact SD-CD1 4.44Å
724	E	87.9	Confident	87	Confident	71 Å²	71	84.9 Å²	84.9	33%	0.332	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-94.5	121	179	-171.3	171	154.3	0	0	109.1	I552 N556 K605	I552-E724 WeakPolarHBondContact CD1-OE1 3.09Å; I552-E724 HydrophobicContact CG2-CB 4.29Å; N556-E724 PolarHBondContact ND2-O 3.11Å; N556-E724 PolarHBondContact OD1-N 2.81Å; N556-E724 PolarHBondContact OD1-O 3.1Å; K605-E724 WeakPolarHBondContact CE-OE2 3.29Å; K605-E724 IonicContact NZ-OE2 3.11Å; K605-E724 PolarHBondContact NZ-OE2 3.41Å
725	E	87.8	Confident	87.2	Confident	141 Å²	141	81.9 Å²	81.9	66%	0.659	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-78.2	146.1	174.9	-65.2	-179.3	-169.9	0	0	109.8	E727	E725-E727 PolarHBondContact O-N 3.38Å; E725-E727 VanDerWaalsContact O-N 3.11Å
726	F	88.6	Confident	87.5	Confident	28 Å²	28	76 Å²	76	12%	0.123	37%	0.374	C	S	.	.			trans	-66.8	111.2	175	171	-104.5	0	0	0	110.4	Y302 I475 C478 L549 N728 D732	Y302-F726 HydrophobicContact CE2-CD1 4.5Å; Y302-F726 HydrophobicContact CE2-CE1 4.22Å; I475-F726 HydrophobicContact CB-CE2 4.31Å; I475-F726 HydrophobicContact CB-CZ 4.45Å; I475-F726 HydrophobicContact CD1-CE2 3.92Å; I475-F726 HydrophobicContact CD1-CZ 3.75Å; I475-F726 HydrophobicContact CG1-CD2 4.34Å; I475-F726 HydrophobicContact CG1-CE2 3.65Å; I475-F726 HydrophobicContact CG1-CZ 3.93Å; I475-F726 HydrophobicContact CG2-CD1 4.01Å; I475-F726 HydrophobicContact CG2-CD2 4.09Å; I475-F726 HydrophobicContact CG2-CE1 3.75Å; I475-F726 HydrophobicContact CG2-CE2 3.84Å; I475-F726 HydrophobicContact CG2-CG 4.18Å; I475-F726 HydrophobicContact CG2-CZ 3.67Å; C478-F726 HydrophobicContact CB-CB 4.27Å; L549-F726 HydrophobicContact CD2-CD2 3.94Å; L549-F726 HydrophobicContact CD2-CE2 4.04Å; F726-N728 HydrophobicContact CE1-CB 4.49Å; F726-D732 HydrophobicContact CZ-CB 4.49Å
727	E	86.4	Confident	87.9	Confident	155 Å²	155	72.9 Å²	72.9	72%	0.724	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-100.2	131.7	170.3	-65.8	-177	-178.7	0	0	110.6	R545 E725 E729	R545-E727 PolarHBondContact NH2-O 2.69Å; E725-E727 PolarHBondContact O-N 3.38Å; E725-E727 VanDerWaalsContact O-N 3.11Å; E727-E729 PolarHBondContact O-N 3.07Å
728	N	84.3	Confident	88	Confident	91 Å²	91	75.1 Å²	75.1	49%	0.487	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-75.3	116.6	-177	-164.9	-2.5	0	0	0	110.2	F726 D732	F726-N728 HydrophobicContact CE1-CB 4.49Å; N728-D732 WeakPolarHBondContact OD1-CB 3.32Å
729	E	87.6	Confident	88.4	Confident	55 Å²	55	68.4 Å²	68.4	26%	0.257	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-94.5	167	175.6	-68.2	-177.1	-161.2	0	0	111.9	R545 R548 E727 E731 D732 S733	R545-E729 WeakPolarHBondContact CD-OE2 3.33Å; R545-E729 VanDerWaalsContact CZ-CD 3.42Å; R545-E729 IonicContact CZ-OE1 3.86Å; R545-E729 VanDerWaalsContact CZ-OE1 3.32Å; R545-E729 IonicContact CZ-OE2 3.28Å; R545-E729 IonicContact NE-OE1 2.83Å; R545-E729 IonicContact NE-OE2 2.65Å; R545-E729 VanDerWaalsContact NH1-CD 3.27Å; R545-E729 IonicContact NH1-OE1 2.69Å; R545-E729 PolarHBondContact NH1-OE1 3.14Å; R545-E729 IonicContact NH1-OE2 3.68Å; R545-E729 IonicContact NH2-OE1 2.79Å; R548-E729 IonicContact CZ-OE1 3.28Å; R548-E729 IonicContact CZ-OE2 3.64Å; R548-E729 IonicContact NE-OE1 2.87Å; R548-E729 IonicContact NE-OE2 3.86Å; R548-E729 IonicContact NH2-OE1 2.56Å; R548-E729 IonicContact NH2-OE2 3.65Å; R548-E729 PolarHBondContact NH2-OE2 3.39Å; E727-E729 PolarHBondContact O-N 3.07Å; E729-E731 PolarHBondContact O-N 3.23Å; E729-D732 PolarHBondContact N-OD2 3.35Å; E729-D732 WeakPolarHBondContact O-CB 3.45Å; E729-D732 PolarHBondContact O-N 3.49Å; E729-S733 PolarHBondContact O-N 3.05Å; E729-S733 VanDerWaalsContact O-N 3.1Å; E729-S733 PolarHBondContact O-OG 3.09Å
730	N	86.9	Confident	88.8	Confident	141 Å²	141	64.5 Å²	64.5	75%	0.754	32%	0.321	S	S	*	.	H	α-helix	trans	-56.5	-37.5	176.3	-70.7	-25	0	0	0	112.6	D732 S733 I734	N730-D732 VanDerWaalsContact C-N 3.32Å; N730-D732 PolarHBondContact O-N 2.82Å; N730-S733 PolarHBondContact O-N 2.98Å; N730-I734 WeakPolarHBondContact O-CG1 3.24Å; N730-I734 PolarHBondContact O-N 3.36Å; N730-I734 VanDerWaalsContact O-N 3.1Å
731	E	88.4	Confident	88.9	Confident	76 Å²	76	66.5 Å²	66.5	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-35.7	177.6	-62.2	-162	162.5	0	0	112.5	H544 R545 E729 I734 M735	H544-E731 IonicContact CE1-OE1 2.69Å; H544-E731 PolarHBondContact CE1-OE1 3.02Å; H544-E731 IonicContact CE1-OE2 3.34Å; H544-E731 IonicContact NE2-OE1 3.62Å; H544-E731 PolarHBondContact NE2-OE1 2.73Å; H544-E731 IonicContact NE2-OE2 3.56Å; R545-E731 WeakPolarHBondContact CB-OE2 3.43Å; E729-E731 PolarHBondContact O-N 3.23Å; E731-I734 PolarHBondContact O-N 3.47Å; E731-M735 WeakPolarHBondContact O-CB 3.16Å; E731-M735 PolarHBondContact O-N 2.81Å
732	D	92	Very high	88.9	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.1	-43.1	178.4	-53.8	-18.6	0	0	0	109.4	H471 R545 F726 N728 E729 N730 I734 M735 F736	H471-D732 IonicContact CE1-OD1 3.77Å; H471-D732 PolarHBondContact CE1-OD1 2.85Å; H471-D732 IonicContact NE2-OD1 3.56Å; H471-D732 PolarHBondContact NE2-OD1 2.84Å; R545-D732 IonicContact CZ-OD1 2.71Å; R545-D732 IonicContact CZ-OD2 3.48Å; R545-D732 IonicContact NE-OD1 3.68Å; R545-D732 PolarHBondContact NE-OD1 3.18Å; R545-D732 IonicContact NE-OD2 3.46Å; R545-D732 PolarHBondContact NE-OD2 2.9Å; R545-D732 IonicContact NH2-OD1 2.81Å; R545-D732 IonicContact NH2-OD2 3.08Å; R545-D732 PolarHBondContact NH2-OD2 3.27Å; F726-D732 HydrophobicContact CZ-CB 4.49Å; N728-D732 WeakPolarHBondContact OD1-CB 3.32Å; E729-D732 PolarHBondContact N-OD2 3.35Å; E729-D732 WeakPolarHBondContact O-CB 3.45Å; E729-D732 PolarHBondContact O-N 3.49Å; N730-D732 VanDerWaalsContact C-N 3.32Å; N730-D732 PolarHBondContact O-N 2.82Å; D732-I734 VanDerWaalsContact C-N 3.32Å; D732-I734 PolarHBondContact O-N 3.46Å; D732-M735 CarbonylContact O-C 3.56Å; D732-M735 WeakPolarHBondContact O-CA 3.17Å; D732-M735 WeakPolarHBondContact O-CB 3.3Å; D732-M735 PolarHBondContact O-N 3.41Å; D732-M735 VanDerWaalsContact O-N 3.1Å; D732-F736 HydrophobicContact CB-CE2 4.39Å; D732-F736 WeakPolarHBondContact O-CD2 3.32Å; D732-F736 PolarHBondContact O-N 3.17Å
733	S	90.3	Very high	88.8	Confident	59 Å²	59	58 Å²	58	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-40.6	174.8	-64.6	0	0	0	0	112.6	E729 N730 H737	E729-S733 PolarHBondContact O-N 3.05Å; E729-S733 VanDerWaalsContact O-N 3.1Å; E729-S733 PolarHBondContact O-OG 3.09Å; N730-S733 PolarHBondContact O-N 2.98Å; S733-H737 WeakPolarHBondContact O-CB 3.43Å; S733-H737 PolarHBondContact O-N 3.4Å
734	I	91.3	Very high	88.8	Confident	101 Å²	101	56.2 Å²	56.2	52%	0.518	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-43.3	174	-67	164	0	0	0	110.5	N730 E731 D732 H737 N738	N730-I734 WeakPolarHBondContact O-CG1 3.24Å; N730-I734 PolarHBondContact O-N 3.36Å; N730-I734 VanDerWaalsContact O-N 3.1Å; E731-I734 PolarHBondContact O-N 3.47Å; D732-I734 VanDerWaalsContact C-N 3.32Å; D732-I734 PolarHBondContact O-N 3.46Å; I734-H737 WeakPolarHBondContact O-CB 3.4Å; I734-H737 PolarHBondContact O-N 2.89Å; I734-N738 PolarHBondContact O-N 3.49Å; I734-N738 PolarHBondContact O-ND2 2.85Å
735	M	92.6	Very high	88.7	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-48.5	177.1	175	-82.5	-65.6	0	0	111.4	N468 H471 I475 E731 D732 H737 N738 I739	N468-M735 HydrophobicContact CB-CG 4Å; N468-M735 WeakPolarHBondContact OD1-CG 3.36Å; H471-M735 HydrophobicContact CB-CE 4.29Å; H471-M735 HydrophobicContact CB-CG 3.98Å; H471-M735 HydrophobicContact CB-SD 4.46Å; I475-M735 HydrophobicContact CD1-CE 3.32Å; E731-M735 WeakPolarHBondContact O-CB 3.16Å; E731-M735 PolarHBondContact O-N 2.81Å; D732-M735 CarbonylContact O-C 3.56Å; D732-M735 WeakPolarHBondContact O-CA 3.17Å; D732-M735 WeakPolarHBondContact O-CB 3.3Å; D732-M735 PolarHBondContact O-N 3.41Å; D732-M735 VanDerWaalsContact O-N 3.1Å; M735-H737 VanDerWaalsContact C-N 3.3Å; M735-H737 PolarHBondContact O-N 2.9Å; M735-N738 PolarHBondContact O-N 3.32Å; M735-N738 VanDerWaalsContact O-N 3.11Å; M735-I739 HydrophobicContact CG-CD1 4.28Å; M735-I739 HydrophobicContact CG-CG1 4.49Å; M735-I739 WeakPolarHBondContact O-CG1 3.32Å; M735-I739 PolarHBondContact O-N 3.31Å; M735-I739 HydrophobicContact SD-CD1 3.27Å; M735-I739 WeakPolarHBondContact SD-CD1 3.45Å; M735-I739 HydrophobicContact SD-CG1 3.91Å
736	F	90.8	Very high	88.5	Confident	17 Å²	17	51.9 Å²	51.9	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-45	175.6	-78.8	-65.9	0	0	0	111.1	L299 Y302 L472 I475 D732 N738 I739 I740	L299-F736 HydrophobicContact CD2-CD1 3.73Å; L299-F736 HydrophobicContact CD2-CE1 3.75Å; Y302-F736 AromaticContact CD1-CE1 3.77Å; Y302-F736 HydrophobicContact CD1-CE1 3.77Å; Y302-F736 AromaticContact CD1-CZ 3.96Å; Y302-F736 HydrophobicContact CD1-CZ 3.96Å; Y302-F736 AromaticContact CE1-CE1 3.55Å; Y302-F736 HydrophobicContact CE1-CE1 3.55Å; Y302-F736 HydrophobicContact CE1-CE2 4.4Å; Y302-F736 AromaticContact CE1-CZ 3.39Å; Y302-F736 HydrophobicContact CE1-CZ 3.39Å; Y302-F736 HydrophobicContact CE2-CZ 4.14Å; Y302-F736 AromaticContact CZ-CZ 3.51Å; L472-F736 HydrophobicContact CD1-CE1 3.99Å; L472-F736 HydrophobicContact CD1-CZ 4.49Å; I475-F736 HydrophobicContact CD1-CE2 4.31Å; I475-F736 HydrophobicContact CD1-CZ 4.2Å; D732-F736 HydrophobicContact CB-CE2 4.39Å; D732-F736 WeakPolarHBondContact O-CD2 3.32Å; D732-F736 PolarHBondContact O-N 3.17Å; F736-N738 VanDerWaalsContact C-N 3.34Å; F736-N738 PolarHBondContact O-N 3.05Å; F736-I739 PolarHBondContact O-N 3.44Å; F736-I740 WeakPolarHBondContact O-CB 3.45Å; F736-I740 VanDerWaalsContact O-CG1 3.26Å; F736-I740 WeakPolarHBondContact O-CG1 3.47Å; F736-I740 PolarHBondContact O-N 3.44Å
737	H	90.1	Very high	88.4	Confident	89 Å²	89	51 Å²	51	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-57.9	-45.9	176.1	-170	77.5	0	0	0	112.4	S733 I734 M735 I740 E741	S733-H737 WeakPolarHBondContact O-CB 3.43Å; S733-H737 PolarHBondContact O-N 3.4Å; I734-H737 WeakPolarHBondContact O-CB 3.4Å; I734-H737 PolarHBondContact O-N 2.89Å; M735-H737 VanDerWaalsContact C-N 3.3Å; M735-H737 PolarHBondContact O-N 2.9Å; H737-I740 PolarHBondContact O-N 3.22Å; H737-E741 WeakPolarHBondContact O-CB 3.2Å; H737-E741 PolarHBondContact O-N 3.47Å
738	N	90.5	Very high	88.5	Confident	60 Å²	60	46.1 Å²	46.1	32%	0.321	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-40.5	179.4	-67.3	-27.2	0	0	0	112.4	N468 I734 M735 F736 E741 S742	N468-N738 WeakPolarHBondContact ND2-CB 3.23Å; I734-N738 PolarHBondContact O-N 3.49Å; I734-N738 PolarHBondContact O-ND2 2.85Å; M735-N738 PolarHBondContact O-N 3.32Å; M735-N738 VanDerWaalsContact O-N 3.11Å; F736-N738 VanDerWaalsContact C-N 3.34Å; F736-N738 PolarHBondContact O-N 3.05Å; N738-E741 PolarHBondContact O-N 3.37Å; N738-S742 WeakPolarHBondContact O-CB 3.42Å; N738-S742 PolarHBondContact O-N 2.96Å
739	I	89.1	Confident	88.5	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-49.3	175.2	-70.2	-171.7	0	0	0	109.8	D295 L299 N468 L472 M735 F736 E741 S742 I743	D295-I739 HydrophobicContact CB-CG2 4.26Å; L299-I739 HydrophobicContact CD1-CG2 3.8Å; L299-I739 HydrophobicContact CD2-CG2 4.41Å; L299-I739 HydrophobicContact CG-CG2 4.21Å; N468-I739 HydrophobicContact CB-CD1 4.07Å; N468-I739 HydrophobicContact CB-CG1 3.72Å; L472-I739 HydrophobicContact CB-CD1 3.93Å; L472-I739 HydrophobicContact CD2-CD1 3.95Å; L472-I739 HydrophobicContact CG-CD1 4.49Å; M735-I739 HydrophobicContact CG-CD1 4.28Å; M735-I739 HydrophobicContact CG-CG1 4.49Å; M735-I739 WeakPolarHBondContact O-CG1 3.32Å; M735-I739 PolarHBondContact O-N 3.31Å; M735-I739 HydrophobicContact SD-CD1 3.27Å; M735-I739 WeakPolarHBondContact SD-CD1 3.45Å; M735-I739 HydrophobicContact SD-CG1 3.91Å; F736-I739 PolarHBondContact O-N 3.44Å; I739-E741 VanDerWaalsContact C-N 3.32Å; I739-E741 PolarHBondContact O-N 3.3Å; I739-S742 WeakPolarHBondContact O-CB 3.46Å; I739-S742 PolarHBondContact O-N 2.99Å; I739-S742 VanDerWaalsContact O-N 3.15Å; I739-I743 HydrophobicContact CG2-CD1 3.42Å; I739-I743 VanDerWaalsContact CG2-CD1 3.42Å; I739-I743 HydrophobicContact CG2-CG1 4.14Å; I739-I743 WeakPolarHBondContact O-CB 3.36Å; I739-I743 VanDerWaalsContact O-CG1 3.32Å; I739-I743 WeakPolarHBondContact O-CG1 3.45Å; I739-I743 PolarHBondContact O-N 3.16Å
740	I	89.4	Confident	88.4	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-41.9	179	-72.6	-57.9	0	0	0	112	L174 L215 Q218 L299 F736 H737 S742 I743 S744	L174-I740 HydrophobicContact CD1-CD1 3.94Å; L174-I740 HydrophobicContact CD1-CG1 4.29Å; L174-I740 HydrophobicContact CD1-CG2 3.73Å; L174-I740 HydrophobicContact CD2-CG2 4.26Å; L174-I740 HydrophobicContact CG-CG2 3.56Å; L215-I740 HydrophobicContact CD1-CD1 4.15Å; Q218-I740 HydrophobicContact CB-CD1 3.75Å; Q218-I740 HydrophobicContact CB-CG1 4.32Å; Q218-I740 HydrophobicContact CG-CD1 3.91Å; L299-I740 HydrophobicContact CD1-CD1 3.53Å; L299-I740 HydrophobicContact CD1-CG1 4.44Å; F736-I740 WeakPolarHBondContact O-CB 3.45Å; F736-I740 VanDerWaalsContact O-CG1 3.26Å; F736-I740 WeakPolarHBondContact O-CG1 3.47Å; F736-I740 PolarHBondContact O-N 3.44Å; H737-I740 PolarHBondContact O-N 3.22Å; I740-S742 VanDerWaalsContact C-N 3.35Å; I740-I743 PolarHBondContact O-N 3.45Å; I740-S744 VanDerWaalsContact O-CB 3.26Å; I740-S744 WeakPolarHBondContact O-CB 3.43Å; I740-S744 PolarHBondContact O-N 3.49Å; I740-S744 PolarHBondContact O-OG 3.19Å
741	E	88.6	Confident	88.4	Confident	56 Å²	56	41.3 Å²	41.3	26%	0.262	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-44.4	175.8	-177.8	177.9	-175.1	0	0	111.2	H737 N738 I739 S744 K745	H737-E741 WeakPolarHBondContact O-CB 3.2Å; H737-E741 PolarHBondContact O-N 3.47Å; N738-E741 PolarHBondContact O-N 3.37Å; I739-E741 VanDerWaalsContact C-N 3.32Å; I739-E741 PolarHBondContact O-N 3.3Å; E741-S744 PolarHBondContact O-N 2.61Å; E741-K745 VanDerWaalsContact CD-NZ 3.32Å; E741-K745 HydrophobicContact CG-CD 4.24Å; E741-K745 WeakPolarHBondContact O-CB 3.43Å; E741-K745 VanDerWaalsContact O-CG 3.29Å; E741-K745 WeakPolarHBondContact O-CG 3.42Å; E741-K745 PolarHBondContact O-N 3.27Å; E741-K745 WeakPolarHBondContact OE1-CE 3.37Å; E741-K745 IonicContact OE1-NZ 2.86Å; E741-K745 PolarHBondContact OE1-NZ 3.28Å
742	S	86.7	Confident	88.3	Confident	21 Å²	21	40.4 Å²	40.4	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-46.6	177.8	-175.5	0	0	0	0	111.9	N738 I739 I740 K745 Q746	N738-S742 WeakPolarHBondContact O-CB 3.42Å; N738-S742 PolarHBondContact O-N 2.96Å; I739-S742 WeakPolarHBondContact O-CB 3.46Å; I739-S742 PolarHBondContact O-N 2.99Å; I739-S742 VanDerWaalsContact O-N 3.15Å; I740-S742 VanDerWaalsContact C-N 3.35Å; S742-K745 PolarHBondContact O-N 2.94Å; S742-Q746 WeakPolarHBondContact O-CB 3.29Å; S742-Q746 PolarHBondContact O-N 3.08Å
743	I	86.2	Confident	87.9	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-48	177.1	-73.6	170.2	0	0	0	110.1	L215 D295 L299 I739 I740 K745 Q746 I747	L215-I743 HydrophobicContact CD1-CG2 4.12Å; D295-I743 HydrophobicContact CB-CD1 3.93Å; D295-I743 HydrophobicContact CB-CG1 4.12Å; L299-I743 HydrophobicContact CD1-CD1 3.37Å; L299-I743 HydrophobicContact CG-CD1 4.35Å; I739-I743 HydrophobicContact CG2-CD1 3.42Å; I739-I743 VanDerWaalsContact CG2-CD1 3.42Å; I739-I743 HydrophobicContact CG2-CG1 4.14Å; I739-I743 WeakPolarHBondContact O-CB 3.36Å; I739-I743 VanDerWaalsContact O-CG1 3.32Å; I739-I743 WeakPolarHBondContact O-CG1 3.45Å; I739-I743 PolarHBondContact O-N 3.16Å; I740-I743 PolarHBondContact O-N 3.45Å; I743-K745 VanDerWaalsContact C-N 3.31Å; I743-K745 PolarHBondContact O-N 3.47Å; I743-Q746 PolarHBondContact O-N 3.25Å; I743-I747 HydrophobicContact CG2-CD1 3.4Å; I743-I747 VanDerWaalsContact CG2-CD1 3.4Å; I743-I747 HydrophobicContact CG2-CG1 4.13Å; I743-I747 VanDerWaalsContact O-CG1 3.28Å; I743-I747 WeakPolarHBondContact O-CG1 3.23Å; I743-I747 PolarHBondContact O-N 3.4Å
744	S	88.4	Confident	87.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-40.7	-179.6	-57.3	0	0	0	0	111.2	I740 E741 Q746 R748	I740-S744 VanDerWaalsContact O-CB 3.26Å; I740-S744 WeakPolarHBondContact O-CB 3.43Å; I740-S744 PolarHBondContact O-N 3.49Å; I740-S744 PolarHBondContact O-OG 3.19Å; E741-S744 PolarHBondContact O-N 2.61Å; S744-Q746 VanDerWaalsContact C-N 3.34Å; S744-Q746 PolarHBondContact O-N 2.99Å; S744-R748 WeakPolarHBondContact O-CG 3.3Å; S744-R748 PolarHBondContact O-N 3.39Å; S744-R748 VanDerWaalsContact O-N 3.1Å; S744-R748 PolarHBondContact O-NH1 3.41Å
745	K	86.5	Confident	87.4	Confident	100 Å²	100	38.3 Å²	38.3	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-42.9	172.4	-76.3	170.8	-175	168.8	0	112	E741 S742 I743 K749	E741-K745 VanDerWaalsContact CD-NZ 3.32Å; E741-K745 HydrophobicContact CG-CD 4.24Å; E741-K745 WeakPolarHBondContact O-CB 3.43Å; E741-K745 VanDerWaalsContact O-CG 3.29Å; E741-K745 WeakPolarHBondContact O-CG 3.42Å; E741-K745 PolarHBondContact O-N 3.27Å; E741-K745 WeakPolarHBondContact OE1-CE 3.37Å; E741-K745 IonicContact OE1-NZ 2.86Å; E741-K745 PolarHBondContact OE1-NZ 3.28Å; S742-K745 PolarHBondContact O-N 2.94Å; I743-K745 VanDerWaalsContact C-N 3.31Å; I743-K745 PolarHBondContact O-N 3.47Å; K745-K749 PolarHBondContact O-N 3.17Å
746	Q	84.4	Confident	87.1	Confident	22 Å²	22	39.5 Å²	39.5	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-47.1	-179.6	-172.8	60.1	44.2	0	0	111.5	R292 S742 I743 S744 R748 K749 D750	R292-Q746 HydrophobicContact CB-CG 4.21Å; R292-Q746 VanDerWaalsContact NE-OE1 3.17Å; S742-Q746 WeakPolarHBondContact O-CB 3.29Å; S742-Q746 PolarHBondContact O-N 3.08Å; I743-Q746 PolarHBondContact O-N 3.25Å; S744-Q746 VanDerWaalsContact C-N 3.34Å; S744-Q746 PolarHBondContact O-N 2.99Å; Q746-R748 VanDerWaalsContact C-N 3.33Å; Q746-R748 PolarHBondContact O-N 2.99Å; Q746-K749 WeakPolarHBondContact O-CA 3.37Å; Q746-K749 WeakPolarHBondContact O-CB 3.47Å; Q746-K749 PolarHBondContact O-N 3.46Å; Q746-D750 PolarHBondContact NE2-OD1 2.91Å; Q746-D750 PolarHBondContact NE2-OD2 3.07Å; Q746-D750 VanDerWaalsContact O-CG 3.31Å; Q746-D750 PolarHBondContact O-N 2.98Å
747	I	86.4	Confident	86.8	Confident	9 Å²	9	42.3 Å²	42.3	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-48.4	176.7	-69.1	162.7	0	0	0	110.6	M165 S169 L215 I743 K749 D750 C751	M165-I747 HydrophobicContact CB-CG2 3.82Å; M165-I747 HydrophobicContact CE-CB 4.23Å; M165-I747 HydrophobicContact CE-CD1 3.27Å; M165-I747 HydrophobicContact CE-CG1 3.49Å; M165-I747 VanDerWaalsContact CE-CG1 3.49Å; M165-I747 HydrophobicContact CE-CG2 3.66Å; S169-I747 WeakPolarHBondContact OG-CG2 3.35Å; L215-I747 HydrophobicContact CD1-CD1 4.46Å; L215-I747 HydrophobicContact CD2-CD1 4.07Å; I743-I747 HydrophobicContact CG2-CD1 3.4Å; I743-I747 VanDerWaalsContact CG2-CD1 3.4Å; I743-I747 HydrophobicContact CG2-CG1 4.13Å; I743-I747 VanDerWaalsContact O-CG1 3.28Å; I743-I747 WeakPolarHBondContact O-CG1 3.23Å; I743-I747 PolarHBondContact O-N 3.4Å; I747-K749 PolarHBondContact O-N 2.89Å; I747-D750 PolarHBondContact O-N 3.46Å; I747-D750 VanDerWaalsContact O-N 3.13Å; I747-C751 WeakPolarHBondContact O-CB 3.41Å; I747-C751 PolarHBondContact O-N 3Å; I747-C751 PolarHBondContact O-SG 2.7Å; I747-C751 VanDerWaalsContact O-SG 3.33Å
748	R	87	Confident	86.5	Confident	53 Å²	53	38.6 Å²	38.6	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-34	179	-73	-170.9	-57.7	-94.3	5.9	112.7	S169 T171 S744 Q746 L752	S169-R748 VanDerWaalsContact O-CD 3.28Å; S169-R748 WeakPolarHBondContact O-CD 3.5Å; S169-R748 WeakPolarHBondContact O-CG 3.23Å; S169-R748 PolarHBondContact O-NH1 2.81Å; T171-R748 PolarHBondContact O-NH1 2.9Å; T171-R748 VanDerWaalsContact O-NH1 3.08Å; S744-R748 WeakPolarHBondContact O-CG 3.3Å; S744-R748 PolarHBondContact O-N 3.39Å; S744-R748 VanDerWaalsContact O-N 3.1Å; S744-R748 PolarHBondContact O-NH1 3.41Å; Q746-R748 VanDerWaalsContact C-N 3.33Å; Q746-R748 PolarHBondContact O-N 2.99Å; R748-L752 PolarHBondContact O-N 2.93Å
749	K	85.6	Confident	86.1	Confident	120 Å²	120	36.5 Å²	36.5	52%	0.522	18%	0.183	S	C	.	.	H	α-helix	trans	-71.6	-50.3	174.6	-173.3	-173.5	173.3	-171.1	0	110.7	K745 Q746 I747 C751 L752 D753	K745-K749 PolarHBondContact O-N 3.17Å; Q746-K749 WeakPolarHBondContact O-CA 3.37Å; Q746-K749 WeakPolarHBondContact O-CB 3.47Å; Q746-K749 PolarHBondContact O-N 3.46Å; I747-K749 PolarHBondContact O-N 2.89Å; K749-C751 PolarHBondContact O-N 3.27Å; K749-L752 PolarHBondContact O-N 2.97Å; K749-L752 VanDerWaalsContact O-N 3.17Å; K749-D753 PolarHBondContact O-N 3.5Å
750	D	85.1	Confident	85.7	Confident	57 Å²	57	40.9 Å²	40.9	31%	0.305	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-41.3	-177.2	-66.4	-12.6	0	0	0	112	Q746 I747 L752 D753 S754	Q746-D750 PolarHBondContact NE2-OD1 2.91Å; Q746-D750 PolarHBondContact NE2-OD2 3.07Å; Q746-D750 VanDerWaalsContact O-CG 3.31Å; Q746-D750 PolarHBondContact O-N 2.98Å; I747-D750 PolarHBondContact O-N 3.46Å; I747-D750 VanDerWaalsContact O-N 3.13Å; D750-L752 VanDerWaalsContact C-N 3.35Å; D750-L752 PolarHBondContact O-N 3.45Å; D750-D753 PolarHBondContact O-N 2.88Å; D750-S754 WeakPolarHBondContact O-CB 3.28Å; D750-S754 PolarHBondContact O-N 3.4Å
751	C	87.5	Confident	85.4	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-37.8	176.4	-68.4	0	0	0	0	111.8	I747 K749 S755	I747-C751 WeakPolarHBondContact O-CB 3.41Å; I747-C751 PolarHBondContact O-N 3Å; I747-C751 PolarHBondContact O-SG 2.7Å; I747-C751 VanDerWaalsContact O-SG 3.33Å; K749-C751 PolarHBondContact O-N 3.27Å; C751-S755 WeakPolarHBondContact O-CB 3.34Å; C751-S755 PolarHBondContact O-N 2.68Å
752	L	85	Confident	85	Confident	56 Å²	56	42.2 Å²	42.2	29%	0.293	21%	0.212	S	C	.	.	H	α-helix	trans	-67.9	-46.5	176.2	-179.1	63.8	0	0	0	111.5	R748 K749 D750 S755 L756	R748-L752 PolarHBondContact O-N 2.93Å; K749-L752 PolarHBondContact O-N 2.97Å; K749-L752 VanDerWaalsContact O-N 3.17Å; D750-L752 VanDerWaalsContact C-N 3.35Å; D750-L752 PolarHBondContact O-N 3.45Å; L752-S755 PolarHBondContact O-N 2.91Å; L752-L756 HydrophobicContact CG-CD1 4.41Å; L752-L756 WeakPolarHBondContact O-CG 3.49Å; L752-L756 PolarHBondContact O-N 2.9Å
753	D	84.7	Confident	84.5	Confident	71 Å²	71	47 Å²	47	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-46.6	178.8	-70.4	-20.1	0	0	0	110.3	K749 D750 S755 L756 D757	K749-D753 PolarHBondContact O-N 3.5Å; D750-D753 PolarHBondContact O-N 2.88Å; D753-S755 PolarHBondContact O-N 2.88Å; D753-L756 WeakPolarHBondContact O-CB 3.21Å; D753-L756 PolarHBondContact O-N 2.9Å; D753-D757 PolarHBondContact O-N 3.5Å
754	S	85.9	Confident	84	Confident	39 Å²	39	50.9 Å²	50.9	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-40.5	175.9	-178.5	0	0	0	0	112.5	N162 D750 L756 D757 I758	N162-S754 WeakPolarHBondContact ND2-CB 3.3Å; N162-S754 PolarHBondContact ND2-OG 3.49Å; D750-S754 WeakPolarHBondContact O-CB 3.28Å; D750-S754 PolarHBondContact O-N 3.4Å; S754-L756 VanDerWaalsContact C-N 3.34Å; S754-L756 PolarHBondContact O-N 2.96Å; S754-D757 PolarHBondContact O-N 3.12Å; S754-I758 WeakPolarHBondContact O-CB 3.29Å; S754-I758 VanDerWaalsContact O-CG1 3.28Å; S754-I758 WeakPolarHBondContact O-CG1 3.17Å; S754-I758 PolarHBondContact O-N 3.19Å
755	S	85.8	Confident	83.2	Confident	7 Å²	7	51.2 Å²	51.2	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-40.9	177	-172.4	0	0	0	0	111.7	L55 Q102 C751 L752 D753 Q759	L55-S755 WeakPolarHBondContact CD1-OG 3.39Å; Q102-S755 WeakPolarHBondContact CG-OG 3.28Å; Q102-S755 PolarHBondContact NE2-O 3.31Å; Q102-S755 PolarHBondContact NE2-OG 2.8Å; C751-S755 WeakPolarHBondContact O-CB 3.34Å; C751-S755 PolarHBondContact O-N 2.68Å; L752-S755 PolarHBondContact O-N 2.91Å; D753-S755 PolarHBondContact O-N 2.88Å; S755-Q759 WeakPolarHBondContact O-CB 3.42Å; S755-Q759 PolarHBondContact O-N 3.07Å
756	L	85.8	Confident	82.5	Confident	28 Å²	28	50.6 Å²	50.6	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-39.2	174.6	-72.9	166.3	0	0	0	112.5	L55 K56 L752 D753 S754 Q759 N760	L55-L756 HydrophobicContact CB-CD2 4.09Å; L55-L756 HydrophobicContact CD1-CD2 4.21Å; L55-L756 HydrophobicContact CD1-CG 4.44Å; K56-L756 HydrophobicContact CG-CD1 4.29Å; K56-L756 HydrophobicContact CG-CD2 4.09Å; L752-L756 HydrophobicContact CG-CD1 4.41Å; L752-L756 WeakPolarHBondContact O-CG 3.49Å; L752-L756 PolarHBondContact O-N 2.9Å; D753-L756 WeakPolarHBondContact O-CB 3.21Å; D753-L756 PolarHBondContact O-N 2.9Å; S754-L756 VanDerWaalsContact C-N 3.34Å; S754-L756 PolarHBondContact O-N 2.96Å; L756-Q759 VanDerWaalsContact O-CB 3.24Å; L756-Q759 WeakPolarHBondContact O-CB 3.35Å; L756-Q759 PolarHBondContact O-N 3.3Å; L756-N760 PolarHBondContact O-ND2 3.3Å
757	D	83.7	Confident	81.2	Confident	77 Å²	77	53.7 Å²	53.7	41%	0.412	29%	0.285	S	S	.	.	H	α-helix	trans	-68.8	-48.2	178.2	-73	-19.6	0	0	0	111.8	D753 S754 Q759 N760	D753-D757 PolarHBondContact O-N 3.5Å; S754-D757 PolarHBondContact O-N 3.12Å; D757-Q759 PolarHBondContact O-N 3.28Å; D757-N760 WeakPolarHBondContact O-CB 3.29Å; D757-N760 PolarHBondContact O-N 3.18Å
758	I	84.2	Confident	79.5	Confident	11 Å²	11	57.6 Å²	57.6	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-35.3	174.8	-68.5	166.2	0	0	0	110.2	L155 L159 S754 N760 Q761 L762	L155-I758 HydrophobicContact CD2-CG2 4.31Å; L159-I758 HydrophobicContact CD1-CG2 3.88Å; L159-I758 HydrophobicContact CD2-CB 4.41Å; L159-I758 HydrophobicContact CD2-CD1 4.04Å; L159-I758 HydrophobicContact CD2-CG2 3.97Å; L159-I758 HydrophobicContact CG-CD1 4.1Å; L159-I758 HydrophobicContact CG-CG2 3.84Å; S754-I758 WeakPolarHBondContact O-CB 3.29Å; S754-I758 VanDerWaalsContact O-CG1 3.28Å; S754-I758 WeakPolarHBondContact O-CG1 3.17Å; S754-I758 PolarHBondContact O-N 3.19Å; I758-N760 PolarHBondContact O-N 3.41Å; I758-N760 VanDerWaalsContact O-N 3.15Å; I758-Q761 CarbonylContact O-C 3.46Å; I758-Q761 WeakPolarHBondContact O-CA 3.33Å; I758-Q761 WeakPolarHBondContact O-CB 3.4Å; I758-Q761 PolarHBondContact O-N 3.1Å; I758-L762 HydrophobicContact CG2-CD2 4.26Å; I758-L762 PolarHBondContact O-N 2.97Å
759	Q	82.8	Confident	77.6	Confident	15 Å²	15	63 Å²	63	7%	0.07	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-27.3	178.3	-141.9	-174.4	11.7	0	0	114.6	K52 P53 S755 L756 D757 Q761 L762	K52-Q759 HydrophobicContact CD-CG 4.37Å; K52-Q759 HydrophobicContact CG-CG 4.07Å; P53-Q759 VanDerWaalsContact CG-NE2 3.31Å; P53-Q759 PolarHBondContact O-NE2 3.32Å; P53-Q759 PolarHBondContact O-OE1 3.04Å; S755-Q759 WeakPolarHBondContact O-CB 3.42Å; S755-Q759 PolarHBondContact O-N 3.07Å; L756-Q759 VanDerWaalsContact O-CB 3.24Å; L756-Q759 WeakPolarHBondContact O-CB 3.35Å; L756-Q759 PolarHBondContact O-N 3.3Å; D757-Q759 PolarHBondContact O-N 3.28Å; Q759-Q761 VanDerWaalsContact C-N 3.3Å; Q759-L762 HydrophobicContact CB-CD1 4.48Å; Q759-L762 HydrophobicContact CG-CD1 3.75Å
760	N	81	Confident	77.2	Confident	97 Å²	97	60.1 Å²	60.1	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-80.1	-18.5	176.4	-60.3	-36.5	0	0	0	111.6	K52 L756 D757 I758 H763	K52-N760 PolarHBondContact NZ-OD1 3.07Å; L756-N760 PolarHBondContact O-ND2 3.3Å; D757-N760 WeakPolarHBondContact O-CB 3.29Å; D757-N760 PolarHBondContact O-N 3.18Å; I758-N760 PolarHBondContact O-N 3.41Å; I758-N760 VanDerWaalsContact O-N 3.15Å; N760-H763 PolarHBondContact O-CE1 3.05Å; N760-H763 PolarHBondContact O-ND1 3.11Å
761	Q	82.1	Confident	76.8	Confident	82 Å²	82	60.3 Å²	60.3	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-98.3	-8.8	179.6	-63.4	172.8	-4.3	0	0	113.4	L155 I758 Q759 H763 E764	L155-Q761 HydrophobicContact CD1-CB 4.19Å; L155-Q761 HydrophobicContact CD2-CB 4.29Å; I758-Q761 CarbonylContact O-C 3.46Å; I758-Q761 WeakPolarHBondContact O-CA 3.33Å; I758-Q761 WeakPolarHBondContact O-CB 3.4Å; I758-Q761 PolarHBondContact O-N 3.1Å; Q759-Q761 VanDerWaalsContact C-N 3.3Å; Q761-H763 PolarHBondContact O-N 2.91Å; Q761-E764 VanDerWaalsContact O-CB 3.27Å; Q761-E764 WeakPolarHBondContact O-CB 3.29Å; Q761-E764 WeakPolarHBondContact O-CG 3.45Å; Q761-E764 PolarHBondContact O-N 3.32Å
762	L	79.9	Confident	76.2	Confident	10 Å²	10	63.1 Å²	63.1	5%	0.052	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-55.4	-21.9	-177.7	-72.1	174.8	0	0	0	114.9	A98 N99 L159 I758 Q759 E764 L765	A98-L762 HydrophobicContact CB-CD2 3.44Å; A98-L762 VanDerWaalsContact CB-CD2 3.44Å; N99-L762 WeakPolarHBondContact OD1-CD1 3.44Å; L159-L762 HydrophobicContact CD1-CD2 4.32Å; I758-L762 HydrophobicContact CG2-CD2 4.26Å; I758-L762 PolarHBondContact O-N 2.97Å; Q759-L762 HydrophobicContact CB-CD1 4.48Å; Q759-L762 HydrophobicContact CG-CD1 3.75Å; L762-E764 PolarHBondContact O-N 3.26Å; L762-L765 HydrophobicContact CD2-CD1 3.56Å; L762-L765 WeakPolarHBondContact O-CB 3.45Å; L762-L765 PolarHBondContact O-N 2.92Å; L762-L765 VanDerWaalsContact O-N 3.09Å
763	H	76.1	Confident	75.7	Confident	123 Å²	123	63.5 Å²	63.5	57%	0.569	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-60.8	-28.4	173.7	68.9	-82.1	0	0	0	112.2	N760 Q761 L765 S766	N760-H763 PolarHBondContact O-CE1 3.05Å; N760-H763 PolarHBondContact O-ND1 3.11Å; Q761-H763 PolarHBondContact O-N 2.91Å; H763-L765 PolarHBondContact O-N 2.93Å; H763-S766 WeakPolarHBondContact O-CB 3.42Å; H763-S766 PolarHBondContact O-N 3.29Å; H763-S766 VanDerWaalsContact O-N 3.09Å; H763-S766 PolarHBondContact O-OG 3.17Å
764	E	75.7	Confident	75.1	Confident	83 Å²	83	63.1 Å²	63.1	39%	0.388	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-62.8	-29.8	175	-62.3	176	-169.7	0	0	111.9	L155 Q761 L762 S766 S767	L155-E764 HydrophobicContact CD1-CB 4.11Å; Q761-E764 VanDerWaalsContact O-CB 3.27Å; Q761-E764 WeakPolarHBondContact O-CB 3.29Å; Q761-E764 WeakPolarHBondContact O-CG 3.45Å; Q761-E764 PolarHBondContact O-N 3.32Å; L762-E764 PolarHBondContact O-N 3.26Å; E764-S766 PolarHBondContact O-N 3.36Å; E764-S767 PolarHBondContact O-N 3.49Å; E764-S767 VanDerWaalsContact O-N 3.08Å; E764-S767 PolarHBondContact O-OG 2.99Å
765	L	73	Confident	74.4	Confident	6 Å²	6	64.7 Å²	64.7	3%	0.031	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-68.3	-18.8	176	-66.1	175.4	0	0	0	113.6	R94 I95 A98 P153 L155 L156 L762 H763 S767	R94-L765 HydrophobicContact CB-CB 4.16Å; I95-L765 HydrophobicContact CG1-CB 4.14Å; A98-L765 HydrophobicContact CB-CD1 4.01Å; P153-L765 HydrophobicContact CB-CD2 3.6Å; P153-L765 HydrophobicContact CG-CD2 4.01Å; L155-L765 HydrophobicContact CB-CD2 4.14Å; L155-L765 HydrophobicContact CB-CG 4.49Å; L155-L765 HydrophobicContact CD1-CD2 4.37Å; L155-L765 HydrophobicContact CD1-CG 4.2Å; L156-L765 HydrophobicContact CD2-CD1 4.12Å; L156-L765 HydrophobicContact CG-CD1 4.33Å; L156-L765 HydrophobicContact CG-CD2 4.22Å; L762-L765 HydrophobicContact CD2-CD1 3.56Å; L762-L765 WeakPolarHBondContact O-CB 3.45Å; L762-L765 PolarHBondContact O-N 2.92Å; L762-L765 VanDerWaalsContact O-N 3.09Å; H763-L765 PolarHBondContact O-N 2.93Å; L765-S767 VanDerWaalsContact C-N 3.34Å
766	S	70.2	Confident	73.6	Confident	88 Å²	88	68.8 Å²	68.8	62%	0.615	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-78.6	-20.7	173.5	70.9	0	0	0	0	113.1	H763 E764	H763-S766 WeakPolarHBondContact O-CB 3.42Å; H763-S766 PolarHBondContact O-N 3.29Å; H763-S766 VanDerWaalsContact O-N 3.09Å; H763-S766 PolarHBondContact O-OG 3.17Å; E764-S766 PolarHBondContact O-N 3.36Å
767	S	57	Low	72.6	Confident	87 Å²	87	71.9 Å²	71.9	61%	0.608	40%	0.403	S	S	*	.	S	Bend	trans	-93.2	-6.5	-170.8	63.6	0	0	0	0	114.3	E764 L765	E764-S767 PolarHBondContact O-N 3.49Å; E764-S767 VanDerWaalsContact O-N 3.08Å; E764-S767 PolarHBondContact O-OG 2.99Å; L765-S767 VanDerWaalsContact C-N 3.34Å
768	I	52.4	Low	71.7	Confident	91 Å²	91	71.5 Å²	71.5	47%	0.467	40%	0.403	S	S	.	.			trans	-113.2	120.5	-176.5	-52.8	173.6	0	0	0	107.5	R94	R94-I768 PolarHBondContact NH1-O 3.31Å
769	P	46.3	Very low	70.6	Confident	165 Å²	165	77 Å²	77	100%	1.071	43%	0.434	S	S	*	.			trans	-61.9	0	176	-5.2	13.5	0	0	0	112.9	R94	R94-P769 VanDerWaalsContact CZ-O 3.24Å; R94-P769 PolarHBondContact NH1-O 3.04Å; R94-P769 PolarHBondContact NH2-O 3.05Å; R94-P769 PolarHBondContact NH2-OXT 2.77Å; R94-P769 VanDerWaalsContact NH2-OXT 3.14Å

Retrieved 769 of 769 residues in 572 ms (Link to these results)

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