A0A3Q0KRJ2_SCHMA Loading...

TPR_REGION domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 501 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	37.5	Very low	38.3	Very low	239 Å²	239	110.8 Å²	110.8	100%	1.177	59%	0.592	S	S	*	*				0	108.5	0	-73.2	164.7	96.2	0	0	106	S3	M1-S3 PolarHBondContact O-N 2.78Å
2	V	33.2	Very low	40.7	Very low	141 Å²	141	104.1 Å²	104.1	86%	0.855	56%	0.555	S	S	*	*			trans	-59.9	109	170.2	177.1	0	0	0	0	104.8	K4	V2-K4 VanDerWaalsContact C-N 3.3Å; V2-K4 PolarHBondContact O-N 2.84Å
3	S	30.6	Very low	43.2	Very low	92 Å²	92	96.5 Å²	96.5	64%	0.643	51%	0.514	S	S	*	.			trans	-55.7	107.8	165.9	50.3	0	0	0	0	104.3	M1 E5	M1-S3 PolarHBondContact O-N 2.78Å; S3-E5 PolarHBondContact O-N 3.01Å
4	K	32	Very low	45.5	Very low	191 Å²	191	97.8 Å²	97.8	83%	0.83	51%	0.508	S	S	*	.			trans	-56.6	95.5	159.5	-80.2	-178.7	173.5	-178.3	0	103.5	V2 M6	V2-K4 VanDerWaalsContact C-N 3.3Å; V2-K4 PolarHBondContact O-N 2.84Å; K4-M6 VanDerWaalsContact C-N 3.34Å; K4-M6 PolarHBondContact O-N 3.03Å
5	E	31.3	Very low	47.7	Very low	160 Å²	160	94.2 Å²	94.2	75%	0.748	49%	0.489	S	S	*	.			trans	-47.1	112.2	162.9	-74.4	173.7	162.5	0	0	103.7	S3 A7	S3-E5 PolarHBondContact O-N 3.01Å; E5-A7 PolarHBondContact O-N 2.86Å
6	M	31.8	Very low	49.9	Very low	165 Å²	165	95.1 Å²	95.1	81%	0.813	49%	0.488	S	S	*	.			trans	-66	86.1	174.3	-73.2	-164.4	145.8	0	0	105	K4 T8 N65	K4-M6 VanDerWaalsContact C-N 3.34Å; K4-M6 PolarHBondContact O-N 3.03Å; M6-T8 VanDerWaalsContact C-N 3.31Å; M6-T8 PolarHBondContact O-N 3.28Å; M6-N65 PolarHBondContact O-OD1 3.38Å
7	A	32.1	Very low	51.9	Low	57 Å²	57	95.2 Å²	95.2	47%	0.471	48%	0.484	S	S	.	.			trans	-56.5	105.6	164.6	0	0	0	0	0	104.7	E5 Q9 N65	E5-A7 PolarHBondContact O-N 2.86Å; A7-Q9 HydrophobicContact CB-CG 4.44Å; A7-Q9 PolarHBondContact O-N 3.09Å; A7-N65 WeakPolarHBondContact CA-ND2 3.41Å
8	T	36.7	Very low	53.9	Low	74 Å²	74	94.4 Å²	94.4	45%	0.454	48%	0.481	S	S	.	.			trans	-67.6	90.5	167.5	29	0	0	0	0	105.1	M6 N65	M6-T8 VanDerWaalsContact C-N 3.31Å; M6-T8 PolarHBondContact O-N 3.28Å; T8-N65 PolarHBondContact N-OD1 3.32Å; T8-N65 PolarHBondContact OG1-OD1 3.26Å
9	Q	46.6	Very low	55.7	Low	77 Å²	77	94.3 Å²	94.3	36%	0.36	48%	0.478	S	S	.	.			trans	-64.6	135.8	-177.7	-74	167.2	-44	0	0	108.5	A7 A11 E128 E131	A7-Q9 HydrophobicContact CB-CG 4.44Å; A7-Q9 PolarHBondContact O-N 3.09Å; Q9-A11 PolarHBondContact O-N 3.32Å; Q9-E128 HydrophobicContact CB-CG 4.36Å; Q9-E128 PolarHBondContact OE1-OE2 2.92Å; Q9-E131 PolarHBondContact NE2-OE1 2.97Å; Q9-E131 VanDerWaalsContact NE2-OE1 3.11Å
10	C	50.1	Low	57.4	Low	20 Å²	20	94.3 Å²	94.3	14%	0.135	48%	0.476	C	S	.	.			trans	-59.8	102.9	-176.8	-175.1	0	0	0	0	111	S62 L63 R129	C10-S62 WeakPolarHBondContact CA-O 3.43Å; C10-S62 WeakPolarHBondContact CB-O 3.45Å; C10-S62 PolarHBondContact N-O 2.66Å; C10-L63 HydrophobicContact CB-CD2 3.79Å; C10-L63 HydrophobicContact CB-CG 4.46Å; C10-L63 WeakPolarHBondContact SG-CD2 2.97Å; C10-R129 HydrophobicContact CB-CG 4.47Å; C10-R129 PolarHBondContact O-N 2.99Å
11	A	59.7	Low	58.8	Low	3 Å²	3	92.7 Å²	92.7	3%	0.025	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.9	178.3	0	0	0	0	0	109.4	Q9 Y13 S126	Q9-A11 PolarHBondContact O-N 3.32Å; A11-Y13 HydrophobicContact CB-CE2 4.06Å; A11-Y13 WeakPolarHBondContact O-CD2 3.2Å; A11-Y13 VanDerWaalsContact O-CE2 3.29Å; A11-Y13 WeakPolarHBondContact O-CE2 3.36Å; A11-S126 WeakPolarHBondContact CB-OG 3.39Å
12	M	67.5	Low	60.8	Low	30 Å²	30	85.5 Å²	85.5	15%	0.148	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.2	163.7	-75.9	-173	-76.8	0	0	109.2	K99 S126 V127 R129	M12-K99 HydrophobicContact CB-CB 4.28Å; M12-K99 HydrophobicContact CB-CD 4.26Å; M12-K99 HydrophobicContact CE-CD 3.94Å; M12-K99 HydrophobicContact SD-CB 4.15Å; M12-K99 HydrophobicContact SD-CD 3.86Å; M12-S126 WeakPolarHBondContact O-CA 3.44Å; M12-V127 PolarHBondContact N-O 2.77Å; M12-V127 PolarHBondContact O-N 3.5Å; M12-R129 HydrophobicContact CE-CG 4.06Å
13	Y	73.1	Confident	62.4	Low	5 Å²	5	80.4 Å²	80.4	2%	0.02	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.7	-175.8	-60.5	-98.4	0	0	0	110.1	A11 R53 Q100 L103 I124 E125	A11-Y13 HydrophobicContact CB-CE2 4.06Å; A11-Y13 WeakPolarHBondContact O-CD2 3.2Å; A11-Y13 VanDerWaalsContact O-CE2 3.29Å; A11-Y13 WeakPolarHBondContact O-CE2 3.36Å; Y13-R53 VanDerWaalsContact CE1-NH1 3.26Å; Y13-R53 PolarHBondContact OH-NE 3.24Å; Y13-R53 PolarHBondContact OH-NH2 2.94Å; Y13-Q100 PolarHBondContact N-O 3.19Å; Y13-Q100 WeakPolarHBondContact O-CA 3.34Å; Y13-Q100 WeakPolarHBondContact O-CB 3.43Å; Y13-Q100 PolarHBondContact O-N 3.39Å; Y13-L103 HydrophobicContact CD1-CD1 4.48Å; Y13-L103 HydrophobicContact CE1-CB 4.05Å; Y13-L103 HydrophobicContact CE1-CD1 4.44Å; Y13-L103 HydrophobicContact CE2-CB 4.36Å; Y13-I124 HydrophobicContact CD1-CG2 3.73Å; Y13-I124 HydrophobicContact CG-CG2 4.31Å; Y13-E125 CarbonylContact C-O 3.38Å; Y13-E125 WeakPolarHBondContact CA-O 3.34Å
14	R	75.6	Confident	63.8	Low	115 Å²	115	84 Å²	84	43%	0.434	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.9	174.2	-176.6	-175	-176.8	-171.9	1	108.8	K16 S98 I124 E125	R14-K16 PolarHBondContact O-N 3.29Å; R14-S98 PolarHBondContact NE-OG 2.95Å; R14-I124 CarbonylContact O-C 3.54Å; R14-I124 WeakPolarHBondContact O-CA 3.42Å; R14-E125 HydrophobicContact CB-CB 4.36Å; R14-E125 PolarHBondContact N-O 2.97Å; R14-E125 PolarHBondContact O-N 2.72Å
15	I	78.5	Confident	64.9	Low	44 Å²	44	78.6 Å²	78.6	23%	0.226	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	113.2	170.8	-58.6	172.6	0	0	0	107.2	L18 V106 K109 V122	I15-L18 HydrophobicContact CG2-CB 4.07Å; I15-V106 HydrophobicContact CD1-CG1 4.03Å; I15-V106 HydrophobicContact CG1-CG1 3.85Å; I15-V106 HydrophobicContact CG1-CG2 4.47Å; I15-K109 HydrophobicContact CD1-CD 4.44Å; I15-V122 HydrophobicContact CG1-CG1 4.36Å; I15-V122 HydrophobicContact CG2-CG1 3.89Å
16	K	81.7	Confident	65.6	Low	109 Å²	109	75.1 Å²	75.1	47%	0.474	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-44.1	175.9	-179.7	179.9	174.2	-177.4	0	110.5	R14 E123 E138	R14-K16 PolarHBondContact O-N 3.29Å; K16-E123 HydrophobicContact CB-CB 4.29Å; K16-E123 WeakPolarHBondContact CB-O 3.38Å; K16-E123 PolarHBondContact N-O 3.06Å; K16-E138 IonicContact NZ-OE1 3.47Å; K16-E138 PolarHBondContact NZ-OE1 3.04Å; K16-E138 IonicContact NZ-OE2 2.81Å; K16-E138 PolarHBondContact NZ-OE2 3.2Å
17	K	84.8	Confident	66.6	Low	96 Å²	96	71 Å²	71	42%	0.417	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.1	179.3	-166.9	179.4	177	-165	0	109.6	E19 V122 E123	K17-E19 WeakPolarHBondContact CE-OE1 3.22Å; K17-E19 IonicContact NZ-OE1 2.84Å; K17-E19 PolarHBondContact NZ-OE1 2.77Å; K17-V122 WeakPolarHBondContact O-CA 3.29Å; K17-E123 HydrophobicContact CB-CB 3.98Å; K17-E123 HydrophobicContact CB-CG 4.09Å; K17-E123 PolarHBondContact N-O 2.96Å; K17-E123 PolarHBondContact O-N 3.34Å
18	L	86.9	Confident	67.5	Low	81 Å²	81	73.8 Å²	73.8	42%	0.424	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	116.4	174.5	174.6	62.7	0	0	0	107.4	I15 I110 F120 V122	I15-L18 HydrophobicContact CG2-CB 4.07Å; L18-I110 HydrophobicContact CD1-CG1 4.31Å; L18-I110 HydrophobicContact CD1-CG2 4.46Å; L18-F120 HydrophobicContact CD1-CB 4.35Å; L18-F120 HydrophobicContact CD1-CD1 4.02Å; L18-V122 HydrophobicContact CD1-CB 4.41Å; L18-V122 HydrophobicContact CD1-CG1 4.44Å; L18-V122 HydrophobicContact CD1-CG2 3.43Å; L18-V122 VanDerWaalsContact CD1-CG2 3.43Å
19	E	88.8	Confident	68.7	Low	92 Å²	92	72.5 Å²	72.5	43%	0.43	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.1	168.3	-63	179.1	165.1	0	0	108	K17 F120 N121	K17-E19 WeakPolarHBondContact CE-OE1 3.22Å; K17-E19 IonicContact NZ-OE1 2.84Å; K17-E19 PolarHBondContact NZ-OE1 2.77Å; E19-F120 CarbonylContact O-C 3.58Å; E19-F120 WeakPolarHBondContact O-CA 3.48Å; E19-N121 HydrophobicContact CB-CB 4.3Å; E19-N121 PolarHBondContact N-O 3.04Å; E19-N121 PolarHBondContact O-N 3.38Å
20	H	89.8	Confident	70	Confident	94 Å²	94	75.3 Å²	75.3	44%	0.435	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.9	179.3	171.3	-147.6	0	0	0	108.1	T22 D118 F120	H20-T22 VanDerWaalsContact CE1-CG2 3.41Å; H20-T22 WeakPolarHBondContact CE1-CG2 3.34Å; H20-D118 IonicContact CE1-OD2 3.77Å; H20-D118 VanDerWaalsContact NE2-CG 3.27Å; H20-D118 IonicContact NE2-OD1 2.95Å; H20-D118 IonicContact NE2-OD2 2.61Å; H20-D118 PolarHBondContact NE2-OD2 2.92Å; H20-F120 HydrophobicContact CB-CD1 3.86Å; H20-F120 HydrophobicContact CB-CE1 3.84Å; H20-F120 AromaticContact CD2-CD1 3.71Å; H20-F120 AromaticContact CD2-CE1 3.2Å; H20-F120 WeakPolarHBondContact CD2-CE1 3.3Å; H20-F120 AromaticContact CD2-CZ 3.57Å; H20-F120 AromaticContact CG-CD1 3.96Å; H20-F120 AromaticContact CG-CE1 3.48Å; H20-F120 VanDerWaalsContact CG-CE1 3.48Å; H20-F120 AromaticContact NE2-CE1 3.71Å; H20-F120 AromaticContact NE2-CZ 3.67Å
21	S	87	Confident	71.7	Confident	62 Å²	62	80.3 Å²	80.3	43%	0.434	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.8	169.9	51.2	0	0	0	0	108.5	V119	S21-V119 PolarHBondContact N-O 3.45Å; S21-V119 PolarHBondContact O-N 2.81Å; S21-V119 WeakPolarHBondContact OG-CB 3.42Å; S21-V119 PolarHBondContact OG-O 2.89Å
22	T	79.5	Confident	73.1	Confident	88 Å²	88	80.2 Å²	80.2	54%	0.54	44%	0.436	S	S	.	.			trans	-74.5	147.6	174.9	49.6	0	0	0	0	110.3	H20	H20-T22 VanDerWaalsContact CE1-CG2 3.41Å; H20-T22 WeakPolarHBondContact CE1-CG2 3.34Å
23	S	67.4	Low	74.2	Confident	33 Å²	33	81.3 Å²	81.3	23%	0.231	45%	0.445	C	S	.	.			trans	-72.1	140.1	167.5	78.4	0	0	0	0	110.3	T25 A116	S23-T25 PolarHBondContact O-N 3.48Å; S23-T25 PolarHBondContact OG-OG1 2.61Å; S23-A116 PolarHBondContact OG-O 3.41Å
24	D	59.1	Low	75	Confident	167 Å²	167	83.6 Å²	83.6	89%	0.893	46%	0.458	S	S	*	.			trans	-69.1	8.2	172.5	-79.7	-23.8	0	0	0	112.8	G26	D24-G26 VanDerWaalsContact C-N 3.31Å; D24-G26 PolarHBondContact O-N 2.9Å
25	T	54.5	Low	75.6	Confident	79 Å²	79	78.2 Å²	78.2	49%	0.485	44%	0.438	S	S	.	.			trans	-73.6	90.2	178.5	67.3	0	0	0	0	108.6	S23 T27	S23-T25 PolarHBondContact O-N 3.48Å; S23-T25 PolarHBondContact OG-OG1 2.61Å; T25-T27 PolarHBondContact O-N 3.16Å
26	G	47	Very low	76.2	Confident	86 Å²	86	76.1 Å²	76.1	89%	0.887	43%	0.427	S	S	*	.			trans	-63	20.1	174.9	0	0	0	0	0	115.1	D24	D24-G26 VanDerWaalsContact C-N 3.31Å; D24-G26 PolarHBondContact O-N 2.9Å
27	T	52.1	Low	76.7	Confident	80 Å²	80	71.1 Å²	71.1	49%	0.491	41%	0.406	S	S	.	.	S	Bend	trans	-70.1	141.2	169.8	-1.1	0	0	0	0	108.7	T25 C29	T25-T27 PolarHBondContact O-N 3.16Å; T27-C29 PolarHBondContact O-N 2.9Å
28	S	51	Low	77.1	Confident	114 Å²	114	66.6 Å²	66.6	80%	0.797	39%	0.386	S	S	*	.			trans	-60.3	66.1	176.9	58.8	0	0	0	0	112.5	Y30	S28-Y30 PolarHBondContact O-N 3.35Å
29	C	63	Low	77.3	Confident	47 Å²	47	62.8 Å²	62.8	32%	0.318	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-78.9	118	-176.4	-77.1	0	0	0	0	109.1	T27 K31 T115	T27-C29 PolarHBondContact O-N 2.9Å; C29-K31 PolarHBondContact O-N 2.95Å; C29-T115 HydrophobicContact CB-CG2 3.77Å
30	Y	73.9	Confident	77.5	Confident	136 Å²	136	58.4 Å²	58.4	53%	0.533	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-57.9	129.9	168.8	-63.9	-75.9	0	0	0	109.3	S28 V150 I153	S28-Y30 PolarHBondContact O-N 3.35Å; Y30-V150 VanDerWaalsContact CB-CG2 3.47Å; Y30-I153 HydrophobicContact CD1-CD1 3.62Å; Y30-I153 HydrophobicContact CE1-CD1 3.27Å
31	K	85.7	Confident	77.7	Confident	126 Å²	126	54.5 Å²	54.5	55%	0.548	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-77.2	142.2	177.7	-66.7	-173.5	177	-175.8	0	109.9	C29 T33 C114 T115 V150	C29-K31 PolarHBondContact O-N 2.95Å; K31-T33 PolarHBondContact O-N 2.89Å; K31-C114 CarbonylContact C-O 3.59Å; K31-C114 WeakPolarHBondContact CA-O 3.5Å; K31-T115 HydrophobicContact CG-CG2 3.86Å; K31-V150 WeakPolarHBondContact O-CG2 3.23Å
32	A	88.8	Confident	77.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-63.4	125	176.8	0	0	0	0	0	111.3	L83 L111 N113 C114 V148	A32-L83 HydrophobicContact CB-CD1 3.87Å; A32-L111 WeakPolarHBondContact CB-O 3.46Å; A32-N113 WeakPolarHBondContact O-CA 3.37Å; A32-N113 PolarHBondContact O-N 2.89Å; A32-C114 PolarHBondContact N-O 3Å; A32-V148 HydrophobicContact CB-CG1 3.63Å; A32-V148 HydrophobicContact CB-CG2 4.37Å
33	T	89.2	Confident	78.4	Confident	54 Å²	54	50.8 Å²	50.8	33%	0.331	30%	0.299	S	S	.	.			trans	-119.6	178.4	174.6	61.3	0	0	0	0	110.8	K31 G35 S36	K31-T33 PolarHBondContact O-N 2.89Å; T33-G35 PolarHBondContact O-N 2.88Å; T33-S36 PolarHBondContact N-OG 2.86Å; T33-S36 WeakPolarHBondContact O-CB 3.2Å; T33-S36 PolarHBondContact O-N 3.47Å; T33-S36 PolarHBondContact O-OG 2.79Å; T33-S36 PolarHBondContact OG1-OG 2.82Å
34	D	90.1	Very high	79.3	Confident	53 Å²	53	51.8 Å²	51.8	28%	0.283	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	131.8	170.1	176.9	69.2	0	0	0	111	S36 G84 R189 R238	D34-S36 VanDerWaalsContact C-N 3.32Å; D34-G84 WeakPolarHBondContact OD1-CA 3.47Å; D34-R189 IonicContact OD1-CZ 2.76Å; D34-R189 IonicContact OD1-NH1 3.96Å; D34-R189 IonicContact OD1-NH2 3.83Å; D34-R189 PolarHBondContact OD1-NH2 3.35Å; D34-R189 IonicContact OD2-CZ 3.32Å; D34-R189 IonicContact OD2-NH1 3.36Å; D34-R189 PolarHBondContact OD2-NH1 3.29Å; D34-R189 IonicContact OD2-NH2 3.48Å; D34-R189 PolarHBondContact OD2-NH2 2.84Å; D34-R238 IonicContact OD1-NH2 2.71Å; D34-R238 IonicContact OD2-CZ 2.78Å; D34-R238 IonicContact OD2-NH2 3.33Å; D34-R238 PolarHBondContact OD2-NH2 2.82Å
35	G	89.6	Confident	80.4	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-3.9	-173.8	0	0	0	0	0	115.7	T33 L83 Q185 R189	T33-G35 PolarHBondContact O-N 2.88Å; G35-L83 PolarHBondContact N-O 2.87Å; G35-Q185 PolarHBondContact O-NE2 3.11Å; G35-R189 VanDerWaalsContact CA-NH1 3.3Å
36	S	91.3	Very high	81.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.26	C	S	.	.			trans	-71.8	135.4	173.6	-58.2	0	0	0	0	111.3	T33 D34 I82 L83 L149 P151	T33-S36 PolarHBondContact N-OG 2.86Å; T33-S36 WeakPolarHBondContact O-CB 3.2Å; T33-S36 PolarHBondContact O-N 3.47Å; T33-S36 PolarHBondContact O-OG 2.79Å; T33-S36 PolarHBondContact OG1-OG 2.82Å; D34-S36 VanDerWaalsContact C-N 3.32Å; S36-I82 WeakPolarHBondContact O-CA 3.39Å; S36-L83 PolarHBondContact O-N 2.97Å; S36-L149 CarbonylContact C-O 3.58Å; S36-L149 VanDerWaalsContact CA-O 3.29Å; S36-L149 WeakPolarHBondContact CA-O 3.42Å; S36-P151 VanDerWaalsContact OG-CD 3.24Å; S36-P151 WeakPolarHBondContact OG-CD 3.44Å
37	L	91.8	Very high	82	Confident	4 Å²	4	43 Å²	43	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.3	171.8	174.3	67.2	0	0	0	108.7	F39 R80 I82 L149 V281 V282	L37-F39 HydrophobicContact CD2-CE2 3.56Å; L37-F39 HydrophobicContact CD2-CZ 3.63Å; L37-F39 HydrophobicContact CG-CD2 4.35Å; L37-F39 HydrophobicContact CG-CE2 3.64Å; L37-F39 HydrophobicContact CG-CZ 4.07Å; L37-R80 HydrophobicContact CD1-CB 4.13Å; L37-R80 HydrophobicContact CD1-CG 4.5Å; L37-I82 HydrophobicContact CB-CG1 4.28Å; L37-I82 HydrophobicContact CD1-CG1 3.68Å; L37-L149 HydrophobicContact CB-CB 4.23Å; L37-L149 HydrophobicContact CD2-CD2 4.42Å; L37-L149 PolarHBondContact N-O 2.96Å; L37-L149 PolarHBondContact O-N 3.32Å; L37-V281 HydrophobicContact CD2-CG1 4.33Å; L37-V282 HydrophobicContact CD2-CG2 4.15Å
38	C	92.8	Very high	82.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.3	-179.5	-57.8	0	0	0	0	109.9	R80 I81 L111	C38-R80 VanDerWaalsContact O-CA 3.28Å; C38-R80 WeakPolarHBondContact O-CA 3.32Å; C38-I81 HydrophobicContact CB-CG2 4.11Å; C38-I81 PolarHBondContact N-O 2.84Å; C38-I81 PolarHBondContact O-N 3.07Å; C38-L111 HydrophobicContact CB-CD1 4.11Å
39	F	91.8	Very high	82.2	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.3	171.6	-66.1	-99.3	0	0	0	108.1	L37 R80 D146 Y147 I288 Y301	L37-F39 HydrophobicContact CD2-CE2 3.56Å; L37-F39 HydrophobicContact CD2-CZ 3.63Å; L37-F39 HydrophobicContact CG-CD2 4.35Å; L37-F39 HydrophobicContact CG-CE2 3.64Å; L37-F39 HydrophobicContact CG-CZ 4.07Å; F39-R80 HydrophobicContact CD1-CB 4.09Å; F39-R80 HydrophobicContact CE1-CB 4.14Å; F39-D146 HydrophobicContact CB-CB 4.45Å; F39-D146 PolarHBondContact O-N 2.92Å; F39-Y147 HydrophobicContact CD2-CD1 4.04Å; F39-Y147 HydrophobicContact CE2-CD1 4.33Å; F39-Y147 PolarHBondContact N-O 3.37Å; F39-Y147 PolarHBondContact O-N 3.13Å; F39-I288 HydrophobicContact CD2-CD1 4.21Å; F39-I288 HydrophobicContact CE2-CD1 3.29Å; F39-I288 HydrophobicContact CZ-CD1 3.48Å; F39-I288 VanDerWaalsContact CZ-CD1 3.48Å; F39-Y301 HydrophobicContact CB-CD1 4.18Å; F39-Y301 HydrophobicContact CB-CE1 3.75Å; F39-Y301 AromaticContact CD1-CD1 3.86Å; F39-Y301 HydrophobicContact CD1-CD1 3.86Å; F39-Y301 AromaticContact CD1-CD2 3.83Å; F39-Y301 HydrophobicContact CD1-CD2 3.83Å; F39-Y301 HydrophobicContact CD1-CE1 4.05Å; F39-Y301 HydrophobicContact CD1-CE2 4Å; F39-Y301 AromaticContact CD1-CG 3.77Å; F39-Y301 HydrophobicContact CD1-CG 3.77Å; F39-Y301 HydrophobicContact CE1-CD2 4.36Å; F39-Y301 HydrophobicContact CE1-CG 4.43Å; F39-Y301 HydrophobicContact CG-CE1 4.42Å
40	C	93.2	Very high	81.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.6	-172.7	-58.5	0	0	0	0	111.4	R78 F79 R144	C40-R78 CarbonylContact O-C 3.5Å; C40-R78 WeakPolarHBondContact O-CA 3.41Å; C40-F79 HydrophobicContact CB-CD1 4.15Å; C40-F79 HydrophobicContact CB-CD2 4.3Å; C40-F79 HydrophobicContact CB-CE1 3.63Å; C40-F79 HydrophobicContact CB-CE2 3.79Å; C40-F79 HydrophobicContact CB-CG 4.47Å; C40-F79 HydrophobicContact CB-CZ 3.42Å; C40-F79 VanDerWaalsContact CB-CZ 3.42Å; C40-F79 PolarHBondContact N-O 2.86Å; C40-F79 PolarHBondContact O-N 2.88Å; C40-R144 CarbonylContact C-O 3.53Å; C40-R144 VanDerWaalsContact CA-O 3.23Å; C40-R144 WeakPolarHBondContact CA-O 3.47Å
41	T	92.6	Very high	81	Confident	12 Å²	12	50.6 Å²	50.6	7%	0.074	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.3	168.4	-66.7	0	0	0	0	109	I43 R78 R144 D146	T41-I43 PolarHBondContact O-N 2.86Å; T41-R78 HydrophobicContact CG2-CG 4.39Å; T41-R144 PolarHBondContact N-O 3.16Å; T41-R144 PolarHBondContact O-N 3.21Å; T41-R144 PolarHBondContact OG1-NH2 3.02Å; T41-D146 PolarHBondContact N-OD2 3.35Å; T41-D146 VanDerWaalsContact OG1-CG 3.28Å; T41-D146 PolarHBondContact OG1-OD1 3.12Å; T41-D146 PolarHBondContact OG1-OD2 3.07Å
42	V	91.4	Very high	79.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	107.3	167.4	-175.1	0	0	0	0	107.6	F45 L73 K74 N76 S77 F79 L141 L143	V42-F45 HydrophobicContact CG1-CB 3.88Å; V42-L73 HydrophobicContact CG2-CD1 3.5Å; V42-L73 VanDerWaalsContact CG2-CD1 3.5Å; V42-L73 HydrophobicContact CG2-CG 4.26Å; V42-K74 WeakPolarHBondContact CB-O 3.49Å; V42-K74 WeakPolarHBondContact CG1-O 3.43Å; V42-N76 WeakPolarHBondContact O-CA 3.33Å; V42-N76 PolarHBondContact O-N 2.78Å; V42-S77 PolarHBondContact N-O 3.47Å; V42-F79 HydrophobicContact CG2-CD1 3.97Å; V42-F79 HydrophobicContact CG2-CE1 3.78Å; V42-L141 HydrophobicContact CG1-CD1 3.89Å; V42-L143 HydrophobicContact CB-CD2 4.44Å; V42-L143 HydrophobicContact CG2-CD2 3.82Å
43	I	89.3	Confident	78.9	Confident	71 Å²	71	46.6 Å²	46.6	36%	0.364	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-52	177.2	-62.4	165.7	0	0	0	109	T41 V119 S142 R144	T41-I43 PolarHBondContact O-N 2.86Å; I43-V119 HydrophobicContact CD1-CG1 3.84Å; I43-V119 HydrophobicContact CD1-CG2 4.39Å; I43-S142 PolarHBondContact N-O 2.86Å; I43-R144 HydrophobicContact CD1-CB 3.91Å; I43-R144 HydrophobicContact CG1-CB 4.16Å
44	D	86.5	Confident	77.9	Confident	55 Å²	55	47.9 Å²	47.9	29%	0.294	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.9	-179.6	-171.6	33.7	0	0	0	110.1	N46 S75 S142	D44-N46 PolarHBondContact OD2-ND2 3.39Å; D44-S75 PolarHBondContact OD1-OG 2.87Å; D44-S142 PolarHBondContact N-O 3.3Å; D44-S142 PolarHBondContact O-N 3.25Å
45	F	82.5	Confident	76.7	Confident	9 Å²	9	45.9 Å²	45.9	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	94.9	173.2	-174.8	-115.7	0	0	0	108.2	V42 H47 R53 L73 S75 Y139 K140 L141	V42-F45 HydrophobicContact CG1-CB 3.88Å; F45-H47 HydrophobicContact CD1-CB 4.25Å; F45-H47 HydrophobicContact CE1-CB 4.08Å; F45-H47 PolarHBondContact O-N 2.81Å; F45-R53 HydrophobicContact CE1-CB 3.68Å; F45-R53 HydrophobicContact CZ-CB 4.09Å; F45-L73 HydrophobicContact CD2-CD2 4.17Å; F45-L73 HydrophobicContact CE2-CD2 4.12Å; F45-L73 HydrophobicContact CG-CD2 4.4Å; F45-L73 HydrophobicContact CZ-CD2 4.31Å; F45-S75 PolarHBondContact N-OG 3.39Å; F45-S75 PolarHBondContact O-OG 2.92Å; F45-Y139 HydrophobicContact CZ-CD1 4.23Å; F45-K140 WeakPolarHBondContact CA-O 3.44Å; F45-L141 HydrophobicContact CB-CD1 4.36Å; F45-L141 HydrophobicContact CD2-CB 3.92Å; F45-L141 HydrophobicContact CD2-CD1 3.64Å; F45-L141 HydrophobicContact CD2-CG 4.29Å; F45-L141 HydrophobicContact CE2-CB 4.26Å; F45-L141 HydrophobicContact CE2-CD1 4.38Å; F45-L141 HydrophobicContact CG-CD1 4.36Å
46	N	74.6	Confident	75.6	Confident	86 Å²	86	47.1 Å²	47.1	46%	0.46	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	101.1	178.5	-79	-59.3	0	0	0	109.4	D44 K140	D44-N46 PolarHBondContact OD2-ND2 3.39Å; N46-K140 HydrophobicContact CB-CB 4.24Å; N46-K140 PolarHBondContact N-O 2.95Å
47	H	61.1	Low	74.5	Confident	53 Å²	53	47.8 Å²	47.8	25%	0.245	25%	0.253	C	S	.	.			trans	-118.8	144.1	165.9	-162.8	-79.8	0	0	0	108.2	F45 H49 Y139	F45-H47 HydrophobicContact CD1-CB 4.25Å; F45-H47 HydrophobicContact CE1-CB 4.08Å; F45-H47 PolarHBondContact O-N 2.81Å; H47-H49 PolarHBondContact ND1-N 3.25Å; H47-H49 VanDerWaalsContact ND1-N 3.19Å; H47-H49 PolarHBondContact O-N 2.85Å; H47-Y139 AromaticContact CD2-CD1 3.79Å; H47-Y139 AromaticContact CD2-CE1 3.3Å; H47-Y139 WeakPolarHBondContact CD2-CE1 3.49Å; H47-Y139 AromaticContact NE2-CE1 3.57Å
48	V	54.5	Low	73.4	Confident	144 Å²	144	47.6 Å²	47.6	87%	0.873	25%	0.252	S	S	*	.	S	Bend	trans	-58.3	-12	176.2	-179.9	0	0	0	0	112.7
49	H	51.7	Low	72.1	Confident	116 Å²	116	47.8 Å²	47.8	54%	0.537	25%	0.253	S	S	.	.	S	Bend	trans	-123.1	129.2	178.7	-71.6	-75.4	0	0	0	110.7	H47 S51 G52	H47-H49 PolarHBondContact ND1-N 3.25Å; H47-H49 VanDerWaalsContact ND1-N 3.19Å; H47-H49 PolarHBondContact O-N 2.85Å; H49-S51 WeakPolarHBondContact CB-OG 3.37Å; H49-S51 PolarHBondContact O-N 2.62Å; H49-S51 VanDerWaalsContact O-N 3.07Å; H49-G52 PolarHBondContact O-N 3.29Å
50	E	55	Low	70.9	Confident	201 Å²	201	47.7 Å²	47.7	94%	0.939	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.2	172.4	-65	-179.4	168.2	0	0	113.1	G52	E50-G52 PolarHBondContact O-N 2.78Å; E50-G52 VanDerWaalsContact O-N 3.12Å
51	S	57.5	Low	69.5	Low	74 Å²	74	48.5 Å²	48.5	52%	0.517	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.1	179.9	60.3	0	0	0	0	114.2	H49 V72 K74	H49-S51 WeakPolarHBondContact CB-OG 3.37Å; H49-S51 PolarHBondContact O-N 2.62Å; H49-S51 VanDerWaalsContact O-N 3.07Å; S51-V72 VanDerWaalsContact O-CG1 3.27Å; S51-V72 WeakPolarHBondContact O-CG1 3.46Å; S51-K74 VanDerWaalsContact C-CE 3.43Å; S51-K74 WeakPolarHBondContact O-CE 3.41Å
52	G	62.4	Low	67.8	Low	10 Å²	10	48.3 Å²	48.3	10%	0.103	26%	0.256	C	S	.	.			trans	72	-172.3	-173.5	0	0	0	0	0	112.8	H49 E50 L73	H49-G52 PolarHBondContact O-N 3.29Å; E50-G52 PolarHBondContact O-N 2.78Å; E50-G52 VanDerWaalsContact O-N 3.12Å; G52-L73 CarbonylContact C-O 3.6Å; G52-L73 WeakPolarHBondContact CA-O 3.26Å
53	R	68.7	Low	66.2	Low	33 Å²	33	50.2 Å²	50.2	13%	0.125	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.3	178	-172.7	176.7	-171	161.9	6.3	111	Y13 F45 L55 L73 Y139	Y13-R53 VanDerWaalsContact CE1-NH1 3.26Å; Y13-R53 PolarHBondContact OH-NE 3.24Å; Y13-R53 PolarHBondContact OH-NH2 2.94Å; F45-R53 HydrophobicContact CE1-CB 3.68Å; F45-R53 HydrophobicContact CZ-CB 4.09Å; R53-L55 PolarHBondContact O-N 3.07Å; R53-L73 PolarHBondContact N-O 2.83Å; R53-L73 PolarHBondContact O-N 2.93Å; R53-Y139 PolarHBondContact NH1-OH 3.17Å
54	D	66.8	Low	64.7	Low	80 Å²	80	48.9 Å²	48.9	43%	0.428	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123.2	174.1	-65.3	-13.7	0	0	0	109.9	P70 V72	D54-P70 HydrophobicContact CB-CB 3.6Å; D54-P70 VanDerWaalsContact CG-CB 3.44Å; D54-V72 WeakPolarHBondContact OD1-CG2 3.23Å
55	L	66.5	Low	63.3	Low	12 Å²	12	48.6 Å²	48.6	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.4	169.7	-67.4	159.6	0	0	0	109.4	R53 C57 I71 L73 L103 W304	R53-L55 PolarHBondContact O-N 3.07Å; L55-C57 PolarHBondContact O-N 3.3Å; L55-C57 VanDerWaalsContact O-N 3.1Å; L55-I71 WeakPolarHBondContact CA-O 3.34Å; L55-I71 HydrophobicContact CB-CB 4.17Å; L55-I71 WeakPolarHBondContact CB-O 3.38Å; L55-I71 HydrophobicContact CD1-CB 4.22Å; L55-I71 HydrophobicContact CD1-CG2 3.82Å; L55-I71 WeakPolarHBondContact CD1-O 3.16Å; L55-I71 WeakPolarHBondContact CG-O 3.24Å; L55-I71 PolarHBondContact N-O 2.8Å; L55-L73 HydrophobicContact CD1-CB 4.17Å; L55-L73 HydrophobicContact CD1-CD1 4.37Å; L55-L73 HydrophobicContact CG-CB 4.18Å; L55-L103 HydrophobicContact CD2-CB 3.97Å; L55-L103 HydrophobicContact CD2-CD2 3.53Å; L55-L103 HydrophobicContact CD2-CG 3.75Å; L55-W304 HydrophobicContact CD1-CD2 3.85Å; L55-W304 HydrophobicContact CD1-CE3 4.25Å; L55-W304 HydrophobicContact CD1-CH2 3.81Å; L55-W304 HydrophobicContact CD1-CZ2 3.36Å; L55-W304 HydrophobicContact CD1-CZ3 4.22Å; L55-W304 HydrophobicContact CD2-CH2 3.96Å; L55-W304 HydrophobicContact CD2-CZ2 4.35Å; L55-W304 HydrophobicContact CD2-CZ3 4.16Å
56	E	66.1	Low	62.2	Low	28 Å²	28	49 Å²	49	13%	0.131	26%	0.258	C	S	.	.			trans	-71.9	100.6	174.8	-62.9	168.8	-174.6	0	0	109.3	C58 S62 S102	E56-C58 PolarHBondContact O-N 2.8Å; E56-S62 VanDerWaalsContact CD-CB 3.46Å; E56-S62 WeakPolarHBondContact OE1-CB 3.08Å; E56-S62 PolarHBondContact OE1-OG 3.06Å; E56-S102 VanDerWaalsContact OE2-CB 3.29Å; E56-S102 WeakPolarHBondContact OE2-CB 3.45Å
57	C	66.8	Low	61.5	Low	13 Å²	13	52.9 Å²	52.9	9%	0.088	27%	0.273	C	S	.	.	S	Bend	trans	-66.3	-25.6	173.6	-41.6	0	0	0	0	111.6	L55 H61 E69 R196	L55-C57 PolarHBondContact O-N 3.3Å; L55-C57 VanDerWaalsContact O-N 3.1Å; C57-H61 PolarHBondContact N-ND1 2.95Å; C57-E69 PolarHBondContact SG-O 3.46Å; C57-R196 PolarHBondContact O-NH2 2.84Å
58	C	69.8	Low	61.6	Low	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-140.1	154.5	171.8	87.6	0	0	0	0	110.6	E56 L60 H61 W199 L200 H204	E56-C58 PolarHBondContact O-N 2.8Å; C58-L60 PolarHBondContact O-N 3.03Å; C58-L60 VanDerWaalsContact O-N 3.14Å; C58-L60 PolarHBondContact SG-N 3.44Å; C58-H61 PolarHBondContact N-CE1 2.86Å; C58-H61 PolarHBondContact N-ND1 3.47Å; C58-H61 PolarHBondContact O-N 2.66Å; C58-H61 PolarHBondContact SG-CD2 3.27Å; C58-H61 VanDerWaalsContact SG-CE1 3.56Å; C58-H61 PolarHBondContact SG-NE2 2.75Å; C58-W199 HydrophobicContact CB-CH2 3.83Å; C58-W199 HydrophobicContact CB-CZ3 3.66Å; C58-L200 HydrophobicContact CB-CD2 3.87Å; C58-H204 VanDerWaalsContact SG-CE1 3.51Å; C58-H204 PolarHBondContact SG-NE2 2.82Å
59	P	64.5	Low	62	Low	5 Å²	5	51.1 Å²	51.1	3%	0.032	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.2	-177.3	30.8	-39.2	0	0	0	113.3	D88 T89 Y227	P59-D88 WeakPolarHBondContact CD-OD2 3.43Å; P59-D88 HydrophobicContact CG-CB 4.14Å; P59-D88 WeakPolarHBondContact CG-O 3.43Å; P59-T89 HydrophobicContact CB-CG2 4.42Å; P59-T89 HydrophobicContact CG-CG2 4.5Å; P59-Y227 HydrophobicContact CB-CE1 3.67Å; P59-Y227 VanDerWaalsContact CB-OH 3.29Å; P59-Y227 WeakPolarHBondContact CB-OH 3.29Å; P59-Y227 HydrophobicContact CG-CE1 3.72Å
60	L	66.5	Low	62.6	Low	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-23	177.8	-70.9	167.6	0	0	0	114.1	C58 S62 L63 F64 I66 H204 L224 Y227 I228	C58-L60 PolarHBondContact O-N 3.03Å; C58-L60 VanDerWaalsContact O-N 3.14Å; C58-L60 PolarHBondContact SG-N 3.44Å; L60-S62 VanDerWaalsContact C-N 3.35Å; L60-S62 PolarHBondContact O-N 3.12Å; L60-L63 PolarHBondContact O-N 3.29Å; L60-F64 HydrophobicContact CD2-CD2 3.53Å; L60-F64 HydrophobicContact CD2-CE2 3.64Å; L60-F64 PolarHBondContact O-N 2.79Å; L60-I66 HydrophobicContact CB-CD1 4.5Å; L60-H204 HydrophobicContact CD1-CB 3.81Å; L60-H204 WeakPolarHBondContact CD1-CD2 3.26Å; L60-L224 HydrophobicContact CD1-CD1 4.27Å; L60-L224 HydrophobicContact CD2-CD1 3.35Å; L60-L224 HydrophobicContact CG-CD1 4.36Å; L60-Y227 HydrophobicContact CD1-CD1 4.32Å; L60-Y227 HydrophobicContact CD2-CD1 3.04Å; L60-Y227 HydrophobicContact CD2-CE1 3.74Å; L60-Y227 HydrophobicContact CD2-CG 3.56Å; L60-Y227 HydrophobicContact CG-CD1 3.52Å; L60-Y227 HydrophobicContact CG-CE1 3.88Å; L60-Y227 HydrophobicContact CG-CG 4.48Å; L60-I228 HydrophobicContact CD1-CG1 3.59Å
61	H	64.9	Low	63.3	Low	16 Å²	16	40.4 Å²	40.4	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-56.5	-50.1	176	-66.2	154.5	0	0	0	111.7	C57 C58 L63 N65 I66 C68	C57-H61 PolarHBondContact N-ND1 2.95Å; C58-H61 PolarHBondContact N-CE1 2.86Å; C58-H61 PolarHBondContact N-ND1 3.47Å; C58-H61 PolarHBondContact O-N 2.66Å; C58-H61 PolarHBondContact SG-CD2 3.27Å; C58-H61 VanDerWaalsContact SG-CE1 3.56Å; C58-H61 PolarHBondContact SG-NE2 2.75Å; H61-L63 VanDerWaalsContact C-N 3.27Å; H61-L63 PolarHBondContact O-N 2.86Å; H61-N65 WeakPolarHBondContact O-CA 3.43Å; H61-N65 PolarHBondContact O-N 2.83Å; H61-N65 VanDerWaalsContact O-N 3.09Å; H61-I66 PolarHBondContact CD2-O 2.78Å; H61-C68 WeakPolarHBondContact CE1-CB 3.32Å; H61-C68 WeakPolarHBondContact NE2-CB 3.42Å; H61-C68 PolarHBondContact NE2-N 3.32Å; H61-C68 PolarHBondContact NE2-SG 2.87Å
62	S	57.3	Low	63.9	Low	8 Å²	8	38.9 Å²	38.9	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-28.5	-177.5	-155.1	0	0	0	0	113.4	C10 E56 L60	C10-S62 WeakPolarHBondContact CA-O 3.43Å; C10-S62 WeakPolarHBondContact CB-O 3.45Å; C10-S62 PolarHBondContact N-O 2.66Å; E56-S62 VanDerWaalsContact CD-CB 3.46Å; E56-S62 WeakPolarHBondContact OE1-CB 3.08Å; E56-S62 PolarHBondContact OE1-OG 3.06Å; L60-S62 VanDerWaalsContact C-N 3.35Å; L60-S62 PolarHBondContact O-N 3.12Å
63	L	58	Low	64.6	Low	40 Å²	40	38.5 Å²	38.5	21%	0.209	20%	0.198	C	C	.	.	H	α-helix	trans	-99.4	-30.6	-169.9	-74.7	166	0	0	0	113.7	C10 L60 H61 Y227	C10-L63 HydrophobicContact CB-CD2 3.79Å; C10-L63 HydrophobicContact CB-CG 4.46Å; C10-L63 WeakPolarHBondContact SG-CD2 2.97Å; L60-L63 PolarHBondContact O-N 3.29Å; H61-L63 VanDerWaalsContact C-N 3.27Å; H61-L63 PolarHBondContact O-N 2.86Å; L63-Y227 HydrophobicContact CD1-CD2 3.69Å; L63-Y227 HydrophobicContact CD1-CE1 4.07Å; L63-Y227 HydrophobicContact CD1-CE2 2.93Å; L63-Y227 HydrophobicContact CD1-CG 4.48Å; L63-Y227 VanDerWaalsContact CD1-OH 3.3Å; L63-Y227 WeakPolarHBondContact CD1-OH 3.47Å; L63-Y227 HydrophobicContact CG-CE2 4.43Å
64	F	58.1	Low	65.2	Low	43 Å²	43	41.3 Å²	41.3	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-127.6	6.6	-171.4	-61.3	-80.3	0	0	0	113.3	L60 I66 N220 E223 L224 Y227	L60-F64 HydrophobicContact CD2-CD2 3.53Å; L60-F64 HydrophobicContact CD2-CE2 3.64Å; L60-F64 PolarHBondContact O-N 2.79Å; F64-I66 HydrophobicContact CB-CD1 3.93Å; F64-I66 HydrophobicContact CB-CG1 3.89Å; F64-I66 PolarHBondContact O-N 3.04Å; F64-N220 HydrophobicContact CE1-CB 4.4Å; F64-N220 WeakPolarHBondContact CE1-O 3.33Å; F64-E223 HydrophobicContact CZ-CB 4.33Å; F64-E223 HydrophobicContact CZ-CG 4.22Å; F64-L224 HydrophobicContact CD1-CB 4.01Å; F64-L224 HydrophobicContact CD1-CD1 4.4Å; F64-L224 HydrophobicContact CD1-CD2 4.36Å; F64-L224 HydrophobicContact CD1-CG 4.49Å; F64-L224 HydrophobicContact CD2-CB 4.41Å; F64-L224 HydrophobicContact CD2-CD1 3.61Å; F64-L224 HydrophobicContact CD2-CG 4.49Å; F64-L224 HydrophobicContact CE1-CB 3.66Å; F64-L224 HydrophobicContact CE2-CB 4.07Å; F64-L224 HydrophobicContact CE2-CD1 3.82Å; F64-L224 HydrophobicContact CG-CB 4.37Å; F64-L224 HydrophobicContact CG-CD1 3.91Å; F64-L224 HydrophobicContact CG-CD2 4.37Å; F64-L224 HydrophobicContact CG-CG 4.45Å; F64-L224 VanDerWaalsContact CZ-CA 3.44Å; F64-L224 HydrophobicContact CZ-CB 3.68Å; F64-L224 HydrophobicContact CZ-CD1 4.33Å; F64-Y227 HydrophobicContact CE2-CG 4.36Å
65	N	56.5	Low	66.1	Low	50 Å²	50	39.6 Å²	39.6	27%	0.267	21%	0.206	S	C	.	.			trans	53.4	35.5	178.8	-148.1	38.2	0	0	0	112.7	M6 A7 T8 H61	M6-N65 PolarHBondContact O-OD1 3.38Å; A7-N65 WeakPolarHBondContact CA-ND2 3.41Å; T8-N65 PolarHBondContact N-OD1 3.32Å; T8-N65 PolarHBondContact OG1-OD1 3.26Å; H61-N65 WeakPolarHBondContact O-CA 3.43Å; H61-N65 PolarHBondContact O-N 2.83Å; H61-N65 VanDerWaalsContact O-N 3.09Å
66	I	60.1	Low	66.9	Low	16 Å²	16	45.3 Å²	45.3	8%	0.082	24%	0.236	C	C	.	.			trans	-79	130.3	178.1	-60.9	173	0	0	0	107.6	L60 H61 F64 C68 L224	L60-I66 HydrophobicContact CB-CD1 4.5Å; H61-I66 PolarHBondContact CD2-O 2.78Å; F64-I66 HydrophobicContact CB-CD1 3.93Å; F64-I66 HydrophobicContact CB-CG1 3.89Å; F64-I66 PolarHBondContact O-N 3.04Å; I66-C68 PolarHBondContact O-N 3.45Å; I66-L224 HydrophobicContact CD1-CD1 4.14Å; I66-L224 HydrophobicContact CD1-CD2 4.27Å
67	H	58.9	Low	68	Low	169 Å²	169	44.9 Å²	44.9	78%	0.782	24%	0.236	S	C	*	.			trans	-74.2	114.1	175.6	-61.7	-54.9	0	0	0	110.7
68	C	62.9	Low	69.2	Low	31 Å²	31	49.3 Å²	49.3	21%	0.209	25%	0.251	C	S	.	.			trans	-119.8	169.3	144.5	-53.1	0	0	0	0	109.1	H61 I66 P70 H203	H61-C68 WeakPolarHBondContact CE1-CB 3.32Å; H61-C68 WeakPolarHBondContact NE2-CB 3.42Å; H61-C68 PolarHBondContact NE2-N 3.32Å; H61-C68 PolarHBondContact NE2-SG 2.87Å; I66-C68 PolarHBondContact O-N 3.45Å; C68-P70 WeakPolarHBondContact O-CD 3.36Å; C68-P70 VanDerWaalsContact O-N 3.09Å; C68-H203 PolarHBondContact SG-NE2 2.82Å
69	E	63.8	Low	70.3	Confident	129 Å²	129	49.3 Å²	49.3	60%	0.603	25%	0.251	S	S	*	.			trans	-55.9	114.4	177.2	-65.7	-169.4	157.5	0	0	110.2	C57	C57-E69 PolarHBondContact SG-O 3.46Å
70	P	64.4	Low	71.5	Confident	67 Å²	67	49.6 Å²	49.6	44%	0.435	25%	0.252	S	S	.	.			trans	-74.7	140.5	179.1	29.2	-32	0	0	0	110.4	D54 C68	D54-P70 HydrophobicContact CB-CB 3.6Å; D54-P70 VanDerWaalsContact CG-CB 3.44Å; C68-P70 WeakPolarHBondContact O-CD 3.36Å; C68-P70 VanDerWaalsContact O-N 3.09Å
71	I	68.8	Low	72.7	Confident	24 Å²	24	49.6 Å²	49.6	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.8	168.5	-61.8	173.9	0	0	0	107.3	L55 I302 D303	L55-I71 WeakPolarHBondContact CA-O 3.34Å; L55-I71 HydrophobicContact CB-CB 4.17Å; L55-I71 WeakPolarHBondContact CB-O 3.38Å; L55-I71 HydrophobicContact CD1-CB 4.22Å; L55-I71 HydrophobicContact CD1-CG2 3.82Å; L55-I71 WeakPolarHBondContact CD1-O 3.16Å; L55-I71 WeakPolarHBondContact CG-O 3.24Å; L55-I71 PolarHBondContact N-O 2.8Å; I71-I302 HydrophobicContact CG2-CG2 3.57Å; I71-D303 WeakPolarHBondContact CD1-O 3.3Å
72	V	70.7	Confident	74	Confident	42 Å²	42	49 Å²	49	26%	0.255	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.7	-173.7	-161.9	0	0	0	0	111.5	S51 D54 K74	S51-V72 VanDerWaalsContact O-CG1 3.27Å; S51-V72 WeakPolarHBondContact O-CG1 3.46Å; D54-V72 WeakPolarHBondContact OD1-CG2 3.23Å; V72-K74 HydrophobicContact CG1-CD 4.32Å; V72-K74 HydrophobicContact CG1-CG 4.02Å
73	L	75.9	Confident	75.7	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.1	169.7	-163.8	67.7	0	0	0	110.3	V42 F45 G52 R53 L55 F79 L103 L141 W304	V42-L73 HydrophobicContact CG2-CD1 3.5Å; V42-L73 VanDerWaalsContact CG2-CD1 3.5Å; V42-L73 HydrophobicContact CG2-CG 4.26Å; F45-L73 HydrophobicContact CD2-CD2 4.17Å; F45-L73 HydrophobicContact CE2-CD2 4.12Å; F45-L73 HydrophobicContact CG-CD2 4.4Å; F45-L73 HydrophobicContact CZ-CD2 4.31Å; G52-L73 CarbonylContact C-O 3.6Å; G52-L73 WeakPolarHBondContact CA-O 3.26Å; R53-L73 PolarHBondContact N-O 2.83Å; R53-L73 PolarHBondContact O-N 2.93Å; L55-L73 HydrophobicContact CD1-CB 4.17Å; L55-L73 HydrophobicContact CD1-CD1 4.37Å; L55-L73 HydrophobicContact CG-CB 4.18Å; L73-F79 HydrophobicContact CD1-CD1 4.46Å; L73-L103 HydrophobicContact CD2-CD2 3.91Å; L73-L141 HydrophobicContact CD2-CD1 4.08Å; L73-L141 HydrophobicContact CD2-CD2 4.47Å; L73-W304 HydrophobicContact CD1-CH2 4.24Å; L73-W304 HydrophobicContact CD1-CZ2 3.6Å
74	K	81.2	Confident	77.2	Confident	93 Å²	93	47.6 Å²	47.6	40%	0.404	25%	0.245	S	C	.	.			trans	-135.1	155	-179.5	-71.4	174.4	176.5	175.7	0	109.9	V42 S51 V72 S77	V42-K74 WeakPolarHBondContact CB-O 3.49Å; V42-K74 WeakPolarHBondContact CG1-O 3.43Å; S51-K74 VanDerWaalsContact C-CE 3.43Å; S51-K74 WeakPolarHBondContact O-CE 3.41Å; V72-K74 HydrophobicContact CG1-CD 4.32Å; V72-K74 HydrophobicContact CG1-CG 4.02Å; K74-S77 WeakPolarHBondContact O-CB 3.36Å; K74-S77 PolarHBondContact O-N 2.89Å; K74-S77 VanDerWaalsContact O-N 3.15Å; K74-S77 PolarHBondContact O-OG 3.44Å
75	S	85.5	Confident	78.7	Confident	44 Å²	44	45.6 Å²	45.6	31%	0.308	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	143.1	167.2	-56.2	0	0	0	0	110.2	D44 F45 S77	D44-S75 PolarHBondContact OD1-OG 2.87Å; F45-S75 PolarHBondContact N-OG 3.39Å; F45-S75 PolarHBondContact O-OG 2.92Å; S75-S77 PolarHBondContact O-N 3.16Å
76	N	85.4	Confident	80.2	Confident	131 Å²	131	43.2 Å²	43.2	70%	0.701	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	10.2	-175.6	-53.8	-54.4	0	0	0	115.7	V42	V42-N76 WeakPolarHBondContact O-CA 3.33Å; V42-N76 PolarHBondContact O-N 2.78Å
77	S	89.2	Confident	81.6	Confident	19 Å²	19	42.7 Å²	42.7	13%	0.133	22%	0.221	C	C	.	.			trans	-79	150.4	171.7	78.7	0	0	0	0	111.3	V42 K74 S75	V42-S77 PolarHBondContact N-O 3.47Å; K74-S77 WeakPolarHBondContact O-CB 3.36Å; K74-S77 PolarHBondContact O-N 2.89Å; K74-S77 VanDerWaalsContact O-N 3.15Å; K74-S77 PolarHBondContact O-OG 3.44Å; S75-S77 PolarHBondContact O-N 3.16Å
78	R	91.5	Very high	82.8	Confident	107 Å²	107	34.9 Å²	34.9	40%	0.404	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.8	175.5	-68.1	-172.7	-179.6	177	1.5	109.3	C40 T41 D300 Y301 I302	C40-R78 CarbonylContact O-C 3.5Å; C40-R78 WeakPolarHBondContact O-CA 3.41Å; T41-R78 HydrophobicContact CG2-CG 4.39Å; R78-D300 WeakPolarHBondContact CB-O 3.33Å; R78-Y301 HydrophobicContact CB-CD1 3.64Å; R78-Y301 HydrophobicContact CB-CE1 3.75Å; R78-Y301 HydrophobicContact CB-CG 4.13Å; R78-Y301 HydrophobicContact CG-CE1 4.22Å; R78-I302 WeakPolarHBondContact O-CB 3.36Å; R78-I302 WeakPolarHBondContact O-CG1 3.28Å; R78-I302 PolarHBondContact O-N 2.88Å
79	F	91.8	Very high	83.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.5	177.9	69.7	-89.3	0	0	0	113.6	C40 V42 L73 I81 V107 L143 Y301 I302 W304	C40-F79 HydrophobicContact CB-CD1 4.15Å; C40-F79 HydrophobicContact CB-CD2 4.3Å; C40-F79 HydrophobicContact CB-CE1 3.63Å; C40-F79 HydrophobicContact CB-CE2 3.79Å; C40-F79 HydrophobicContact CB-CG 4.47Å; C40-F79 HydrophobicContact CB-CZ 3.42Å; C40-F79 VanDerWaalsContact CB-CZ 3.42Å; C40-F79 PolarHBondContact N-O 2.86Å; C40-F79 PolarHBondContact O-N 2.88Å; V42-F79 HydrophobicContact CG2-CD1 3.97Å; V42-F79 HydrophobicContact CG2-CE1 3.78Å; L73-F79 HydrophobicContact CD1-CD1 4.46Å; F79-I81 HydrophobicContact CD2-CB 4.44Å; F79-I81 HydrophobicContact CD2-CG2 4.34Å; F79-I81 HydrophobicContact CE2-CG2 4.01Å; F79-V107 HydrophobicContact CE2-CG1 4.05Å; F79-V107 HydrophobicContact CZ-CG1 4Å; F79-L143 HydrophobicContact CE1-CD2 3.51Å; F79-L143 HydrophobicContact CZ-CD2 3.8Å; F79-Y301 WeakPolarHBondContact O-CD1 3.15Å; F79-I302 CarbonylContact C-O 3.51Å; F79-I302 WeakPolarHBondContact CA-O 3.36Å; F79-I302 HydrophobicContact CB-CB 4.41Å; F79-I302 VanDerWaalsContact CB-O 3.29Å; F79-I302 WeakPolarHBondContact CB-O 3.36Å; F79-W304 HydrophobicContact CB-CG 4.38Å; F79-W304 HydrophobicContact CB-CZ2 4.31Å; F79-W304 AromaticContact CD1-CZ2 3.67Å; F79-W304 HydrophobicContact CD1-CZ2 3.67Å; F79-W304 AromaticContact CD2-CD2 3.79Å; F79-W304 HydrophobicContact CD2-CD2 3.79Å; F79-W304 AromaticContact CD2-CE2 3.39Å; F79-W304 HydrophobicContact CD2-CE3 4.4Å; F79-W304 HydrophobicContact CD2-CG 4.1Å; F79-W304 HydrophobicContact CD2-CH2 4.26Å; F79-W304 AromaticContact CD2-CZ2 3.6Å; F79-W304 HydrophobicContact CD2-CZ2 3.6Å; F79-W304 AromaticContact CD2-NE1 3.65Å; F79-W304 HydrophobicContact CE1-CH2 4.29Å; F79-W304 AromaticContact CE1-CZ2 3.75Å; F79-W304 HydrophobicContact CE1-CZ2 3.75Å; F79-W304 HydrophobicContact CE2-CD2 4.23Å; F79-W304 AromaticContact CE2-CE2 3.92Å; F79-W304 HydrophobicContact CE2-CE3 4.41Å; F79-W304 AromaticContact CE2-CH2 3.93Å; F79-W304 HydrophobicContact CE2-CH2 3.93Å; F79-W304 AromaticContact CE2-CZ2 3.69Å; F79-W304 HydrophobicContact CE2-CZ2 3.69Å; F79-W304 HydrophobicContact CE2-CZ3 4.29Å; F79-W304 HydrophobicContact CG-CD2 4.27Å; F79-W304 AromaticContact CG-CE2 3.45Å; F79-W304 VanDerWaalsContact CG-CE2 3.45Å; F79-W304 AromaticContact CG-CZ2 3.58Å; F79-W304 HydrophobicContact CG-CZ2 3.58Å; F79-W304 AromaticContact CG-NE1 3.36Å; F79-W304 AromaticContact CZ-CH2 3.94Å; F79-W304 HydrophobicContact CZ-CH2 3.94Å; F79-W304 AromaticContact CZ-CZ2 3.77Å; F79-W304 HydrophobicContact CZ-CZ2 3.77Å
80	R	91.1	Very high	83.7	Confident	10 Å²	10	29.4 Å²	29.4	4%	0.038	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.2	172.8	70.8	178	-169	156.7	4.7	110.2	L37 C38 F39 V281 V282 S298 I302 D303 W304	L37-R80 HydrophobicContact CD1-CB 4.13Å; L37-R80 HydrophobicContact CD1-CG 4.5Å; C38-R80 VanDerWaalsContact O-CA 3.28Å; C38-R80 WeakPolarHBondContact O-CA 3.32Å; F39-R80 HydrophobicContact CD1-CB 4.09Å; F39-R80 HydrophobicContact CE1-CB 4.14Å; R80-V281 PolarHBondContact NH1-O 3.24Å; R80-V282 PolarHBondContact NH1-O 3.46Å; R80-V282 PolarHBondContact NH2-O 3.46Å; R80-S298 WeakPolarHBondContact CD-OG 3.49Å; R80-S298 PolarHBondContact NE-OG 3.01Å; R80-S298 PolarHBondContact NH1-OG 2.83Å; R80-I302 PolarHBondContact N-O 2.85Å; R80-D303 HydrophobicContact CG-CB 4.18Å; R80-D303 IonicContact CZ-OD2 3.69Å; R80-D303 IonicContact NE-OD1 2.63Å; R80-D303 IonicContact NE-OD2 2.89Å; R80-D303 PolarHBondContact NE-OD2 2.87Å; R80-D303 IonicContact NH2-OD2 2.75Å; R80-D303 PolarHBondContact NH2-OD2 3.22Å; R80-W304 PolarHBondContact O-N 2.86Å
81	I	91.3	Very high	83.4	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.6	-178.8	-172.2	174.9	0	0	0	110.5	C38 F79 R104 E108 L111 W304	C38-I81 HydrophobicContact CB-CG2 4.11Å; C38-I81 PolarHBondContact N-O 2.84Å; C38-I81 PolarHBondContact O-N 3.07Å; F79-I81 HydrophobicContact CD2-CB 4.44Å; F79-I81 HydrophobicContact CD2-CG2 4.34Å; F79-I81 HydrophobicContact CE2-CG2 4.01Å; I81-R104 HydrophobicContact CD1-CG 4.17Å; I81-E108 HydrophobicContact CD1-CG 3.66Å; I81-L111 HydrophobicContact CG2-CD1 3.58Å; I81-W304 HydrophobicContact CB-CB 4.29Å; I81-W304 HydrophobicContact CD1-CE3 3.83Å; I81-W304 HydrophobicContact CD1-CZ3 4.45Å; I81-W304 HydrophobicContact CG1-CB 4.31Å
82	I	92.2	Very high	82.2	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.4	168.8	-55.5	164.6	0	0	0	108.5	S36 L37 G84 N85 R104 V282 D305	S36-I82 WeakPolarHBondContact O-CA 3.39Å; L37-I82 HydrophobicContact CB-CG1 4.28Å; L37-I82 HydrophobicContact CD1-CG1 3.68Å; I82-G84 PolarHBondContact O-N 2.93Å; I82-N85 HydrophobicContact CB-CB 3.98Å; I82-N85 WeakPolarHBondContact CB-ND2 3.42Å; I82-N85 VanDerWaalsContact CD1-ND2 3.26Å; I82-N85 WeakPolarHBondContact CD1-ND2 3.32Å; I82-N85 HydrophobicContact CG2-CB 4.18Å; I82-N85 VanDerWaalsContact CG2-ND2 3.34Å; I82-N85 WeakPolarHBondContact CG2-ND2 3.46Å; I82-N85 WeakPolarHBondContact O-CB 3.47Å; I82-N85 PolarHBondContact O-N 3.15Å; I82-R104 PolarHBondContact O-NH2 2.8Å; I82-V282 HydrophobicContact CD1-CG1 3.58Å; I82-D305 VanDerWaalsContact CB-OD2 3.27Å; I82-D305 WeakPolarHBondContact CB-OD2 3.31Å; I82-D305 WeakPolarHBondContact CG1-OD2 3.47Å; I82-D305 PolarHBondContact N-OD2 3.15Å
83	L	92	Very high	80.9	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	132.3	-179	-58.5	-173.6	0	0	0	110.9	A32 G35 S36 N85 E108 L111 F112 R189	A32-L83 HydrophobicContact CB-CD1 3.87Å; G35-L83 PolarHBondContact N-O 2.87Å; S36-L83 PolarHBondContact O-N 2.97Å; L83-N85 VanDerWaalsContact C-N 3.3Å; L83-N85 PolarHBondContact O-N 3.38Å; L83-E108 HydrophobicContact CD2-CB 4.27Å; L83-E108 HydrophobicContact CD2-CG 4.09Å; L83-L111 HydrophobicContact CD1-CB 4.43Å; L83-L111 HydrophobicContact CD2-CB 3.87Å; L83-L111 HydrophobicContact CD2-CD1 4.33Å; L83-F112 HydrophobicContact CD1-CD2 4.48Å; L83-R189 PolarHBondContact O-NH2 3.04Å; L83-R189 VanDerWaalsContact O-NH2 3.14Å
84	G	89.3	Confident	79	Confident	16 Å²	16	46.5 Å²	46.5	17%	0.165	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	10.9	179.5	0	0	0	0	0	115.4	D34 I82 E108	D34-G84 WeakPolarHBondContact OD1-CA 3.47Å; I82-G84 PolarHBondContact O-N 2.93Å; G84-E108 PolarHBondContact N-OE2 3.23Å
85	N	89.7	Confident	76.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-84.9	-5.5	176.7	-89.7	18.6	0	0	0	114.3	I82 L83 P87 R189 Y192 L193	I82-N85 HydrophobicContact CB-CB 3.98Å; I82-N85 WeakPolarHBondContact CB-ND2 3.42Å; I82-N85 VanDerWaalsContact CD1-ND2 3.26Å; I82-N85 WeakPolarHBondContact CD1-ND2 3.32Å; I82-N85 HydrophobicContact CG2-CB 4.18Å; I82-N85 VanDerWaalsContact CG2-ND2 3.34Å; I82-N85 WeakPolarHBondContact CG2-ND2 3.46Å; I82-N85 WeakPolarHBondContact O-CB 3.47Å; I82-N85 PolarHBondContact O-N 3.15Å; L83-N85 VanDerWaalsContact C-N 3.3Å; L83-N85 PolarHBondContact O-N 3.38Å; N85-P87 VanDerWaalsContact C-CD 3.5Å; N85-R189 PolarHBondContact OD1-NE 2.68Å; N85-R189 PolarHBondContact OD1-NH2 2.78Å; N85-Y192 HydrophobicContact CB-CD1 4.33Å; N85-Y192 HydrophobicContact CB-CE1 3.78Å; N85-Y192 WeakPolarHBondContact O-CE1 3.46Å; N85-L193 VanDerWaalsContact O-CD2 3.26Å; N85-L193 WeakPolarHBondContact O-CD2 3.13Å
86	S	88.8	Confident	74.7	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.			trans	-129.6	65.7	172.8	-175.3	0	0	0	0	111.5	D88 T89 R196	S86-D88 VanDerWaalsContact CA-OD1 3.28Å; S86-D88 WeakPolarHBondContact CA-OD1 3.23Å; S86-D88 PolarHBondContact O-N 2.85Å; S86-D88 VanDerWaalsContact O-N 3.13Å; S86-D88 PolarHBondContact OG-OD1 3.39Å; S86-T89 WeakPolarHBondContact CB-OG1 3.49Å; S86-T89 PolarHBondContact O-N 3.16Å; S86-T89 PolarHBondContact O-OG1 3.29Å; S86-T89 WeakPolarHBondContact OG-CG2 3.22Å; S86-T89 PolarHBondContact OG-OG1 2.85Å; S86-R196 VanDerWaalsContact OG-CZ 3.23Å; S86-R196 PolarHBondContact OG-NE 3.39Å; S86-R196 PolarHBondContact OG-NH2 3.27Å
87	P	88.4	Confident	72.7	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.039	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-24.2	179.2	27.5	-35.7	0	0	0	112.7	N85 T89 T90 Q91 L193 A234 R238	N85-P87 VanDerWaalsContact C-CD 3.5Å; P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 2.72Å; P87-T90 PolarHBondContact O-N 2.99Å; P87-T90 PolarHBondContact O-OG1 3.36Å; P87-Q91 VanDerWaalsContact O-CB 3.25Å; P87-Q91 WeakPolarHBondContact O-CB 3.46Å; P87-Q91 VanDerWaalsContact O-CG 3.3Å; P87-Q91 WeakPolarHBondContact O-CG 3.46Å; P87-Q91 PolarHBondContact O-N 2.99Å; P87-L193 HydrophobicContact CG-CD2 3.95Å; P87-A234 HydrophobicContact CB-CB 4.45Å; P87-R238 HydrophobicContact CG-CB 4.12Å; P87-R238 HydrophobicContact CG-CG 4.46Å
88	D	85.3	Confident	70.8	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-29.4	174.6	61.6	-54.8	0	0	0	113.7	P59 S86 R196 L200	P59-D88 WeakPolarHBondContact CD-OD2 3.43Å; P59-D88 HydrophobicContact CG-CB 4.14Å; P59-D88 WeakPolarHBondContact CG-O 3.43Å; S86-D88 VanDerWaalsContact CA-OD1 3.28Å; S86-D88 WeakPolarHBondContact CA-OD1 3.23Å; S86-D88 PolarHBondContact O-N 2.85Å; S86-D88 VanDerWaalsContact O-N 3.13Å; S86-D88 PolarHBondContact OG-OD1 3.39Å; D88-R196 IonicContact OD1-CZ 2.72Å; D88-R196 IonicContact OD1-NE 3.66Å; D88-R196 PolarHBondContact OD1-NE 3.04Å; D88-R196 IonicContact OD1-NH2 3.71Å; D88-R196 PolarHBondContact OD1-NH2 3.33Å; D88-R196 IonicContact OD2-CZ 2.66Å; D88-R196 IonicContact OD2-NE 3.43Å; D88-R196 PolarHBondContact OD2-NE 3.28Å; D88-R196 IonicContact OD2-NH2 3.56Å; D88-R196 PolarHBondContact OD2-NH2 3.43Å; D88-L200 HydrophobicContact CB-CD1 4.13Å
89	T	78.2	Confident	68.9	Low	3 Å²	3	49.5 Å²	49.5	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-92	-12	178.2	61.9	0	0	0	0	113.2	P59 S86 P87 P101 S102	P59-T89 HydrophobicContact CB-CG2 4.42Å; P59-T89 HydrophobicContact CG-CG2 4.5Å; S86-T89 WeakPolarHBondContact CB-OG1 3.49Å; S86-T89 PolarHBondContact O-N 3.16Å; S86-T89 PolarHBondContact O-OG1 3.29Å; S86-T89 WeakPolarHBondContact OG-CG2 3.22Å; S86-T89 PolarHBondContact OG-OG1 2.85Å; P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 2.72Å; T89-P101 WeakPolarHBondContact O-CG 3.06Å; T89-S102 PolarHBondContact O-OG 3.42Å
90	T	66.1	Low	67.1	Low	42 Å²	42	51 Å²	51	26%	0.258	28%	0.275	S	S	.	.	H	α-helix	trans	-104.3	-30.8	-179.5	69.5	0	0	0	0	112.8	P87 F92 P101	P87-T90 PolarHBondContact O-N 2.99Å; P87-T90 PolarHBondContact O-OG1 3.36Å; T90-F92 PolarHBondContact O-N 3.03Å; T90-P101 WeakPolarHBondContact O-CG 3.49Å
91	Q	57.9	Low	65.8	Low	120 Å²	120	51.7 Å²	51.7	56%	0.561	28%	0.28	S	S	*	.			trans	-91.4	71.7	-177.9	-62.8	-177.3	11	0	0	111.4	P87	P87-Q91 VanDerWaalsContact O-CB 3.25Å; P87-Q91 WeakPolarHBondContact O-CB 3.46Å; P87-Q91 VanDerWaalsContact O-CG 3.3Å; P87-Q91 WeakPolarHBondContact O-CG 3.46Å; P87-Q91 PolarHBondContact O-N 2.99Å
92	F	45.1	Very low	65	Low	51 Å²	51	51.8 Å²	51.8	22%	0.224	28%	0.281	C	S	.	.			trans	-106.9	121.5	161.5	-141.1	-104.6	0	0	0	111.1	T90 P101 Y227	T90-F92 PolarHBondContact O-N 3.03Å; F92-P101 HydrophobicContact CB-CB 3.51Å; F92-P101 HydrophobicContact CB-CG 4.08Å; F92-Y227 AromaticContact CD2-CE2 3.85Å; F92-Y227 HydrophobicContact CD2-CE2 3.85Å; F92-Y227 AromaticContact CD2-CZ 3.9Å; F92-Y227 WeakPolarHBondContact CD2-OH 3.1Å; F92-Y227 HydrophobicContact CE1-CE2 4.49Å; F92-Y227 AromaticContact CE2-CD2 3.8Å; F92-Y227 HydrophobicContact CE2-CD2 3.8Å; F92-Y227 AromaticContact CE2-CE2 2.93Å; F92-Y227 HydrophobicContact CE2-CE2 2.93Å; F92-Y227 AromaticContact CE2-CZ 3.44Å; F92-Y227 VanDerWaalsContact CE2-CZ 3.44Å; F92-Y227 WeakPolarHBondContact CE2-OH 3.42Å; F92-Y227 HydrophobicContact CZ-CD2 4.03Å; F92-Y227 AromaticContact CZ-CE2 3.33Å; F92-Y227 HydrophobicContact CZ-CE2 3.33Å
93	K	42.2	Very low	64.4	Low	145 Å²	145	51.8 Å²	51.8	63%	0.63	28%	0.281	S	S	*	.			trans	26.5	111.9	165.5	-73.3	-176.8	177.4	174.7	0	116.3	Q95	K93-Q95 PolarHBondContact O-N 2.98Å
94	N	37	Very low	64	Low	178 Å²	178	52.2 Å²	52.2	95%	0.952	28%	0.283	S	S	*	.				6.1	20.8	123.7	-70.1	-7.2	0	0	0	121.6
95	Q	36.9	Very low	63.7	Low	117 Å²	117	51.9 Å²	51.9	55%	0.547	28%	0.278	S	S	.	.			trans	-79.2	119.7	156.1	-71.8	-174.4	-6.2	0	0	105.2	K93 T97	K93-Q95 PolarHBondContact O-N 2.98Å; Q95-T97 HydrophobicContact CB-CG2 4.24Å; Q95-T97 WeakPolarHBondContact CB-OG1 3.29Å; Q95-T97 PolarHBondContact O-N 3.29Å
96	S	39	Very low	63.4	Low	135 Å²	135	51.9 Å²	51.9	94%	0.944	28%	0.278	S	S	*	.	S	Bend	trans	-54.6	0.7	169.1	51.8	0	0	0	0	113.9
97	T	43.9	Very low	63.4	Low	60 Å²	60	51.9 Å²	51.9	37%	0.368	28%	0.278	S	S	.	.	S	Bend	trans	-70.1	132.4	171.6	61.7	0	0	0	0	109.3	Q95 K99	Q95-T97 HydrophobicContact CB-CG2 4.24Å; Q95-T97 WeakPolarHBondContact CB-OG1 3.29Å; Q95-T97 PolarHBondContact O-N 3.29Å; T97-K99 PolarHBondContact O-N 3.03Å
98	S	49.2	Very low	63.5	Low	71 Å²	71	52.5 Å²	52.5	50%	0.497	28%	0.28	S	S	.	.			trans	-60.2	16.6	174.3	64.6	0	0	0	0	115.3	R14	R14-S98 PolarHBondContact NE-OG 2.95Å
99	K	52	Low	63.5	Low	74 Å²	74	58.3 Å²	58.3	32%	0.322	31%	0.305	S	S	.	.			trans	-78.6	123.2	-177.3	-67.3	-175.5	179.9	-170.7	0	109.1	M12 T97	M12-K99 HydrophobicContact CB-CB 4.28Å; M12-K99 HydrophobicContact CB-CD 4.26Å; M12-K99 HydrophobicContact CE-CD 3.94Å; M12-K99 HydrophobicContact SD-CB 4.15Å; M12-K99 HydrophobicContact SD-CD 3.86Å; T97-K99 PolarHBondContact O-N 3.03Å
100	Q	53.7	Low	64	Low	30 Å²	30	58.5 Å²	58.5	14%	0.14	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-85.5	137.9	172.3	-58.2	-58.9	-53.5	0	0	108.8	Y13 S105 V106	Y13-Q100 PolarHBondContact N-O 3.19Å; Y13-Q100 WeakPolarHBondContact O-CA 3.34Å; Y13-Q100 WeakPolarHBondContact O-CB 3.43Å; Y13-Q100 PolarHBondContact O-N 3.39Å; Q100-S105 PolarHBondContact OE1-OG 2.91Å; Q100-V106 HydrophobicContact CB-CG2 3.69Å; Q100-V106 HydrophobicContact CG-CG2 3.83Å
101	P	63.9	Low	65.2	Low	25 Å²	25	56.5 Å²	56.5	16%	0.162	29%	0.294	C	S	.	.	S	Bend	trans	-71.4	-30.1	-176.1	26.4	-35.2	0	0	0	113.9	T89 T90 F92	T89-P101 WeakPolarHBondContact O-CG 3.06Å; T90-P101 WeakPolarHBondContact O-CG 3.49Å; F92-P101 HydrophobicContact CB-CB 3.51Å; F92-P101 HydrophobicContact CB-CG 4.08Å
102	S	75.3	Confident	66.7	Low	2 Å²	2	55.6 Å²	55.6	1%	0.014	29%	0.288	C	S	.	.	S	Bend	trans	-144.3	159.1	-172.8	66.5	0	0	0	0	111.2	E56 T89 R104 S105 V106	E56-S102 VanDerWaalsContact OE2-CB 3.29Å; E56-S102 WeakPolarHBondContact OE2-CB 3.45Å; T89-S102 PolarHBondContact O-OG 3.42Å; S102-R104 PolarHBondContact O-N 3.1Å; S102-S105 WeakPolarHBondContact O-CB 3.31Å; S102-S105 PolarHBondContact O-N 3.39Å; S102-S105 VanDerWaalsContact O-N 3.15Å; S102-S105 PolarHBondContact OG-N 3.16Å; S102-V106 PolarHBondContact O-N 3.07Å
103	L	78	Confident	68.6	Low	4 Å²	4	57.4 Å²	57.4	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-33.2	172.2	-175.5	53.8	0	0	0	111.3	Y13 L55 L73 S105 V106 V107 I124	Y13-L103 HydrophobicContact CD1-CD1 4.48Å; Y13-L103 HydrophobicContact CE1-CB 4.05Å; Y13-L103 HydrophobicContact CE1-CD1 4.44Å; Y13-L103 HydrophobicContact CE2-CB 4.36Å; L55-L103 HydrophobicContact CD2-CB 3.97Å; L55-L103 HydrophobicContact CD2-CD2 3.53Å; L55-L103 HydrophobicContact CD2-CG 3.75Å; L73-L103 HydrophobicContact CD2-CD2 3.91Å; L103-S105 PolarHBondContact O-N 3.34Å; L103-V106 WeakPolarHBondContact O-CB 3.24Å; L103-V106 PolarHBondContact O-N 2.86Å; L103-V107 WeakPolarHBondContact O-CG2 3.27Å; L103-V107 PolarHBondContact O-N 2.87Å; L103-I124 HydrophobicContact CD1-CD1 3.72Å
104	R	84.7	Confident	70.9	Confident	12 Å²	12	50.6 Å²	50.6	5%	0.045	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-43.7	172.7	179.7	164	177.9	154.9	1.5	112.1	I81 I82 S102 V106 V107 E108 W304 D305	I81-R104 HydrophobicContact CD1-CG 4.17Å; I82-R104 PolarHBondContact O-NH2 2.8Å; S102-R104 PolarHBondContact O-N 3.1Å; R104-V106 VanDerWaalsContact C-N 3.3Å; R104-V106 PolarHBondContact O-N 3.2Å; R104-V107 PolarHBondContact O-N 3.17Å; R104-V107 VanDerWaalsContact O-N 3.15Å; R104-E108 HydrophobicContact CG-CG 4.29Å; R104-E108 IonicContact CZ-OE1 2.65Å; R104-E108 VanDerWaalsContact CZ-OE1 3.31Å; R104-E108 IonicContact NE-OE1 3.49Å; R104-E108 PolarHBondContact NE-OE1 2.88Å; R104-E108 IonicContact NH2-OE1 3.59Å; R104-E108 PolarHBondContact NH2-OE1 3.37Å; R104-E108 PolarHBondContact O-N 3.4Å; R104-W304 HydrophobicContact CG-CE3 4.49Å; R104-W304 PolarHBondContact NH1-O 3.08Å; R104-D305 IonicContact CZ-OD1 3.2Å; R104-D305 IonicContact NH1-OD1 3.51Å; R104-D305 PolarHBondContact NH1-OD1 3.29Å; R104-D305 IonicContact NH2-OD1 3.89Å; R104-D305 PolarHBondContact NH2-OD1 2.99Å
105	S	82.8	Confident	73.4	Confident	9 Å²	9	43.3 Å²	43.3	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-37.3	176.5	-168.3	0	0	0	0	112.6	Q100 S102 L103 K109	Q100-S105 PolarHBondContact OE1-OG 2.91Å; S102-S105 WeakPolarHBondContact O-CB 3.31Å; S102-S105 PolarHBondContact O-N 3.39Å; S102-S105 VanDerWaalsContact O-N 3.15Å; S102-S105 PolarHBondContact OG-N 3.16Å; L103-S105 PolarHBondContact O-N 3.34Å; S105-K109 VanDerWaalsContact O-CB 3.29Å; S105-K109 WeakPolarHBondContact O-CB 3.37Å; S105-K109 PolarHBondContact O-N 2.82Å; S105-K109 VanDerWaalsContact O-N 3.15Å
106	V	83.5	Confident	75.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-48.4	173.3	173.5	0	0	0	0	110.2	I15 Q100 S102 L103 R104 K109 I110 I124	I15-V106 HydrophobicContact CD1-CG1 4.03Å; I15-V106 HydrophobicContact CG1-CG1 3.85Å; I15-V106 HydrophobicContact CG1-CG2 4.47Å; Q100-V106 HydrophobicContact CB-CG2 3.69Å; Q100-V106 HydrophobicContact CG-CG2 3.83Å; S102-V106 PolarHBondContact O-N 3.07Å; L103-V106 WeakPolarHBondContact O-CB 3.24Å; L103-V106 PolarHBondContact O-N 2.86Å; R104-V106 VanDerWaalsContact C-N 3.3Å; R104-V106 PolarHBondContact O-N 3.2Å; V106-K109 PolarHBondContact O-N 2.89Å; V106-I110 HydrophobicContact CG1-CD1 3.63Å; V106-I110 VanDerWaalsContact O-CD1 3.27Å; V106-I110 WeakPolarHBondContact O-CD1 3.39Å; V106-I110 VanDerWaalsContact O-CG1 3.24Å; V106-I110 WeakPolarHBondContact O-CG1 3.29Å; V106-I110 PolarHBondContact O-N 3.31Å; V106-I124 HydrophobicContact CG1-CD1 3.87Å; V106-I124 HydrophobicContact CG1-CG1 4.25Å
107	V	88.6	Confident	78.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.6	-46.5	-178.2	172.7	0	0	0	0	112.4	F79 L103 R104 K109 I110 L111 L141 L143 W304	F79-V107 HydrophobicContact CE2-CG1 4.05Å; F79-V107 HydrophobicContact CZ-CG1 4Å; L103-V107 WeakPolarHBondContact O-CG2 3.27Å; L103-V107 PolarHBondContact O-N 2.87Å; R104-V107 PolarHBondContact O-N 3.17Å; R104-V107 VanDerWaalsContact O-N 3.15Å; V107-K109 PolarHBondContact O-N 2.63Å; V107-I110 PolarHBondContact O-N 3.48Å; V107-I110 VanDerWaalsContact O-N 3.12Å; V107-L111 HydrophobicContact CG1-CD1 3.63Å; V107-L111 HydrophobicContact CG1-CG 4.12Å; V107-L111 WeakPolarHBondContact O-CB 3.18Å; V107-L111 VanDerWaalsContact O-CG 3.31Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.18Å; V107-L141 HydrophobicContact CG2-CD2 4.27Å; V107-L143 HydrophobicContact CG2-CD1 4.26Å; V107-W304 HydrophobicContact CB-CH2 4.24Å; V107-W304 HydrophobicContact CB-CZ3 3.89Å; V107-W304 HydrophobicContact CG1-CH2 4.07Å; V107-W304 HydrophobicContact CG1-CZ3 3.84Å; V107-W304 HydrophobicContact CG2-CH2 3.88Å; V107-W304 HydrophobicContact CG2-CZ3 3.97Å
108	E	89.7	Confident	80.3	Confident	20 Å²	20	31 Å²	31	9%	0.093	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-36.7	176.1	-72.9	-165	-165.1	0	0	111.7	I81 L83 G84 R104 F112	I81-E108 HydrophobicContact CD1-CG 3.66Å; L83-E108 HydrophobicContact CD2-CB 4.27Å; L83-E108 HydrophobicContact CD2-CG 4.09Å; G84-E108 PolarHBondContact N-OE2 3.23Å; R104-E108 HydrophobicContact CG-CG 4.29Å; R104-E108 IonicContact CZ-OE1 2.65Å; R104-E108 VanDerWaalsContact CZ-OE1 3.31Å; R104-E108 IonicContact NE-OE1 3.49Å; R104-E108 PolarHBondContact NE-OE1 2.88Å; R104-E108 IonicContact NH2-OE1 3.59Å; R104-E108 PolarHBondContact NH2-OE1 3.37Å; R104-E108 PolarHBondContact O-N 3.4Å; E108-F112 PolarHBondContact O-N 3.16Å
109	K	86.4	Confident	82.4	Confident	126 Å²	126	29 Å²	29	55%	0.548	15%	0.153	S	C	.	.	H	α-helix	trans	-67.9	-37.1	176.5	-174.3	175.9	-178.7	179.1	0	113.1	I15 S105 V106 V107	I15-K109 HydrophobicContact CD1-CD 4.44Å; S105-K109 VanDerWaalsContact O-CB 3.29Å; S105-K109 WeakPolarHBondContact O-CB 3.37Å; S105-K109 PolarHBondContact O-N 2.82Å; S105-K109 VanDerWaalsContact O-N 3.15Å; V106-K109 PolarHBondContact O-N 2.89Å; V107-K109 PolarHBondContact O-N 2.63Å
110	I	87.8	Confident	84.3	Confident	7 Å²	7	25.9 Å²	25.9	4%	0.036	14%	0.139	C	C	.	.	H	α-helix	trans	-70.1	-43	176.8	-67.2	154.4	0	0	0	110.5	L18 V106 V107 F112 F120 V122	L18-I110 HydrophobicContact CD1-CG1 4.31Å; L18-I110 HydrophobicContact CD1-CG2 4.46Å; V106-I110 HydrophobicContact CG1-CD1 3.63Å; V106-I110 VanDerWaalsContact O-CD1 3.27Å; V106-I110 WeakPolarHBondContact O-CD1 3.39Å; V106-I110 VanDerWaalsContact O-CG1 3.24Å; V106-I110 WeakPolarHBondContact O-CG1 3.29Å; V106-I110 PolarHBondContact O-N 3.31Å; V107-I110 PolarHBondContact O-N 3.48Å; V107-I110 VanDerWaalsContact O-N 3.12Å; I110-F112 VanDerWaalsContact C-N 3.27Å; I110-F112 PolarHBondContact O-N 2.72Å; I110-F120 HydrophobicContact CG2-CB 3.65Å; I110-F120 HydrophobicContact CG2-CD1 3.52Å; I110-F120 HydrophobicContact CG2-CD2 3.58Å; I110-F120 HydrophobicContact CG2-CE1 3.98Å; I110-F120 HydrophobicContact CG2-CE2 4.04Å; I110-F120 HydrophobicContact CG2-CG 3.28Å; I110-F120 HydrophobicContact CG2-CZ 4.22Å; I110-V122 HydrophobicContact CD1-CB 4.27Å; I110-V122 HydrophobicContact CD1-CG1 4.09Å; I110-V122 HydrophobicContact CD1-CG2 3.56Å; I110-V122 HydrophobicContact CG1-CG2 4.19Å
111	L	90.9	Very high	86.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-74.7	-18.1	-178.2	-65.5	178.6	0	0	0	112.7	A32 C38 I81 L83 V107 N113 C114 V145	A32-L111 WeakPolarHBondContact CB-O 3.46Å; C38-L111 HydrophobicContact CB-CD1 4.11Å; I81-L111 HydrophobicContact CG2-CD1 3.58Å; L83-L111 HydrophobicContact CD1-CB 4.43Å; L83-L111 HydrophobicContact CD2-CB 3.87Å; L83-L111 HydrophobicContact CD2-CD1 4.33Å; V107-L111 HydrophobicContact CG1-CD1 3.63Å; V107-L111 HydrophobicContact CG1-CG 4.12Å; V107-L111 WeakPolarHBondContact O-CB 3.18Å; V107-L111 VanDerWaalsContact O-CG 3.31Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.18Å; L111-N113 PolarHBondContact O-N 3.39Å; L111-C114 WeakPolarHBondContact O-CB 3.15Å; L111-C114 PolarHBondContact O-N 3.4Å; L111-C114 VanDerWaalsContact O-N 3.12Å; L111-C114 PolarHBondContact O-SG 2.81Å; L111-V145 HydrophobicContact CD2-CG2 3.68Å
112	F	89.4	Confident	87.4	Confident	101 Å²	101	26 Å²	26	44%	0.443	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	128.4	174	-159.6	-93.7	0	0	0	110.7	L83 E108 I110 C114	L83-F112 HydrophobicContact CD1-CD2 4.48Å; E108-F112 PolarHBondContact O-N 3.16Å; I110-F112 VanDerWaalsContact C-N 3.27Å; I110-F112 PolarHBondContact O-N 2.72Å; F112-C114 VanDerWaalsContact C-N 3.28Å; F112-C114 PolarHBondContact O-N 3.01Å
113	N	86.6	Confident	87.9	Confident	90 Å²	90	27.8 Å²	27.8	48%	0.481	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	15.6	-173	-64.3	-34.7	0	0	0	116.5	A32 L111	A32-N113 WeakPolarHBondContact O-CA 3.37Å; A32-N113 PolarHBondContact O-N 2.89Å; L111-N113 PolarHBondContact O-N 3.39Å
114	C	89.3	Confident	88.2	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.007	15%	0.147	C	C	.	.			trans	-76.3	160.3	175.3	76.7	0	0	0	0	112.7	K31 A32 L111 F112 D118 F120 V145	K31-C114 CarbonylContact C-O 3.59Å; K31-C114 WeakPolarHBondContact CA-O 3.5Å; A32-C114 PolarHBondContact N-O 3Å; L111-C114 WeakPolarHBondContact O-CB 3.15Å; L111-C114 PolarHBondContact O-N 3.4Å; L111-C114 VanDerWaalsContact O-N 3.12Å; L111-C114 PolarHBondContact O-SG 2.81Å; F112-C114 VanDerWaalsContact C-N 3.28Å; F112-C114 PolarHBondContact O-N 3.01Å; C114-D118 WeakPolarHBondContact CA-OD2 3.36Å; C114-F120 HydrophobicContact CB-CE2 3.72Å; C114-F120 HydrophobicContact CB-CZ 3.71Å; C114-V145 HydrophobicContact CB-CG2 4.11Å
115	T	89.3	Confident	88	Confident	25 Å²	25	28.8 Å²	28.8	15%	0.153	15%	0.153	C	C	.	.			trans	-118	159.6	170	42	0	0	0	0	111.7	C29 K31 G117 D118	C29-T115 HydrophobicContact CB-CG2 3.77Å; K31-T115 HydrophobicContact CG-CG2 3.86Å; T115-G117 PolarHBondContact O-N 3.12Å; T115-D118 PolarHBondContact N-OD2 2.9Å; T115-D118 VanDerWaalsContact O-CB 3.22Å; T115-D118 WeakPolarHBondContact O-CB 3.39Å; T115-D118 PolarHBondContact O-N 2.83Å; T115-D118 VanDerWaalsContact O-N 3.11Å; T115-D118 VanDerWaalsContact OG1-CG 3.3Å; T115-D118 PolarHBondContact OG1-OD1 3.06Å; T115-D118 PolarHBondContact OG1-OD2 3.27Å
116	A	87.6	Confident	87.7	Confident	23 Å²	23	28.5 Å²	28.5	19%	0.19	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	138.2	172.3	0	0	0	0	0	110.7	S23 D118	S23-A116 PolarHBondContact OG-O 3.41Å; A116-D118 VanDerWaalsContact C-N 3.3Å
117	G	87.1	Confident	86.9	Confident	29 Å²	29	30.6 Å²	30.6	30%	0.299	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-10	-174	0	0	0	0	0	114.8	T115 V119 V145	T115-G117 PolarHBondContact O-N 3.12Å; G117-V119 PolarHBondContact O-N 3.34Å; G117-V145 WeakPolarHBondContact CA-O 3.34Å; G117-V145 PolarHBondContact N-O 3.15Å
118	D	91.1	Very high	85.7	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.011	17%	0.174	C	C	.	.			trans	-61.4	138.8	174.8	-74.5	1.7	0	0	0	110.8	H20 C114 T115 A116 F120 R144 V145	H20-D118 IonicContact CE1-OD2 3.77Å; H20-D118 VanDerWaalsContact NE2-CG 3.27Å; H20-D118 IonicContact NE2-OD1 2.95Å; H20-D118 IonicContact NE2-OD2 2.61Å; H20-D118 PolarHBondContact NE2-OD2 2.92Å; C114-D118 WeakPolarHBondContact CA-OD2 3.36Å; T115-D118 PolarHBondContact N-OD2 2.9Å; T115-D118 VanDerWaalsContact O-CB 3.22Å; T115-D118 WeakPolarHBondContact O-CB 3.39Å; T115-D118 PolarHBondContact O-N 2.83Å; T115-D118 VanDerWaalsContact O-N 3.11Å; T115-D118 VanDerWaalsContact OG1-CG 3.3Å; T115-D118 PolarHBondContact OG1-OD1 3.06Å; T115-D118 PolarHBondContact OG1-OD2 3.27Å; A116-D118 VanDerWaalsContact C-N 3.3Å; D118-F120 HydrophobicContact CB-CD2 4.48Å; D118-F120 HydrophobicContact CB-CE2 3.75Å; D118-F120 HydrophobicContact CB-CZ 4.1Å; D118-R144 CarbonylContact O-C 3.6Å; D118-R144 WeakPolarHBondContact O-CA 3.27Å; D118-V145 HydrophobicContact CB-CB 4.43Å; D118-V145 HydrophobicContact CB-CG2 4.19Å; D118-V145 PolarHBondContact O-N 3.15Å
119	V	92.8	Very high	84.2	Confident	29 Å²	29	36.2 Å²	36.2	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.1	172.8	178.2	0	0	0	0	109.1	S21 I43 G117 L143 R144	S21-V119 PolarHBondContact N-O 3.45Å; S21-V119 PolarHBondContact O-N 2.81Å; S21-V119 WeakPolarHBondContact OG-CB 3.42Å; S21-V119 PolarHBondContact OG-O 2.89Å; I43-V119 HydrophobicContact CD1-CG1 3.84Å; I43-V119 HydrophobicContact CD1-CG2 4.39Å; G117-V119 PolarHBondContact O-N 3.34Å; V119-L143 CarbonylContact C-O 3.53Å; V119-L143 VanDerWaalsContact CA-O 3.3Å; V119-L143 WeakPolarHBondContact CA-O 3.4Å; V119-R144 HydrophobicContact CG2-CB 4.06Å; V119-R144 HydrophobicContact CG2-CG 3.86Å
120	F	92.6	Very high	82.5	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.039	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123	179.3	-62.3	-82	0	0	0	109.7	L18 E19 H20 I110 C114 D118 V122 S142 L143 V145	L18-F120 HydrophobicContact CD1-CB 4.35Å; L18-F120 HydrophobicContact CD1-CD1 4.02Å; E19-F120 CarbonylContact O-C 3.58Å; E19-F120 WeakPolarHBondContact O-CA 3.48Å; H20-F120 HydrophobicContact CB-CD1 3.86Å; H20-F120 HydrophobicContact CB-CE1 3.84Å; H20-F120 AromaticContact CD2-CD1 3.71Å; H20-F120 AromaticContact CD2-CE1 3.2Å; H20-F120 WeakPolarHBondContact CD2-CE1 3.3Å; H20-F120 AromaticContact CD2-CZ 3.57Å; H20-F120 AromaticContact CG-CD1 3.96Å; H20-F120 AromaticContact CG-CE1 3.48Å; H20-F120 VanDerWaalsContact CG-CE1 3.48Å; H20-F120 AromaticContact NE2-CE1 3.71Å; H20-F120 AromaticContact NE2-CZ 3.67Å; I110-F120 HydrophobicContact CG2-CB 3.65Å; I110-F120 HydrophobicContact CG2-CD1 3.52Å; I110-F120 HydrophobicContact CG2-CD2 3.58Å; I110-F120 HydrophobicContact CG2-CE1 3.98Å; I110-F120 HydrophobicContact CG2-CE2 4.04Å; I110-F120 HydrophobicContact CG2-CG 3.28Å; I110-F120 HydrophobicContact CG2-CZ 4.22Å; C114-F120 HydrophobicContact CB-CE2 3.72Å; C114-F120 HydrophobicContact CB-CZ 3.71Å; D118-F120 HydrophobicContact CB-CD2 4.48Å; D118-F120 HydrophobicContact CB-CE2 3.75Å; D118-F120 HydrophobicContact CB-CZ 4.1Å; F120-V122 HydrophobicContact CB-CG2 4.17Å; F120-S142 CarbonylContact O-C 3.54Å; F120-S142 WeakPolarHBondContact O-CA 3.43Å; F120-L143 PolarHBondContact N-O 3.42Å; F120-L143 PolarHBondContact O-N 3.49Å; F120-V145 HydrophobicContact CD2-CG2 4.25Å; F120-V145 HydrophobicContact CE2-CG2 3.84Å
121	N	92	Very high	80.7	Confident	56 Å²	56	40 Å²	40	30%	0.299	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116	169.5	-57.2	-45.6	0	0	0	108.4	E19 S142	E19-N121 HydrophobicContact CB-CB 4.3Å; E19-N121 PolarHBondContact N-O 3.04Å; E19-N121 PolarHBondContact O-N 3.38Å; N121-S142 WeakPolarHBondContact OD1-CB 3.42Å; N121-S142 PolarHBondContact OD1-OG 3.24Å; N121-S142 VanDerWaalsContact OD1-OG 3.07Å
122	V	89.1	Confident	78.8	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.5	-170.1	-165.5	0	0	0	0	110	I15 K17 L18 I110 F120 I124 K140 L141	I15-V122 HydrophobicContact CG1-CG1 4.36Å; I15-V122 HydrophobicContact CG2-CG1 3.89Å; K17-V122 WeakPolarHBondContact O-CA 3.29Å; L18-V122 HydrophobicContact CD1-CB 4.41Å; L18-V122 HydrophobicContact CD1-CG1 4.44Å; L18-V122 HydrophobicContact CD1-CG2 3.43Å; L18-V122 VanDerWaalsContact CD1-CG2 3.43Å; I110-V122 HydrophobicContact CD1-CB 4.27Å; I110-V122 HydrophobicContact CD1-CG1 4.09Å; I110-V122 HydrophobicContact CD1-CG2 3.56Å; I110-V122 HydrophobicContact CG1-CG2 4.19Å; F120-V122 HydrophobicContact CB-CG2 4.17Å; V122-I124 HydrophobicContact CB-CG1 4.35Å; V122-I124 HydrophobicContact CG1-CD1 4.39Å; V122-I124 HydrophobicContact CG1-CG1 3.76Å; V122-K140 WeakPolarHBondContact O-CA 3.13Å; V122-L141 PolarHBondContact N-O 3.15Å; V122-L141 PolarHBondContact O-N 3.34Å
123	E	87.1	Confident	76.9	Confident	38 Å²	38	53.6 Å²	53.6	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.4	168.1	-58.4	-171.9	156.6	0	0	108.4	K16 K17 Y139 K140	K16-E123 HydrophobicContact CB-CB 4.29Å; K16-E123 WeakPolarHBondContact CB-O 3.38Å; K16-E123 PolarHBondContact N-O 3.06Å; K17-E123 HydrophobicContact CB-CB 3.98Å; K17-E123 HydrophobicContact CB-CG 4.09Å; K17-E123 PolarHBondContact N-O 2.96Å; K17-E123 PolarHBondContact O-N 3.34Å; E123-Y139 CarbonylContact C-O 3.57Å; E123-Y139 WeakPolarHBondContact CA-O 3.35Å; E123-K140 HydrophobicContact CG-CD 4.43Å; E123-K140 HydrophobicContact CG-CG 4.27Å; E123-K140 WeakPolarHBondContact OE1-CE 3.11Å; E123-K140 IonicContact OE1-NZ 2.78Å; E123-K140 PolarHBondContact OE1-NZ 2.92Å
124	I	83.9	Confident	75.5	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.6	-174.9	-51.5	170.4	0	0	0	108.7	Y13 R14 L103 V106 V122 E138 Y139 L141	Y13-I124 HydrophobicContact CD1-CG2 3.73Å; Y13-I124 HydrophobicContact CG-CG2 4.31Å; R14-I124 CarbonylContact O-C 3.54Å; R14-I124 WeakPolarHBondContact O-CA 3.42Å; L103-I124 HydrophobicContact CD1-CD1 3.72Å; V106-I124 HydrophobicContact CG1-CD1 3.87Å; V106-I124 HydrophobicContact CG1-CG1 4.25Å; V122-I124 HydrophobicContact CB-CG1 4.35Å; V122-I124 HydrophobicContact CG1-CD1 4.39Å; V122-I124 HydrophobicContact CG1-CG1 3.76Å; I124-E138 CarbonylContact O-C 3.48Å; I124-E138 WeakPolarHBondContact O-CA 3.24Å; I124-Y139 PolarHBondContact N-O 3.22Å; I124-Y139 WeakPolarHBondContact O-CD2 3.43Å; I124-Y139 PolarHBondContact O-N 3.01Å; I124-L141 HydrophobicContact CD1-CB 4.12Å; I124-L141 HydrophobicContact CD1-CD2 3.97Å
125	E	81.3	Confident	74.1	Confident	36 Å²	36	61.8 Å²	61.8	17%	0.168	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.3	173.4	-173.3	-169	178.5	0	0	108.8	Y13 R14 V127 P136	Y13-E125 CarbonylContact C-O 3.38Å; Y13-E125 WeakPolarHBondContact CA-O 3.34Å; R14-E125 HydrophobicContact CB-CB 4.36Å; R14-E125 PolarHBondContact N-O 2.97Å; R14-E125 PolarHBondContact O-N 2.72Å; E125-V127 HydrophobicContact CG-CG2 4.36Å; E125-P136 HydrophobicContact CG-CB 3.44Å; E125-P136 VanDerWaalsContact CG-CB 3.44Å; E125-P136 HydrophobicContact CG-CG 3.95Å; E125-P136 VanDerWaalsContact OE1-CB 3.3Å; E125-P136 WeakPolarHBondContact OE1-CB 3.42Å; E125-P136 WeakPolarHBondContact OE1-CG 3.41Å
126	S	75.1	Confident	72.9	Confident	2 Å²	2	63 Å²	63	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.2	174.5	173.1	0	0	0	0	109.7	A11 M12 P136 T137	A11-S126 WeakPolarHBondContact CB-OG 3.39Å; M12-S126 WeakPolarHBondContact O-CA 3.44Å; S126-P136 WeakPolarHBondContact O-CA 3.36Å; S126-T137 WeakPolarHBondContact CB-OG1 3.43Å; S126-T137 PolarHBondContact N-O 3.11Å; S126-T137 PolarHBondContact O-N 3.17Å
127	V	67.7	Low	72.3	Confident	44 Å²	44	64.5 Å²	64.5	27%	0.267	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.6	178.1	-175.1	0	0	0	0	108.4	M12 E125 P136	M12-V127 PolarHBondContact N-O 2.77Å; M12-V127 PolarHBondContact O-N 3.5Å; E125-V127 HydrophobicContact CG-CG2 4.36Å; V127-P136 HydrophobicContact CG2-CB 4.4Å
128	E	64.1	Low	71.9	Confident	48 Å²	48	68 Å²	68	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.3	175.6	-68.5	172.6	-178.7	0	0	110.3	Q9 D130	Q9-E128 HydrophobicContact CB-CG 4.36Å; Q9-E128 PolarHBondContact OE1-OE2 2.92Å; E128-D130 PolarHBondContact O-N 3.31Å
129	R	56.5	Low	71.4	Confident	90 Å²	90	69 Å²	69	34%	0.34	34%	0.337	S	S	.	.	S	Bend	trans	-64.4	-39.2	-175.5	-79.2	-172.8	-176.5	174.1	8.4	114.3	C10 M12	C10-R129 HydrophobicContact CB-CG 4.47Å; C10-R129 PolarHBondContact O-N 2.99Å; M12-R129 HydrophobicContact CE-CG 4.06Å
130	D	51.7	Low	71.1	Confident	151 Å²	151	72.4 Å²	72.4	81%	0.807	35%	0.35	S	S	*	.	S	Bend	trans	-95.2	-10.4	-167.2	-71.8	-28.7	0	0	0	114.1	E128	E128-D130 PolarHBondContact O-N 3.31Å
131	E	50.1	Low	71	Confident	63 Å²	63	72 Å²	72	29%	0.294	35%	0.348	S	S	.	.			trans	-112.8	74.2	-175.9	-62.8	-156.2	-150.1	0	0	111.2	Q9 H133 K134	Q9-E131 PolarHBondContact NE2-OE1 2.97Å; Q9-E131 VanDerWaalsContact NE2-OE1 3.11Å; E131-H133 PolarHBondContact O-N 3.19Å; E131-K134 HydrophobicContact CB-CB 4.21Å; E131-K134 HydrophobicContact CB-CD 4.47Å; E131-K134 HydrophobicContact CB-CG 4.4Å; E131-K134 PolarHBondContact O-N 3.07Å; E131-K134 IonicContact OE1-NZ 3.82Å; E131-K134 PolarHBondContact OE1-NZ 2.98Å; E131-K134 WeakPolarHBondContact OE2-CD 3.36Å; E131-K134 WeakPolarHBondContact OE2-CE 3.3Å; E131-K134 WeakPolarHBondContact OE2-CG 3.17Å; E131-K134 IonicContact OE2-NZ 3.92Å; E131-K134 PolarHBondContact OE2-NZ 2.92Å
132	K	49.9	Very low	70.9	Confident	196 Å²	196	70.4 Å²	70.4	85%	0.852	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-10.2	173.1	-70.8	-174.8	179.3	178.6	0	114.4
133	H	50.3	Low	71.1	Confident	190 Å²	190	70.3 Å²	70.3	88%	0.88	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	3.9	-173.5	-66	-57.4	0	0	0	114.7	E131	E131-H133 PolarHBondContact O-N 3.19Å
134	K	57.3	Low	71.3	Confident	115 Å²	115	73.1 Å²	73.1	50%	0.5	35%	0.349	S	S	.	.	S	Bend	trans	-93.7	140.7	168.6	-89	-172.8	-173.6	144.6	0	110.5	E131	E131-K134 HydrophobicContact CB-CB 4.21Å; E131-K134 HydrophobicContact CB-CD 4.47Å; E131-K134 HydrophobicContact CB-CG 4.4Å; E131-K134 PolarHBondContact O-N 3.07Å; E131-K134 IonicContact OE1-NZ 3.82Å; E131-K134 PolarHBondContact OE1-NZ 2.98Å; E131-K134 WeakPolarHBondContact OE2-CD 3.36Å; E131-K134 WeakPolarHBondContact OE2-CE 3.3Å; E131-K134 WeakPolarHBondContact OE2-CG 3.17Å; E131-K134 IonicContact OE2-NZ 3.92Å; E131-K134 PolarHBondContact OE2-NZ 2.92Å
135	D	59.3	Low	71.7	Confident	148 Å²	148	73 Å²	73	79%	0.791	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-61	137.8	167.2	-69.5	-39.2	0	0	0	109.1
136	P	65.1	Low	72.1	Confident	51 Å²	51	72.7 Å²	72.7	33%	0.331	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.1	140.1	179	27.1	-34.9	0	0	0	110.3	E125 S126 V127 E138	E125-P136 HydrophobicContact CG-CB 3.44Å; E125-P136 VanDerWaalsContact CG-CB 3.44Å; E125-P136 HydrophobicContact CG-CG 3.95Å; E125-P136 VanDerWaalsContact OE1-CB 3.3Å; E125-P136 WeakPolarHBondContact OE1-CB 3.42Å; E125-P136 WeakPolarHBondContact OE1-CG 3.41Å; S126-P136 WeakPolarHBondContact O-CA 3.36Å; V127-P136 HydrophobicContact CG2-CB 4.4Å; P136-E138 PolarHBondContact O-N 3.16Å
137	T	73.8	Confident	72.8	Confident	54 Å²	54	74.9 Å²	74.9	33%	0.331	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.1	175.3	45.4	0	0	0	0	109.5	S126 Y139	S126-T137 WeakPolarHBondContact CB-OG1 3.43Å; S126-T137 PolarHBondContact N-O 3.11Å; S126-T137 PolarHBondContact O-N 3.17Å; T137-Y139 WeakPolarHBondContact CB-OH 3.45Å; T137-Y139 WeakPolarHBondContact O-CE2 3.32Å; T137-Y139 WeakPolarHBondContact OG1-CE2 3.44Å; T137-Y139 PolarHBondContact OG1-OH 3.48Å
138	E	79.3	Confident	73.8	Confident	102 Å²	102	73.5 Å²	73.5	48%	0.477	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.8	177.3	-64.4	-169.6	-178.6	0	0	110.6	K16 I124 P136	K16-E138 IonicContact NZ-OE1 3.47Å; K16-E138 PolarHBondContact NZ-OE1 3.04Å; K16-E138 IonicContact NZ-OE2 2.81Å; K16-E138 PolarHBondContact NZ-OE2 3.2Å; I124-E138 CarbonylContact O-C 3.48Å; I124-E138 WeakPolarHBondContact O-CA 3.24Å; P136-E138 PolarHBondContact O-N 3.16Å
139	Y	80.9	Confident	74.9	Confident	24 Å²	24	73.3 Å²	73.3	9%	0.094	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.3	177	-55	-83.1	0	0	0	109.1	F45 H47 R53 E123 I124 T137	F45-Y139 HydrophobicContact CZ-CD1 4.23Å; H47-Y139 AromaticContact CD2-CD1 3.79Å; H47-Y139 AromaticContact CD2-CE1 3.3Å; H47-Y139 WeakPolarHBondContact CD2-CE1 3.49Å; H47-Y139 AromaticContact NE2-CE1 3.57Å; R53-Y139 PolarHBondContact NH1-OH 3.17Å; E123-Y139 CarbonylContact C-O 3.57Å; E123-Y139 WeakPolarHBondContact CA-O 3.35Å; I124-Y139 PolarHBondContact N-O 3.22Å; I124-Y139 WeakPolarHBondContact O-CD2 3.43Å; I124-Y139 PolarHBondContact O-N 3.01Å; T137-Y139 WeakPolarHBondContact CB-OH 3.45Å; T137-Y139 WeakPolarHBondContact O-CE2 3.32Å; T137-Y139 WeakPolarHBondContact OG1-CE2 3.44Å; T137-Y139 PolarHBondContact OG1-OH 3.48Å
140	K	87	Confident	76.2	Confident	100 Å²	100	70.6 Å²	70.6	44%	0.435	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.4	168.7	-54.4	-163.1	-175.8	-147.9	0	108.6	F45 N46 V122 E123	F45-K140 WeakPolarHBondContact CA-O 3.44Å; N46-K140 HydrophobicContact CB-CB 4.24Å; N46-K140 PolarHBondContact N-O 2.95Å; V122-K140 WeakPolarHBondContact O-CA 3.13Å; E123-K140 HydrophobicContact CG-CD 4.43Å; E123-K140 HydrophobicContact CG-CG 4.27Å; E123-K140 WeakPolarHBondContact OE1-CE 3.11Å; E123-K140 IonicContact OE1-NZ 2.78Å; E123-K140 PolarHBondContact OE1-NZ 2.92Å
141	L	88.7	Confident	77.6	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.7	-179	174.2	59.7	0	0	0	108.8	V42 F45 L73 V107 V122 I124 L143	V42-L141 HydrophobicContact CG1-CD1 3.89Å; F45-L141 HydrophobicContact CB-CD1 4.36Å; F45-L141 HydrophobicContact CD2-CB 3.92Å; F45-L141 HydrophobicContact CD2-CD1 3.64Å; F45-L141 HydrophobicContact CD2-CG 4.29Å; F45-L141 HydrophobicContact CE2-CB 4.26Å; F45-L141 HydrophobicContact CE2-CD1 4.38Å; F45-L141 HydrophobicContact CG-CD1 4.36Å; L73-L141 HydrophobicContact CD2-CD1 4.08Å; L73-L141 HydrophobicContact CD2-CD2 4.47Å; V107-L141 HydrophobicContact CG2-CD2 4.27Å; V122-L141 PolarHBondContact N-O 3.15Å; V122-L141 PolarHBondContact O-N 3.34Å; I124-L141 HydrophobicContact CD1-CB 4.12Å; I124-L141 HydrophobicContact CD1-CD2 3.97Å; L141-L143 HydrophobicContact CD1-CD1 4.33Å; L141-L143 HydrophobicContact CD1-CD2 3.99Å; L141-L143 HydrophobicContact CD1-CG 3.83Å; L141-L143 HydrophobicContact CD2-CD1 3.63Å; L141-L143 HydrophobicContact CD2-CG 4.08Å; L141-L143 HydrophobicContact CG-CD1 3.86Å; L141-L143 HydrophobicContact CG-CD2 4.42Å; L141-L143 HydrophobicContact CG-CG 3.75Å
142	S	91.1	Very high	78.8	Confident	21 Å²	21	62.7 Å²	62.7	15%	0.147	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.4	174.6	-57	0	0	0	0	108.8	I43 D44 F120 N121	I43-S142 PolarHBondContact N-O 2.86Å; D44-S142 PolarHBondContact N-O 3.3Å; D44-S142 PolarHBondContact O-N 3.25Å; F120-S142 CarbonylContact O-C 3.54Å; F120-S142 WeakPolarHBondContact O-CA 3.43Å; N121-S142 WeakPolarHBondContact OD1-CB 3.42Å; N121-S142 PolarHBondContact OD1-OG 3.24Å; N121-S142 VanDerWaalsContact OD1-OG 3.07Å
143	L	92.5	Very high	79.8	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.8	-175.3	-74.3	166.8	0	0	0	110.2	V42 F79 V107 V119 F120 L141	V42-L143 HydrophobicContact CB-CD2 4.44Å; V42-L143 HydrophobicContact CG2-CD2 3.82Å; F79-L143 HydrophobicContact CE1-CD2 3.51Å; F79-L143 HydrophobicContact CZ-CD2 3.8Å; V107-L143 HydrophobicContact CG2-CD1 4.26Å; V119-L143 CarbonylContact C-O 3.53Å; V119-L143 VanDerWaalsContact CA-O 3.3Å; V119-L143 WeakPolarHBondContact CA-O 3.4Å; F120-L143 PolarHBondContact N-O 3.42Å; F120-L143 PolarHBondContact O-N 3.49Å; L141-L143 HydrophobicContact CD1-CD1 4.33Å; L141-L143 HydrophobicContact CD1-CD2 3.99Å; L141-L143 HydrophobicContact CD1-CG 3.83Å; L141-L143 HydrophobicContact CD2-CD1 3.63Å; L141-L143 HydrophobicContact CD2-CG 4.08Å; L141-L143 HydrophobicContact CG-CD1 3.86Å; L141-L143 HydrophobicContact CG-CD2 4.42Å; L141-L143 HydrophobicContact CG-CG 3.75Å
144	R	92.5	Very high	80.3	Confident	96 Å²	96	50.8 Å²	50.8	36%	0.362	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.7	165.9	-175.3	179.2	67.8	-156.8	-2.3	109.9	C40 T41 I43 D118 V119 D146	C40-R144 CarbonylContact C-O 3.53Å; C40-R144 VanDerWaalsContact CA-O 3.23Å; C40-R144 WeakPolarHBondContact CA-O 3.47Å; T41-R144 PolarHBondContact N-O 3.16Å; T41-R144 PolarHBondContact O-N 3.21Å; T41-R144 PolarHBondContact OG1-NH2 3.02Å; I43-R144 HydrophobicContact CD1-CB 3.91Å; I43-R144 HydrophobicContact CG1-CB 4.16Å; D118-R144 CarbonylContact O-C 3.6Å; D118-R144 WeakPolarHBondContact O-CA 3.27Å; V119-R144 HydrophobicContact CG2-CB 4.06Å; V119-R144 HydrophobicContact CG2-CG 3.86Å; R144-D146 IonicContact CZ-OD1 3.31Å; R144-D146 VanDerWaalsContact CZ-OD1 3.31Å; R144-D146 IonicContact NE-OD1 2.81Å; R144-D146 PolarHBondContact NE-OD1 2.84Å; R144-D146 IonicContact NH2-OD1 2.92Å; R144-D146 PolarHBondContact NH2-OD1 2.87Å
145	V	92.1	Very high	80.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	109.3	169.4	-174.5	0	0	0	0	107.7	L111 C114 G117 D118 F120 V148	L111-V145 HydrophobicContact CD2-CG2 3.68Å; C114-V145 HydrophobicContact CB-CG2 4.11Å; G117-V145 WeakPolarHBondContact CA-O 3.34Å; G117-V145 PolarHBondContact N-O 3.15Å; D118-V145 HydrophobicContact CB-CB 4.43Å; D118-V145 HydrophobicContact CB-CG2 4.19Å; D118-V145 PolarHBondContact O-N 3.15Å; F120-V145 HydrophobicContact CD2-CG2 4.25Å; F120-V145 HydrophobicContact CE2-CG2 3.84Å; V145-V148 HydrophobicContact CG1-CG2 3.5Å; V145-V148 VanDerWaalsContact CG1-CG2 3.5Å
146	D	89.8	Confident	79.4	Confident	29 Å²	29	44 Å²	44	16%	0.155	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-40.5	179.6	-57.8	-41	0	0	0	110.7	F39 T41 R144 Y301	F39-D146 HydrophobicContact CB-CB 4.45Å; F39-D146 PolarHBondContact O-N 2.92Å; T41-D146 PolarHBondContact N-OD2 3.35Å; T41-D146 VanDerWaalsContact OG1-CG 3.28Å; T41-D146 PolarHBondContact OG1-OD1 3.12Å; T41-D146 PolarHBondContact OG1-OD2 3.07Å; R144-D146 IonicContact CZ-OD1 3.31Å; R144-D146 VanDerWaalsContact CZ-OD1 3.31Å; R144-D146 IonicContact NE-OD1 2.81Å; R144-D146 PolarHBondContact NE-OD1 2.84Å; R144-D146 IonicContact NH2-OD1 2.92Å; R144-D146 PolarHBondContact NH2-OD1 2.87Å; D146-Y301 WeakPolarHBondContact OD2-CE1 3.3Å; D146-Y301 PolarHBondContact OD2-OH 3.31Å
147	Y	88.6	Confident	78.4	Confident	49 Å²	49	46.9 Å²	46.9	19%	0.192	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	149.8	-179	-169	-99.4	0	0	0	112	F39 L149 I288 L296	F39-Y147 HydrophobicContact CD2-CD1 4.04Å; F39-Y147 HydrophobicContact CE2-CD1 4.33Å; F39-Y147 PolarHBondContact N-O 3.37Å; F39-Y147 PolarHBondContact O-N 3.13Å; Y147-L149 HydrophobicContact CD1-CB 4.46Å; Y147-L149 HydrophobicContact CE1-CB 3.98Å; Y147-L149 HydrophobicContact CE1-CD1 4.5Å; Y147-I288 HydrophobicContact CD1-CD1 3.9Å; Y147-I288 HydrophobicContact CD1-CG2 4.22Å; Y147-I288 HydrophobicContact CE1-CD1 3.86Å; Y147-I288 HydrophobicContact CE1-CG2 3.71Å; Y147-I288 HydrophobicContact CE2-CG2 4.29Å; Y147-L296 HydrophobicContact CD2-CD1 4.29Å; Y147-L296 HydrophobicContact CG-CD1 3.99Å
148	V	88.4	Confident	76.7	Confident	15 Å²	15	49.3 Å²	49.3	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.1	174	-178.3	0	0	0	0	108.6	A32 V145 V150	A32-V148 HydrophobicContact CB-CG1 3.63Å; A32-V148 HydrophobicContact CB-CG2 4.37Å; V145-V148 HydrophobicContact CG1-CG2 3.5Å; V145-V148 VanDerWaalsContact CG1-CG2 3.5Å; V148-V150 HydrophobicContact CG1-CG2 3.69Å
149	L	87.5	Confident	74.8	Confident	44 Å²	44	51 Å²	51	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.4	168.2	-177.9	66.5	0	0	0	108.7	S36 L37 Y147 V281	S36-L149 CarbonylContact C-O 3.58Å; S36-L149 VanDerWaalsContact CA-O 3.29Å; S36-L149 WeakPolarHBondContact CA-O 3.42Å; L37-L149 HydrophobicContact CB-CB 4.23Å; L37-L149 HydrophobicContact CD2-CD2 4.42Å; L37-L149 PolarHBondContact N-O 2.96Å; L37-L149 PolarHBondContact O-N 3.32Å; Y147-L149 HydrophobicContact CD1-CB 4.46Å; Y147-L149 HydrophobicContact CE1-CB 3.98Å; Y147-L149 HydrophobicContact CE1-CD1 4.5Å; L149-V281 HydrophobicContact CD2-CB 4.38Å; L149-V281 HydrophobicContact CD2-CG1 3.71Å
150	V	84.6	Confident	72.7	Confident	32 Å²	32	57.2 Å²	57.2	19%	0.194	32%	0.315	C	S	.	.			trans	-85.1	145.8	179.9	180	0	0	0	0	110.1	Y30 K31 V148	Y30-V150 VanDerWaalsContact CB-CG2 3.47Å; K31-V150 WeakPolarHBondContact O-CG2 3.23Å; V148-V150 HydrophobicContact CG1-CG2 3.69Å
151	P	81.6	Confident	70.3	Confident	15 Å²	15	55 Å²	55	10%	0.097	32%	0.315	C	S	.	.			trans	-40.4	147.7	165.5	-35.1	36.6	0	0	0	114.2	S36 I153 L182 Q185	S36-P151 VanDerWaalsContact OG-CD 3.24Å; S36-P151 WeakPolarHBondContact OG-CD 3.44Å; P151-I153 PolarHBondContact O-N 3.19Å; P151-L182 HydrophobicContact CB-CD1 3.91Å; P151-Q185 VanDerWaalsContact CA-OE1 3.31Å
152	P	75.6	Confident	67.8	Low	34 Å²	34	58.8 Å²	58.8	22%	0.221	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-53	135.1	164.5	-21.7	33	0	0	0	110.3	D181 L182	P152-D181 HydrophobicContact CB-CB 3.92Å; P152-D181 HydrophobicContact CG-CB 3.87Å; P152-L182 HydrophobicContact CB-CB 4.26Å; P152-L182 WeakPolarHBondContact O-CD1 3.36Å
153	I	69.4	Low	65.5	Low	80 Å²	80	63.1 Å²	63.1	41%	0.41	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-90.3	142.7	-175.9	-56.3	173.8	0	0	0	108.9	Y30 P151 G155 N179	Y30-I153 HydrophobicContact CD1-CD1 3.62Å; Y30-I153 HydrophobicContact CE1-CD1 3.27Å; P151-I153 PolarHBondContact O-N 3.19Å; I153-G155 PolarHBondContact O-N 3.24Å; I153-N179 PolarHBondContact O-ND2 3.43Å
154	C	61.7	Low	63.2	Low	56 Å²	56	71 Å²	71	38%	0.378	40%	0.402	S	S	.	.	S	Bend	trans	-67.2	121.4	165.6	-74	0	0	0	0	109.3	D177 L182	C154-D177 WeakPolarHBondContact CA-O 3.45Å; C154-D177 HydrophobicContact CB-CB 4.41Å; C154-D177 WeakPolarHBondContact CB-O 3.29Å; C154-D177 PolarHBondContact SG-O 3.25Å; C154-D177 VanDerWaalsContact SG-O 3.34Å; C154-L182 VanDerWaalsContact SG-CD2 3.53Å
155	G	52.9	Low	60.8	Low	35 Å²	35	70.5 Å²	70.5	36%	0.361	41%	0.405	S	S	.	.	S	Bend	trans	89.1	127.2	-175.4	0	0	0	0	0	113.1	I153 P157	I153-G155 PolarHBondContact O-N 3.24Å; G155-P157 WeakPolarHBondContact O-CD 3.48Å
156	D	44.2	Very low	58.2	Low	85 Å²	85	76.1 Å²	76.1	46%	0.455	44%	0.435	S	S	.	.			trans	-74.3	120.2	168	-171.1	-19.8	0	0	0	107.6	T158 M159	D156-T158 PolarHBondContact O-N 3.22Å; D156-T158 PolarHBondContact OD1-N 2.93Å; D156-T158 PolarHBondContact OD1-OG1 3.35Å; D156-T158 PolarHBondContact OD2-OG1 2.71Å; D156-M159 HydrophobicContact CB-CB 4.03Å; D156-M159 HydrophobicContact CB-CG 3.68Å; D156-M159 PolarHBondContact O-N 2.71Å
157	P	43.4	Very low	56.1	Low	112 Å²	112	82.6 Å²	82.6	73%	0.727	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.8	178.5	22.9	-31.4	0	0	0	112.8	G155	G155-P157 WeakPolarHBondContact O-CD 3.48Å
158	T	39.6	Very low	54	Low	104 Å²	104	82.2 Å²	82.2	64%	0.638	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-13.5	175.6	66.9	0	0	0	0	114.4	D156 N160	D156-T158 PolarHBondContact O-N 3.22Å; D156-T158 PolarHBondContact OD1-N 2.93Å; D156-T158 PolarHBondContact OD1-OG1 3.35Å; D156-T158 PolarHBondContact OD2-OG1 2.71Å; T158-N160 PolarHBondContact O-N 3.2Å; T158-N160 VanDerWaalsContact O-N 3.09Å
159	M	38.2	Very low	51.9	Low	137 Å²	137	86 Å²	86	68%	0.675	49%	0.488	S	S	*	.			trans	-84.3	88.5	175.5	-70.1	-69.2	153.6	0	0	108.8	D156 A161	D156-M159 HydrophobicContact CB-CB 4.03Å; D156-M159 HydrophobicContact CB-CG 3.68Å; D156-M159 PolarHBondContact O-N 2.71Å; M159-A161 PolarHBondContact O-N 3.35Å
160	N	36.7	Very low	49.9	Very low	155 Å²	155	88.6 Å²	88.6	83%	0.829	51%	0.506	S	S	*	.			trans	-56.4	93.4	151.2	-71.9	-42.7	0	0	0	106.5	T158	T158-N160 PolarHBondContact O-N 3.2Å; T158-N160 VanDerWaalsContact O-N 3.09Å
161	A	37.2	Very low	48	Very low	54 Å²	54	97 Å²	97	45%	0.446	53%	0.534	S	S	.	.			trans	-51.9	130.5	170.6	0	0	0	0	0	107.3	M159 V163	M159-A161 PolarHBondContact O-N 3.35Å; A161-V163 PolarHBondContact O-N 3.44Å
162	P	36.9	Very low	46.4	Very low	80 Å²	80	103 Å²	103	52%	0.519	56%	0.561	S	S	.	*			trans	-50.9	132.4	174.7	-21.9	29.7	0	0	0	108.7	E164 I165	P162-E164 PolarHBondContact O-N 2.79Å; P162-I165 HydrophobicContact CG-CD1 4.49Å; P162-I165 PolarHBondContact O-N 2.75Å
163	V	42.6	Very low	44.7	Very low	112 Å²	112	103.9 Å²	103.9	68%	0.679	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-51.2	-24.9	-176.5	175.3	0	0	0	0	112.4	A161 I165 L166	A161-V163 PolarHBondContact O-N 3.44Å; V163-I165 VanDerWaalsContact C-N 3.3Å; V163-I165 PolarHBondContact O-N 2.73Å; V163-L166 WeakPolarHBondContact O-CB 3.2Å; V163-L166 PolarHBondContact O-N 3.11Å; V163-L166 VanDerWaalsContact O-N 3.16Å
164	E	44.1	Very low	43.7	Very low	166 Å²	166	104 Å²	104	78%	0.776	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-63.7	-27.1	176.3	-65.9	178.2	172.3	0	0	114	P162 L166 E167	P162-E164 PolarHBondContact O-N 2.79Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.28Å; E164-E167 PolarHBondContact O-N 2.83Å
165	I	42.3	Very low	43	Very low	86 Å²	86	103.8 Å²	103.8	44%	0.441	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-76.5	-19.1	177	-57.4	-179.1	0	0	0	111.6	P162 V163 E167 S168 N173	P162-I165 HydrophobicContact CG-CD1 4.49Å; P162-I165 PolarHBondContact O-N 2.75Å; V163-I165 VanDerWaalsContact C-N 3.3Å; V163-I165 PolarHBondContact O-N 2.73Å; I165-E167 VanDerWaalsContact C-N 3.33Å; I165-S168 PolarHBondContact O-OG 3.4Å; I165-N173 WeakPolarHBondContact CG2-ND2 3.38Å; I165-N173 PolarHBondContact O-ND2 3.03Å
166	L	38.1	Very low	42.7	Very low	118 Å²	118	105 Å²	105	62%	0.618	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-82.3	-8.2	175.4	-82.6	150.2	0	0	0	113.3	V163 E164	V163-L166 WeakPolarHBondContact O-CB 3.2Å; V163-L166 PolarHBondContact O-N 3.11Å; V163-L166 VanDerWaalsContact O-N 3.16Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.28Å
167	E	44.7	Very low	43.2	Very low	166 Å²	166	105.7 Å²	105.7	78%	0.776	58%	0.575	S	S	*	*	S	Bend	trans	-83.6	-17.1	178.4	-69	-164.9	164.8	0	0	113.7	E164 I165	E164-E167 PolarHBondContact O-N 2.83Å; I165-E167 VanDerWaalsContact C-N 3.33Å
168	S	44.2	Very low	44.1	Very low	40 Å²	40	103.1 Å²	103.1	28%	0.28	55%	0.551	S	S	.	*	S	Bend	trans	-75.5	145.8	163.7	57.2	0	0	0	0	109.5	I165 V170 N173	I165-S168 PolarHBondContact O-OG 3.4Å; S168-V170 PolarHBondContact O-N 2.84Å; S168-V170 VanDerWaalsContact O-N 3.17Å; S168-N173 VanDerWaalsContact OG-CG 3.29Å; S168-N173 PolarHBondContact OG-ND2 2.84Å
169	D	44.7	Very low	45.5	Very low	95 Å²	95	99.9 Å²	99.9	51%	0.508	53%	0.53	S	S	.	.			trans	-49	127.1	-177.4	-165.9	-16.6	0	0	0	108.8	R171 E172 N173	D169-R171 CarbonylContact O-C 3.58Å; D169-R171 PolarHBondContact O-N 2.78Å; D169-R171 PolarHBondContact OD1-N 2.77Å; D169-E172 HydrophobicContact CB-CG 4.26Å; D169-E172 WeakPolarHBondContact O-CA 3.01Å; D169-E172 WeakPolarHBondContact O-CB 3.42Å; D169-E172 PolarHBondContact O-N 2.81Å; D169-N173 PolarHBondContact O-N 3.48Å
170	V	44.6	Very low	47.1	Very low	98 Å²	98	95.6 Å²	95.6	59%	0.594	51%	0.512	S	S	*	.	H	α-helix	trans	-51.8	-26.2	-179.6	176.3	0	0	0	0	110.5	S168 N173 T174	S168-V170 PolarHBondContact O-N 2.84Å; S168-V170 VanDerWaalsContact O-N 3.17Å; V170-N173 PolarHBondContact O-N 3.23Å; V170-T174 WeakPolarHBondContact O-CG2 3.48Å; V170-T174 PolarHBondContact O-N 2.65Å
171	R	45.5	Very low	48.9	Very low	210 Å²	210	89.1 Å²	89.1	79%	0.792	48%	0.478	S	S	*	.	H	α-helix	trans	-65.2	-35.6	172.9	-66.5	-176.7	170	-158	-2.1	114.5	D169	D169-R171 CarbonylContact O-C 3.58Å; D169-R171 PolarHBondContact O-N 2.78Å; D169-R171 PolarHBondContact OD1-N 2.77Å
172	E	47.2	Very low	51	Low	140 Å²	140	87.3 Å²	87.3	65%	0.654	46%	0.461	S	S	*	.	H	α-helix	trans	-76.3	-31.8	177.4	-68.7	-178.2	166.6	0	0	111.5	D169	D169-E172 HydrophobicContact CB-CG 4.26Å; D169-E172 WeakPolarHBondContact O-CA 3.01Å; D169-E172 WeakPolarHBondContact O-CB 3.42Å; D169-E172 PolarHBondContact O-N 2.81Å
173	N	41.4	Very low	53.2	Low	52 Å²	52	84 Å²	84	28%	0.278	44%	0.44	S	S	.	.	H	α-helix	trans	-103.6	2	-171.3	-99.5	5.4	0	0	0	116.8	I165 S168 D169 V170 T175 A176	I165-N173 WeakPolarHBondContact CG2-ND2 3.38Å; I165-N173 PolarHBondContact O-ND2 3.03Å; S168-N173 VanDerWaalsContact OG-CG 3.29Å; S168-N173 PolarHBondContact OG-ND2 2.84Å; D169-N173 PolarHBondContact O-N 3.48Å; V170-N173 PolarHBondContact O-N 3.23Å; N173-T175 PolarHBondContact O-N 2.72Å; N173-A176 PolarHBondContact O-N 2.96Å
174	T	47	Very low	55.1	Low	84 Å²	84	81 Å²	81	52%	0.515	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-18.4	173.8	59.8	0	0	0	0	113.8	V170 W178	V170-T174 WeakPolarHBondContact O-CG2 3.48Å; V170-T174 PolarHBondContact O-N 2.65Å; T174-W178 PolarHBondContact O-NE1 3.23Å
175	T	47.2	Very low	57.1	Low	51 Å²	51	73.8 Å²	73.8	31%	0.313	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-19	179.4	55.4	0	0	0	0	115.7	N173 D177 W178 T252	N173-T175 PolarHBondContact O-N 2.72Å; T175-D177 PolarHBondContact O-N 3.39Å; T175-D177 VanDerWaalsContact O-N 3.16Å; T175-W178 PolarHBondContact O-N 2.87Å; T175-T252 HydrophobicContact CG2-CG2 4.16Å
176	A	47.6	Very low	59.4	Low	60 Å²	60	71.4 Å²	71.4	50%	0.496	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.7	177.8	0	0	0	0	0	112.4	N173	N173-A176 PolarHBondContact O-N 2.96Å
177	D	53.1	Low	61.8	Low	99 Å²	99	66.3 Å²	66.3	53%	0.529	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.9	-179	-67.2	-26.7	0	0	0	114.2	C154 T175 N179	C154-D177 WeakPolarHBondContact CA-O 3.45Å; C154-D177 HydrophobicContact CB-CB 4.41Å; C154-D177 WeakPolarHBondContact CB-O 3.29Å; C154-D177 PolarHBondContact SG-O 3.25Å; C154-D177 VanDerWaalsContact SG-O 3.34Å; T175-D177 PolarHBondContact O-N 3.39Å; T175-D177 VanDerWaalsContact O-N 3.16Å; D177-N179 PolarHBondContact O-N 3.49Å; D177-N179 VanDerWaalsContact O-N 3.15Å
178	W	62.8	Low	63.9	Low	59 Å²	59	58.5 Å²	58.5	22%	0.223	31%	0.308	C	S	.	.			trans	-73.3	113.8	-175.7	-72.3	54.2	0	0	0	110.5	T174 T175 P180 W186 L245 W248 A249 C253	T174-W178 PolarHBondContact O-NE1 3.23Å; T175-W178 PolarHBondContact O-N 2.87Å; W178-P180 WeakPolarHBondContact O-CD 3.26Å; W178-W186 AromaticContact CE3-CH2 3.95Å; W178-W186 HydrophobicContact CE3-CH2 3.95Å; W178-W186 AromaticContact CE3-CZ3 3.67Å; W178-W186 HydrophobicContact CE3-CZ3 3.67Å; W178-W186 AromaticContact CZ3-CH2 3.92Å; W178-W186 HydrophobicContact CZ3-CH2 3.92Å; W178-W186 AromaticContact CZ3-CZ3 3.56Å; W178-W186 HydrophobicContact CZ3-CZ3 3.56Å; W178-L245 HydrophobicContact CH2-CD2 3.83Å; W178-L245 HydrophobicContact CZ3-CB 4.32Å; W178-L245 HydrophobicContact CZ3-CD2 4.28Å; W178-L245 VanDerWaalsContact CZ3-O 3.29Å; W178-L245 WeakPolarHBondContact CZ3-O 3.4Å; W178-W248 HydrophobicContact CH2-CB 4.23Å; W178-W248 HydrophobicContact CZ3-CB 4.41Å; W178-A249 HydrophobicContact CD2-CB 4.4Å; W178-A249 HydrophobicContact CE3-CB 3.37Å; W178-A249 HydrophobicContact CZ3-CB 3.83Å; W178-C253 PolarHBondContact O-SG 3.25Å; W178-C253 VanDerWaalsContact O-SG 3.34Å
179	N	70.1	Confident	66.2	Low	36 Å²	36	56.8 Å²	56.8	19%	0.193	30%	0.296	C	S	.	.			trans	-80.1	117.6	178.3	-174.8	-19.3	0	0	0	109.8	I153 D177 D181 L182 A183	I153-N179 PolarHBondContact O-ND2 3.43Å; D177-N179 PolarHBondContact O-N 3.49Å; D177-N179 VanDerWaalsContact O-N 3.15Å; N179-D181 PolarHBondContact O-N 3.15Å; N179-D181 VanDerWaalsContact OD1-CB 3.26Å; N179-D181 WeakPolarHBondContact OD1-CB 3.27Å; N179-D181 PolarHBondContact OD1-N 3.25Å; N179-L182 HydrophobicContact CB-CB 3.97Å; N179-L182 WeakPolarHBondContact O-CB 3.33Å; N179-L182 PolarHBondContact O-N 3.07Å; N179-A183 PolarHBondContact O-N 3.37Å; N179-A183 VanDerWaalsContact O-N 3.16Å
180	P	71.1	Confident	68.5	Low	46 Å²	46	52.3 Å²	52.3	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-59.8	-28.9	177.9	24.6	-34.1	0	0	0	112.3	W178 L182 A183 I184	W178-P180 WeakPolarHBondContact O-CD 3.26Å; P180-L182 VanDerWaalsContact C-N 3.32Å; P180-L182 PolarHBondContact O-N 3.31Å; P180-A183 WeakPolarHBondContact O-CB 3.39Å; P180-A183 PolarHBondContact O-N 3.44Å; P180-I184 PolarHBondContact O-N 3.02Å; P180-I184 VanDerWaalsContact O-N 3.16Å
181	D	74	Confident	70.8	Confident	20 Å²	20	48.6 Å²	48.6	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-36.5	177.6	-58.9	-13.2	0	0	0	111.3	P152 N179 A183 I184 Q185 N275	P152-D181 HydrophobicContact CB-CB 3.92Å; P152-D181 HydrophobicContact CG-CB 3.87Å; N179-D181 PolarHBondContact O-N 3.15Å; N179-D181 VanDerWaalsContact OD1-CB 3.26Å; N179-D181 WeakPolarHBondContact OD1-CB 3.27Å; N179-D181 PolarHBondContact OD1-N 3.25Å; D181-A183 VanDerWaalsContact C-N 3.33Å; D181-I184 PolarHBondContact O-N 3.08Å; D181-Q185 PolarHBondContact O-N 3.48Å; D181-N275 WeakPolarHBondContact CA-OD1 3.14Å; D181-N275 WeakPolarHBondContact CB-OD1 3.48Å; D181-N275 VanDerWaalsContact OD1-CG 3.31Å; D181-N275 PolarHBondContact OD1-ND2 2.94Å; D181-N275 PolarHBondContact OD1-OD1 3.26Å
182	L	81.5	Confident	73	Confident	16 Å²	16	38.7 Å²	38.7	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-35.5	174.2	-177.5	56.8	0	0	0	111.3	P151 P152 C154 N179 P180 I184 Q185 W186	P151-L182 HydrophobicContact CB-CD1 3.91Å; P152-L182 HydrophobicContact CB-CB 4.26Å; P152-L182 WeakPolarHBondContact O-CD1 3.36Å; C154-L182 VanDerWaalsContact SG-CD2 3.53Å; N179-L182 HydrophobicContact CB-CB 3.97Å; N179-L182 WeakPolarHBondContact O-CB 3.33Å; N179-L182 PolarHBondContact O-N 3.07Å; P180-L182 VanDerWaalsContact C-N 3.32Å; P180-L182 PolarHBondContact O-N 3.31Å; L182-I184 PolarHBondContact O-N 3.31Å; L182-Q185 WeakPolarHBondContact O-CB 3.12Å; L182-Q185 PolarHBondContact O-N 3.46Å; L182-W186 HydrophobicContact CD1-CZ2 4.17Å; L182-W186 HydrophobicContact CD2-CH2 3.77Å; L182-W186 HydrophobicContact CD2-CZ2 3.31Å; L182-W186 HydrophobicContact CG-CD2 4.15Å; L182-W186 HydrophobicContact CG-CH2 3.92Å; L182-W186 HydrophobicContact CG-CZ2 3.43Å; L182-W186 VanDerWaalsContact CG-CZ2 3.43Å; L182-W186 HydrophobicContact CG-CZ3 4.45Å; L182-W186 PolarHBondContact O-N 2.84Å
183	A	83.3	Confident	75.3	Confident	11 Å²	11	32 Å²	32	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-42.1	175.6	0	0	0	0	0	112.4	N179 P180 D181 Q185 W186 L187 A249	N179-A183 PolarHBondContact O-N 3.37Å; N179-A183 VanDerWaalsContact O-N 3.16Å; P180-A183 WeakPolarHBondContact O-CB 3.39Å; P180-A183 PolarHBondContact O-N 3.44Å; D181-A183 VanDerWaalsContact C-N 3.33Å; A183-Q185 VanDerWaalsContact C-N 3.31Å; A183-Q185 PolarHBondContact O-N 3.22Å; A183-W186 HydrophobicContact CB-CE3 4.34Å; A183-W186 PolarHBondContact O-N 3.35Å; A183-L187 WeakPolarHBondContact O-CB 3.46Å; A183-L187 PolarHBondContact O-N 3.37Å; A183-A249 HydrophobicContact CB-CB 3.5Å
184	I	83	Confident	77.8	Confident	49 Å²	49	31.4 Å²	31.4	25%	0.251	17%	0.173	S	C	.	.	H	α-helix	trans	-65.1	-37.3	177	-70.2	161.9	0	0	0	110.8	P180 D181 L182 L187 Y188 N275 W278 I279	P180-I184 PolarHBondContact O-N 3.02Å; P180-I184 VanDerWaalsContact O-N 3.16Å; D181-I184 PolarHBondContact O-N 3.08Å; L182-I184 PolarHBondContact O-N 3.31Å; I184-L187 PolarHBondContact O-N 2.85Å; I184-Y188 PolarHBondContact O-N 3.32Å; I184-N275 HydrophobicContact CD1-CB 3.94Å; I184-N275 WeakPolarHBondContact CD1-ND2 3.32Å; I184-N275 WeakPolarHBondContact CD1-OD1 3.48Å; I184-N275 HydrophobicContact CG2-CB 4.47Å; I184-W278 HydrophobicContact CG2-CZ2 3.78Å; I184-I279 HydrophobicContact CG2-CD1 3.84Å
185	Q	85.4	Confident	80	Confident	13 Å²	13	28.8 Å²	28.8	6%	0.061	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-44.3	172.9	-166.8	-164.1	14	0	0	112.8	G35 P151 D181 L182 A183 L187 Y188 R189 W278	G35-Q185 PolarHBondContact O-NE2 3.11Å; P151-Q185 VanDerWaalsContact CA-OE1 3.31Å; D181-Q185 PolarHBondContact O-N 3.48Å; L182-Q185 WeakPolarHBondContact O-CB 3.12Å; L182-Q185 PolarHBondContact O-N 3.46Å; A183-Q185 VanDerWaalsContact C-N 3.31Å; A183-Q185 PolarHBondContact O-N 3.22Å; Q185-L187 VanDerWaalsContact C-N 3.29Å; Q185-L187 PolarHBondContact O-N 3.43Å; Q185-Y188 PolarHBondContact O-N 3.14Å; Q185-R189 WeakPolarHBondContact O-CB 3.27Å; Q185-R189 WeakPolarHBondContact O-CG 3.44Å; Q185-R189 PolarHBondContact O-N 3.39Å; Q185-W278 HydrophobicContact CB-CH2 4.37Å; Q185-W278 HydrophobicContact CB-CZ2 4.02Å; Q185-W278 HydrophobicContact CG-CE3 4.37Å; Q185-W278 HydrophobicContact CG-CH2 4.23Å; Q185-W278 HydrophobicContact CG-CZ2 4.36Å; Q185-W278 HydrophobicContact CG-CZ3 4.21Å
186	W	90.2	Very high	82.1	Confident	36 Å²	36	26.5 Å²	26.5	14%	0.136	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-43	175.2	-67.1	-26.8	0	0	0	111.6	W178 L182 A183 R189 A190 L242 L245 A246 A249	W178-W186 AromaticContact CE3-CH2 3.95Å; W178-W186 HydrophobicContact CE3-CH2 3.95Å; W178-W186 AromaticContact CE3-CZ3 3.67Å; W178-W186 HydrophobicContact CE3-CZ3 3.67Å; W178-W186 AromaticContact CZ3-CH2 3.92Å; W178-W186 HydrophobicContact CZ3-CH2 3.92Å; W178-W186 AromaticContact CZ3-CZ3 3.56Å; W178-W186 HydrophobicContact CZ3-CZ3 3.56Å; L182-W186 HydrophobicContact CD1-CZ2 4.17Å; L182-W186 HydrophobicContact CD2-CH2 3.77Å; L182-W186 HydrophobicContact CD2-CZ2 3.31Å; L182-W186 HydrophobicContact CG-CD2 4.15Å; L182-W186 HydrophobicContact CG-CH2 3.92Å; L182-W186 HydrophobicContact CG-CZ2 3.43Å; L182-W186 VanDerWaalsContact CG-CZ2 3.43Å; L182-W186 HydrophobicContact CG-CZ3 4.45Å; L182-W186 PolarHBondContact O-N 2.84Å; A183-W186 HydrophobicContact CB-CE3 4.34Å; A183-W186 PolarHBondContact O-N 3.35Å; W186-R189 PolarHBondContact O-N 2.89Å; W186-A190 VanDerWaalsContact O-CB 3.29Å; W186-A190 WeakPolarHBondContact O-CB 3.22Å; W186-A190 PolarHBondContact O-N 3.44Å; W186-L242 HydrophobicContact CB-CB 4.29Å; W186-L242 HydrophobicContact CB-CD2 4.38Å; W186-L242 HydrophobicContact CG-CD2 4.16Å; W186-L245 HydrophobicContact CD2-CB 4.04Å; W186-L245 HydrophobicContact CE3-CB 3.61Å; W186-L245 HydrophobicContact CH2-CB 4.39Å; W186-L245 HydrophobicContact CZ2-CD1 4.45Å; W186-L245 HydrophobicContact CZ3-CB 3.85Å; W186-A246 HydrophobicContact CB-CB 4.17Å; W186-A249 HydrophobicContact CZ3-CB 4.2Å
187	L	89.3	Confident	84.3	Confident	12 Å²	12	23.6 Å²	23.6	6%	0.063	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-46.3	178.4	-179.1	64.3	0	0	0	111.9	A183 I184 Q185 A190 W191 V243 A246 F316 C320 P322 L325	A183-L187 WeakPolarHBondContact O-CB 3.46Å; A183-L187 PolarHBondContact O-N 3.37Å; I184-L187 PolarHBondContact O-N 2.85Å; Q185-L187 VanDerWaalsContact C-N 3.29Å; Q185-L187 PolarHBondContact O-N 3.43Å; L187-A190 WeakPolarHBondContact O-CB 3.38Å; L187-A190 PolarHBondContact O-N 2.91Å; L187-W191 WeakPolarHBondContact O-CB 3.43Å; L187-W191 PolarHBondContact O-N 3.46Å; L187-V243 HydrophobicContact CD1-CG2 4.1Å; L187-A246 HydrophobicContact CB-CB 4.1Å; L187-F316 HydrophobicContact CB-CZ 4.45Å; L187-F316 HydrophobicContact CD2-CZ 3.91Å; L187-F316 HydrophobicContact CG-CE2 4.09Å; L187-F316 HydrophobicContact CG-CZ 3.86Å; L187-C320 HydrophobicContact CD2-CB 4.33Å; L187-C320 VanDerWaalsContact CD2-O 3.29Å; L187-C320 WeakPolarHBondContact CD2-O 3.29Å; L187-P322 HydrophobicContact CD1-CB 4.25Å; L187-P322 HydrophobicContact CD1-CG 4.06Å; L187-P322 HydrophobicContact CD2-CG 4.18Å; L187-L325 HydrophobicContact CD1-CD2 3.8Å
188	Y	88.7	Confident	86.3	Confident	1 Å²	1	19.7 Å²	19.7	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-60.9	-47.2	174.9	173.3	-89.5	0	0	0	112.8	I184 Q185 A190 W191 Y192 W278 I279 V282 K313 F316	I184-Y188 PolarHBondContact O-N 3.32Å; Q185-Y188 PolarHBondContact O-N 3.14Å; Y188-A190 VanDerWaalsContact C-N 3.28Å; Y188-A190 PolarHBondContact O-N 2.94Å; Y188-W191 PolarHBondContact O-N 2.95Å; Y188-Y192 WeakPolarHBondContact O-CB 3.47Å; Y188-Y192 PolarHBondContact O-N 3.36Å; Y188-W278 AromaticContact CD1-CH2 3.69Å; Y188-W278 HydrophobicContact CD1-CH2 3.69Å; Y188-W278 AromaticContact CD1-CZ3 3.94Å; Y188-W278 HydrophobicContact CD1-CZ3 3.94Å; Y188-W278 AromaticContact CD2-CH2 3.85Å; Y188-W278 HydrophobicContact CD2-CH2 3.85Å; Y188-W278 HydrophobicContact CD2-CZ3 4.47Å; Y188-W278 HydrophobicContact CE1-CH2 4.44Å; Y188-W278 HydrophobicContact CE1-CZ3 4.32Å; Y188-W278 AromaticContact CG-CH2 3.39Å; Y188-W278 HydrophobicContact CG-CH2 3.39Å; Y188-W278 HydrophobicContact CG-CZ2 4.38Å; Y188-W278 HydrophobicContact CG-CZ3 4.06Å; Y188-I279 HydrophobicContact CE2-CG2 4.47Å; Y188-V282 HydrophobicContact CE1-CG1 3.64Å; Y188-V282 WeakPolarHBondContact OH-CG1 3.41Å; Y188-K313 VanDerWaalsContact OH-CA 3.31Å; Y188-K313 WeakPolarHBondContact OH-CA 2.81Å; Y188-K313 WeakPolarHBondContact OH-CB 3.07Å; Y188-K313 WeakPolarHBondContact OH-CG 3.31Å; Y188-K313 PolarHBondContact OH-O 3.42Å; Y188-F316 HydrophobicContact CD2-CB 3.59Å; Y188-F316 AromaticContact CD2-CD1 3.7Å; Y188-F316 HydrophobicContact CD2-CD1 3.7Å; Y188-F316 AromaticContact CD2-CD2 3.98Å; Y188-F316 HydrophobicContact CD2-CD2 3.98Å; Y188-F316 HydrophobicContact CD2-CE1 4.36Å; Y188-F316 AromaticContact CD2-CG 3.46Å; Y188-F316 HydrophobicContact CD2-CG 3.46Å; Y188-F316 VanDerWaalsContact CD2-CG 3.46Å; Y188-F316 HydrophobicContact CE2-CB 3.77Å; Y188-F316 HydrophobicContact CE2-CG 4.17Å; Y188-F316 HydrophobicContact CG-CD2 4.5Å; Y188-F316 HydrophobicContact CG-CG 4.36Å
189	R	91.7	Very high	87.6	Confident	5 Å²	5	18.3 Å²	18.3	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-39.9	177.9	-73.6	-177.2	69.1	-156.2	3.2	110.8	D34 G35 L83 N85 Q185 W186 Y192 L193 L242	D34-R189 IonicContact OD1-CZ 2.76Å; D34-R189 IonicContact OD1-NH1 3.96Å; D34-R189 IonicContact OD1-NH2 3.83Å; D34-R189 PolarHBondContact OD1-NH2 3.35Å; D34-R189 IonicContact OD2-CZ 3.32Å; D34-R189 IonicContact OD2-NH1 3.36Å; D34-R189 PolarHBondContact OD2-NH1 3.29Å; D34-R189 IonicContact OD2-NH2 3.48Å; D34-R189 PolarHBondContact OD2-NH2 2.84Å; G35-R189 VanDerWaalsContact CA-NH1 3.3Å; L83-R189 PolarHBondContact O-NH2 3.04Å; L83-R189 VanDerWaalsContact O-NH2 3.14Å; N85-R189 PolarHBondContact OD1-NE 2.68Å; N85-R189 PolarHBondContact OD1-NH2 2.78Å; Q185-R189 WeakPolarHBondContact O-CB 3.27Å; Q185-R189 WeakPolarHBondContact O-CG 3.44Å; Q185-R189 PolarHBondContact O-N 3.39Å; W186-R189 PolarHBondContact O-N 2.89Å; R189-Y192 PolarHBondContact O-N 2.81Å; R189-L193 VanDerWaalsContact O-CB 3.31Å; R189-L193 WeakPolarHBondContact O-CB 3.29Å; R189-L193 WeakPolarHBondContact O-CD1 3.42Å; R189-L193 VanDerWaalsContact O-CG 3.26Å; R189-L193 WeakPolarHBondContact O-CG 3.29Å; R189-L193 PolarHBondContact O-N 2.79Å; R189-L242 HydrophobicContact CB-CD1 3.72Å
190	A	93.8	Very high	88.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-45	174.8	0	0	0	0	0	111.6	W186 L187 Y188 L193 K194 A239 L242 V243 L325	W186-A190 VanDerWaalsContact O-CB 3.29Å; W186-A190 WeakPolarHBondContact O-CB 3.22Å; W186-A190 PolarHBondContact O-N 3.44Å; L187-A190 WeakPolarHBondContact O-CB 3.38Å; L187-A190 PolarHBondContact O-N 2.91Å; Y188-A190 VanDerWaalsContact C-N 3.28Å; Y188-A190 PolarHBondContact O-N 2.94Å; A190-L193 PolarHBondContact O-N 3.36Å; A190-K194 WeakPolarHBondContact O-CB 3.5Å; A190-K194 PolarHBondContact O-N 3.27Å; A190-A239 HydrophobicContact CB-CB 4.27Å; A190-A239 WeakPolarHBondContact CB-O 3.4Å; A190-A239 VanDerWaalsContact O-CB 3.32Å; A190-A239 WeakPolarHBondContact O-CB 3.31Å; A190-L242 HydrophobicContact CB-CB 3.99Å; A190-V243 HydrophobicContact CB-CB 3.91Å; A190-L325 HydrophobicContact CB-CD2 3.87Å
191	W	92.5	Very high	89.5	Confident	21 Å²	21	14.9 Å²	14.9	8%	0.08	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-46.8	177.4	179.8	95.2	0	0	0	111.1	L187 Y188 L193 K194 E195 H312 M315 F316 L325	L187-W191 WeakPolarHBondContact O-CB 3.43Å; L187-W191 PolarHBondContact O-N 3.46Å; Y188-W191 PolarHBondContact O-N 2.95Å; W191-L193 VanDerWaalsContact C-N 3.34Å; W191-L193 PolarHBondContact O-N 2.97Å; W191-K194 WeakPolarHBondContact O-CB 3.34Å; W191-K194 PolarHBondContact O-N 3.47Å; W191-K194 VanDerWaalsContact O-N 3.15Å; W191-E195 HydrophobicContact CD2-CG 4.12Å; W191-E195 HydrophobicContact CE3-CG 4.21Å; W191-E195 HydrophobicContact CH2-CG 3.68Å; W191-E195 HydrophobicContact CZ2-CG 3.65Å; W191-E195 HydrophobicContact CZ3-CG 3.95Å; W191-E195 PolarHBondContact O-N 2.74Å; W191-H312 HydrophobicContact CH2-CB 3.68Å; W191-H312 WeakPolarHBondContact CH2-O 3.42Å; W191-H312 VanDerWaalsContact CZ3-C 3.44Å; W191-H312 HydrophobicContact CZ3-CB 3.67Å; W191-H312 WeakPolarHBondContact CZ3-O 3.47Å; W191-M315 HydrophobicContact CH2-CB 3.78Å; W191-M315 HydrophobicContact CZ2-CB 4.08Å; W191-F316 HydrophobicContact CB-CD2 3.7Å; W191-F316 HydrophobicContact CB-CE2 3.82Å; W191-F316 HydrophobicContact CD2-CB 4.49Å; W191-F316 AromaticContact CD2-CD2 3.88Å; W191-F316 HydrophobicContact CD2-CD2 3.88Å; W191-F316 HydrophobicContact CE3-CB 4.18Å; W191-F316 HydrophobicContact CE3-CD2 4.11Å; W191-F316 AromaticContact CG-CD2 3.69Å; W191-F316 HydrophobicContact CG-CD2 3.69Å; W191-F316 HydrophobicContact CG-CE2 4.17Å; W191-F316 HydrophobicContact CZ3-CB 4.45Å; W191-L325 HydrophobicContact CB-CD2 4.01Å
192	Y	92.4	Very high	90.2	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-44.3	177	167.7	-85.5	0	0	0	111.5	N85 Y188 R189 E195 R196 D305 F307 K313	N85-Y192 HydrophobicContact CB-CD1 4.33Å; N85-Y192 HydrophobicContact CB-CE1 3.78Å; N85-Y192 WeakPolarHBondContact O-CE1 3.46Å; Y188-Y192 WeakPolarHBondContact O-CB 3.47Å; Y188-Y192 PolarHBondContact O-N 3.36Å; R189-Y192 PolarHBondContact O-N 2.81Å; Y192-E195 PolarHBondContact O-N 3.44Å; Y192-R196 WeakPolarHBondContact O-CB 3.49Å; Y192-R196 PolarHBondContact O-N 3.39Å; Y192-D305 HydrophobicContact CE2-CB 4.09Å; Y192-D305 WeakPolarHBondContact CE2-O 3.22Å; Y192-D305 VanDerWaalsContact OH-CA 3.27Å; Y192-D305 WeakPolarHBondContact OH-CA 3.29Å; Y192-D305 WeakPolarHBondContact OH-CB 3.17Å; Y192-D305 PolarHBondContact OH-O 3.39Å; Y192-D305 PolarHBondContact OH-OD1 2.9Å; Y192-F307 AromaticContact CD2-CE1 3.99Å; Y192-F307 HydrophobicContact CD2-CE1 3.99Å; Y192-F307 HydrophobicContact CD2-CZ 4.5Å; Y192-F307 HydrophobicContact CE1-CE1 4.15Å; Y192-F307 HydrophobicContact CE2-CD1 4.07Å; Y192-F307 AromaticContact CE2-CE1 3.36Å; Y192-F307 HydrophobicContact CE2-CE1 3.36Å; Y192-F307 HydrophobicContact CE2-CZ 4.25Å; Y192-F307 AromaticContact CZ-CD1 3.97Å; Y192-F307 AromaticContact CZ-CE1 3.44Å; Y192-F307 VanDerWaalsContact CZ-CE1 3.44Å; Y192-K313 HydrophobicContact CD2-CG 4.12Å; Y192-K313 HydrophobicContact CE2-CG 4.28Å
193	L	94.5	Very high	90.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.1	-35.8	177	-76.4	167.1	0	0	0	112.3	N85 P87 R189 A190 W191 R196 G197 C235 R238 A239 L242	N85-L193 VanDerWaalsContact O-CD2 3.26Å; N85-L193 WeakPolarHBondContact O-CD2 3.13Å; P87-L193 HydrophobicContact CG-CD2 3.95Å; R189-L193 VanDerWaalsContact O-CB 3.31Å; R189-L193 WeakPolarHBondContact O-CB 3.29Å; R189-L193 WeakPolarHBondContact O-CD1 3.42Å; R189-L193 VanDerWaalsContact O-CG 3.26Å; R189-L193 WeakPolarHBondContact O-CG 3.29Å; R189-L193 PolarHBondContact O-N 2.79Å; A190-L193 PolarHBondContact O-N 3.36Å; W191-L193 VanDerWaalsContact C-N 3.34Å; W191-L193 PolarHBondContact O-N 2.97Å; L193-R196 PolarHBondContact O-N 3.41Å; L193-G197 PolarHBondContact O-N 2.86Å; L193-C235 WeakPolarHBondContact O-CB 3.35Å; L193-R238 HydrophobicContact CD1-CB 3.98Å; L193-R238 HydrophobicContact CD1-CG 3.53Å; L193-A239 HydrophobicContact CB-CB 3.74Å; L193-A239 HydrophobicContact CD1-CB 4.5Å; L193-L242 HydrophobicContact CD1-CD1 3.83Å
194	K	95.1	Very high	90.4	Very high	39 Å²	39	20.1 Å²	20.1	17%	0.17	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-47.7	171.1	178	-83.3	-160.6	179.9	0	110.3	A190 W191 G197 S198 Y236 L325 L329	A190-K194 WeakPolarHBondContact O-CB 3.5Å; A190-K194 PolarHBondContact O-N 3.27Å; W191-K194 WeakPolarHBondContact O-CB 3.34Å; W191-K194 PolarHBondContact O-N 3.47Å; W191-K194 VanDerWaalsContact O-N 3.15Å; K194-G197 PolarHBondContact O-N 3.37Å; K194-S198 WeakPolarHBondContact O-CB 3.41Å; K194-S198 PolarHBondContact O-N 3.07Å; K194-S198 PolarHBondContact O-OG 2.8Å; K194-Y236 WeakPolarHBondContact O-CE1 3.21Å; K194-L325 HydrophobicContact CB-CD1 4.22Å; K194-L325 HydrophobicContact CG-CD1 4.11Å; K194-L329 HydrophobicContact CB-CD2 3.86Å; K194-L329 HydrophobicContact CB-CG 4.48Å; K194-L329 HydrophobicContact CG-CD2 3.99Å; K194-L329 HydrophobicContact CG-CG 4.46Å
195	E	93	Very high	90.4	Very high	30 Å²	30	20.9 Å²	20.9	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-41.1	177.2	-65.6	-49.4	140	0	0	111.5	W191 Y192 G197 S198 W199 F307 H312	W191-E195 HydrophobicContact CD2-CG 4.12Å; W191-E195 HydrophobicContact CE3-CG 4.21Å; W191-E195 HydrophobicContact CH2-CG 3.68Å; W191-E195 HydrophobicContact CZ2-CG 3.65Å; W191-E195 HydrophobicContact CZ3-CG 3.95Å; W191-E195 PolarHBondContact O-N 2.74Å; Y192-E195 PolarHBondContact O-N 3.44Å; E195-G197 PolarHBondContact O-N 3.19Å; E195-S198 CarbonylContact O-C 3.56Å; E195-S198 WeakPolarHBondContact O-CB 3.47Å; E195-S198 PolarHBondContact O-N 3.13Å; E195-S198 VanDerWaalsContact O-N 3.09Å; E195-W199 WeakPolarHBondContact O-CB 3.39Å; E195-W199 PolarHBondContact O-N 3.34Å; E195-F307 HydrophobicContact CB-CE2 4.27Å; E195-F307 HydrophobicContact CB-CZ 3.99Å; E195-H312 HydrophobicContact CB-CB 4.29Å; E195-H312 HydrophobicContact CG-CB 4.49Å; E195-H312 IonicContact OE2-CE1 2.9Å; E195-H312 IonicContact OE2-ND1 3.87Å
196	R	91.9	Very high	90.1	Very high	2 Å²	2	27 Å²	27	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-58.8	-47.7	175.8	-171.4	176.1	175.9	77.8	11.7	111.9	C57 S86 D88 Y192 L193 S198 W199 L200 F307	C57-R196 PolarHBondContact O-NH2 2.84Å; S86-R196 VanDerWaalsContact OG-CZ 3.23Å; S86-R196 PolarHBondContact OG-NE 3.39Å; S86-R196 PolarHBondContact OG-NH2 3.27Å; D88-R196 IonicContact OD1-CZ 2.72Å; D88-R196 IonicContact OD1-NE 3.66Å; D88-R196 PolarHBondContact OD1-NE 3.04Å; D88-R196 IonicContact OD1-NH2 3.71Å; D88-R196 PolarHBondContact OD1-NH2 3.33Å; D88-R196 IonicContact OD2-CZ 2.66Å; D88-R196 IonicContact OD2-NE 3.43Å; D88-R196 PolarHBondContact OD2-NE 3.28Å; D88-R196 IonicContact OD2-NH2 3.56Å; D88-R196 PolarHBondContact OD2-NH2 3.43Å; Y192-R196 WeakPolarHBondContact O-CB 3.49Å; Y192-R196 PolarHBondContact O-N 3.39Å; L193-R196 PolarHBondContact O-N 3.41Å; R196-S198 VanDerWaalsContact C-N 3.29Å; R196-S198 PolarHBondContact O-N 2.98Å; R196-W199 PolarHBondContact O-N 3.48Å; R196-L200 VanDerWaalsContact O-CG 3.32Å; R196-L200 WeakPolarHBondContact O-CG 3.26Å; R196-L200 PolarHBondContact O-N 2.71Å; R196-F307 HydrophobicContact CB-CD1 4.2Å; R196-F307 HydrophobicContact CB-CE1 3.57Å; R196-F307 HydrophobicContact CB-CE2 4.21Å; R196-F307 HydrophobicContact CB-CZ 3.61Å; R196-F307 HydrophobicContact CG-CD1 4.05Å; R196-F307 HydrophobicContact CG-CE1 3.93Å; R196-F307 HydrophobicContact CG-CG 4.48Å; R196-F307 HydrophobicContact CG-CZ 4.32Å
197	G	93.8	Very high	89.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-39.1	174.7	0	0	0	0	0	112.4	L193 K194 E195 L200 V201 Y236	L193-G197 PolarHBondContact O-N 2.86Å; K194-G197 PolarHBondContact O-N 3.37Å; E195-G197 PolarHBondContact O-N 3.19Å; G197-L200 PolarHBondContact O-N 3.16Å; G197-V201 WeakPolarHBondContact O-CG2 3.28Å; G197-V201 PolarHBondContact O-N 3.24Å; G197-Y236 PolarHBondContact O-OH 3.42Å
198	S	93.5	Very high	88.4	Confident	16 Å²	16	26.2 Å²	26.2	11%	0.112	13%	0.127	C	C	.	.	H	α-helix	trans	-68.4	-42.9	179	-56.3	0	0	0	0	111.2	K194 E195 R196 V201 N202 Y236	K194-S198 WeakPolarHBondContact O-CB 3.41Å; K194-S198 PolarHBondContact O-N 3.07Å; K194-S198 PolarHBondContact O-OG 2.8Å; E195-S198 CarbonylContact O-C 3.56Å; E195-S198 WeakPolarHBondContact O-CB 3.47Å; E195-S198 PolarHBondContact O-N 3.13Å; E195-S198 VanDerWaalsContact O-N 3.09Å; R196-S198 VanDerWaalsContact C-N 3.29Å; R196-S198 PolarHBondContact O-N 2.98Å; S198-V201 PolarHBondContact O-N 2.86Å; S198-N202 VanDerWaalsContact O-CB 3.28Å; S198-N202 WeakPolarHBondContact O-CB 3.19Å; S198-N202 PolarHBondContact O-N 2.8Å; S198-N202 PolarHBondContact O-ND2 2.92Å; S198-Y236 WeakPolarHBondContact CA-OH 2.81Å; S198-Y236 PolarHBondContact N-OH 2.86Å; S198-Y236 VanDerWaalsContact N-OH 3.09Å; S198-Y236 PolarHBondContact OG-OH 3.28Å
199	W	90.7	Very high	87.6	Confident	30 Å²	30	30.3 Å²	30.3	11%	0.114	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-47.6	174.3	174.6	84.2	0	0	0	111.3	C58 E195 R196 V201 N202 H203 H204 F307 G308	C58-W199 HydrophobicContact CB-CH2 3.83Å; C58-W199 HydrophobicContact CB-CZ3 3.66Å; E195-W199 WeakPolarHBondContact O-CB 3.39Å; E195-W199 PolarHBondContact O-N 3.34Å; R196-W199 PolarHBondContact O-N 3.48Å; W199-V201 VanDerWaalsContact C-N 3.3Å; W199-V201 PolarHBondContact O-N 2.93Å; W199-N202 PolarHBondContact O-N 2.72Å; W199-H203 HydrophobicContact CD2-CB 4.47Å; W199-H203 HydrophobicContact CZ2-CB 4.48Å; W199-H203 WeakPolarHBondContact O-CB 3.49Å; W199-H203 PolarHBondContact O-N 3.31Å; W199-H204 AromaticContact CH2-NE2 3.99Å; W199-F307 HydrophobicContact CB-CD2 3.66Å; W199-F307 HydrophobicContact CB-CE2 3.8Å; W199-F307 HydrophobicContact CD2-CB 4.2Å; W199-F307 AromaticContact CD2-CD2 3.9Å; W199-F307 HydrophobicContact CD2-CD2 3.9Å; W199-F307 HydrophobicContact CD2-CG 4.44Å; W199-F307 HydrophobicContact CE3-CB 4.14Å; W199-F307 HydrophobicContact CE3-CD2 4.21Å; W199-F307 HydrophobicContact CE3-CG 4.43Å; W199-F307 AromaticContact CG-CD2 3.63Å; W199-F307 HydrophobicContact CG-CD2 3.63Å; W199-F307 HydrophobicContact CG-CE2 4.26Å; W199-F307 HydrophobicContact CZ3-CB 4.36Å; W199-G308 VanDerWaalsContact NE1-CA 3.27Å
200	L	89.7	Confident	86.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-45.4	177.2	-75.8	166.9	0	0	0	111.9	C58 D88 R196 G197 H204	C58-L200 HydrophobicContact CB-CD2 3.87Å; D88-L200 HydrophobicContact CB-CD1 4.13Å; R196-L200 VanDerWaalsContact O-CG 3.32Å; R196-L200 WeakPolarHBondContact O-CG 3.26Å; R196-L200 PolarHBondContact O-N 2.71Å; G197-L200 PolarHBondContact O-N 3.16Å; L200-H204 WeakPolarHBondContact O-CB 3.44Å; L200-H204 PolarHBondContact O-CD2 2.71Å; L200-H204 VanDerWaalsContact O-CD2 3.24Å; L200-H204 PolarHBondContact O-N 2.88Å
201	V	91.5	Very high	84.6	Confident	11 Å²	11	43.1 Å²	43.1	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-53.2	177.8	176.4	0	0	0	0	110.8	G197 S198 W199 H203 L205 I228 W229 A232	G197-V201 WeakPolarHBondContact O-CG2 3.28Å; G197-V201 PolarHBondContact O-N 3.24Å; S198-V201 PolarHBondContact O-N 2.86Å; W199-V201 VanDerWaalsContact C-N 3.3Å; W199-V201 PolarHBondContact O-N 2.93Å; V201-H203 PolarHBondContact O-N 3.34Å; V201-L205 WeakPolarHBondContact O-CB 3.29Å; V201-L205 PolarHBondContact O-N 3Å; V201-I228 HydrophobicContact CG2-CG2 4.24Å; V201-W229 HydrophobicContact CG1-CH2 3.79Å; V201-W229 HydrophobicContact CG1-CZ2 4.22Å; V201-W229 HydrophobicContact CG1-CZ3 4.21Å; V201-W229 HydrophobicContact CG2-CE3 4.26Å; V201-W229 HydrophobicContact CG2-CH2 4.4Å; V201-W229 HydrophobicContact CG2-CZ3 3.99Å; V201-A232 HydrophobicContact CG2-CB 3.48Å; V201-A232 VanDerWaalsContact CG2-CB 3.48Å
202	N	89.1	Confident	82.7	Confident	97 Å²	97	45 Å²	45	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-68.5	-38.8	-171	-71.2	-27.8	0	0	0	112.8	S198 W199 K206	S198-N202 VanDerWaalsContact O-CB 3.28Å; S198-N202 WeakPolarHBondContact O-CB 3.19Å; S198-N202 PolarHBondContact O-N 2.8Å; S198-N202 PolarHBondContact O-ND2 2.92Å; W199-N202 PolarHBondContact O-N 2.72Å; N202-K206 WeakPolarHBondContact O-CD 3.42Å; N202-K206 VanDerWaalsContact O-CG 3.25Å; N202-K206 WeakPolarHBondContact O-CG 3.14Å
203	H	84.8	Confident	81	Confident	60 Å²	60	52.7 Å²	52.7	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-71.7	-53.9	-179.6	-174	82	0	0	0	110.5	C68 W199 V201 K206 C207	C68-H203 PolarHBondContact SG-NE2 2.82Å; W199-H203 HydrophobicContact CD2-CB 4.47Å; W199-H203 HydrophobicContact CZ2-CB 4.48Å; W199-H203 WeakPolarHBondContact O-CB 3.49Å; W199-H203 PolarHBondContact O-N 3.31Å; V201-H203 PolarHBondContact O-N 3.34Å; H203-K206 WeakPolarHBondContact O-CB 3.48Å; H203-K206 PolarHBondContact O-N 3.4Å; H203-C207 PolarHBondContact O-N 3.31Å; H203-C207 PolarHBondContact O-SG 3.27Å; H203-C207 VanDerWaalsContact O-SG 3.4Å
204	H	83.5	Confident	79.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-80.8	-24.2	-172.3	-62.9	-69.5	0	0	0	114.1	C58 L60 W199 L200 K206 C207 L208 I228	C58-H204 VanDerWaalsContact SG-CE1 3.51Å; C58-H204 PolarHBondContact SG-NE2 2.82Å; L60-H204 HydrophobicContact CD1-CB 3.81Å; L60-H204 WeakPolarHBondContact CD1-CD2 3.26Å; W199-H204 AromaticContact CH2-NE2 3.99Å; L200-H204 WeakPolarHBondContact O-CB 3.44Å; L200-H204 PolarHBondContact O-CD2 2.71Å; L200-H204 VanDerWaalsContact O-CD2 3.24Å; L200-H204 PolarHBondContact O-N 2.88Å; H204-K206 VanDerWaalsContact C-N 3.28Å; H204-K206 PolarHBondContact O-N 2.75Å; H204-C207 WeakPolarHBondContact O-CB 3.42Å; H204-C207 PolarHBondContact O-N 3.19Å; H204-L208 PolarHBondContact O-N 2.91Å; H204-I228 HydrophobicContact CB-CD1 3.66Å; H204-I228 HydrophobicContact CB-CG1 3.75Å
205	L	83.6	Confident	76.9	Confident	64 Å²	64	60.3 Å²	60.3	34%	0.335	33%	0.331	S	S	.	.	H	α-helix	trans	-68	-31.6	172.8	-168.7	64	0	0	0	111.5	V201 L208 T209	V201-L205 WeakPolarHBondContact O-CB 3.29Å; V201-L205 PolarHBondContact O-N 3Å; L205-L208 HydrophobicContact CD1-CB 4.47Å; L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 WeakPolarHBondContact O-CB 3.26Å; L205-L208 PolarHBondContact O-N 3.1Å; L205-T209 PolarHBondContact O-N 3.45Å
206	K	78.8	Confident	74.9	Confident	143 Å²	143	66 Å²	66	62%	0.622	36%	0.363	S	S	*	.	H	α-helix	trans	-64.5	-45.5	170.7	-69.8	172.9	-175.4	-178.1	0	110.9	N202 H203 H204 L208 T209 L210	N202-K206 WeakPolarHBondContact O-CD 3.42Å; N202-K206 VanDerWaalsContact O-CG 3.25Å; N202-K206 WeakPolarHBondContact O-CG 3.14Å; H203-K206 WeakPolarHBondContact O-CB 3.48Å; H203-K206 PolarHBondContact O-N 3.4Å; H204-K206 VanDerWaalsContact C-N 3.28Å; H204-K206 PolarHBondContact O-N 2.75Å; K206-L208 VanDerWaalsContact C-N 3.25Å; K206-L208 PolarHBondContact O-N 3.48Å; K206-T209 PolarHBondContact O-N 2.93Å; K206-T209 PolarHBondContact O-OG1 3.17Å; K206-L210 PolarHBondContact O-N 2.89Å
207	C	70.8	Confident	73.2	Confident	20 Å²	20	67 Å²	67	14%	0.135	37%	0.373	C	S	.	.	H	α-helix	trans	-57	-40	174.2	-56.8	0	0	0	0	111.8	H203 H204 T209 L210 H211	H203-C207 PolarHBondContact O-N 3.31Å; H203-C207 PolarHBondContact O-SG 3.27Å; H203-C207 VanDerWaalsContact O-SG 3.4Å; H204-C207 WeakPolarHBondContact O-CB 3.42Å; H204-C207 PolarHBondContact O-N 3.19Å; C207-T209 PolarHBondContact O-N 2.87Å; C207-L210 PolarHBondContact O-N 3.24Å; C207-L210 VanDerWaalsContact O-N 3.17Å; C207-H211 PolarHBondContact O-CD2 2.87Å; C207-H211 PolarHBondContact O-N 3.33Å; C207-H211 VanDerWaalsContact O-N 3.1Å
208	L	73.7	Confident	71.3	Confident	10 Å²	10	75.8 Å²	75.8	5%	0.052	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-33.8	177	-161	67	0	0	0	113.2	H204 L205 K206 R221 L224 F225	H204-L208 PolarHBondContact O-N 2.91Å; L205-L208 HydrophobicContact CD1-CB 4.47Å; L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 WeakPolarHBondContact O-CB 3.26Å; L205-L208 PolarHBondContact O-N 3.1Å; K206-L208 VanDerWaalsContact C-N 3.25Å; K206-L208 PolarHBondContact O-N 3.48Å; L208-R221 HydrophobicContact CD1-CB 4.13Å; L208-R221 HydrophobicContact CD1-CG 3.61Å; L208-R221 HydrophobicContact CD2-CG 4.36Å; L208-R221 HydrophobicContact CG-CG 4.08Å; L208-L224 HydrophobicContact CD1-CB 4.23Å; L208-L224 HydrophobicContact CD1-CD2 3.58Å; L208-L224 HydrophobicContact CD1-CG 3.86Å; L208-F225 HydrophobicContact CD2-CB 4.26Å; L208-F225 HydrophobicContact CD2-CD2 4Å
209	T	70.2	Confident	69.5	Low	88 Å²	88	81.1 Å²	81.1	54%	0.54	43%	0.434	S	S	.	.	H	α-helix	trans	-75.7	-34.2	177.6	59.9	0	0	0	0	112.6	L205 K206 C207 S212	L205-T209 PolarHBondContact O-N 3.45Å; K206-T209 PolarHBondContact O-N 2.93Å; K206-T209 PolarHBondContact O-OG1 3.17Å; C207-T209 PolarHBondContact O-N 2.87Å; T209-S212 WeakPolarHBondContact O-CB 3.31Å
210	L	65.4	Low	68.5	Low	137 Å²	137	84.1 Å²	84.1	72%	0.717	45%	0.452	S	S	*	.	H	α-helix	trans	-74.6	-34.2	-179.3	-66.2	170.6	0	0	0	112.8	K206 C207 S212	K206-L210 PolarHBondContact O-N 2.89Å; C207-L210 PolarHBondContact O-N 3.24Å; C207-L210 VanDerWaalsContact O-N 3.17Å; L210-S212 PolarHBondContact O-N 3.47Å
211	H	58	Low	67.7	Low	137 Å²	137	88.9 Å²	88.9	63%	0.634	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-83.1	12.3	179.1	-69.5	-67.9	0	0	0	114.3	C207 D213	C207-H211 PolarHBondContact O-CD2 2.87Å; C207-H211 PolarHBondContact O-N 3.33Å; C207-H211 VanDerWaalsContact O-N 3.1Å; H211-D213 PolarHBondContact O-N 3.45Å
212	S	53.7	Low	67.1	Low	61 Å²	61	93.1 Å²	93.1	43%	0.427	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-65.4	-19.2	-172.7	-170.2	0	0	0	0	115	T209 L210 R221	T209-S212 WeakPolarHBondContact O-CB 3.31Å; L210-S212 PolarHBondContact O-N 3.47Å; S212-R221 PolarHBondContact OG-NH1 3.2Å
213	D	55.4	Low	66.6	Low	162 Å²	162	92.9 Å²	92.9	87%	0.866	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-91.6	-5.5	-169.9	-72.9	-13.8	0	0	0	115	H211	H211-D213 PolarHBondContact O-N 3.45Å
214	S	54.6	Low	66.3	Low	86 Å²	86	90.6 Å²	90.6	60%	0.601	48%	0.475	S	S	*	.			trans	-93	109.1	-179.9	-135.9	0	0	0	0	111.4	N216 G217	S214-N216 PolarHBondContact O-N 2.95Å; S214-N216 VanDerWaalsContact O-N 3.16Å; S214-G217 PolarHBondContact O-N 3.04Å
215	S	49.3	Very low	66.4	Low	113 Å²	113	93.7 Å²	93.7	79%	0.79	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-58.3	-27.4	-173.5	55.9	0	0	0	0	114.9	G217	S215-G217 PolarHBondContact O-N 2.69Å
216	N	51.4	Low	66.5	Low	150 Å²	150	97.1 Å²	97.1	80%	0.802	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-73.8	-8.9	174.4	-78.4	-11.2	0	0	0	113.5	S214	S214-N216 PolarHBondContact O-N 2.95Å; S214-N216 VanDerWaalsContact O-N 3.16Å
217	G	54.6	Low	66.7	Low	22 Å²	22	91.1 Å²	91.1	23%	0.227	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-89.9	-2.6	-170.7	0	0	0	0	0	116.3	S214 S215 N219 N220 R221	S214-G217 PolarHBondContact O-N 3.04Å; S215-G217 PolarHBondContact O-N 2.69Å; G217-N219 PolarHBondContact O-N 2.99Å; G217-N220 PolarHBondContact O-N 2.68Å; G217-R221 WeakPolarHBondContact O-CB 3.32Å; G217-R221 PolarHBondContact O-N 2.8Å
218	R	55.3	Low	67.6	Low	184 Å²	184	90.1 Å²	90.1	69%	0.694	47%	0.467	S	S	*	.	H	α-helix	trans	-62.4	-45	-172.7	-171.7	175.2	177.9	167.3	0.7	113.1	N220 R221 E222	R218-N220 VanDerWaalsContact C-N 3.32Å; R218-N220 PolarHBondContact O-N 2.95Å; R218-R221 PolarHBondContact O-N 2.9Å; R218-E222 IonicContact NE-OE1 2.66Å; R218-E222 PolarHBondContact O-N 2.82Å
219	N	55.5	Low	68.4	Low	129 Å²	129	90 Å²	90	69%	0.69	47%	0.466	S	S	*	.	H	α-helix	trans	-62.8	-42.9	176.4	-70.5	-8.7	0	0	0	110.8	G217 R221 E222 E223	G217-N219 PolarHBondContact O-N 2.99Å; N219-R221 VanDerWaalsContact C-N 3.28Å; N219-R221 PolarHBondContact O-N 3.29Å; N219-E222 PolarHBondContact O-N 3.13Å; N219-E223 PolarHBondContact O-N 3.41Å
220	N	68.5	Low	69.4	Low	92 Å²	92	88.6 Å²	88.6	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-65	-33.5	178.6	-62.5	4.4	0	0	0	111.6	F64 G217 R218 L224	F64-N220 HydrophobicContact CE1-CB 4.4Å; F64-N220 WeakPolarHBondContact CE1-O 3.33Å; G217-N220 PolarHBondContact O-N 2.68Å; R218-N220 VanDerWaalsContact C-N 3.32Å; R218-N220 PolarHBondContact O-N 2.95Å; N220-L224 WeakPolarHBondContact O-CB 3.42Å; N220-L224 PolarHBondContact O-N 2.86Å
221	R	74.6	Confident	70.5	Confident	101 Å²	101	82.3 Å²	82.3	38%	0.381	43%	0.427	S	S	.	.	H	α-helix	trans	-68.6	-45.2	179.1	169.4	159.2	-172.3	175.8	4.8	112.8	L208 S212 G217 R218 N219 E223 F225	L208-R221 HydrophobicContact CD1-CB 4.13Å; L208-R221 HydrophobicContact CD1-CG 3.61Å; L208-R221 HydrophobicContact CD2-CG 4.36Å; L208-R221 HydrophobicContact CG-CG 4.08Å; S212-R221 PolarHBondContact OG-NH1 3.2Å; G217-R221 WeakPolarHBondContact O-CB 3.32Å; G217-R221 PolarHBondContact O-N 2.8Å; R218-R221 PolarHBondContact O-N 2.9Å; N219-R221 VanDerWaalsContact C-N 3.28Å; N219-R221 PolarHBondContact O-N 3.29Å; R221-E223 VanDerWaalsContact C-N 3.33Å; R221-F225 VanDerWaalsContact O-CB 3.27Å; R221-F225 WeakPolarHBondContact O-CB 3.33Å; R221-F225 PolarHBondContact O-N 3.43Å
222	E	77.9	Confident	72.2	Confident	99 Å²	99	75.8 Å²	75.8	46%	0.463	40%	0.397	S	S	.	.	H	α-helix	trans	-66.8	-37.2	177.7	-71	-177.1	-165.5	0	0	111.6	R218 N219 K226	R218-E222 IonicContact NE-OE1 2.66Å; R218-E222 PolarHBondContact O-N 2.82Å; N219-E222 PolarHBondContact O-N 3.13Å; E222-K226 WeakPolarHBondContact O-CG 3.43Å; E222-K226 PolarHBondContact O-N 3.32Å; E222-K226 VanDerWaalsContact O-N 3.08Å
223	E	78.6	Confident	74.1	Confident	93 Å²	93	76.6 Å²	76.6	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-68.1	-46.9	174.8	-168.4	169.7	-172.2	0	0	111.8	F64 N219 R221 F225 K226 Y227	F64-E223 HydrophobicContact CZ-CB 4.33Å; F64-E223 HydrophobicContact CZ-CG 4.22Å; N219-E223 PolarHBondContact O-N 3.41Å; R221-E223 VanDerWaalsContact C-N 3.33Å; E223-F225 VanDerWaalsContact C-N 3.3Å; E223-F225 PolarHBondContact O-N 3.41Å; E223-K226 PolarHBondContact O-N 2.89Å; E223-Y227 WeakPolarHBondContact O-CB 3.35Å; E223-Y227 PolarHBondContact O-N 3.39Å
224	L	79.7	Confident	75.9	Confident	12 Å²	12	69.1 Å²	69.1	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-56.5	-44.7	174.1	175.5	52.5	0	0	0	111.2	L60 F64 I66 L208 N220 K226 Y227 I228	L60-L224 HydrophobicContact CD1-CD1 4.27Å; L60-L224 HydrophobicContact CD2-CD1 3.35Å; L60-L224 HydrophobicContact CG-CD1 4.36Å; F64-L224 HydrophobicContact CD1-CB 4.01Å; F64-L224 HydrophobicContact CD1-CD1 4.4Å; F64-L224 HydrophobicContact CD1-CD2 4.36Å; F64-L224 HydrophobicContact CD1-CG 4.49Å; F64-L224 HydrophobicContact CD2-CB 4.41Å; F64-L224 HydrophobicContact CD2-CD1 3.61Å; F64-L224 HydrophobicContact CD2-CG 4.49Å; F64-L224 HydrophobicContact CE1-CB 3.66Å; F64-L224 HydrophobicContact CE2-CB 4.07Å; F64-L224 HydrophobicContact CE2-CD1 3.82Å; F64-L224 HydrophobicContact CG-CB 4.37Å; F64-L224 HydrophobicContact CG-CD1 3.91Å; F64-L224 HydrophobicContact CG-CD2 4.37Å; F64-L224 HydrophobicContact CG-CG 4.45Å; F64-L224 VanDerWaalsContact CZ-CA 3.44Å; F64-L224 HydrophobicContact CZ-CB 3.68Å; F64-L224 HydrophobicContact CZ-CD1 4.33Å; I66-L224 HydrophobicContact CD1-CD1 4.14Å; I66-L224 HydrophobicContact CD1-CD2 4.27Å; L208-L224 HydrophobicContact CD1-CB 4.23Å; L208-L224 HydrophobicContact CD1-CD2 3.58Å; L208-L224 HydrophobicContact CD1-CG 3.86Å; N220-L224 WeakPolarHBondContact O-CB 3.42Å; N220-L224 PolarHBondContact O-N 2.86Å; L224-K226 PolarHBondContact O-N 2.71Å; L224-Y227 WeakPolarHBondContact O-CB 3.22Å; L224-Y227 PolarHBondContact O-N 2.96Å; L224-I228 HydrophobicContact CD1-CD1 3.86Å; L224-I228 HydrophobicContact CD1-CG1 3.97Å; L224-I228 HydrophobicContact CG-CD1 3.93Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.42Å; L224-I228 PolarHBondContact O-N 3Å
225	F	85.5	Confident	77.8	Confident	64 Å²	64	65 Å²	65	28%	0.281	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-50.7	176.4	-179	-91.6	0	0	0	111.6	L208 R221 E223 Y227 I228 W229 K339	L208-F225 HydrophobicContact CD2-CB 4.26Å; L208-F225 HydrophobicContact CD2-CD2 4Å; R221-F225 VanDerWaalsContact O-CB 3.27Å; R221-F225 WeakPolarHBondContact O-CB 3.33Å; R221-F225 PolarHBondContact O-N 3.43Å; E223-F225 VanDerWaalsContact C-N 3.3Å; E223-F225 PolarHBondContact O-N 3.41Å; F225-Y227 PolarHBondContact O-N 3.38Å; F225-I228 PolarHBondContact O-N 2.84Å; F225-W229 AromaticContact CD1-CD1 3.78Å; F225-W229 AromaticContact CD2-NE1 3.69Å; F225-W229 AromaticContact CE1-CD1 3.48Å; F225-W229 VanDerWaalsContact CE1-CD1 3.48Å; F225-W229 AromaticContact CE1-NE1 3.63Å; F225-W229 AromaticContact CE2-CD1 3.79Å; F225-W229 AromaticContact CE2-NE1 3.13Å; F225-W229 AromaticContact CZ-CD1 3.5Å; F225-W229 AromaticContact CZ-NE1 3.1Å; F225-W229 PolarHBondContact O-N 2.84Å; F225-K339 HydrophobicContact CZ-CB 4.26Å; F225-K339 HydrophobicContact CZ-CD 4.18Å
226	K	84.9	Confident	80.1	Confident	136 Å²	136	60.1 Å²	60.1	59%	0.591	29%	0.289	S	S	*	.	H	α-helix	trans	-58.3	-38.8	176.8	-73.7	172	-177.7	170.6	0	111.4	E222 E223 L224 S230	E222-K226 WeakPolarHBondContact O-CG 3.43Å; E222-K226 PolarHBondContact O-N 3.32Å; E222-K226 VanDerWaalsContact O-N 3.08Å; E223-K226 PolarHBondContact O-N 2.89Å; L224-K226 PolarHBondContact O-N 2.71Å; K226-S230 WeakPolarHBondContact O-CB 3.35Å; K226-S230 PolarHBondContact O-N 2.83Å; K226-S230 PolarHBondContact O-OG 2.8Å
227	Y	82.9	Confident	82.2	Confident	17 Å²	17	54.2 Å²	54.2	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-43.9	-178.7	-157.6	-76.6	0	0	0	113.6	P59 L60 L63 F64 F92 E223 L224 F225 W229 S230 S231	P59-Y227 HydrophobicContact CB-CE1 3.67Å; P59-Y227 VanDerWaalsContact CB-OH 3.29Å; P59-Y227 WeakPolarHBondContact CB-OH 3.29Å; P59-Y227 HydrophobicContact CG-CE1 3.72Å; L60-Y227 HydrophobicContact CD1-CD1 4.32Å; L60-Y227 HydrophobicContact CD2-CD1 3.04Å; L60-Y227 HydrophobicContact CD2-CE1 3.74Å; L60-Y227 HydrophobicContact CD2-CG 3.56Å; L60-Y227 HydrophobicContact CG-CD1 3.52Å; L60-Y227 HydrophobicContact CG-CE1 3.88Å; L60-Y227 HydrophobicContact CG-CG 4.48Å; L63-Y227 HydrophobicContact CD1-CD2 3.69Å; L63-Y227 HydrophobicContact CD1-CE1 4.07Å; L63-Y227 HydrophobicContact CD1-CE2 2.93Å; L63-Y227 HydrophobicContact CD1-CG 4.48Å; L63-Y227 VanDerWaalsContact CD1-OH 3.3Å; L63-Y227 WeakPolarHBondContact CD1-OH 3.47Å; L63-Y227 HydrophobicContact CG-CE2 4.43Å; F64-Y227 HydrophobicContact CE2-CG 4.36Å; F92-Y227 AromaticContact CD2-CE2 3.85Å; F92-Y227 HydrophobicContact CD2-CE2 3.85Å; F92-Y227 AromaticContact CD2-CZ 3.9Å; F92-Y227 WeakPolarHBondContact CD2-OH 3.1Å; F92-Y227 HydrophobicContact CE1-CE2 4.49Å; F92-Y227 AromaticContact CE2-CD2 3.8Å; F92-Y227 HydrophobicContact CE2-CD2 3.8Å; F92-Y227 AromaticContact CE2-CE2 2.93Å; F92-Y227 HydrophobicContact CE2-CE2 2.93Å; F92-Y227 AromaticContact CE2-CZ 3.44Å; F92-Y227 VanDerWaalsContact CE2-CZ 3.44Å; F92-Y227 WeakPolarHBondContact CE2-OH 3.42Å; F92-Y227 HydrophobicContact CZ-CD2 4.03Å; F92-Y227 AromaticContact CZ-CE2 3.33Å; F92-Y227 HydrophobicContact CZ-CE2 3.33Å; E223-Y227 WeakPolarHBondContact O-CB 3.35Å; E223-Y227 PolarHBondContact O-N 3.39Å; L224-Y227 WeakPolarHBondContact O-CB 3.22Å; L224-Y227 PolarHBondContact O-N 2.96Å; F225-Y227 PolarHBondContact O-N 3.38Å; Y227-W229 VanDerWaalsContact C-N 3.31Å; Y227-W229 PolarHBondContact O-N 3.1Å; Y227-S230 WeakPolarHBondContact CA-OG 3.39Å; Y227-S230 PolarHBondContact O-N 3.33Å; Y227-S230 PolarHBondContact O-OG 3.03Å; Y227-S231 VanDerWaalsContact CD1-OG 3.31Å; Y227-S231 WeakPolarHBondContact CD1-OG 3.14Å; Y227-S231 VanDerWaalsContact CE1-OG 3.29Å; Y227-S231 WeakPolarHBondContact CE1-OG 3.15Å; Y227-S231 WeakPolarHBondContact O-CB 3.22Å; Y227-S231 PolarHBondContact O-N 3.45Å; Y227-S231 PolarHBondContact O-OG 3.17Å
228	I	89.1	Confident	84.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-49.4	176.8	-68.7	162.2	0	0	0	109.2	L60 V201 H204 L224 F225 S231 A232	L60-I228 HydrophobicContact CD1-CG1 3.59Å; V201-I228 HydrophobicContact CG2-CG2 4.24Å; H204-I228 HydrophobicContact CB-CD1 3.66Å; H204-I228 HydrophobicContact CB-CG1 3.75Å; L224-I228 HydrophobicContact CD1-CD1 3.86Å; L224-I228 HydrophobicContact CD1-CG1 3.97Å; L224-I228 HydrophobicContact CG-CD1 3.93Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.42Å; L224-I228 PolarHBondContact O-N 3Å; F225-I228 PolarHBondContact O-N 2.84Å; I228-S231 PolarHBondContact O-N 2.99Å; I228-A232 VanDerWaalsContact O-CB 3.32Å; I228-A232 WeakPolarHBondContact O-CB 2.81Å; I228-A232 PolarHBondContact O-N 2.93Å
229	W	92.2	Very high	86.2	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.027	23%	0.226	C	C	.	.	H	α-helix	trans	-70.6	-34.3	-178.4	-68	110.4	0	0	0	113.4	V201 F225 Y227 F233 L335 C336 K339 V340	V201-W229 HydrophobicContact CG1-CH2 3.79Å; V201-W229 HydrophobicContact CG1-CZ2 4.22Å; V201-W229 HydrophobicContact CG1-CZ3 4.21Å; V201-W229 HydrophobicContact CG2-CE3 4.26Å; V201-W229 HydrophobicContact CG2-CH2 4.4Å; V201-W229 HydrophobicContact CG2-CZ3 3.99Å; F225-W229 AromaticContact CD1-CD1 3.78Å; F225-W229 AromaticContact CD2-NE1 3.69Å; F225-W229 AromaticContact CE1-CD1 3.48Å; F225-W229 VanDerWaalsContact CE1-CD1 3.48Å; F225-W229 AromaticContact CE1-NE1 3.63Å; F225-W229 AromaticContact CE2-CD1 3.79Å; F225-W229 AromaticContact CE2-NE1 3.13Å; F225-W229 AromaticContact CZ-CD1 3.5Å; F225-W229 AromaticContact CZ-NE1 3.1Å; F225-W229 PolarHBondContact O-N 2.84Å; Y227-W229 VanDerWaalsContact C-N 3.31Å; Y227-W229 PolarHBondContact O-N 3.1Å; W229-F233 WeakPolarHBondContact O-CB 3.39Å; W229-F233 PolarHBondContact O-N 2.9Å; W229-L335 HydrophobicContact CH2-CD1 4.46Å; W229-L335 HydrophobicContact CH2-CD2 3.87Å; W229-L335 HydrophobicContact CH2-CG 3.9Å; W229-L335 HydrophobicContact CZ3-CD2 3.86Å; W229-L335 HydrophobicContact CZ3-CG 3.74Å; W229-C336 HydrophobicContact CE3-CB 4.25Å; W229-K339 HydrophobicContact CD2-CB 3.61Å; W229-K339 HydrophobicContact CD2-CG 3.81Å; W229-K339 HydrophobicContact CE3-CB 4.12Å; W229-K339 HydrophobicContact CE3-CG 4.04Å; W229-K339 HydrophobicContact CG-CB 3.83Å; W229-K339 HydrophobicContact CH2-CD 4.21Å; W229-K339 HydrophobicContact CH2-CG 3.75Å; W229-K339 HydrophobicContact CZ2-CB 4.17Å; W229-K339 HydrophobicContact CZ2-CD 3.64Å; W229-K339 HydrophobicContact CZ2-CG 3.49Å; W229-K339 VanDerWaalsContact CZ2-CG 3.49Å; W229-K339 HydrophobicContact CZ3-CG 4Å; W229-V340 HydrophobicContact CB-CG2 4.1Å
230	S	89.5	Confident	88.1	Confident	58 Å²	58	42.2 Å²	42.2	41%	0.406	20%	0.2	S	C	.	.	H	α-helix	trans	-68	-40.4	174.6	62.2	0	0	0	0	112.2	K226 Y227 F233 A234	K226-S230 WeakPolarHBondContact O-CB 3.35Å; K226-S230 PolarHBondContact O-N 2.83Å; K226-S230 PolarHBondContact O-OG 2.8Å; Y227-S230 WeakPolarHBondContact CA-OG 3.39Å; Y227-S230 PolarHBondContact O-N 3.33Å; Y227-S230 PolarHBondContact O-OG 3.03Å; S230-F233 PolarHBondContact O-N 3.25Å; S230-A234 PolarHBondContact O-N 3.47Å
231	S	89.1	Confident	89.4	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-45.2	178.2	-55	0	0	0	0	110.9	Y227 I228 F233 A234 C235	Y227-S231 VanDerWaalsContact CD1-OG 3.31Å; Y227-S231 WeakPolarHBondContact CD1-OG 3.14Å; Y227-S231 VanDerWaalsContact CE1-OG 3.29Å; Y227-S231 WeakPolarHBondContact CE1-OG 3.15Å; Y227-S231 WeakPolarHBondContact O-CB 3.22Å; Y227-S231 PolarHBondContact O-N 3.45Å; Y227-S231 PolarHBondContact O-OG 3.17Å; I228-S231 PolarHBondContact O-N 2.99Å; S231-F233 VanDerWaalsContact C-N 3.33Å; S231-F233 PolarHBondContact O-N 2.63Å; S231-A234 PolarHBondContact O-N 3.24Å; S231-C235 PolarHBondContact O-N 3.22Å
232	A	93.5	Very high	90.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-41.4	174.6	0	0	0	0	0	111.8	V201 I228 A234 C235 Y236	V201-A232 HydrophobicContact CG2-CB 3.48Å; V201-A232 VanDerWaalsContact CG2-CB 3.48Å; I228-A232 VanDerWaalsContact O-CB 3.32Å; I228-A232 WeakPolarHBondContact O-CB 2.81Å; I228-A232 PolarHBondContact O-N 2.93Å; A232-A234 PolarHBondContact O-N 2.88Å; A232-C235 PolarHBondContact O-N 3.2Å; A232-Y236 HydrophobicContact CB-CD2 4.2Å; A232-Y236 HydrophobicContact CB-CE2 3.77Å; A232-Y236 WeakPolarHBondContact O-CD2 2.9Å; A232-Y236 VanDerWaalsContact O-CG 3.29Å; A232-Y236 PolarHBondContact O-N 2.78Å
233	F	94.9	Very high	91	Very high	78 Å²	78	33.4 Å²	33.4	34%	0.342	16%	0.16	S	C	.	.	H	α-helix	trans	-60.4	-42.3	175.4	-179.5	-90.2	0	0	0	112.2	W229 S230 S231 C235 Y236 S237 V333 C336 Q337	W229-F233 WeakPolarHBondContact O-CB 3.39Å; W229-F233 PolarHBondContact O-N 2.9Å; S230-F233 PolarHBondContact O-N 3.25Å; S231-F233 VanDerWaalsContact C-N 3.33Å; S231-F233 PolarHBondContact O-N 2.63Å; F233-C235 VanDerWaalsContact C-N 3.32Å; F233-C235 PolarHBondContact O-N 3.49Å; F233-Y236 PolarHBondContact O-N 2.7Å; F233-S237 WeakPolarHBondContact O-CB 2.95Å; F233-S237 PolarHBondContact O-N 3.21Å; F233-S237 PolarHBondContact O-OG 3.11Å; F233-V333 HydrophobicContact CD2-CG1 4.2Å; F233-V333 HydrophobicContact CE2-CG1 3.7Å; F233-C336 HydrophobicContact CB-CB 4.01Å; F233-C336 HydrophobicContact CD2-CB 3.95Å; F233-C336 HydrophobicContact CG-CB 4.48Å; F233-Q337 HydrophobicContact CE2-CG 4.1Å
234	A	92.5	Very high	91.6	Very high	5 Å²	5	30.4 Å²	30.4	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-44.2	176.1	0	0	0	0	0	111.5	P87 S230 S231 A232 S237 R238	P87-A234 HydrophobicContact CB-CB 4.45Å; S230-A234 PolarHBondContact O-N 3.47Å; S231-A234 PolarHBondContact O-N 3.24Å; A232-A234 PolarHBondContact O-N 2.88Å; A234-S237 PolarHBondContact O-OG 3.29Å; A234-R238 WeakPolarHBondContact O-CB 2.99Å; A234-R238 PolarHBondContact O-N 2.94Å
235	C	94.5	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-52	175.8	-65.6	0	0	0	0	112.3	L193 S231 A232 F233 S237 R238 A239	L193-C235 WeakPolarHBondContact O-CB 3.35Å; S231-C235 PolarHBondContact O-N 3.22Å; A232-C235 PolarHBondContact O-N 3.2Å; F233-C235 VanDerWaalsContact C-N 3.32Å; F233-C235 PolarHBondContact O-N 3.49Å; C235-S237 PolarHBondContact O-N 2.81Å; C235-R238 PolarHBondContact O-N 3.46Å; C235-A239 WeakPolarHBondContact O-CB 2.94Å; C235-A239 PolarHBondContact O-N 3.41Å
236	Y	97.8	Very high	92.2	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-37.3	-177	-62.2	-45.9	0	0	0	113.3	K194 G197 S198 A232 F233 A239 L240 L329 N332 C336	K194-Y236 WeakPolarHBondContact O-CE1 3.21Å; G197-Y236 PolarHBondContact O-OH 3.42Å; S198-Y236 WeakPolarHBondContact CA-OH 2.81Å; S198-Y236 PolarHBondContact N-OH 2.86Å; S198-Y236 VanDerWaalsContact N-OH 3.09Å; S198-Y236 PolarHBondContact OG-OH 3.28Å; A232-Y236 HydrophobicContact CB-CD2 4.2Å; A232-Y236 HydrophobicContact CB-CE2 3.77Å; A232-Y236 WeakPolarHBondContact O-CD2 2.9Å; A232-Y236 VanDerWaalsContact O-CG 3.29Å; A232-Y236 PolarHBondContact O-N 2.78Å; F233-Y236 PolarHBondContact O-N 2.7Å; Y236-A239 PolarHBondContact O-N 3.18Å; Y236-L240 VanDerWaalsContact O-CB 3.31Å; Y236-L240 WeakPolarHBondContact O-CB 3.2Å; Y236-L240 PolarHBondContact O-N 2.9Å; Y236-L329 HydrophobicContact CD1-CD2 3.87Å; Y236-L329 HydrophobicContact CG-CD2 4.44Å; Y236-N332 HydrophobicContact CD1-CB 3.98Å; Y236-N332 HydrophobicContact CD2-CB 3.89Å; Y236-N332 HydrophobicContact CE1-CB 4.02Å; Y236-N332 HydrophobicContact CE2-CB 3.94Å; Y236-N332 HydrophobicContact CG-CB 3.91Å; Y236-C336 VanDerWaalsContact CD2-SG 3.54Å
237	S	95.9	Very high	92.3	Very high	27 Å²	27	24.2 Å²	24.2	19%	0.189	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-40.3	177.5	58.9	0	0	0	0	111.5	F233 A234 C235 L240 Q241	F233-S237 WeakPolarHBondContact O-CB 2.95Å; F233-S237 PolarHBondContact O-N 3.21Å; F233-S237 PolarHBondContact O-OG 3.11Å; A234-S237 PolarHBondContact O-OG 3.29Å; C235-S237 PolarHBondContact O-N 2.81Å; S237-L240 PolarHBondContact O-N 3.38Å; S237-Q241 WeakPolarHBondContact O-CG 3.25Å; S237-Q241 PolarHBondContact O-N 3.18Å; S237-Q241 VanDerWaalsContact O-N 3.07Å
238	R	95.7	Very high	92.3	Very high	56 Å²	56	27.8 Å²	27.8	21%	0.211	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-42.8	173	-176.4	61.5	-176.5	146.2	0.5	111.6	D34 P87 L193 A234 C235 L240 Q241 L242	D34-R238 IonicContact OD1-NH2 2.71Å; D34-R238 IonicContact OD2-CZ 2.78Å; D34-R238 IonicContact OD2-NH2 3.33Å; D34-R238 PolarHBondContact OD2-NH2 2.82Å; P87-R238 HydrophobicContact CG-CB 4.12Å; P87-R238 HydrophobicContact CG-CG 4.46Å; L193-R238 HydrophobicContact CD1-CB 3.98Å; L193-R238 HydrophobicContact CD1-CG 3.53Å; A234-R238 WeakPolarHBondContact O-CB 2.99Å; A234-R238 PolarHBondContact O-N 2.94Å; C235-R238 PolarHBondContact O-N 3.46Å; R238-L240 VanDerWaalsContact C-N 3.31Å; R238-L240 PolarHBondContact O-N 3.07Å; R238-Q241 PolarHBondContact O-N 3.31Å; R238-L242 HydrophobicContact CG-CD1 4.44Å; R238-L242 WeakPolarHBondContact O-CG 3.33Å; R238-L242 PolarHBondContact O-N 2.84Å; R238-L242 VanDerWaalsContact O-N 3.17Å
239	A	96.6	Very high	91.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-42.8	174.4	0	0	0	0	0	111.8	A190 L193 C235 Y236 Q241 L242 V243 L329	A190-A239 HydrophobicContact CB-CB 4.27Å; A190-A239 WeakPolarHBondContact CB-O 3.4Å; A190-A239 VanDerWaalsContact O-CB 3.32Å; A190-A239 WeakPolarHBondContact O-CB 3.31Å; L193-A239 HydrophobicContact CB-CB 3.74Å; L193-A239 HydrophobicContact CD1-CB 4.5Å; C235-A239 WeakPolarHBondContact O-CB 2.94Å; C235-A239 PolarHBondContact O-N 3.41Å; Y236-A239 PolarHBondContact O-N 3.18Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3.47Å; A239-L242 PolarHBondContact O-N 3.42Å; A239-V243 PolarHBondContact O-N 3.26Å; A239-L329 HydrophobicContact CB-CD1 3.6Å; A239-L329 HydrophobicContact CB-CD2 3.55Å; A239-L329 HydrophobicContact CB-CG 4.24Å
240	L	96.7	Very high	91.2	Very high	27 Å²	27	31.6 Å²	31.6	14%	0.141	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-42.5	179.3	-178.7	59.2	0	0	0	111.2	Y236 S237 R238 L242 V243 S244 M326 L329 L330 V333	Y236-L240 VanDerWaalsContact O-CB 3.31Å; Y236-L240 WeakPolarHBondContact O-CB 3.2Å; Y236-L240 PolarHBondContact O-N 2.9Å; S237-L240 PolarHBondContact O-N 3.38Å; R238-L240 VanDerWaalsContact C-N 3.31Å; R238-L240 PolarHBondContact O-N 3.07Å; L240-L242 PolarHBondContact O-N 2.86Å; L240-V243 HydrophobicContact CD1-CG1 4.19Å; L240-V243 WeakPolarHBondContact O-CG1 3.3Å; L240-S244 VanDerWaalsContact O-CB 3.3Å; L240-S244 WeakPolarHBondContact O-CB 3.37Å; L240-S244 PolarHBondContact O-N 3.2Å; L240-S244 PolarHBondContact O-OG 3.36Å; L240-M326 HydrophobicContact CD1-CG 3.88Å; L240-L329 HydrophobicContact CB-CB 4.32Å; L240-L329 HydrophobicContact CD1-CB 4.12Å; L240-L330 HydrophobicContact CD1-CD2 4.16Å; L240-L330 HydrophobicContact CD1-CG 3.91Å; L240-L330 HydrophobicContact CD2-CD2 3.73Å; L240-L330 HydrophobicContact CD2-CG 4.3Å; L240-V333 HydrophobicContact CD2-CG2 4.26Å
241	Q	94.8	Very high	90.5	Very high	105 Å²	105	33.2 Å²	33.2	49%	0.491	16%	0.157	S	C	.	.	H	α-helix	trans	-58.9	-47.2	174.8	-69.3	169	-2.8	0	0	111.8	S237 R238 A239 S244 L245	S237-Q241 WeakPolarHBondContact O-CG 3.25Å; S237-Q241 PolarHBondContact O-N 3.18Å; S237-Q241 VanDerWaalsContact O-N 3.07Å; R238-Q241 PolarHBondContact O-N 3.31Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3.47Å; Q241-S244 PolarHBondContact O-N 3.44Å; Q241-L245 WeakPolarHBondContact O-CG 3.36Å; Q241-L245 PolarHBondContact O-N 2.76Å; Q241-L245 VanDerWaalsContact O-N 3.1Å
242	L	93.1	Very high	89.6	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-43.7	-178	-69.3	173.2	0	0	0	112.2	W186 R189 A190 L193 R238 A239 L240 S244 L245 A246	W186-L242 HydrophobicContact CB-CB 4.29Å; W186-L242 HydrophobicContact CB-CD2 4.38Å; W186-L242 HydrophobicContact CG-CD2 4.16Å; R189-L242 HydrophobicContact CB-CD1 3.72Å; A190-L242 HydrophobicContact CB-CB 3.99Å; L193-L242 HydrophobicContact CD1-CD1 3.83Å; R238-L242 HydrophobicContact CG-CD1 4.44Å; R238-L242 WeakPolarHBondContact O-CG 3.33Å; R238-L242 PolarHBondContact O-N 2.84Å; R238-L242 VanDerWaalsContact O-N 3.17Å; A239-L242 PolarHBondContact O-N 3.42Å; L240-L242 PolarHBondContact O-N 2.86Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 2.78Å; L242-L245 PolarHBondContact O-N 3.14Å; L242-A246 PolarHBondContact O-N 3.47Å
243	V	93.8	Very high	88.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.4	-32.1	177.6	76.6	0	0	0	0	111.8	L187 A190 A239 L240 L245 A246 Y247 P322 L325 M326 L329	L187-V243 HydrophobicContact CD1-CG2 4.1Å; A190-V243 HydrophobicContact CB-CB 3.91Å; A239-V243 PolarHBondContact O-N 3.26Å; L240-V243 HydrophobicContact CD1-CG1 4.19Å; L240-V243 WeakPolarHBondContact O-CG1 3.3Å; V243-L245 VanDerWaalsContact C-N 3.34Å; V243-A246 PolarHBondContact O-N 3.32Å; V243-Y247 VanDerWaalsContact O-CB 3.26Å; V243-Y247 WeakPolarHBondContact O-CB 3.3Å; V243-Y247 PolarHBondContact O-N 3.09Å; V243-P322 HydrophobicContact CG2-CB 4.27Å; V243-P322 VanDerWaalsContact CG2-O 3.27Å; V243-P322 WeakPolarHBondContact CG2-O 3.31Å; V243-L325 HydrophobicContact CB-CD2 4.38Å; V243-L325 HydrophobicContact CG2-CB 3.93Å; V243-L325 HydrophobicContact CG2-CD2 3.93Å; V243-L325 HydrophobicContact CG2-CG 4Å; V243-M326 HydrophobicContact CG1-CB 3.77Å; V243-M326 HydrophobicContact CG1-CG 4.01Å; V243-M326 HydrophobicContact CG1-SD 4.44Å; V243-M326 HydrophobicContact CG2-CB 4.19Å; V243-L329 HydrophobicContact CB-CD1 4.23Å; V243-L329 HydrophobicContact CG1-CD1 3.72Å
244	S	91.6	Very high	86.2	Confident	30 Å²	30	36.5 Å²	36.5	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-44.6	172.9	-68.3	0	0	0	0	110.4	L240 Q241 L242 Y247 W248 M326	L240-S244 VanDerWaalsContact O-CB 3.3Å; L240-S244 WeakPolarHBondContact O-CB 3.37Å; L240-S244 PolarHBondContact O-N 3.2Å; L240-S244 PolarHBondContact O-OG 3.36Å; Q241-S244 PolarHBondContact O-N 3.44Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 2.78Å; S244-Y247 PolarHBondContact O-N 3.32Å; S244-W248 PolarHBondContact O-N 2.81Å; S244-M326 PolarHBondContact OG-SD 3.37Å
245	L	89.2	Confident	84.1	Confident	68 Å²	68	42.7 Å²	42.7	36%	0.356	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-48	172.7	-66.8	172.6	0	0	0	111.2	W178 W186 Q241 L242 V243 Y247 W248 A249	W178-L245 HydrophobicContact CH2-CD2 3.83Å; W178-L245 HydrophobicContact CZ3-CB 4.32Å; W178-L245 HydrophobicContact CZ3-CD2 4.28Å; W178-L245 VanDerWaalsContact CZ3-O 3.29Å; W178-L245 WeakPolarHBondContact CZ3-O 3.4Å; W186-L245 HydrophobicContact CD2-CB 4.04Å; W186-L245 HydrophobicContact CE3-CB 3.61Å; W186-L245 HydrophobicContact CH2-CB 4.39Å; W186-L245 HydrophobicContact CZ2-CD1 4.45Å; W186-L245 HydrophobicContact CZ3-CB 3.85Å; Q241-L245 WeakPolarHBondContact O-CG 3.36Å; Q241-L245 PolarHBondContact O-N 2.76Å; Q241-L245 VanDerWaalsContact O-N 3.1Å; L242-L245 PolarHBondContact O-N 3.14Å; V243-L245 VanDerWaalsContact C-N 3.34Å; L245-Y247 VanDerWaalsContact C-N 3.32Å; L245-Y247 PolarHBondContact O-N 3.47Å; L245-W248 PolarHBondContact O-N 3.27Å; L245-A249 WeakPolarHBondContact O-CB 3.38Å; L245-A249 PolarHBondContact O-N 3.19Å
246	A	87.2	Confident	81.6	Confident	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-40.8	178.6	0	0	0	0	0	112.9	W186 L187 L242 V243 A249 E250	W186-A246 HydrophobicContact CB-CB 4.17Å; L187-A246 HydrophobicContact CB-CB 4.1Å; L242-A246 PolarHBondContact O-N 3.47Å; V243-A246 PolarHBondContact O-N 3.32Å; A246-A249 WeakPolarHBondContact O-CB 3.31Å; A246-A249 PolarHBondContact O-N 3.12Å; A246-E250 WeakPolarHBondContact O-CB 3.34Å; A246-E250 PolarHBondContact O-N 2.89Å
247	Y	87.6	Confident	78.9	Confident	11 Å²	11	53.2 Å²	53.2	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-42.8	176.8	173.1	-100.3	0	0	0	112	V243 S244 L245 E250 K251 P322 L323 M326 Q360	V243-Y247 VanDerWaalsContact O-CB 3.26Å; V243-Y247 WeakPolarHBondContact O-CB 3.3Å; V243-Y247 PolarHBondContact O-N 3.09Å; S244-Y247 PolarHBondContact O-N 3.32Å; L245-Y247 VanDerWaalsContact C-N 3.32Å; L245-Y247 PolarHBondContact O-N 3.47Å; Y247-E250 PolarHBondContact O-N 3.39Å; Y247-K251 HydrophobicContact CE1-CG 4.13Å; Y247-K251 HydrophobicContact CE2-CG 4.06Å; Y247-K251 WeakPolarHBondContact O-CB 3.45Å; Y247-K251 WeakPolarHBondContact O-CG 3.14Å; Y247-K251 PolarHBondContact O-N 2.83Å; Y247-K251 WeakPolarHBondContact OH-CE 3.45Å; Y247-P322 HydrophobicContact CD2-CB 4.39Å; Y247-L323 HydrophobicContact CD2-CB 4.13Å; Y247-L323 HydrophobicContact CD2-CD1 4.34Å; Y247-L323 HydrophobicContact CE2-CB 3.97Å; Y247-L323 HydrophobicContact CE2-CD1 3.78Å; Y247-L323 HydrophobicContact CE2-CG 4.36Å; Y247-M326 HydrophobicContact CD1-CE 3.94Å; Y247-M326 HydrophobicContact CD1-SD 4.49Å; Y247-M326 HydrophobicContact CE1-CE 4.25Å; Y247-M326 HydrophobicContact CG-CE 4.32Å; Y247-Q360 PolarHBondContact OH-NE2 3.49Å
248	W	83.1	Confident	76.2	Confident	92 Å²	92	55.2 Å²	55.2	35%	0.348	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-41.6	175.7	-72.9	118.4	0	0	0	112	W178 S244 L245 E250 K251 T252 Y366	W178-W248 HydrophobicContact CH2-CB 4.23Å; W178-W248 HydrophobicContact CZ3-CB 4.41Å; S244-W248 PolarHBondContact O-N 2.81Å; L245-W248 PolarHBondContact O-N 3.27Å; W248-E250 VanDerWaalsContact C-N 3.34Å; W248-E250 PolarHBondContact O-N 3.05Å; W248-K251 PolarHBondContact O-N 2.93Å; W248-T252 WeakPolarHBondContact O-CB 3.41Å; W248-T252 PolarHBondContact O-N 3.46Å; W248-T252 PolarHBondContact O-OG1 3.42Å; W248-T252 VanDerWaalsContact O-OG1 3.08Å; W248-Y366 AromaticContact CH2-CE1 3.79Å; W248-Y366 HydrophobicContact CH2-CE1 3.79Å; W248-Y366 AromaticContact CH2-CE2 3.88Å; W248-Y366 HydrophobicContact CH2-CE2 3.88Å; W248-Y366 AromaticContact CH2-CZ 3.29Å; W248-Y366 WeakPolarHBondContact CH2-OH 3.29Å; W248-Y366 HydrophobicContact CZ2-CE2 4.34Å; W248-Y366 AromaticContact CZ2-CZ 3.74Å; W248-Y366 WeakPolarHBondContact CZ2-OH 3.48Å
249	A	80.1	Confident	73.3	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-56	-50	173.3	0	0	0	0	0	110.9	W178 A183 W186 L245 A246 T252 C253	W178-A249 HydrophobicContact CD2-CB 4.4Å; W178-A249 HydrophobicContact CE3-CB 3.37Å; W178-A249 HydrophobicContact CZ3-CB 3.83Å; A183-A249 HydrophobicContact CB-CB 3.5Å; W186-A249 HydrophobicContact CZ3-CB 4.2Å; L245-A249 WeakPolarHBondContact O-CB 3.38Å; L245-A249 PolarHBondContact O-N 3.19Å; A246-A249 WeakPolarHBondContact O-CB 3.31Å; A246-A249 PolarHBondContact O-N 3.12Å; A249-T252 PolarHBondContact O-N 3.4Å; A249-C253 WeakPolarHBondContact O-CB 3.22Å; A249-C253 PolarHBondContact O-N 3.15Å; A249-C253 PolarHBondContact O-SG 2.91Å
250	E	77.3	Confident	70.6	Confident	86 Å²	86	64.3 Å²	64.3	40%	0.402	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-49.6	178	-176.6	-176.8	-146.9	0	0	111.1	A246 Y247 W248 T252 V254 P322	A246-E250 WeakPolarHBondContact O-CB 3.34Å; A246-E250 PolarHBondContact O-N 2.89Å; Y247-E250 PolarHBondContact O-N 3.39Å; W248-E250 VanDerWaalsContact C-N 3.34Å; W248-E250 PolarHBondContact O-N 3.05Å; E250-T252 VanDerWaalsContact C-N 3.25Å; E250-T252 PolarHBondContact O-N 2.85Å; E250-V254 HydrophobicContact CG-CG2 4.03Å; E250-V254 WeakPolarHBondContact O-CB 3.39Å; E250-V254 WeakPolarHBondContact O-CG2 3.35Å; E250-V254 PolarHBondContact O-N 3.43Å; E250-P322 WeakPolarHBondContact OE2-CD 3.32Å; E250-P322 VanDerWaalsContact OE2-CG 3.22Å; E250-P322 WeakPolarHBondContact OE2-CG 3.33Å
251	K	75	Confident	67.7	Low	93 Å²	93	68.9 Å²	68.9	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-32	179.9	-76.2	-68.8	-172.5	-179.7	0	113.4	Y247 W248	Y247-K251 HydrophobicContact CE1-CG 4.13Å; Y247-K251 HydrophobicContact CE2-CG 4.06Å; Y247-K251 WeakPolarHBondContact O-CB 3.45Å; Y247-K251 WeakPolarHBondContact O-CG 3.14Å; Y247-K251 PolarHBondContact O-N 2.83Å; Y247-K251 WeakPolarHBondContact OH-CE 3.45Å; W248-K251 PolarHBondContact O-N 2.93Å
252	T	70.4	Confident	65.1	Low	44 Å²	44	71.1 Å²	71.1	27%	0.27	38%	0.376	S	S	.	.	H	α-helix	trans	-89.4	-43.6	-178.5	-54.3	0	0	0	0	112.5	T175 W248 A249 E250 N255	T175-T252 HydrophobicContact CG2-CG2 4.16Å; W248-T252 WeakPolarHBondContact O-CB 3.41Å; W248-T252 PolarHBondContact O-N 3.46Å; W248-T252 PolarHBondContact O-OG1 3.42Å; W248-T252 VanDerWaalsContact O-OG1 3.08Å; A249-T252 PolarHBondContact O-N 3.4Å; E250-T252 VanDerWaalsContact C-N 3.25Å; E250-T252 PolarHBondContact O-N 2.85Å; T252-N255 PolarHBondContact O-N 3.32Å
253	C	63.3	Low	62.5	Low	24 Å²	24	75.6 Å²	75.6	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-73.6	-28.3	-178.4	-61.1	0	0	0	0	113.6	W178 A249 N255 D256 V257	W178-C253 PolarHBondContact O-SG 3.25Å; W178-C253 VanDerWaalsContact O-SG 3.34Å; A249-C253 WeakPolarHBondContact O-CB 3.22Å; A249-C253 PolarHBondContact O-N 3.15Å; A249-C253 PolarHBondContact O-SG 2.91Å; C253-N255 PolarHBondContact O-N 3.38Å; C253-N255 VanDerWaalsContact O-N 3.11Å; C253-D256 PolarHBondContact O-N 3.44Å; C253-V257 PolarHBondContact O-N 3.44Å
254	V	54	Low	60	Low	84 Å²	84	84.4 Å²	84.4	51%	0.509	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.5	177.4	166.1	0	0	0	0	111.9	E250 D256	E250-V254 HydrophobicContact CG-CG2 4.03Å; E250-V254 WeakPolarHBondContact O-CB 3.39Å; E250-V254 WeakPolarHBondContact O-CG2 3.35Å; E250-V254 PolarHBondContact O-N 3.43Å; V254-D256 VanDerWaalsContact C-N 3.35Å
255	N	47.8	Very low	57.6	Low	134 Å²	134	89.2 Å²	89.2	72%	0.717	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23	175.6	-67.8	-29.3	0	0	0	113.7	T252 C253	T252-N255 PolarHBondContact O-N 3.32Å; C253-N255 PolarHBondContact O-N 3.38Å; C253-N255 VanDerWaalsContact O-N 3.11Å
256	D	43.6	Very low	55.3	Low	137 Å²	137	89.6 Å²	89.6	73%	0.733	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-32.5	-175.4	-74.9	-24.9	0	0	0	113.8	C253 V254	C253-D256 PolarHBondContact O-N 3.44Å; V254-D256 VanDerWaalsContact C-N 3.35Å
257	V	40.3	Very low	53.1	Low	95 Å²	95	94 Å²	94	58%	0.576	52%	0.515	S	S	*	.	S	Bend	trans	-150.9	93.3	-174.9	-169.2	0	0	0	0	110.6	C253	C253-V257 PolarHBondContact O-N 3.44Å
258	L	39	Very low	50.9	Low	68 Å²	68	100.3 Å²	100.3	36%	0.356	55%	0.55	S	S	.	.			trans	154.8	97.9	142.5	-85.4	146.9	0	0	0	112.2	L260	L258-L260 HydrophobicContact CD2-CD1 4.32Å; L258-L260 PolarHBondContact O-N 3.39Å
259	P	35.3	Very low	48.8	Very low	97 Å²	97	101.6 Å²	101.6	63%	0.63	56%	0.56	S	S	*	*			trans	-63.3	112.6	133.9	-4.7	22.9	0	0	0	106.1	E261	P259-E261 HydrophobicContact CB-CB 4.44Å; P259-E261 HydrophobicContact CB-CG 3.92Å; P259-E261 PolarHBondContact O-N 2.96Å
260	L	40.5	Very low	46.9	Very low	150 Å²	150	110 Å²	110	79%	0.785	60%	0.596	S	S	*	*			trans	-68.7	56.1	158.2	-121.8	101.4	0	0	0	107.9	L258 I262	L258-L260 HydrophobicContact CD2-CD1 4.32Å; L258-L260 PolarHBondContact O-N 3.39Å; L260-I262 PolarHBondContact O-N 3.29Å
261	E	35	Very low	45.4	Very low	124 Å²	124	108 Å²	108	58%	0.579	59%	0.59	S	S	*	*			trans	-68.4	105.3	165.3	-80.9	-176.2	-178.4	0	0	105.4	P259 N263	P259-E261 HydrophobicContact CB-CB 4.44Å; P259-E261 HydrophobicContact CB-CG 3.92Å; P259-E261 PolarHBondContact O-N 2.96Å; E261-N263 PolarHBondContact O-N 2.93Å; E261-N263 PolarHBondContact OE2-ND2 3.5Å
262	I	40	Very low	44.1	Very low	152 Å²	152	106.8 Å²	106.8	78%	0.779	59%	0.592	S	S	*	*			trans	-63.2	69.6	157.9	-53.3	170.2	0	0	0	105.4	L260 E264	L260-I262 PolarHBondContact O-N 3.29Å; I262-E264 PolarHBondContact O-N 3.48Å; I262-E264 VanDerWaalsContact O-N 3.11Å
263	N	38.2	Very low	43	Very low	95 Å²	95	108.1 Å²	108.1	51%	0.508	60%	0.601	S	S	.	*			trans	-71.9	107.1	169.7	-85.9	-35.7	0	0	0	104.8	E261 N265	E261-N263 PolarHBondContact O-N 2.93Å; E261-N263 PolarHBondContact OE2-ND2 3.5Å; N263-N265 CarbonylContact O-C 3.59Å; N263-N265 PolarHBondContact O-N 3.24Å
264	E	41.2	Very low	42.6	Very low	186 Å²	186	111.5 Å²	111.5	87%	0.869	62%	0.617	S	S	*	*	S	Bend	trans	-54.4	-9.4	173.6	-64.8	-174.3	149.7	0	0	112.7	I262 G266	I262-E264 PolarHBondContact O-N 3.48Å; I262-E264 VanDerWaalsContact O-N 3.11Å; E264-G266 PolarHBondContact O-N 3.4Å
265	N	42.5	Very low	42.7	Very low	131 Å²	131	108 Å²	108	70%	0.701	60%	0.596	S	S	*	*	S	Bend	trans	-83.2	89.3	171.1	-59.3	-24.1	0	0	0	109.7	N263 S267	N263-N265 CarbonylContact O-C 3.59Å; N263-N265 PolarHBondContact O-N 3.24Å; N265-S267 PolarHBondContact O-N 3.35Å; N265-S267 PolarHBondContact O-OG 3.05Å
266	G	40.1	Very low	43.3	Very low	76 Å²	76	104.5 Å²	104.5	78%	0.784	58%	0.576	S	S	*	*			trans	-49.9	66.7	-178.3	0	0	0	0	0	117.4	E264	E264-G266 PolarHBondContact O-N 3.4Å
267	S	40.2	Very low	44.5	Very low	94 Å²	94	102.5 Å²	102.5	66%	0.657	56%	0.562	S	S	*	*			trans	-99	99	162.2	56.4	0	0	0	0	107.9	N265 H269	N265-S267 PolarHBondContact O-N 3.35Å; N265-S267 PolarHBondContact O-OG 3.05Å; S267-H269 PolarHBondContact O-N 2.95Å
268	D	41.1	Very low	46.1	Very low	143 Å²	143	99 Å²	99	77%	0.765	54%	0.539	S	S	*	.			trans	-51.8	103.8	-178.8	-73.2	-47	0	0	0	112	K270	D268-K270 PolarHBondContact O-N 2.92Å
269	H	39.8	Very low	47.8	Very low	120 Å²	120	96.5 Å²	96.5	56%	0.556	53%	0.526	S	S	*	.			trans	-62.8	107.4	163.5	-88.1	-75.5	0	0	0	108.8	S267 T271 S272 T273	S267-H269 PolarHBondContact O-N 2.95Å; H269-T271 PolarHBondContact O-N 3.2Å; H269-S272 PolarHBondContact O-N 2.77Å; H269-T273 PolarHBondContact O-N 3.28Å; H269-T273 PolarHBondContact O-OG1 2.74Å
270	K	41.2	Very low	49.8	Very low	177 Å²	177	93.7 Å²	93.7	77%	0.77	50%	0.504	S	S	*	.	H	α-helix	trans	-44.5	-29.9	177.1	-71	179	176.6	177.4	0	114.5	D268 N274	D268-K270 PolarHBondContact O-N 2.92Å; K270-N274 PolarHBondContact O-N 3.01Å; K270-N274 VanDerWaalsContact O-N 3.07Å
271	T	45.2	Very low	51.5	Low	45 Å²	45	86.7 Å²	86.7	28%	0.276	47%	0.467	S	S	.	.	H	α-helix	trans	-68.6	-47	178.4	48.5	0	0	0	0	112.4	H269 T273 N274 N275	H269-T271 PolarHBondContact O-N 3.2Å; T271-T273 VanDerWaalsContact C-N 3.28Å; T271-T273 PolarHBondContact O-N 3.12Å; T271-N274 PolarHBondContact O-N 2.91Å; T271-N275 PolarHBondContact O-N 2.95Å; T271-N275 VanDerWaalsContact O-N 3.15Å; T271-N275 PolarHBondContact O-ND2 2.76Å
272	S	47.1	Very low	53.7	Low	66 Å²	66	81.1 Å²	81.1	46%	0.462	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-40	175.3	-171.5	0	0	0	0	110.8	H269 N275 I276	H269-S272 PolarHBondContact O-N 2.77Å; S272-N275 PolarHBondContact O-N 3.33Å; S272-I276 WeakPolarHBondContact O-CB 3.28Å; S272-I276 WeakPolarHBondContact O-CD1 3.29Å; S272-I276 VanDerWaalsContact O-CG1 3.23Å; S272-I276 WeakPolarHBondContact O-CG1 3.28Å; S272-I276 PolarHBondContact O-N 3.14Å
273	T	48.5	Very low	55.4	Low	72 Å²	72	74.2 Å²	74.2	44%	0.442	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-43.9	178.9	-36.9	0	0	0	0	112.8	H269 T271 H277	H269-T273 PolarHBondContact O-N 3.28Å; H269-T273 PolarHBondContact O-OG1 2.74Å; T271-T273 VanDerWaalsContact C-N 3.28Å; T271-T273 PolarHBondContact O-N 3.12Å; T273-H277 VanDerWaalsContact O-CB 3.32Å; T273-H277 WeakPolarHBondContact O-CB 3.27Å; T273-H277 PolarHBondContact O-N 3.19Å
274	N	53.5	Low	57.1	Low	95 Å²	95	71 Å²	71	51%	0.508	40%	0.397	S	S	.	.	H	α-helix	trans	-66.8	-38.2	178.5	-77.1	-7.7	0	0	0	112.4	K270 T271 H277 W278	K270-N274 PolarHBondContact O-N 3.01Å; K270-N274 VanDerWaalsContact O-N 3.07Å; T271-N274 PolarHBondContact O-N 2.91Å; N274-H277 WeakPolarHBondContact O-CB 3.35Å; N274-H277 PolarHBondContact O-N 3.16Å; N274-W278 PolarHBondContact O-N 3.26Å
275	N	57.6	Low	58.7	Low	12 Å²	12	67.6 Å²	67.6	6%	0.064	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-50.4	177.2	-77.2	-50	0	0	0	113	D181 I184 T271 S272 H277 W278 I279	D181-N275 WeakPolarHBondContact CA-OD1 3.14Å; D181-N275 WeakPolarHBondContact CB-OD1 3.48Å; D181-N275 VanDerWaalsContact OD1-CG 3.31Å; D181-N275 PolarHBondContact OD1-ND2 2.94Å; D181-N275 PolarHBondContact OD1-OD1 3.26Å; I184-N275 HydrophobicContact CD1-CB 3.94Å; I184-N275 WeakPolarHBondContact CD1-ND2 3.32Å; I184-N275 WeakPolarHBondContact CD1-OD1 3.48Å; I184-N275 HydrophobicContact CG2-CB 4.47Å; T271-N275 PolarHBondContact O-N 2.95Å; T271-N275 VanDerWaalsContact O-N 3.15Å; T271-N275 PolarHBondContact O-ND2 2.76Å; S272-N275 PolarHBondContact O-N 3.33Å; N275-H277 PolarHBondContact O-N 2.65Å; N275-W278 PolarHBondContact O-N 3Å; N275-W278 PolarHBondContact O-NE1 3.23Å; N275-I279 WeakPolarHBondContact O-CG1 3.31Å; N275-I279 PolarHBondContact O-N 2.96Å; N275-I279 VanDerWaalsContact O-N 3.13Å
276	I	59.7	Low	60.4	Low	59 Å²	59	65.6 Å²	65.6	30%	0.303	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-38.6	175.7	-67.9	167.2	0	0	0	109.5	S272 Q280	S272-I276 WeakPolarHBondContact O-CB 3.28Å; S272-I276 WeakPolarHBondContact O-CD1 3.29Å; S272-I276 VanDerWaalsContact O-CG1 3.23Å; S272-I276 WeakPolarHBondContact O-CG1 3.28Å; S272-I276 PolarHBondContact O-N 3.14Å; I276-Q280 HydrophobicContact CG2-CG 4.13Å; I276-Q280 VanDerWaalsContact CG2-NE2 3.3Å; I276-Q280 VanDerWaalsContact O-CB 3.22Å; I276-Q280 WeakPolarHBondContact O-CB 3.03Å; I276-Q280 WeakPolarHBondContact O-CG 3.36Å; I276-Q280 PolarHBondContact O-N 2.88Å; I276-Q280 PolarHBondContact O-OE1 3.25Å
277	H	67.7	Low	62.2	Low	95 Å²	95	64 Å²	64	44%	0.44	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-49.4	178.3	-176.3	-90.1	0	0	0	113.1	T273 N274 N275 Q280 V281	T273-H277 VanDerWaalsContact O-CB 3.32Å; T273-H277 WeakPolarHBondContact O-CB 3.27Å; T273-H277 PolarHBondContact O-N 3.19Å; N274-H277 WeakPolarHBondContact O-CB 3.35Å; N274-H277 PolarHBondContact O-N 3.16Å; N275-H277 PolarHBondContact O-N 2.65Å; H277-Q280 PolarHBondContact O-N 3.46Å; H277-V281 VanDerWaalsContact O-CG2 3.31Å; H277-V281 WeakPolarHBondContact O-CG2 3.2Å; H277-V281 PolarHBondContact O-N 3.11Å
278	W	74.9	Confident	63.9	Low	22 Å²	22	60.1 Å²	60.1	8%	0.083	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-42	-179.1	86.3	-108.3	0	0	0	111	I184 Q185 Y188 N274 N275 Q280 V281 V282	I184-W278 HydrophobicContact CG2-CZ2 3.78Å; Q185-W278 HydrophobicContact CB-CH2 4.37Å; Q185-W278 HydrophobicContact CB-CZ2 4.02Å; Q185-W278 HydrophobicContact CG-CE3 4.37Å; Q185-W278 HydrophobicContact CG-CH2 4.23Å; Q185-W278 HydrophobicContact CG-CZ2 4.36Å; Q185-W278 HydrophobicContact CG-CZ3 4.21Å; Y188-W278 AromaticContact CD1-CH2 3.69Å; Y188-W278 HydrophobicContact CD1-CH2 3.69Å; Y188-W278 AromaticContact CD1-CZ3 3.94Å; Y188-W278 HydrophobicContact CD1-CZ3 3.94Å; Y188-W278 AromaticContact CD2-CH2 3.85Å; Y188-W278 HydrophobicContact CD2-CH2 3.85Å; Y188-W278 HydrophobicContact CD2-CZ3 4.47Å; Y188-W278 HydrophobicContact CE1-CH2 4.44Å; Y188-W278 HydrophobicContact CE1-CZ3 4.32Å; Y188-W278 AromaticContact CG-CH2 3.39Å; Y188-W278 HydrophobicContact CG-CH2 3.39Å; Y188-W278 HydrophobicContact CG-CZ2 4.38Å; Y188-W278 HydrophobicContact CG-CZ3 4.06Å; N274-W278 PolarHBondContact O-N 3.26Å; N275-W278 PolarHBondContact O-N 3Å; N275-W278 PolarHBondContact O-NE1 3.23Å; W278-Q280 VanDerWaalsContact C-N 3.33Å; W278-Q280 PolarHBondContact O-N 3Å; W278-V281 PolarHBondContact O-N 3.37Å; W278-V282 HydrophobicContact CE3-CB 4.24Å; W278-V282 HydrophobicContact CE3-CG2 3.65Å; W278-V282 HydrophobicContact CZ3-CB 4.03Å; W278-V282 HydrophobicContact CZ3-CG1 4.47Å; W278-V282 HydrophobicContact CZ3-CG2 3.78Å; W278-V282 WeakPolarHBondContact O-CG2 3.15Å; W278-V282 PolarHBondContact O-N 2.99Å
279	I	75.5	Confident	65.4	Low	15 Å²	15	58.3 Å²	58.3	8%	0.077	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-46.3	177.6	-66.9	170.4	0	0	0	109.9	I184 Y188 N275 V281 V282 S283 F316 L318	I184-I279 HydrophobicContact CG2-CD1 3.84Å; Y188-I279 HydrophobicContact CE2-CG2 4.47Å; N275-I279 WeakPolarHBondContact O-CG1 3.31Å; N275-I279 PolarHBondContact O-N 2.96Å; N275-I279 VanDerWaalsContact O-N 3.13Å; I279-V281 VanDerWaalsContact C-N 3.3Å; I279-V281 PolarHBondContact O-N 3.3Å; I279-V282 PolarHBondContact O-N 3.37Å; I279-S283 WeakPolarHBondContact O-CB 3.47Å; I279-S283 PolarHBondContact O-N 3.45Å; I279-S283 PolarHBondContact O-OG 2.91Å; I279-F316 HydrophobicContact CD1-CD1 4.23Å; I279-F316 HydrophobicContact CD1-CE1 4.1Å; I279-L318 HydrophobicContact CD1-CD2 3.73Å
280	Q	76.4	Confident	66.7	Low	39 Å²	39	54.1 Å²	54.1	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-33.8	-179.7	-75.2	171	-25.1	0	0	113	I276 H277 W278 S283 G284 E285 K286	I276-Q280 HydrophobicContact CG2-CG 4.13Å; I276-Q280 VanDerWaalsContact CG2-NE2 3.3Å; I276-Q280 VanDerWaalsContact O-CB 3.22Å; I276-Q280 WeakPolarHBondContact O-CB 3.03Å; I276-Q280 WeakPolarHBondContact O-CG 3.36Å; I276-Q280 PolarHBondContact O-N 2.88Å; I276-Q280 PolarHBondContact O-OE1 3.25Å; H277-Q280 PolarHBondContact O-N 3.46Å; W278-Q280 VanDerWaalsContact C-N 3.33Å; W278-Q280 PolarHBondContact O-N 3Å; Q280-S283 WeakPolarHBondContact CA-OG 3.41Å; Q280-S283 PolarHBondContact O-OG 3.14Å; Q280-G284 CarbonylContact O-C 3.58Å; Q280-G284 PolarHBondContact O-N 2.58Å; Q280-G284 VanDerWaalsContact O-N 3.1Å; Q280-E285 HydrophobicContact CB-CB 4.32Å; Q280-E285 PolarHBondContact O-N 3.35Å; Q280-K286 HydrophobicContact CB-CB 3.99Å; Q280-K286 HydrophobicContact CB-CD 3.94Å; Q280-K286 HydrophobicContact CB-CG 3.9Å; Q280-K286 PolarHBondContact O-N 2.94Å
281	V	76.5	Confident	67.7	Low	2 Å²	2	52.7 Å²	52.7	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-70.1	-43.2	174.1	170.6	0	0	0	0	110.7	L37 R80 L149 H277 W278 I279 G284 K286 I288	L37-V281 HydrophobicContact CD2-CG1 4.33Å; R80-V281 PolarHBondContact NH1-O 3.24Å; L149-V281 HydrophobicContact CD2-CB 4.38Å; L149-V281 HydrophobicContact CD2-CG1 3.71Å; H277-V281 VanDerWaalsContact O-CG2 3.31Å; H277-V281 WeakPolarHBondContact O-CG2 3.2Å; H277-V281 PolarHBondContact O-N 3.11Å; W278-V281 PolarHBondContact O-N 3.37Å; I279-V281 VanDerWaalsContact C-N 3.3Å; I279-V281 PolarHBondContact O-N 3.3Å; V281-G284 PolarHBondContact O-N 3.16Å; V281-G284 VanDerWaalsContact O-N 3.16Å; V281-K286 HydrophobicContact CG2-CB 4.24Å; V281-I288 HydrophobicContact CG1-CD1 3.48Å; V281-I288 VanDerWaalsContact CG1-CD1 3.48Å; V281-I288 HydrophobicContact CG1-CG1 3.46Å; V281-I288 VanDerWaalsContact CG1-CG1 3.46Å; V281-I288 HydrophobicContact CG2-CG1 4.23Å
282	V	80.4	Confident	68.5	Low	7 Å²	7	53.9 Å²	53.9	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-70.7	-38.2	-179.9	178.7	0	0	0	0	111.9	L37 R80 I82 Y188 W278 I279 G284	L37-V282 HydrophobicContact CD2-CG2 4.15Å; R80-V282 PolarHBondContact NH1-O 3.46Å; R80-V282 PolarHBondContact NH2-O 3.46Å; I82-V282 HydrophobicContact CD1-CG1 3.58Å; Y188-V282 HydrophobicContact CE1-CG1 3.64Å; Y188-V282 WeakPolarHBondContact OH-CG1 3.41Å; W278-V282 HydrophobicContact CE3-CB 4.24Å; W278-V282 HydrophobicContact CE3-CG2 3.65Å; W278-V282 HydrophobicContact CZ3-CB 4.03Å; W278-V282 HydrophobicContact CZ3-CG1 4.47Å; W278-V282 HydrophobicContact CZ3-CG2 3.78Å; W278-V282 WeakPolarHBondContact O-CG2 3.15Å; W278-V282 PolarHBondContact O-N 2.99Å; I279-V282 PolarHBondContact O-N 3.37Å; V282-G284 PolarHBondContact O-N 3.26Å
283	S	76.9	Confident	69.4	Low	7 Å²	7	53.7 Å²	53.7	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-24.4	171.4	73.1	0	0	0	0	111.6	I279 Q280 E285	I279-S283 WeakPolarHBondContact O-CB 3.47Å; I279-S283 PolarHBondContact O-N 3.45Å; I279-S283 PolarHBondContact O-OG 2.91Å; Q280-S283 WeakPolarHBondContact CA-OG 3.41Å; Q280-S283 PolarHBondContact O-OG 3.14Å; S283-E285 VanDerWaalsContact OG-CD 3.23Å; S283-E285 WeakPolarHBondContact OG-CG 3.34Å; S283-E285 PolarHBondContact OG-OE1 2.95Å
284	G	73.7	Confident	70.4	Confident	28 Å²	28	57.2 Å²	57.2	29%	0.289	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	5.4	179.4	0	0	0	0	0	113.6	Q280 V281 V282 K286	Q280-G284 CarbonylContact O-C 3.58Å; Q280-G284 PolarHBondContact O-N 2.58Å; Q280-G284 VanDerWaalsContact O-N 3.1Å; V281-G284 PolarHBondContact O-N 3.16Å; V281-G284 VanDerWaalsContact O-N 3.16Å; V282-G284 PolarHBondContact O-N 3.26Å; G284-K286 VanDerWaalsContact C-N 3.34Å
285	E	75.1	Confident	71.6	Confident	115 Å²	115	58.9 Å²	58.9	54%	0.537	34%	0.336	S	S	.	.	S	Bend	trans	-65.2	-36.5	174	-73.4	164.3	-132.6	0	0	112.5	Q280 S283	Q280-E285 HydrophobicContact CB-CB 4.32Å; Q280-E285 PolarHBondContact O-N 3.35Å; S283-E285 VanDerWaalsContact OG-CD 3.23Å; S283-E285 WeakPolarHBondContact OG-CG 3.34Å; S283-E285 PolarHBondContact OG-OE1 2.95Å
286	K	77.8	Confident	72.6	Confident	88 Å²	88	59 Å²	59	38%	0.383	34%	0.337	S	S	.	.	S	Bend	trans	-111.3	135.3	-179.9	-80	-172.1	178.8	167.9	0	112.6	Q280 V281 G284	Q280-K286 HydrophobicContact CB-CB 3.99Å; Q280-K286 HydrophobicContact CB-CD 3.94Å; Q280-K286 HydrophobicContact CB-CG 3.9Å; Q280-K286 PolarHBondContact O-N 2.94Å; V281-K286 HydrophobicContact CG2-CB 4.24Å; G284-K286 VanDerWaalsContact C-N 3.34Å
287	P	77.3	Confident	73.6	Confident	43 Å²	43	58.9 Å²	58.9	28%	0.279	34%	0.337	S	S	.	.			trans	-77.2	152.9	172.2	31.7	-32.2	0	0	0	111.1	K295 L296 N297	P287-K295 HydrophobicContact CB-CD 4.37Å; P287-K295 VanDerWaalsContact CB-CE 3.48Å; P287-K295 HydrophobicContact CB-CG 3.9Å; P287-K295 HydrophobicContact CG-CD 4.31Å; P287-K295 HydrophobicContact CG-CG 4.31Å; P287-L296 VanDerWaalsContact CA-O 3.32Å; P287-L296 WeakPolarHBondContact CA-O 3.43Å; P287-L296 WeakPolarHBondContact CB-O 3.33Å; P287-N297 WeakPolarHBondContact CB-OD1 3.12Å
288	I	77	Confident	74.2	Confident	13 Å²	13	54.9 Å²	54.9	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138	174.7	-57.1	175.5	0	0	0	108.5	F39 Y147 V281 K295 L296	F39-I288 HydrophobicContact CD2-CD1 4.21Å; F39-I288 HydrophobicContact CE2-CD1 3.29Å; F39-I288 HydrophobicContact CZ-CD1 3.48Å; F39-I288 VanDerWaalsContact CZ-CD1 3.48Å; Y147-I288 HydrophobicContact CD1-CD1 3.9Å; Y147-I288 HydrophobicContact CD1-CG2 4.22Å; Y147-I288 HydrophobicContact CE1-CD1 3.86Å; Y147-I288 HydrophobicContact CE1-CG2 3.71Å; Y147-I288 HydrophobicContact CE2-CG2 4.29Å; V281-I288 HydrophobicContact CG1-CD1 3.48Å; V281-I288 VanDerWaalsContact CG1-CD1 3.48Å; V281-I288 HydrophobicContact CG1-CG1 3.46Å; V281-I288 VanDerWaalsContact CG1-CG1 3.46Å; V281-I288 HydrophobicContact CG2-CG1 4.23Å; I288-K295 CarbonylContact O-C 3.56Å; I288-K295 WeakPolarHBondContact O-CA 3.3Å; I288-L296 HydrophobicContact CB-CB 4.32Å; I288-L296 PolarHBondContact N-O 2.71Å; I288-L296 PolarHBondContact O-N 2.76Å
289	T	70.8	Confident	74.4	Confident	105 Å²	105	58.7 Å²	58.7	64%	0.644	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.7	166.2	48.6	0	0	0	0	108.1
290	S	68.2	Low	74.9	Confident	32 Å²	32	61.8 Å²	61.8	22%	0.224	37%	0.367	C	S	.	.			trans	-72.1	159.4	175.2	-178.2	0	0	0	0	110.1	G292 G293 E294	S290-G292 PolarHBondContact O-N 2.94Å; S290-G293 PolarHBondContact O-N 3.38Å; S290-E294 PolarHBondContact N-O 3.31Å
291	N	62.5	Low	75.4	Confident	147 Å²	147	60.5 Å²	60.5	79%	0.786	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.5	177.3	-71.1	-12.3	0	0	0	112.9	G293	N291-G293 PolarHBondContact O-N 3.43Å
292	G	61.3	Low	75.9	Confident	69 Å²	69	64 Å²	64	71%	0.711	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	3.2	175.1	0	0	0	0	0	115.3	S290 E294	S290-G292 PolarHBondContact O-N 2.94Å; G292-E294 PolarHBondContact O-N 3.46Å
293	G	65.8	Low	76.2	Confident	63 Å²	63	64.6 Å²	64.6	65%	0.649	38%	0.381	S	S	*	.	S	Bend	trans	77.8	-6.8	-174	0	0	0	0	0	114.3	S290 N291 K295	S290-G293 PolarHBondContact O-N 3.38Å; N291-G293 PolarHBondContact O-N 3.43Å; G293-K295 PolarHBondContact O-N 3.02Å
294	E	70.6	Confident	76.7	Confident	145 Å²	145	64.8 Å²	64.8	68%	0.678	38%	0.381	S	S	*	.			trans	-64.8	124.5	173.7	-70.5	-170.1	162.2	0	0	110.5	S290 G292	S290-E294 PolarHBondContact N-O 3.31Å; G292-E294 PolarHBondContact O-N 3.46Å
295	K	78.8	Confident	77.3	Confident	130 Å²	130	63.5 Å²	63.5	57%	0.565	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.6	176.7	-172.9	179	179.4	-177.2	0	109.1	P287 I288 G293	P287-K295 HydrophobicContact CB-CD 4.37Å; P287-K295 VanDerWaalsContact CB-CE 3.48Å; P287-K295 HydrophobicContact CB-CG 3.9Å; P287-K295 HydrophobicContact CG-CD 4.31Å; P287-K295 HydrophobicContact CG-CG 4.31Å; I288-K295 CarbonylContact O-C 3.56Å; I288-K295 WeakPolarHBondContact O-CA 3.3Å; G293-K295 PolarHBondContact O-N 3.02Å
296	L	77.2	Confident	77.7	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.2	175.8	-70.3	156.4	0	0	0	108.4	Y147 P287 I288 Y301	Y147-L296 HydrophobicContact CD2-CD1 4.29Å; Y147-L296 HydrophobicContact CG-CD1 3.99Å; P287-L296 VanDerWaalsContact CA-O 3.32Å; P287-L296 WeakPolarHBondContact CA-O 3.43Å; P287-L296 WeakPolarHBondContact CB-O 3.33Å; I288-L296 HydrophobicContact CB-CB 4.32Å; I288-L296 PolarHBondContact N-O 2.71Å; I288-L296 PolarHBondContact O-N 2.76Å; L296-Y301 HydrophobicContact CD2-CE2 3.76Å; L296-Y301 WeakPolarHBondContact CD2-OH 3.48Å
297	N	81.1	Confident	77.9	Confident	55 Å²	55	60.3 Å²	60.3	29%	0.294	35%	0.348	S	S	.	.			trans	-83.8	131.5	173	-54.1	-53.8	0	0	0	109.1	P287 S299 D300	P287-N297 WeakPolarHBondContact CB-OD1 3.12Å; N297-S299 WeakPolarHBondContact CB-OG 3.41Å; N297-S299 PolarHBondContact O-N 3.04Å; N297-S299 VanDerWaalsContact O-N 3.16Å; N297-D300 PolarHBondContact ND2-OD2 3.09Å; N297-D300 WeakPolarHBondContact O-CB 3.46Å; N297-D300 PolarHBondContact O-N 3.05Å; N297-D300 VanDerWaalsContact O-N 3.07Å
298	S	79.5	Confident	77.8	Confident	12 Å²	12	59.2 Å²	59.2	8%	0.084	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-62.7	-23.9	178.3	-169.7	0	0	0	0	113.1	R80 D300 Y301	R80-S298 WeakPolarHBondContact CD-OG 3.49Å; R80-S298 PolarHBondContact NE-OG 3.01Å; R80-S298 PolarHBondContact NH1-OG 2.83Å; S298-D300 PolarHBondContact O-N 3.47Å; S298-Y301 PolarHBondContact O-N 3.29Å
299	S	80.7	Confident	77.5	Confident	102 Å²	102	65.4 Å²	65.4	71%	0.713	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.6	175.4	54.3	0	0	0	0	113.7	N297 Y301	N297-S299 WeakPolarHBondContact CB-OG 3.41Å; N297-S299 PolarHBondContact O-N 3.04Å; N297-S299 VanDerWaalsContact O-N 3.16Å; S299-Y301 PolarHBondContact O-N 3.33Å
300	D	85.1	Confident	77.2	Confident	80 Å²	80	64.8 Å²	64.8	43%	0.428	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-81.9	-6.7	-176.9	-55.3	-18.4	0	0	0	111.6	R78 N297 S298	R78-D300 WeakPolarHBondContact CB-O 3.33Å; N297-D300 PolarHBondContact ND2-OD2 3.09Å; N297-D300 WeakPolarHBondContact O-CB 3.46Å; N297-D300 PolarHBondContact O-N 3.05Å; N297-D300 VanDerWaalsContact O-N 3.07Å; S298-D300 PolarHBondContact O-N 3.47Å
301	Y	87.8	Confident	77.2	Confident	12 Å²	12	66 Å²	66	5%	0.047	37%	0.374	C	S	.	.	S	Bend	trans	-117.1	130.1	-175.8	-72.1	-98.2	0	0	0	110.6	F39 R78 F79 D146 L296 S298 S299 D303	F39-Y301 HydrophobicContact CB-CD1 4.18Å; F39-Y301 HydrophobicContact CB-CE1 3.75Å; F39-Y301 AromaticContact CD1-CD1 3.86Å; F39-Y301 HydrophobicContact CD1-CD1 3.86Å; F39-Y301 AromaticContact CD1-CD2 3.83Å; F39-Y301 HydrophobicContact CD1-CD2 3.83Å; F39-Y301 HydrophobicContact CD1-CE1 4.05Å; F39-Y301 HydrophobicContact CD1-CE2 4Å; F39-Y301 AromaticContact CD1-CG 3.77Å; F39-Y301 HydrophobicContact CD1-CG 3.77Å; F39-Y301 HydrophobicContact CE1-CD2 4.36Å; F39-Y301 HydrophobicContact CE1-CG 4.43Å; F39-Y301 HydrophobicContact CG-CE1 4.42Å; R78-Y301 HydrophobicContact CB-CD1 3.64Å; R78-Y301 HydrophobicContact CB-CE1 3.75Å; R78-Y301 HydrophobicContact CB-CG 4.13Å; R78-Y301 HydrophobicContact CG-CE1 4.22Å; F79-Y301 WeakPolarHBondContact O-CD1 3.15Å; D146-Y301 WeakPolarHBondContact OD2-CE1 3.3Å; D146-Y301 PolarHBondContact OD2-OH 3.31Å; L296-Y301 HydrophobicContact CD2-CE2 3.76Å; L296-Y301 WeakPolarHBondContact CD2-OH 3.48Å; S298-Y301 PolarHBondContact O-N 3.29Å; S299-Y301 PolarHBondContact O-N 3.33Å; Y301-D303 PolarHBondContact O-N 3.16Å
302	I	87	Confident	77.4	Confident	74 Å²	74	60.1 Å²	60.1	38%	0.379	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.1	172.8	-57.9	169.6	0	0	0	109	I71 R78 F79 R80 W304	I71-I302 HydrophobicContact CG2-CG2 3.57Å; R78-I302 WeakPolarHBondContact O-CB 3.36Å; R78-I302 WeakPolarHBondContact O-CG1 3.28Å; R78-I302 PolarHBondContact O-N 2.88Å; F79-I302 CarbonylContact C-O 3.51Å; F79-I302 WeakPolarHBondContact CA-O 3.36Å; F79-I302 HydrophobicContact CB-CB 4.41Å; F79-I302 VanDerWaalsContact CB-O 3.29Å; F79-I302 WeakPolarHBondContact CB-O 3.36Å; R80-I302 PolarHBondContact N-O 2.85Å; I302-W304 PolarHBondContact O-N 2.98Å
303	D	85.5	Confident	77.5	Confident	20 Å²	20	57 Å²	57	11%	0.107	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.5	-178.4	-167.9	-9	0	0	0	112.2	I71 R80 Y301 D305 R306 K313	I71-D303 WeakPolarHBondContact CD1-O 3.3Å; R80-D303 HydrophobicContact CG-CB 4.18Å; R80-D303 IonicContact CZ-OD2 3.69Å; R80-D303 IonicContact NE-OD1 2.63Å; R80-D303 IonicContact NE-OD2 2.89Å; R80-D303 PolarHBondContact NE-OD2 2.87Å; R80-D303 IonicContact NH2-OD2 2.75Å; R80-D303 PolarHBondContact NH2-OD2 3.22Å; Y301-D303 PolarHBondContact O-N 3.16Å; D303-D305 PolarHBondContact O-N 3.48Å; D303-D305 WeakPolarHBondContact OD1-CB 3.36Å; D303-D305 PolarHBondContact OD1-N 3.47Å; D303-R306 HydrophobicContact CB-CB 4.33Å; D303-R306 PolarHBondContact O-N 3.3Å; D303-K313 IonicContact OD1-NZ 3.82Å; D303-K313 PolarHBondContact OD1-NZ 3.23Å; D303-K313 WeakPolarHBondContact OD2-CE 3.49Å; D303-K313 IonicContact OD2-NZ 2.65Å; D303-K313 PolarHBondContact OD2-NZ 3.09Å
304	W	87	Confident	77.2	Confident	12 Å²	12	57.4 Å²	57.4	5%	0.045	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.9	179.1	-77.5	26.4	0	0	0	114	L55 L73 F79 R80 I81 R104 V107 I302	L55-W304 HydrophobicContact CD1-CD2 3.85Å; L55-W304 HydrophobicContact CD1-CE3 4.25Å; L55-W304 HydrophobicContact CD1-CH2 3.81Å; L55-W304 HydrophobicContact CD1-CZ2 3.36Å; L55-W304 HydrophobicContact CD1-CZ3 4.22Å; L55-W304 HydrophobicContact CD2-CH2 3.96Å; L55-W304 HydrophobicContact CD2-CZ2 4.35Å; L55-W304 HydrophobicContact CD2-CZ3 4.16Å; L73-W304 HydrophobicContact CD1-CH2 4.24Å; L73-W304 HydrophobicContact CD1-CZ2 3.6Å; F79-W304 HydrophobicContact CB-CG 4.38Å; F79-W304 HydrophobicContact CB-CZ2 4.31Å; F79-W304 AromaticContact CD1-CZ2 3.67Å; F79-W304 HydrophobicContact CD1-CZ2 3.67Å; F79-W304 AromaticContact CD2-CD2 3.79Å; F79-W304 HydrophobicContact CD2-CD2 3.79Å; F79-W304 AromaticContact CD2-CE2 3.39Å; F79-W304 HydrophobicContact CD2-CE3 4.4Å; F79-W304 HydrophobicContact CD2-CG 4.1Å; F79-W304 HydrophobicContact CD2-CH2 4.26Å; F79-W304 AromaticContact CD2-CZ2 3.6Å; F79-W304 HydrophobicContact CD2-CZ2 3.6Å; F79-W304 AromaticContact CD2-NE1 3.65Å; F79-W304 HydrophobicContact CE1-CH2 4.29Å; F79-W304 AromaticContact CE1-CZ2 3.75Å; F79-W304 HydrophobicContact CE1-CZ2 3.75Å; F79-W304 HydrophobicContact CE2-CD2 4.23Å; F79-W304 AromaticContact CE2-CE2 3.92Å; F79-W304 HydrophobicContact CE2-CE3 4.41Å; F79-W304 AromaticContact CE2-CH2 3.93Å; F79-W304 HydrophobicContact CE2-CH2 3.93Å; F79-W304 AromaticContact CE2-CZ2 3.69Å; F79-W304 HydrophobicContact CE2-CZ2 3.69Å; F79-W304 HydrophobicContact CE2-CZ3 4.29Å; F79-W304 HydrophobicContact CG-CD2 4.27Å; F79-W304 AromaticContact CG-CE2 3.45Å; F79-W304 VanDerWaalsContact CG-CE2 3.45Å; F79-W304 AromaticContact CG-CZ2 3.58Å; F79-W304 HydrophobicContact CG-CZ2 3.58Å; F79-W304 AromaticContact CG-NE1 3.36Å; F79-W304 AromaticContact CZ-CH2 3.94Å; F79-W304 HydrophobicContact CZ-CH2 3.94Å; F79-W304 AromaticContact CZ-CZ2 3.77Å; F79-W304 HydrophobicContact CZ-CZ2 3.77Å; R80-W304 PolarHBondContact O-N 2.86Å; I81-W304 HydrophobicContact CB-CB 4.29Å; I81-W304 HydrophobicContact CD1-CE3 3.83Å; I81-W304 HydrophobicContact CD1-CZ3 4.45Å; I81-W304 HydrophobicContact CG1-CB 4.31Å; R104-W304 HydrophobicContact CG-CE3 4.49Å; R104-W304 PolarHBondContact NH1-O 3.08Å; V107-W304 HydrophobicContact CB-CH2 4.24Å; V107-W304 HydrophobicContact CB-CZ3 3.89Å; V107-W304 HydrophobicContact CG1-CH2 4.07Å; V107-W304 HydrophobicContact CG1-CZ3 3.84Å; V107-W304 HydrophobicContact CG2-CH2 3.88Å; V107-W304 HydrophobicContact CG2-CZ3 3.97Å; I302-W304 PolarHBondContact O-N 2.98Å
305	D	86.6	Confident	77	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.8	176.3	-74.9	-41.6	0	0	0	112.2	I82 R104 Y192 D303 F307 K313	I82-D305 VanDerWaalsContact CB-OD2 3.27Å; I82-D305 WeakPolarHBondContact CB-OD2 3.31Å; I82-D305 WeakPolarHBondContact CG1-OD2 3.47Å; I82-D305 PolarHBondContact N-OD2 3.15Å; R104-D305 IonicContact CZ-OD1 3.2Å; R104-D305 IonicContact NH1-OD1 3.51Å; R104-D305 PolarHBondContact NH1-OD1 3.29Å; R104-D305 IonicContact NH2-OD1 3.89Å; R104-D305 PolarHBondContact NH2-OD1 2.99Å; Y192-D305 HydrophobicContact CE2-CB 4.09Å; Y192-D305 WeakPolarHBondContact CE2-O 3.22Å; Y192-D305 VanDerWaalsContact OH-CA 3.27Å; Y192-D305 WeakPolarHBondContact OH-CA 3.29Å; Y192-D305 WeakPolarHBondContact OH-CB 3.17Å; Y192-D305 PolarHBondContact OH-O 3.39Å; Y192-D305 PolarHBondContact OH-OD1 2.9Å; D303-D305 PolarHBondContact O-N 3.48Å; D303-D305 WeakPolarHBondContact OD1-CB 3.36Å; D303-D305 PolarHBondContact OD1-N 3.47Å; D305-F307 WeakPolarHBondContact O-CD1 3.36Å; D305-F307 PolarHBondContact O-N 3.13Å; D305-K313 VanDerWaalsContact CB-NZ 3.34Å; D305-K313 IonicContact OD2-NZ 3.42Å
306	R	83.8	Confident	76.6	Confident	127 Å²	127	50.3 Å²	50.3	48%	0.479	27%	0.268	S	S	.	.			trans	-72.5	130.1	173.1	-170.3	175.7	175.4	-156.7	-6.5	110	D303	D303-R306 HydrophobicContact CB-CB 4.33Å; D303-R306 PolarHBondContact O-N 3.3Å
307	F	81.7	Confident	76.2	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.035	28%	0.282	C	S	.	.			trans	-143	144.3	172.1	60.1	-96.2	0	0	0	110.3	Y192 E195 R196 W199 D305 H312	Y192-F307 AromaticContact CD2-CE1 3.99Å; Y192-F307 HydrophobicContact CD2-CE1 3.99Å; Y192-F307 HydrophobicContact CD2-CZ 4.5Å; Y192-F307 HydrophobicContact CE1-CE1 4.15Å; Y192-F307 HydrophobicContact CE2-CD1 4.07Å; Y192-F307 AromaticContact CE2-CE1 3.36Å; Y192-F307 HydrophobicContact CE2-CE1 3.36Å; Y192-F307 HydrophobicContact CE2-CZ 4.25Å; Y192-F307 AromaticContact CZ-CD1 3.97Å; Y192-F307 AromaticContact CZ-CE1 3.44Å; Y192-F307 VanDerWaalsContact CZ-CE1 3.44Å; E195-F307 HydrophobicContact CB-CE2 4.27Å; E195-F307 HydrophobicContact CB-CZ 3.99Å; R196-F307 HydrophobicContact CB-CD1 4.2Å; R196-F307 HydrophobicContact CB-CE1 3.57Å; R196-F307 HydrophobicContact CB-CE2 4.21Å; R196-F307 HydrophobicContact CB-CZ 3.61Å; R196-F307 HydrophobicContact CG-CD1 4.05Å; R196-F307 HydrophobicContact CG-CE1 3.93Å; R196-F307 HydrophobicContact CG-CG 4.48Å; R196-F307 HydrophobicContact CG-CZ 4.32Å; W199-F307 HydrophobicContact CB-CD2 3.66Å; W199-F307 HydrophobicContact CB-CE2 3.8Å; W199-F307 HydrophobicContact CD2-CB 4.2Å; W199-F307 AromaticContact CD2-CD2 3.9Å; W199-F307 HydrophobicContact CD2-CD2 3.9Å; W199-F307 HydrophobicContact CD2-CG 4.44Å; W199-F307 HydrophobicContact CE3-CB 4.14Å; W199-F307 HydrophobicContact CE3-CD2 4.21Å; W199-F307 HydrophobicContact CE3-CG 4.43Å; W199-F307 AromaticContact CG-CD2 3.63Å; W199-F307 HydrophobicContact CG-CD2 3.63Å; W199-F307 HydrophobicContact CG-CE2 4.26Å; W199-F307 HydrophobicContact CZ3-CB 4.36Å; D305-F307 WeakPolarHBondContact O-CD1 3.36Å; D305-F307 PolarHBondContact O-N 3.13Å; F307-H312 AromaticContact CD2-CD2 3.84Å; F307-H312 AromaticContact CE2-CD2 3.15Å; F307-H312 WeakPolarHBondContact CE2-CD2 3.33Å; F307-H312 AromaticContact CE2-CG 3.96Å; F307-H312 AromaticContact CE2-NE2 3.52Å; F307-H312 HydrophobicContact CZ-CB 4.23Å; F307-H312 AromaticContact CZ-CD2 3.58Å; F307-H312 AromaticContact CZ-CG 4Å
308	G	76.3	Confident	75.4	Confident	20 Å²	20	55.3 Å²	55.3	21%	0.206	30%	0.298	C	S	.	.	S	Bend	trans	64.1	-173.7	-174.2	0	0	0	0	0	113.8	W199	W199-G308 VanDerWaalsContact NE1-CA 3.27Å
309	D	70.5	Confident	74.7	Confident	144 Å²	144	62.1 Å²	62.1	77%	0.77	33%	0.328	S	S	*	.	S	Bend	trans	-82.7	-22.1	-176.6	-53.7	-34	0	0	0	112.1
310	I	63.9	Low	74.4	Confident	92 Å²	92	57.9 Å²	57.9	47%	0.472	30%	0.298	S	S	.	.	S	Bend	trans	-92.9	127.3	-175.2	-60.3	173.6	0	0	0	109	H312 M315	I310-H312 VanDerWaalsContact C-N 3.29Å; I310-H312 PolarHBondContact O-CD2 3.27Å; I310-H312 PolarHBondContact O-N 2.86Å; I310-M315 HydrophobicContact CG2-CG 4.39Å; I310-M315 HydrophobicContact CG2-SD 3.39Å; I310-M315 WeakPolarHBondContact CG2-SD 3.41Å
311	D	69.1	Low	74.4	Confident	58 Å²	58	57 Å²	57	31%	0.31	29%	0.291	S	S	.	.			trans	-76.6	87.4	170.1	-171	0.2	0	0	0	110.2	K313 T314	D311-K313 PolarHBondContact O-N 3.38Å; D311-K313 VanDerWaalsContact O-N 3.13Å; D311-K313 VanDerWaalsContact OD1-CB 3.31Å; D311-K313 WeakPolarHBondContact OD1-CB 3.31Å; D311-K313 PolarHBondContact OD1-N 3.09Å; D311-T314 PolarHBondContact O-N 2.94Å; D311-T314 PolarHBondContact O-OG1 3.4Å
312	H	65.6	Low	74.5	Confident	22 Å²	22	56.9 Å²	56.9	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-55.8	-31.6	178.9	-68.9	-74.2	0	0	0	111.4	W191 E195 F307 I310 T314 M315 F316	W191-H312 HydrophobicContact CH2-CB 3.68Å; W191-H312 WeakPolarHBondContact CH2-O 3.42Å; W191-H312 VanDerWaalsContact CZ3-C 3.44Å; W191-H312 HydrophobicContact CZ3-CB 3.67Å; W191-H312 WeakPolarHBondContact CZ3-O 3.47Å; E195-H312 HydrophobicContact CB-CB 4.29Å; E195-H312 HydrophobicContact CG-CB 4.49Å; E195-H312 IonicContact OE2-CE1 2.9Å; E195-H312 IonicContact OE2-ND1 3.87Å; F307-H312 AromaticContact CD2-CD2 3.84Å; F307-H312 AromaticContact CE2-CD2 3.15Å; F307-H312 WeakPolarHBondContact CE2-CD2 3.33Å; F307-H312 AromaticContact CE2-CG 3.96Å; F307-H312 AromaticContact CE2-NE2 3.52Å; F307-H312 HydrophobicContact CZ-CB 4.23Å; F307-H312 AromaticContact CZ-CD2 3.58Å; F307-H312 AromaticContact CZ-CG 4Å; I310-H312 VanDerWaalsContact C-N 3.29Å; I310-H312 PolarHBondContact O-CD2 3.27Å; I310-H312 PolarHBondContact O-N 2.86Å; H312-T314 PolarHBondContact O-N 3.18Å; H312-T314 VanDerWaalsContact O-N 3.16Å; H312-M315 PolarHBondContact O-N 3.48Å; H312-F316 PolarHBondContact O-N 3.3Å
313	K	64.7	Low	74.8	Confident	3 Å²	3	53.6 Å²	53.6	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-31.5	-176.6	-64.6	-172.8	175.9	-176.9	0	113.9	Y188 Y192 D303 D305 D311	Y188-K313 VanDerWaalsContact OH-CA 3.31Å; Y188-K313 WeakPolarHBondContact OH-CA 2.81Å; Y188-K313 WeakPolarHBondContact OH-CB 3.07Å; Y188-K313 WeakPolarHBondContact OH-CG 3.31Å; Y188-K313 PolarHBondContact OH-O 3.42Å; Y192-K313 HydrophobicContact CD2-CG 4.12Å; Y192-K313 HydrophobicContact CE2-CG 4.28Å; D303-K313 IonicContact OD1-NZ 3.82Å; D303-K313 PolarHBondContact OD1-NZ 3.23Å; D303-K313 WeakPolarHBondContact OD2-CE 3.49Å; D303-K313 IonicContact OD2-NZ 2.65Å; D303-K313 PolarHBondContact OD2-NZ 3.09Å; D305-K313 VanDerWaalsContact CB-NZ 3.34Å; D305-K313 IonicContact OD2-NZ 3.42Å; D311-K313 PolarHBondContact O-N 3.38Å; D311-K313 VanDerWaalsContact O-N 3.13Å; D311-K313 VanDerWaalsContact OD1-CB 3.31Å; D311-K313 WeakPolarHBondContact OD1-CB 3.31Å; D311-K313 PolarHBondContact OD1-N 3.09Å
314	T	59.5	Low	75.1	Confident	72 Å²	72	56.3 Å²	56.3	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-85	-19.5	177.4	59	0	0	0	0	112.5	D311 H312	D311-T314 PolarHBondContact O-N 2.94Å; D311-T314 PolarHBondContact O-OG1 3.4Å; H312-T314 PolarHBondContact O-N 3.18Å; H312-T314 VanDerWaalsContact O-N 3.16Å
315	M	66.2	Low	75.5	Confident	111 Å²	111	56 Å²	56	55%	0.547	28%	0.282	S	S	.	.	H	α-helix	trans	-86.2	-3	-179.5	-79.5	-165.3	73.7	0	0	114.4	W191 I310 H312 P317	W191-M315 HydrophobicContact CH2-CB 3.78Å; W191-M315 HydrophobicContact CZ2-CB 4.08Å; I310-M315 HydrophobicContact CG2-CG 4.39Å; I310-M315 HydrophobicContact CG2-SD 3.39Å; I310-M315 WeakPolarHBondContact CG2-SD 3.41Å; H312-M315 PolarHBondContact O-N 3.48Å; M315-P317 WeakPolarHBondContact O-CD 3.21Å
316	F	70.3	Confident	75.9	Confident	15 Å²	15	56.1 Å²	56.1	7%	0.066	28%	0.283	C	S	.	.			trans	-56.8	113.6	178.8	175.6	-108.9	0	0	0	109.9	L187 Y188 W191 I279 H312 L318 C320	L187-F316 HydrophobicContact CB-CZ 4.45Å; L187-F316 HydrophobicContact CD2-CZ 3.91Å; L187-F316 HydrophobicContact CG-CE2 4.09Å; L187-F316 HydrophobicContact CG-CZ 3.86Å; Y188-F316 HydrophobicContact CD2-CB 3.59Å; Y188-F316 AromaticContact CD2-CD1 3.7Å; Y188-F316 HydrophobicContact CD2-CD1 3.7Å; Y188-F316 AromaticContact CD2-CD2 3.98Å; Y188-F316 HydrophobicContact CD2-CD2 3.98Å; Y188-F316 HydrophobicContact CD2-CE1 4.36Å; Y188-F316 AromaticContact CD2-CG 3.46Å; Y188-F316 HydrophobicContact CD2-CG 3.46Å; Y188-F316 VanDerWaalsContact CD2-CG 3.46Å; Y188-F316 HydrophobicContact CE2-CB 3.77Å; Y188-F316 HydrophobicContact CE2-CG 4.17Å; Y188-F316 HydrophobicContact CG-CD2 4.5Å; Y188-F316 HydrophobicContact CG-CG 4.36Å; W191-F316 HydrophobicContact CB-CD2 3.7Å; W191-F316 HydrophobicContact CB-CE2 3.82Å; W191-F316 HydrophobicContact CD2-CB 4.49Å; W191-F316 AromaticContact CD2-CD2 3.88Å; W191-F316 HydrophobicContact CD2-CD2 3.88Å; W191-F316 HydrophobicContact CE3-CB 4.18Å; W191-F316 HydrophobicContact CE3-CD2 4.11Å; W191-F316 AromaticContact CG-CD2 3.69Å; W191-F316 HydrophobicContact CG-CD2 3.69Å; W191-F316 HydrophobicContact CG-CE2 4.17Å; W191-F316 HydrophobicContact CZ3-CB 4.45Å; I279-F316 HydrophobicContact CD1-CD1 4.23Å; I279-F316 HydrophobicContact CD1-CE1 4.1Å; H312-F316 PolarHBondContact O-N 3.3Å; F316-L318 PolarHBondContact O-N 3.37Å; F316-C320 HydrophobicContact CE2-CB 3.95Å; F316-C320 HydrophobicContact CZ-CB 4.21Å
317	P	67.6	Low	76.5	Confident	57 Å²	57	50.1 Å²	50.1	37%	0.37	26%	0.26	S	S	.	.			trans	-73.9	117.6	178.3	23.4	-19.6	0	0	0	107.4	M315 Q319 C320	M315-P317 WeakPolarHBondContact O-CD 3.21Å; P317-Q319 PolarHBondContact O-N 3.33Å; P317-C320 HydrophobicContact CG-CB 3.99Å; P317-C320 WeakPolarHBondContact O-CB 3.05Å; P317-C320 PolarHBondContact O-N 3.24Å
318	L	64.3	Low	77.2	Confident	120 Å²	120	51.2 Å²	51.2	63%	0.628	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-23.5	171.9	-81.8	143	0	0	0	112.1	I279 F316 C320	I279-L318 HydrophobicContact CD1-CD2 3.73Å; F316-L318 PolarHBondContact O-N 3.37Å; L318-C320 VanDerWaalsContact C-N 3.3Å
319	Q	66.1	Low	78.2	Confident	155 Å²	155	50.2 Å²	50.2	72%	0.724	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	8.7	174.4	-62.5	179.8	-11	0	0	113.8	P317 K321	P317-Q319 PolarHBondContact O-N 3.33Å; Q319-K321 PolarHBondContact O-N 3.32Å
320	C	73.9	Confident	79.5	Confident	13 Å²	13	43.4 Å²	43.4	9%	0.088	22%	0.22	C	C	.	.			trans	-60.3	110.7	179.2	-168.1	0	0	0	0	110	L187 F316 P317 L318 P322	L187-C320 HydrophobicContact CD2-CB 4.33Å; L187-C320 VanDerWaalsContact CD2-O 3.29Å; L187-C320 WeakPolarHBondContact CD2-O 3.29Å; F316-C320 HydrophobicContact CE2-CB 3.95Å; F316-C320 HydrophobicContact CZ-CB 4.21Å; P317-C320 HydrophobicContact CG-CB 3.99Å; P317-C320 WeakPolarHBondContact O-CB 3.05Å; P317-C320 PolarHBondContact O-N 3.24Å; L318-C320 VanDerWaalsContact C-N 3.3Å; C320-P322 WeakPolarHBondContact O-CD 3.5Å
321	K	85.9	Confident	81.1	Confident	62 Å²	62	39.3 Å²	39.3	27%	0.27	20%	0.199	S	C	.	.			trans	-76.9	122.8	179.3	-61.3	-179.2	179.7	175.9	0	109.7	Q319 L323 R324 L325 D393 N394	Q319-K321 PolarHBondContact O-N 3.32Å; K321-L323 PolarHBondContact O-N 3.19Å; K321-R324 HydrophobicContact CB-CB 4.13Å; K321-R324 VanDerWaalsContact O-CB 3.31Å; K321-R324 WeakPolarHBondContact O-CB 3.46Å; K321-R324 PolarHBondContact O-N 3.49Å; K321-L325 PolarHBondContact O-N 3.27Å; K321-L325 VanDerWaalsContact O-N 3.12Å; K321-D393 PolarHBondContact NZ-O 3.17Å; K321-N394 WeakPolarHBondContact CD-O 3.4Å; K321-N394 WeakPolarHBondContact CE-O 3.12Å; K321-N394 PolarHBondContact NZ-O 2.98Å
322	P	89.7	Confident	82.5	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-53.8	-40.5	-178.5	-29.6	36.7	0	0	0	113.2	L187 V243 Y247 E250 C320 R324 L325 M326	L187-P322 HydrophobicContact CD1-CB 4.25Å; L187-P322 HydrophobicContact CD1-CG 4.06Å; L187-P322 HydrophobicContact CD2-CG 4.18Å; V243-P322 HydrophobicContact CG2-CB 4.27Å; V243-P322 VanDerWaalsContact CG2-O 3.27Å; V243-P322 WeakPolarHBondContact CG2-O 3.31Å; Y247-P322 HydrophobicContact CD2-CB 4.39Å; E250-P322 WeakPolarHBondContact OE2-CD 3.32Å; E250-P322 VanDerWaalsContact OE2-CG 3.22Å; E250-P322 WeakPolarHBondContact OE2-CG 3.33Å; C320-P322 WeakPolarHBondContact O-CD 3.5Å; P322-R324 PolarHBondContact O-N 2.74Å; P322-L325 PolarHBondContact O-N 2.88Å; P322-M326 VanDerWaalsContact O-CB 3.28Å; P322-M326 WeakPolarHBondContact O-CB 3.45Å; P322-M326 PolarHBondContact O-N 2.97Å
323	L	91.8	Very high	84.1	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-42.8	177.3	-174.8	64.8	0	0	0	112.5	Y247 K321 M326 F327 L356 Q360 F395	Y247-L323 HydrophobicContact CD2-CB 4.13Å; Y247-L323 HydrophobicContact CD2-CD1 4.34Å; Y247-L323 HydrophobicContact CE2-CB 3.97Å; Y247-L323 HydrophobicContact CE2-CD1 3.78Å; Y247-L323 HydrophobicContact CE2-CG 4.36Å; K321-L323 PolarHBondContact O-N 3.19Å; L323-M326 PolarHBondContact O-N 2.87Å; L323-F327 WeakPolarHBondContact O-CB 3.37Å; L323-F327 PolarHBondContact O-N 2.81Å; L323-L356 HydrophobicContact CD1-CB 4.12Å; L323-L356 HydrophobicContact CD1-CD1 4.37Å; L323-Q360 VanDerWaalsContact CD2-CD 3.46Å; L323-Q360 HydrophobicContact CD2-CG 3.5Å; L323-F395 HydrophobicContact CB-CD1 4.14Å; L323-F395 HydrophobicContact CD2-CB 4.47Å; L323-F395 HydrophobicContact CD2-CD1 3.49Å; L323-F395 VanDerWaalsContact CD2-CD1 3.49Å; L323-F395 HydrophobicContact CD2-CD2 3.94Å; L323-F395 HydrophobicContact CD2-CE1 3.54Å; L323-F395 HydrophobicContact CD2-CE2 4.01Å; L323-F395 HydrophobicContact CD2-CG 3.7Å; L323-F395 HydrophobicContact CD2-CZ 3.8Å; L323-F395 HydrophobicContact CG-CD1 4.34Å
324	R	93.7	Very high	85.6	Confident	78 Å²	78	36.5 Å²	36.5	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-60.5	-50.3	177.4	-169.5	-166.7	-177.1	-172	-11.9	110.7	K321 P322 M326 F327 I328 F395 E396 I397	K321-R324 HydrophobicContact CB-CB 4.13Å; K321-R324 VanDerWaalsContact O-CB 3.31Å; K321-R324 WeakPolarHBondContact O-CB 3.46Å; K321-R324 PolarHBondContact O-N 3.49Å; P322-R324 PolarHBondContact O-N 2.74Å; R324-M326 VanDerWaalsContact C-N 3.31Å; R324-M326 PolarHBondContact O-N 3.45Å; R324-F327 WeakPolarHBondContact O-CB 3.4Å; R324-F327 PolarHBondContact O-N 3.48Å; R324-I328 HydrophobicContact CG-CD1 4.08Å; R324-I328 WeakPolarHBondContact O-CG1 3.31Å; R324-I328 PolarHBondContact O-N 3.06Å; R324-F395 WeakPolarHBondContact CB-O 3.49Å; R324-F395 WeakPolarHBondContact CD-O 3.34Å; R324-F395 VanDerWaalsContact CG-O 3.23Å; R324-F395 WeakPolarHBondContact CG-O 3.49Å; R324-E396 IonicContact CZ-OE2 3.32Å; R324-E396 PolarHBondContact NE-O 3.17Å; R324-E396 IonicContact NH1-OE2 3.89Å; R324-E396 PolarHBondContact NH1-OE2 3.02Å; R324-I397 HydrophobicContact CB-CG1 4.45Å; R324-I397 HydrophobicContact CG-CG1 4.17Å
325	L	94.4	Very high	87.5	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-38.7	-178.8	-178.5	62.5	0	0	0	110.9	L187 A190 W191 K194 V243 K321 P322 I328 L329	L187-L325 HydrophobicContact CD1-CD2 3.8Å; A190-L325 HydrophobicContact CB-CD2 3.87Å; W191-L325 HydrophobicContact CB-CD2 4.01Å; K194-L325 HydrophobicContact CB-CD1 4.22Å; K194-L325 HydrophobicContact CG-CD1 4.11Å; V243-L325 HydrophobicContact CB-CD2 4.38Å; V243-L325 HydrophobicContact CG2-CB 3.93Å; V243-L325 HydrophobicContact CG2-CD2 3.93Å; V243-L325 HydrophobicContact CG2-CG 4Å; K321-L325 PolarHBondContact O-N 3.27Å; K321-L325 VanDerWaalsContact O-N 3.12Å; P322-L325 PolarHBondContact O-N 2.88Å; L325-I328 PolarHBondContact O-N 3Å; L325-L329 HydrophobicContact CD1-CD1 4.05Å; L325-L329 HydrophobicContact CD1-CG 4.27Å; L325-L329 HydrophobicContact CD2-CD1 4.44Å; L325-L329 HydrophobicContact CG-CD1 3.8Å; L325-L329 HydrophobicContact CG-CG 4.45Å; L325-L329 VanDerWaalsContact O-CB 3.28Å; L325-L329 WeakPolarHBondContact O-CB 3.2Å; L325-L329 VanDerWaalsContact O-CG 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.36Å; L325-L329 PolarHBondContact O-N 2.89Å
326	M	95.5	Very high	88.9	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-44.6	174.1	-170	155.4	101.6	0	0	112.2	L240 V243 S244 Y247 P322 L323 R324 L329 L330 L356	L240-M326 HydrophobicContact CD1-CG 3.88Å; V243-M326 HydrophobicContact CG1-CB 3.77Å; V243-M326 HydrophobicContact CG1-CG 4.01Å; V243-M326 HydrophobicContact CG1-SD 4.44Å; V243-M326 HydrophobicContact CG2-CB 4.19Å; S244-M326 PolarHBondContact OG-SD 3.37Å; Y247-M326 HydrophobicContact CD1-CE 3.94Å; Y247-M326 HydrophobicContact CD1-SD 4.49Å; Y247-M326 HydrophobicContact CE1-CE 4.25Å; Y247-M326 HydrophobicContact CG-CE 4.32Å; P322-M326 VanDerWaalsContact O-CB 3.28Å; P322-M326 WeakPolarHBondContact O-CB 3.45Å; P322-M326 PolarHBondContact O-N 2.97Å; L323-M326 PolarHBondContact O-N 2.87Å; R324-M326 VanDerWaalsContact C-N 3.31Å; R324-M326 PolarHBondContact O-N 3.45Å; M326-L329 PolarHBondContact O-N 3.37Å; M326-L330 HydrophobicContact CG-CD1 4.34Å; M326-L330 WeakPolarHBondContact O-CG 3.23Å; M326-L330 PolarHBondContact O-N 2.89Å; M326-L356 HydrophobicContact CE-CD1 3.34Å; M326-L356 HydrophobicContact CE-CD2 3.42Å; M326-L356 VanDerWaalsContact CE-CD2 3.42Å; M326-L356 HydrophobicContact CE-CG 4.01Å; M326-L356 HydrophobicContact CG-CD1 4.04Å
327	F	95.7	Very high	90.2	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-47.8	175.3	-174.5	-88.1	0	0	0	111.7	L323 R324 L329 L330 S331 A353 L357 I397 D401 I402 V405	L323-F327 WeakPolarHBondContact O-CB 3.37Å; L323-F327 PolarHBondContact O-N 2.81Å; R324-F327 WeakPolarHBondContact O-CB 3.4Å; R324-F327 PolarHBondContact O-N 3.48Å; F327-L329 VanDerWaalsContact C-N 3.35Å; F327-L329 PolarHBondContact O-N 3.25Å; F327-L330 PolarHBondContact O-N 3.08Å; F327-S331 PolarHBondContact O-N 2.82Å; F327-S331 VanDerWaalsContact O-N 3.08Å; F327-A353 HydrophobicContact CD2-CB 3.83Å; F327-A353 VanDerWaalsContact CD2-O 3.29Å; F327-A353 WeakPolarHBondContact CD2-O 3.35Å; F327-A353 HydrophobicContact CE2-CB 3.82Å; F327-A353 VanDerWaalsContact CE2-O 3.29Å; F327-A353 WeakPolarHBondContact CE2-O 3.38Å; F327-A353 HydrophobicContact CG-CB 4.48Å; F327-A353 HydrophobicContact CZ-CB 4.48Å; F327-L357 HydrophobicContact CD2-CD1 4.37Å; F327-L357 HydrophobicContact CD2-CD2 4.09Å; F327-L357 HydrophobicContact CD2-CG 4.08Å; F327-L357 HydrophobicContact CE2-CD1 3.58Å; F327-L357 HydrophobicContact CE2-CD2 4.13Å; F327-L357 HydrophobicContact CE2-CG 3.72Å; F327-L357 HydrophobicContact CZ-CD1 4.09Å; F327-I397 HydrophobicContact CB-CD1 4.08Å; F327-I397 HydrophobicContact CD1-CG2 4.15Å; F327-I397 HydrophobicContact CD2-CD1 4.34Å; F327-I397 HydrophobicContact CE1-CG2 4.03Å; F327-I397 HydrophobicContact CG-CD1 4.07Å; F327-I397 HydrophobicContact CZ-CG2 4.37Å; F327-D401 HydrophobicContact CD1-CB 4.37Å; F327-D401 HydrophobicContact CE1-CB 3.95Å; F327-I402 HydrophobicContact CZ-CG1 4.17Å; F327-V405 HydrophobicContact CD1-CG2 4.48Å; F327-V405 HydrophobicContact CE1-CG2 3.64Å; F327-V405 HydrophobicContact CE2-CG2 4.43Å; F327-V405 HydrophobicContact CZ-CB 4.18Å; F327-V405 HydrophobicContact CZ-CG2 3.62Å
328	I	96.5	Very high	91.6	Very high	30 Å²	30	27.6 Å²	27.6	15%	0.154	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-42.2	177	-68.5	167.8	0	0	0	111	R324 L325 S331 N332	R324-I328 HydrophobicContact CG-CD1 4.08Å; R324-I328 WeakPolarHBondContact O-CG1 3.31Å; R324-I328 PolarHBondContact O-N 3.06Å; L325-I328 PolarHBondContact O-N 3Å; I328-S331 VanDerWaalsContact O-CB 3.31Å; I328-S331 WeakPolarHBondContact O-CB 3.29Å; I328-S331 PolarHBondContact O-N 3.16Å; I328-N332 WeakPolarHBondContact O-CB 3.39Å; I328-N332 VanDerWaalsContact O-CG 3.31Å; I328-N332 PolarHBondContact O-N 2.97Å
329	L	98	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.1	-41.7	-179.4	-80.7	167.6	0	0	0	112.6	K194 Y236 A239 L240 V243 L325 M326 F327 S331 N332 V333	K194-L329 HydrophobicContact CB-CD2 3.86Å; K194-L329 HydrophobicContact CB-CG 4.48Å; K194-L329 HydrophobicContact CG-CD2 3.99Å; K194-L329 HydrophobicContact CG-CG 4.46Å; Y236-L329 HydrophobicContact CD1-CD2 3.87Å; Y236-L329 HydrophobicContact CG-CD2 4.44Å; A239-L329 HydrophobicContact CB-CD1 3.6Å; A239-L329 HydrophobicContact CB-CD2 3.55Å; A239-L329 HydrophobicContact CB-CG 4.24Å; L240-L329 HydrophobicContact CB-CB 4.32Å; L240-L329 HydrophobicContact CD1-CB 4.12Å; V243-L329 HydrophobicContact CB-CD1 4.23Å; V243-L329 HydrophobicContact CG1-CD1 3.72Å; L325-L329 HydrophobicContact CD1-CD1 4.05Å; L325-L329 HydrophobicContact CD1-CG 4.27Å; L325-L329 HydrophobicContact CD2-CD1 4.44Å; L325-L329 HydrophobicContact CG-CD1 3.8Å; L325-L329 HydrophobicContact CG-CG 4.45Å; L325-L329 VanDerWaalsContact O-CB 3.28Å; L325-L329 WeakPolarHBondContact O-CB 3.2Å; L325-L329 VanDerWaalsContact O-CG 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.36Å; L325-L329 PolarHBondContact O-N 2.89Å; M326-L329 PolarHBondContact O-N 3.37Å; F327-L329 VanDerWaalsContact C-N 3.35Å; F327-L329 PolarHBondContact O-N 3.25Å; L329-S331 VanDerWaalsContact C-N 3.26Å; L329-S331 PolarHBondContact O-N 2.98Å; L329-N332 PolarHBondContact O-N 2.88Å; L329-N332 VanDerWaalsContact O-N 3.13Å; L329-V333 WeakPolarHBondContact O-CB 3.28Å; L329-V333 VanDerWaalsContact O-CG2 3.31Å; L329-V333 WeakPolarHBondContact O-CG2 3.12Å; L329-V333 PolarHBondContact O-N 2.92Å
330	L	97.4	Very high	94.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-57.3	-44	171	-77.3	165.8	0	0	0	111.1	L240 M326 F327 N332 A334 N349 H352 A353 L356	L240-L330 HydrophobicContact CD1-CD2 4.16Å; L240-L330 HydrophobicContact CD1-CG 3.91Å; L240-L330 HydrophobicContact CD2-CD2 3.73Å; L240-L330 HydrophobicContact CD2-CG 4.3Å; M326-L330 HydrophobicContact CG-CD1 4.34Å; M326-L330 WeakPolarHBondContact O-CG 3.23Å; M326-L330 PolarHBondContact O-N 2.89Å; F327-L330 PolarHBondContact O-N 3.08Å; L330-N332 PolarHBondContact O-N 2.89Å; L330-A334 VanDerWaalsContact O-CB 3.28Å; L330-A334 WeakPolarHBondContact O-CB 3.29Å; L330-A334 PolarHBondContact O-N 3.15Å; L330-N349 HydrophobicContact CD2-CB 4.44Å; L330-H352 HydrophobicContact CD1-CB 4.46Å; L330-H352 HydrophobicContact CD2-CB 4.37Å; L330-A353 HydrophobicContact CB-CB 3.87Å; L330-A353 HydrophobicContact CD1-CB 4.03Å; L330-L356 HydrophobicContact CD1-CD1 3.43Å; L330-L356 VanDerWaalsContact CD1-CD1 3.43Å; L330-L356 HydrophobicContact CD1-CG 4.46Å
331	S	97.7	Very high	95.2	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-44.7	174.5	-164.8	0	0	0	0	111.9	F327 I328 L329 A334 L335 V405 R408	F327-S331 PolarHBondContact O-N 2.82Å; F327-S331 VanDerWaalsContact O-N 3.08Å; I328-S331 VanDerWaalsContact O-CB 3.31Å; I328-S331 WeakPolarHBondContact O-CB 3.29Å; I328-S331 PolarHBondContact O-N 3.16Å; L329-S331 VanDerWaalsContact C-N 3.26Å; L329-S331 PolarHBondContact O-N 2.98Å; S331-A334 WeakPolarHBondContact O-CB 3.13Å; S331-A334 PolarHBondContact O-N 3.41Å; S331-L335 PolarHBondContact O-N 3.23Å; S331-V405 WeakPolarHBondContact OG-CG2 3.17Å; S331-R408 PolarHBondContact O-NH1 3.42Å; S331-R408 PolarHBondContact OG-NH1 2.92Å
332	N	98.3	Very high	95.6	Very high	19 Å²	19	23.5 Å²	23.5	10%	0.102	13%	0.132	C	C	.	.	H	α-helix	trans	-70.7	-38.1	-178.1	-74.5	-8.6	0	0	0	113.2	Y236 I328 L329 L330 A334 L335 C336 R408	Y236-N332 HydrophobicContact CD1-CB 3.98Å; Y236-N332 HydrophobicContact CD2-CB 3.89Å; Y236-N332 HydrophobicContact CE1-CB 4.02Å; Y236-N332 HydrophobicContact CE2-CB 3.94Å; Y236-N332 HydrophobicContact CG-CB 3.91Å; I328-N332 WeakPolarHBondContact O-CB 3.39Å; I328-N332 VanDerWaalsContact O-CG 3.31Å; I328-N332 PolarHBondContact O-N 2.97Å; L329-N332 PolarHBondContact O-N 2.88Å; L329-N332 VanDerWaalsContact O-N 3.13Å; L330-N332 PolarHBondContact O-N 2.89Å; N332-A334 VanDerWaalsContact C-N 3.34Å; N332-L335 WeakPolarHBondContact O-CB 3.35Å; N332-L335 PolarHBondContact O-N 2.96Å; N332-C336 PolarHBondContact O-N 3.07Å; N332-C336 PolarHBondContact O-SG 2.99Å; N332-R408 PolarHBondContact OD1-NH1 3.42Å
333	V	97.9	Very high	96	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.03	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-44.9	170.8	173	0	0	0	0	110	F233 L240 L329 L335 C336 Q337 N349	F233-V333 HydrophobicContact CD2-CG1 4.2Å; F233-V333 HydrophobicContact CE2-CG1 3.7Å; L240-V333 HydrophobicContact CD2-CG2 4.26Å; L329-V333 WeakPolarHBondContact O-CB 3.28Å; L329-V333 VanDerWaalsContact O-CG2 3.31Å; L329-V333 WeakPolarHBondContact O-CG2 3.12Å; L329-V333 PolarHBondContact O-N 2.92Å; V333-L335 VanDerWaalsContact C-N 3.32Å; V333-L335 PolarHBondContact O-N 3.28Å; V333-C336 WeakPolarHBondContact O-CB 3.4Å; V333-C336 PolarHBondContact O-N 3.28Å; V333-C336 VanDerWaalsContact O-N 3.16Å; V333-Q337 WeakPolarHBondContact O-CG 3.13Å; V333-Q337 PolarHBondContact O-N 3.39Å; V333-N349 WeakPolarHBondContact CG1-ND2 3.45Å
334	A	97.8	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-42.8	175.5	0	0	0	0	0	111.6	L330 S331 N332 C336 Q337 L338 C346 N349 C350	L330-A334 VanDerWaalsContact O-CB 3.28Å; L330-A334 WeakPolarHBondContact O-CB 3.29Å; L330-A334 PolarHBondContact O-N 3.15Å; S331-A334 WeakPolarHBondContact O-CB 3.13Å; S331-A334 PolarHBondContact O-N 3.41Å; N332-A334 VanDerWaalsContact C-N 3.34Å; A334-C336 VanDerWaalsContact C-N 3.35Å; A334-C336 PolarHBondContact O-N 2.94Å; A334-Q337 PolarHBondContact O-N 2.76Å; A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 3.38Å; A334-C346 PolarHBondContact O-SG 3.35Å; A334-N349 HydrophobicContact CB-CB 3.92Å; A334-C350 VanDerWaalsContact CB-SG 3.55Å
335	L	97.9	Very high	96.1	Very high	34 Å²	34	32.8 Å²	32.8	18%	0.178	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-44.9	174.5	179.3	63.4	0	0	0	112.2	W229 S331 N332 V333 Q337 L338 K339	W229-L335 HydrophobicContact CH2-CD1 4.46Å; W229-L335 HydrophobicContact CH2-CD2 3.87Å; W229-L335 HydrophobicContact CH2-CG 3.9Å; W229-L335 HydrophobicContact CZ3-CD2 3.86Å; W229-L335 HydrophobicContact CZ3-CG 3.74Å; S331-L335 PolarHBondContact O-N 3.23Å; N332-L335 WeakPolarHBondContact O-CB 3.35Å; N332-L335 PolarHBondContact O-N 2.96Å; V333-L335 VanDerWaalsContact C-N 3.32Å; V333-L335 PolarHBondContact O-N 3.28Å; L335-Q337 VanDerWaalsContact C-N 3.32Å; L335-Q337 PolarHBondContact O-N 3.13Å; L335-L338 PolarHBondContact O-N 2.89Å; L335-K339 HydrophobicContact CD1-CG 4.19Å; L335-K339 HydrophobicContact CG-CG 4.47Å; L335-K339 WeakPolarHBondContact O-CG 3.44Å; L335-K339 PolarHBondContact O-N 3.2Å
336	C	97.2	Very high	96.2	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-44.2	177.4	-63.5	0	0	0	0	111.4	W229 F233 Y236 N332 V333 A334 K339 V340	W229-C336 HydrophobicContact CE3-CB 4.25Å; F233-C336 HydrophobicContact CB-CB 4.01Å; F233-C336 HydrophobicContact CD2-CB 3.95Å; F233-C336 HydrophobicContact CG-CB 4.48Å; Y236-C336 VanDerWaalsContact CD2-SG 3.54Å; N332-C336 PolarHBondContact O-N 3.07Å; N332-C336 PolarHBondContact O-SG 2.99Å; V333-C336 WeakPolarHBondContact O-CB 3.4Å; V333-C336 PolarHBondContact O-N 3.28Å; V333-C336 VanDerWaalsContact O-N 3.16Å; A334-C336 VanDerWaalsContact C-N 3.35Å; A334-C336 PolarHBondContact O-N 2.94Å; C336-K339 PolarHBondContact O-N 3.33Å; C336-V340 WeakPolarHBondContact O-CG2 3.24Å; C336-V340 PolarHBondContact O-N 2.78Å; C336-V340 VanDerWaalsContact O-N 3.09Å
337	Q	97.1	Very high	96	Very high	21 Å²	21	32.6 Å²	32.6	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-41.9	178.5	-71.1	167.8	-21.1	0	0	112.2	F233 V333 A334 L335 K339 V340 G341 S342 Y345 C346 N349	F233-Q337 HydrophobicContact CE2-CG 4.1Å; V333-Q337 WeakPolarHBondContact O-CG 3.13Å; V333-Q337 PolarHBondContact O-N 3.39Å; A334-Q337 PolarHBondContact O-N 2.76Å; L335-Q337 VanDerWaalsContact C-N 3.32Å; L335-Q337 PolarHBondContact O-N 3.13Å; Q337-K339 VanDerWaalsContact C-N 3.27Å; Q337-K339 PolarHBondContact O-N 2.95Å; Q337-V340 PolarHBondContact O-N 3.34Å; Q337-G341 PolarHBondContact O-N 2.94Å; Q337-S342 PolarHBondContact O-N 2.98Å; Q337-Y345 VanDerWaalsContact CD-CB 3.47Å; Q337-Y345 PolarHBondContact OE1-O 3.34Å; Q337-C346 HydrophobicContact CB-CB 4.01Å; Q337-N349 VanDerWaalsContact CD-ND2 3.32Å; Q337-N349 PolarHBondContact NE2-ND2 3.4Å; Q337-N349 VanDerWaalsContact NE2-ND2 3.13Å; Q337-N349 PolarHBondContact OE1-ND2 3.42Å
338	L	96.9	Very high	95.9	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-40.3	174.2	-175	57.6	0	0	0	111.8	A334 L335 G341 C346 R408 Q411	A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 3.38Å; L335-L338 PolarHBondContact O-N 2.89Å; L338-G341 PolarHBondContact O-N 3.18Å; L338-C346 HydrophobicContact CB-CB 4.25Å; L338-R408 HydrophobicContact CD2-CB 4.26Å; L338-R408 HydrophobicContact CD2-CG 4.25Å; L338-Q411 HydrophobicContact CD1-CB 4.24Å; L338-Q411 HydrophobicContact CD1-CG 4.04Å; L338-Q411 HydrophobicContact CD2-CB 4.14Å; L338-Q411 HydrophobicContact CD2-CG 4.25Å
339	K	94.8	Very high	95.8	Very high	85 Å²	85	37.2 Å²	37.2	37%	0.37	19%	0.192	S	C	.	.	H	α-helix	trans	-73.5	-29.7	-178	-65.8	-76.4	177.6	-171.4	0	113.2	F225 W229 L335 C336 Q337 G341	F225-K339 HydrophobicContact CZ-CB 4.26Å; F225-K339 HydrophobicContact CZ-CD 4.18Å; W229-K339 HydrophobicContact CD2-CB 3.61Å; W229-K339 HydrophobicContact CD2-CG 3.81Å; W229-K339 HydrophobicContact CE3-CB 4.12Å; W229-K339 HydrophobicContact CE3-CG 4.04Å; W229-K339 HydrophobicContact CG-CB 3.83Å; W229-K339 HydrophobicContact CH2-CD 4.21Å; W229-K339 HydrophobicContact CH2-CG 3.75Å; W229-K339 HydrophobicContact CZ2-CB 4.17Å; W229-K339 HydrophobicContact CZ2-CD 3.64Å; W229-K339 HydrophobicContact CZ2-CG 3.49Å; W229-K339 VanDerWaalsContact CZ2-CG 3.49Å; W229-K339 HydrophobicContact CZ3-CG 4Å; L335-K339 HydrophobicContact CD1-CG 4.19Å; L335-K339 HydrophobicContact CG-CG 4.47Å; L335-K339 WeakPolarHBondContact O-CG 3.44Å; L335-K339 PolarHBondContact O-N 3.2Å; C336-K339 PolarHBondContact O-N 3.33Å; Q337-K339 VanDerWaalsContact C-N 3.27Å; Q337-K339 PolarHBondContact O-N 2.95Å; K339-G341 VanDerWaalsContact C-N 3.33Å
340	V	91.6	Very high	95.6	Very high	88 Å²	88	37.2 Å²	37.2	53%	0.533	19%	0.192	S	C	.	.	H	α-helix	trans	-85.3	-8.4	173.8	179.4	0	0	0	0	112.1	W229 C336 Q337	W229-V340 HydrophobicContact CB-CG2 4.1Å; C336-V340 WeakPolarHBondContact O-CG2 3.24Å; C336-V340 PolarHBondContact O-N 2.78Å; C336-V340 VanDerWaalsContact O-N 3.09Å; Q337-V340 PolarHBondContact O-N 3.34Å
341	G	93.4	Very high	95.4	Very high	44 Å²	44	37.7 Å²	37.7	45%	0.454	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	8.3	179.4	0	0	0	0	0	114.4	Q337 L338 K339 N343	Q337-G341 PolarHBondContact O-N 2.94Å; L338-G341 PolarHBondContact O-N 3.18Å; K339-G341 VanDerWaalsContact C-N 3.33Å; G341-N343 PolarHBondContact O-N 3.29Å; G341-N343 PolarHBondContact O-ND2 2.88Å
342	S	95.1	Very high	95.1	Very high	46 Å²	46	40.2 Å²	40.2	32%	0.322	21%	0.206	S	C	.	.			trans	-77.6	62.3	174.3	-59.7	0	0	0	0	111.3	Q337 E344 Y345 C346	Q337-S342 PolarHBondContact O-N 2.98Å; S342-E344 VanDerWaalsContact C-N 3.31Å; S342-E344 PolarHBondContact O-N 3.02Å; S342-Y345 PolarHBondContact O-N 3.37Å; S342-C346 PolarHBondContact O-N 2.98Å
343	N	96.3	Very high	94.8	Very high	29 Å²	29	39.3 Å²	39.3	16%	0.155	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-35.7	-171.1	-60.5	-58.1	0	0	0	113.5	G341 C346 A347 S412 N415 Q416	G341-N343 PolarHBondContact O-N 3.29Å; G341-N343 PolarHBondContact O-ND2 2.88Å; N343-C346 PolarHBondContact O-N 2.94Å; N343-A347 PolarHBondContact O-N 3.47Å; N343-S412 WeakPolarHBondContact O-CB 3.32Å; N343-N415 HydrophobicContact CB-CB 4.31Å; N343-N415 VanDerWaalsContact CG-CB 3.42Å; N343-N415 WeakPolarHBondContact ND2-CB 3.43Å; N343-N415 WeakPolarHBondContact OD1-CB 3.31Å; N343-N415 PolarHBondContact OD1-ND2 3.26Å; N343-Q416 VanDerWaalsContact C-NE2 3.32Å; N343-Q416 HydrophobicContact CB-CG 3.85Å; N343-Q416 PolarHBondContact O-NE2 3.21Å
344	E	93.8	Very high	94.5	Very high	128 Å²	128	39.1 Å²	39.1	60%	0.598	20%	0.2	S	C	*	.	H	α-helix	trans	-61.1	-52.5	178.3	-175	-179.6	175.9	0	0	110.8	S342 C346 A347 R348	S342-E344 VanDerWaalsContact C-N 3.31Å; S342-E344 PolarHBondContact O-N 3.02Å; E344-C346 VanDerWaalsContact C-N 3.31Å; E344-C346 PolarHBondContact O-N 3.38Å; E344-A347 PolarHBondContact O-N 3.49Å; E344-R348 VanDerWaalsContact O-CB 3.29Å; E344-R348 WeakPolarHBondContact O-CB 3.29Å; E344-R348 PolarHBondContact O-N 3.04Å
345	Y	94.2	Very high	94	Very high	129 Å²	129	39.7 Å²	39.7	51%	0.506	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-34	177.7	-66.1	-77.3	0	0	0	113	Q337 S342 R348 N349	Q337-Y345 VanDerWaalsContact CD-CB 3.47Å; Q337-Y345 PolarHBondContact OE1-O 3.34Å; S342-Y345 PolarHBondContact O-N 3.37Å; Y345-R348 VanDerWaalsContact O-CB 3.27Å; Y345-R348 WeakPolarHBondContact O-CB 3.27Å; Y345-R348 PolarHBondContact O-N 3.14Å; Y345-N349 PolarHBondContact O-N 3.16Å; Y345-N349 PolarHBondContact O-ND2 3.32Å
346	C	96.1	Very high	93.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-50.8	174.1	178.2	0	0	0	0	111.2	A334 Q337 L338 S342 N343 E344 R348 N349 C350 S412	A334-C346 PolarHBondContact O-SG 3.35Å; Q337-C346 HydrophobicContact CB-CB 4.01Å; L338-C346 HydrophobicContact CB-CB 4.25Å; S342-C346 PolarHBondContact O-N 2.98Å; N343-C346 PolarHBondContact O-N 2.94Å; E344-C346 VanDerWaalsContact C-N 3.31Å; E344-C346 PolarHBondContact O-N 3.38Å; C346-R348 PolarHBondContact O-N 3.44Å; C346-N349 PolarHBondContact O-N 3.06Å; C346-C350 PolarHBondContact O-N 2.9Å; C346-S412 VanDerWaalsContact CB-OG 3.26Å; C346-S412 WeakPolarHBondContact CB-OG 3.33Å; C346-S412 PolarHBondContact SG-OG 2.84Å
347	A	93.3	Very high	93.2	Very high	6 Å²	6	38.1 Å²	38.1	5%	0.05	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-37	177.1	0	0	0	0	0	111.8	N343 E344 S351 R409 Y413	N343-A347 PolarHBondContact O-N 3.47Å; E344-A347 PolarHBondContact O-N 3.49Å; A347-S351 WeakPolarHBondContact O-CB 3.37Å; A347-S351 PolarHBondContact O-N 2.89Å; A347-S351 PolarHBondContact O-OG 3.17Å; A347-R409 HydrophobicContact CB-CG 4.29Å; A347-Y413 HydrophobicContact CB-CD1 4.34Å; A347-Y413 HydrophobicContact CB-CE1 3.89Å
348	R	92.2	Very high	92.6	Very high	106 Å²	106	37.3 Å²	37.3	40%	0.4	19%	0.191	S	C	.	.	H	α-helix	trans	-58.9	-53.7	175.8	-161.9	-176.4	167	137	12.6	111.8	E344 Y345 C346 S351 H352 Y372	E344-R348 VanDerWaalsContact O-CB 3.29Å; E344-R348 WeakPolarHBondContact O-CB 3.29Å; E344-R348 PolarHBondContact O-N 3.04Å; Y345-R348 VanDerWaalsContact O-CB 3.27Å; Y345-R348 WeakPolarHBondContact O-CB 3.27Å; Y345-R348 PolarHBondContact O-N 3.14Å; C346-R348 PolarHBondContact O-N 3.44Å; R348-S351 PolarHBondContact O-N 3.2Å; R348-H352 PolarHBondContact O-N 3.25Å; R348-Y372 HydrophobicContact CB-CE1 4.39Å; R348-Y372 HydrophobicContact CG-CD1 3.98Å; R348-Y372 HydrophobicContact CG-CE1 3.04Å; R348-Y372 WeakPolarHBondContact CG-OH 3.36Å; R348-Y372 VanDerWaalsContact CZ-CE1 3.45Å; R348-Y372 VanDerWaalsContact CZ-CZ 3.5Å; R348-Y372 PolarHBondContact NE-OH 3.23Å; R348-Y372 VanDerWaalsContact NH2-CG 3.28Å; R348-Y372 VanDerWaalsContact NH2-CZ 3.28Å
349	N	94.2	Very high	91.9	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-37.5	-179.9	-80.2	-43.5	0	0	0	113.3	L330 V333 A334 Q337 Y345 C346 S351 H352 A353	L330-N349 HydrophobicContact CD2-CB 4.44Å; V333-N349 WeakPolarHBondContact CG1-ND2 3.45Å; A334-N349 HydrophobicContact CB-CB 3.92Å; Q337-N349 VanDerWaalsContact CD-ND2 3.32Å; Q337-N349 PolarHBondContact NE2-ND2 3.4Å; Q337-N349 VanDerWaalsContact NE2-ND2 3.13Å; Q337-N349 PolarHBondContact OE1-ND2 3.42Å; Y345-N349 PolarHBondContact O-N 3.16Å; Y345-N349 PolarHBondContact O-ND2 3.32Å; C346-N349 PolarHBondContact O-N 3.06Å; N349-S351 VanDerWaalsContact C-N 3.35Å; N349-H352 PolarHBondContact O-N 3.5Å; N349-A353 PolarHBondContact O-N 2.84Å
350	C	95	Very high	91.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-42	173	-73.6	0	0	0	0	112	A334 C346 H352 A353 L354 V405 R409	A334-C350 VanDerWaalsContact CB-SG 3.55Å; C346-C350 PolarHBondContact O-N 2.9Å; C350-H352 VanDerWaalsContact C-N 3.32Å; C350-H352 PolarHBondContact O-N 2.84Å; C350-A353 WeakPolarHBondContact O-CB 3.42Å; C350-A353 PolarHBondContact O-N 2.73Å; C350-L354 WeakPolarHBondContact O-CG 3.47Å; C350-L354 PolarHBondContact O-N 3.29Å; C350-L354 VanDerWaalsContact O-N 3.14Å; C350-V405 HydrophobicContact CB-CG1 3.81Å; C350-V405 WeakPolarHBondContact O-CG1 3.34Å; C350-V405 PolarHBondContact SG-O 3.37Å; C350-R409 HydrophobicContact CB-CB 3.65Å; C350-R409 HydrophobicContact CB-CG 4.04Å
351	S	92	Very high	91	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-37.6	178	-57.1	0	0	0	0	111.3	A347 R348 N349 L354 Y355 R409	A347-S351 WeakPolarHBondContact O-CB 3.37Å; A347-S351 PolarHBondContact O-N 2.89Å; A347-S351 PolarHBondContact O-OG 3.17Å; R348-S351 PolarHBondContact O-N 3.2Å; N349-S351 VanDerWaalsContact C-N 3.35Å; S351-L354 PolarHBondContact O-N 3.3Å; S351-Y355 WeakPolarHBondContact O-CB 3.5Å; S351-Y355 PolarHBondContact O-N 3.49Å; S351-R409 VanDerWaalsContact OG-CD 3.29Å; S351-R409 WeakPolarHBondContact OG-CD 3.46Å; S351-R409 PolarHBondContact OG-NH1 3.42Å; S351-R409 VanDerWaalsContact OG-NH1 3.13Å
352	H	91.3	Very high	90.1	Very high	59 Å²	59	35.1 Å²	35.1	27%	0.273	17%	0.169	S	C	.	.	H	α-helix	trans	-61.7	-43	172.9	-171.8	-167.7	0	0	0	111.8	L330 R348 N349 C350 L354 Y355 L356	L330-H352 HydrophobicContact CD1-CB 4.46Å; L330-H352 HydrophobicContact CD2-CB 4.37Å; R348-H352 PolarHBondContact O-N 3.25Å; N349-H352 PolarHBondContact O-N 3.5Å; C350-H352 VanDerWaalsContact C-N 3.32Å; C350-H352 PolarHBondContact O-N 2.84Å; H352-L354 VanDerWaalsContact C-N 3.33Å; H352-L354 PolarHBondContact O-N 3.15Å; H352-Y355 WeakPolarHBondContact O-CB 3.49Å; H352-Y355 PolarHBondContact O-N 2.98Å; H352-L356 WeakPolarHBondContact O-CG 3.47Å; H352-L356 PolarHBondContact O-N 3.15Å
353	A	92.8	Very high	88.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-43.5	176.7	0	0	0	0	0	112.3	F327 L330 N349 C350 L356 V405	F327-A353 HydrophobicContact CD2-CB 3.83Å; F327-A353 VanDerWaalsContact CD2-O 3.29Å; F327-A353 WeakPolarHBondContact CD2-O 3.35Å; F327-A353 HydrophobicContact CE2-CB 3.82Å; F327-A353 VanDerWaalsContact CE2-O 3.29Å; F327-A353 WeakPolarHBondContact CE2-O 3.38Å; F327-A353 HydrophobicContact CG-CB 4.48Å; F327-A353 HydrophobicContact CZ-CB 4.48Å; L330-A353 HydrophobicContact CB-CB 3.87Å; L330-A353 HydrophobicContact CD1-CB 4.03Å; N349-A353 PolarHBondContact O-N 2.84Å; C350-A353 WeakPolarHBondContact O-CB 3.42Å; C350-A353 PolarHBondContact O-N 2.73Å; A353-L356 WeakPolarHBondContact O-CB 3.42Å; A353-L356 PolarHBondContact O-N 3.37Å; A353-V405 HydrophobicContact CB-CG1 4.1Å; A353-V405 HydrophobicContact CB-CG2 4.3Å
354	L	91.6	Very high	87.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.2	-34.8	177.4	-64.9	170.3	0	0	0	112.4	C350 S351 H352 L356 L357 S358 I378 L382 F383 V405 L406	C350-L354 WeakPolarHBondContact O-CG 3.47Å; C350-L354 PolarHBondContact O-N 3.29Å; C350-L354 VanDerWaalsContact O-N 3.14Å; S351-L354 PolarHBondContact O-N 3.3Å; H352-L354 VanDerWaalsContact C-N 3.33Å; H352-L354 PolarHBondContact O-N 3.15Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 2.96Å; L354-L357 HydrophobicContact CD2-CD1 4.41Å; L354-L357 WeakPolarHBondContact O-CB 3.46Å; L354-L357 PolarHBondContact O-N 3.4Å; L354-L357 VanDerWaalsContact O-N 3.16Å; L354-S358 PolarHBondContact O-N 3.39Å; L354-S358 VanDerWaalsContact O-N 3.15Å; L354-I378 HydrophobicContact CB-CD1 3.52Å; L354-I378 HydrophobicContact CB-CG1 3.98Å; L354-I378 HydrophobicContact CD1-CD1 3.84Å; L354-I378 HydrophobicContact CD1-CG2 4.14Å; L354-I378 HydrophobicContact CG-CD1 4.32Å; L354-L382 HydrophobicContact CB-CD2 4.47Å; L354-F383 HydrophobicContact CD2-CE1 4.11Å; L354-F383 HydrophobicContact CD2-CZ 4.13Å; L354-V405 HydrophobicContact CD1-CG1 4.06Å; L354-V405 HydrophobicContact CD2-CG1 4.05Å; L354-V405 HydrophobicContact CG-CG1 3.74Å; L354-L406 HydrophobicContact CD1-CD2 3.66Å; L354-L406 HydrophobicContact CD1-CG 4.31Å
355	Y	88.4	Confident	85.5	Confident	12 Å²	12	34.6 Å²	34.6	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-37.1	173.3	177.2	-101.7	0	0	0	112.3	S351 H352 L357 S358 C359 I365 Y366 H374 I377	S351-Y355 WeakPolarHBondContact O-CB 3.5Å; S351-Y355 PolarHBondContact O-N 3.49Å; H352-Y355 WeakPolarHBondContact O-CB 3.49Å; H352-Y355 PolarHBondContact O-N 2.98Å; Y355-L357 PolarHBondContact O-N 3.29Å; Y355-S358 WeakPolarHBondContact CA-OG 3.25Å; Y355-S358 PolarHBondContact O-N 3.48Å; Y355-S358 PolarHBondContact O-OG 3.38Å; Y355-C359 WeakPolarHBondContact CE1-SG 3.09Å; Y355-C359 PolarHBondContact O-N 3.49Å; Y355-C359 PolarHBondContact O-SG 2.98Å; Y355-I365 HydrophobicContact CD2-CG2 4.19Å; Y355-I365 HydrophobicContact CE2-CG2 3.37Å; Y355-I365 PolarHBondContact OH-O 2.89Å; Y355-Y366 HydrophobicContact CE1-CD2 4.46Å; Y355-Y366 HydrophobicContact CE1-CE2 4.46Å; Y355-Y366 WeakPolarHBondContact OH-CA 3.28Å; Y355-H374 AromaticContact CD1-NE2 3.96Å; Y355-H374 HydrophobicContact CD2-CB 4.01Å; Y355-H374 AromaticContact CD2-CD2 3.71Å; Y355-H374 AromaticContact CD2-CE1 3.66Å; Y355-H374 AromaticContact CD2-CG 3.46Å; Y355-H374 VanDerWaalsContact CD2-CG 3.46Å; Y355-H374 AromaticContact CD2-ND1 3.43Å; Y355-H374 WeakPolarHBondContact CD2-ND1 3.46Å; Y355-H374 AromaticContact CD2-NE2 3.84Å; Y355-H374 AromaticContact CE1-NE2 3.89Å; Y355-H374 AromaticContact CE2-CE1 3.24Å; Y355-H374 WeakPolarHBondContact CE2-CE1 3.11Å; Y355-H374 AromaticContact CE2-CG 3.86Å; Y355-H374 AromaticContact CE2-ND1 3.32Å; Y355-H374 VanDerWaalsContact CE2-ND1 3.32Å; Y355-H374 WeakPolarHBondContact CE2-ND1 3.44Å; Y355-H374 AromaticContact CE2-NE2 3.75Å; Y355-H374 HydrophobicContact CG-CB 4.45Å; Y355-H374 AromaticContact CG-CD2 3.71Å; Y355-H374 AromaticContact CG-CG 3.9Å; Y355-H374 AromaticContact CG-NE2 3.93Å; Y355-H374 AromaticContact CZ-CE1 3.49Å; Y355-H374 VanDerWaalsContact CZ-CE1 3.49Å; Y355-H374 AromaticContact CZ-NE2 3.78Å; Y355-I377 HydrophobicContact CD2-CD1 3.87Å; Y355-I377 HydrophobicContact CE2-CD1 3.71Å
356	L	87.3	Confident	83.5	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-34.5	174.4	-68.4	173.9	0	0	0	112.4	L323 M326 L330 H352 A353 L354 Q360	L323-L356 HydrophobicContact CD1-CB 4.12Å; L323-L356 HydrophobicContact CD1-CD1 4.37Å; M326-L356 HydrophobicContact CE-CD1 3.34Å; M326-L356 HydrophobicContact CE-CD2 3.42Å; M326-L356 VanDerWaalsContact CE-CD2 3.42Å; M326-L356 HydrophobicContact CE-CG 4.01Å; M326-L356 HydrophobicContact CG-CD1 4.04Å; L330-L356 HydrophobicContact CD1-CD1 3.43Å; L330-L356 VanDerWaalsContact CD1-CD1 3.43Å; L330-L356 HydrophobicContact CD1-CG 4.46Å; H352-L356 WeakPolarHBondContact O-CG 3.47Å; H352-L356 PolarHBondContact O-N 3.15Å; A353-L356 WeakPolarHBondContact O-CB 3.42Å; A353-L356 PolarHBondContact O-N 3.37Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 2.96Å; L356-Q360 WeakPolarHBondContact O-CG 3.36Å; L356-Q360 PolarHBondContact O-N 3.42Å; L356-Q360 PolarHBondContact O-NE2 2.92Å; L356-Q360 VanDerWaalsContact O-NE2 3.12Å
357	L	89	Confident	81.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-44.7	174.6	-60.8	-176.6	0	0	0	111.5	F327 L354 Y355 C359 Q360 L382 Y391 I397 I402	F327-L357 HydrophobicContact CD2-CD1 4.37Å; F327-L357 HydrophobicContact CD2-CD2 4.09Å; F327-L357 HydrophobicContact CD2-CG 4.08Å; F327-L357 HydrophobicContact CE2-CD1 3.58Å; F327-L357 HydrophobicContact CE2-CD2 4.13Å; F327-L357 HydrophobicContact CE2-CG 3.72Å; F327-L357 HydrophobicContact CZ-CD1 4.09Å; L354-L357 HydrophobicContact CD2-CD1 4.41Å; L354-L357 WeakPolarHBondContact O-CB 3.46Å; L354-L357 PolarHBondContact O-N 3.4Å; L354-L357 VanDerWaalsContact O-N 3.16Å; Y355-L357 PolarHBondContact O-N 3.29Å; L357-C359 PolarHBondContact O-N 3.2Å; L357-Q360 WeakPolarHBondContact O-CB 3.35Å; L357-Q360 PolarHBondContact O-N 2.93Å; L357-L382 HydrophobicContact CB-CD1 4.49Å; L357-Y391 HydrophobicContact CB-CE1 3.95Å; L357-Y391 HydrophobicContact CB-CE2 4.35Å; L357-Y391 HydrophobicContact CD1-CD2 4.31Å; L357-Y391 HydrophobicContact CD1-CE2 4.13Å; L357-Y391 HydrophobicContact CD2-CD1 4.08Å; L357-Y391 HydrophobicContact CD2-CE1 4.22Å; L357-Y391 HydrophobicContact CD2-CG 4.3Å; L357-I397 HydrophobicContact CD2-CD1 3.54Å; L357-I402 HydrophobicContact CD1-CD1 4.24Å; L357-I402 HydrophobicContact CD1-CG1 4.18Å
358	S	85	Confident	79.3	Confident	5 Å²	5	42.5 Å²	42.5	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-37.1	178	57.5	0	0	0	0	112	L354 Y355 Q360 L361 D362	L354-S358 PolarHBondContact O-N 3.39Å; L354-S358 VanDerWaalsContact O-N 3.15Å; Y355-S358 WeakPolarHBondContact CA-OG 3.25Å; Y355-S358 PolarHBondContact O-N 3.48Å; Y355-S358 PolarHBondContact O-OG 3.38Å; S358-Q360 PolarHBondContact O-N 3.23Å; S358-L361 PolarHBondContact O-N 2.95Å; S358-L361 VanDerWaalsContact O-N 3.09Å; S358-D362 PolarHBondContact O-N 3.39Å
359	C	83.6	Confident	77	Confident	12 Å²	12	39.8 Å²	39.8	8%	0.081	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-21.2	176.7	-64.7	0	0	0	0	113.8	Y355 L357 Y366	Y355-C359 WeakPolarHBondContact CE1-SG 3.09Å; Y355-C359 PolarHBondContact O-N 3.49Å; Y355-C359 PolarHBondContact O-SG 2.98Å; L357-C359 PolarHBondContact O-N 3.2Å; C359-Y366 HydrophobicContact CB-CD2 4.06Å
360	Q	84.4	Confident	74.9	Confident	32 Å²	32	47.1 Å²	47.1	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-77.8	-23.5	173.4	-55	-45	-57.3	0	0	112.7	Y247 L323 L356 L357 S358 F390 F395	Y247-Q360 PolarHBondContact OH-NE2 3.49Å; L323-Q360 VanDerWaalsContact CD2-CD 3.46Å; L323-Q360 HydrophobicContact CD2-CG 3.5Å; L356-Q360 WeakPolarHBondContact O-CG 3.36Å; L356-Q360 PolarHBondContact O-N 3.42Å; L356-Q360 PolarHBondContact O-NE2 2.92Å; L356-Q360 VanDerWaalsContact O-NE2 3.12Å; L357-Q360 WeakPolarHBondContact O-CB 3.35Å; L357-Q360 PolarHBondContact O-N 2.93Å; S358-Q360 PolarHBondContact O-N 3.23Å; Q360-F390 HydrophobicContact CB-CE1 4.17Å; Q360-F395 HydrophobicContact CB-CE2 3.88Å; Q360-F395 HydrophobicContact CB-CZ 4.1Å; Q360-F395 HydrophobicContact CG-CE2 3.67Å; Q360-F395 HydrophobicContact CG-CZ 3.72Å
361	L	82.4	Confident	72.6	Confident	63 Å²	63	52.8 Å²	52.8	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-88.7	-37.9	178.5	-63.1	178.2	0	0	0	112.2	S358 L382 K387 F390 Y391	S358-L361 PolarHBondContact O-N 2.95Å; S358-L361 VanDerWaalsContact O-N 3.09Å; L361-L382 HydrophobicContact CD1-CD1 3.95Å; L361-K387 HydrophobicContact CD1-CB 4.41Å; L361-K387 HydrophobicContact CD1-CD 3.45Å; L361-K387 VanDerWaalsContact CD1-CD 3.45Å; L361-K387 HydrophobicContact CD1-CG 3.82Å; L361-K387 HydrophobicContact CD2-CG 4.03Å; L361-F390 HydrophobicContact CD2-CD1 3.83Å; L361-F390 HydrophobicContact CD2-CE1 3.99Å; L361-Y391 HydrophobicContact CD1-CE1 4.49Å; L361-Y391 WeakPolarHBondContact CD1-OH 3.08Å; L361-Y391 HydrophobicContact CD2-CE1 4.23Å; L361-Y391 HydrophobicContact CG-CE1 4.17Å
362	D	74.2	Confident	70.7	Confident	74 Å²	74	56.5 Å²	56.5	40%	0.396	31%	0.314	S	S	.	.			trans	-138.2	102.3	-179.9	-175.8	-4.1	0	0	0	109.1	S358 S364 I365	S358-D362 PolarHBondContact O-N 3.39Å; D362-S364 PolarHBondContact O-N 2.65Å; D362-S364 WeakPolarHBondContact OD1-CB 3.38Å; D362-S364 PolarHBondContact OD1-N 3.17Å; D362-S364 PolarHBondContact OD1-OG 3.05Å; D362-S364 PolarHBondContact OD2-OG 3.35Å; D362-I365 HydrophobicContact CB-CD1 3.79Å; D362-I365 HydrophobicContact CB-CG1 3.95Å; D362-I365 WeakPolarHBondContact O-CB 3.5Å; D362-I365 PolarHBondContact O-N 3.25Å
363	S	68.1	Low	68.7	Low	98 Å²	98	62.5 Å²	62.5	69%	0.685	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.5	178.6	59.1	0	0	0	0	112.5	I365 Y366	S363-I365 PolarHBondContact O-N 3.49Å; S363-Y366 WeakPolarHBondContact O-CB 3.29Å; S363-Y366 PolarHBondContact O-N 3.24Å; S363-Y366 VanDerWaalsContact O-N 3.11Å
364	S	62.1	Low	66.9	Low	61 Å²	61	63.4 Å²	63.4	43%	0.427	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-25	177.6	78.6	0	0	0	0	112.4	D362 Y366 S367 S368	D362-S364 PolarHBondContact O-N 2.65Å; D362-S364 WeakPolarHBondContact OD1-CB 3.38Å; D362-S364 PolarHBondContact OD1-N 3.17Å; D362-S364 PolarHBondContact OD1-OG 3.05Å; D362-S364 PolarHBondContact OD2-OG 3.35Å; S364-Y366 PolarHBondContact O-N 3.06Å; S364-S367 PolarHBondContact O-N 3.37Å; S364-S367 PolarHBondContact O-OG 3.39Å; S364-S368 PolarHBondContact O-OG 3Å
365	I	57.5	Low	65.3	Low	33 Å²	33	66.3 Å²	66.3	17%	0.169	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-33.1	174.1	-62.8	177.2	0	0	0	111.3	Y355 D362 S363 S367 I377	Y355-I365 HydrophobicContact CD2-CG2 4.19Å; Y355-I365 HydrophobicContact CE2-CG2 3.37Å; Y355-I365 PolarHBondContact OH-O 2.89Å; D362-I365 HydrophobicContact CB-CD1 3.79Å; D362-I365 HydrophobicContact CB-CG1 3.95Å; D362-I365 WeakPolarHBondContact O-CB 3.5Å; D362-I365 PolarHBondContact O-N 3.25Å; S363-I365 PolarHBondContact O-N 3.49Å; I365-S367 VanDerWaalsContact C-N 3.32Å; I365-S367 PolarHBondContact O-N 3.31Å; I365-I377 HydrophobicContact CD1-CG2 4.35Å; I365-I377 HydrophobicContact CG2-CD1 3.98Å; I365-I377 HydrophobicContact CG2-CG2 4.38Å
366	Y	54.1	Low	63.9	Low	112 Å²	112	72.5 Å²	72.5	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-67.6	-34	-179.6	-152.6	-85.2	0	0	0	112.2	W248 Y355 C359 S363 S364	W248-Y366 AromaticContact CH2-CE1 3.79Å; W248-Y366 HydrophobicContact CH2-CE1 3.79Å; W248-Y366 AromaticContact CH2-CE2 3.88Å; W248-Y366 HydrophobicContact CH2-CE2 3.88Å; W248-Y366 AromaticContact CH2-CZ 3.29Å; W248-Y366 WeakPolarHBondContact CH2-OH 3.29Å; W248-Y366 HydrophobicContact CZ2-CE2 4.34Å; W248-Y366 AromaticContact CZ2-CZ 3.74Å; W248-Y366 WeakPolarHBondContact CZ2-OH 3.48Å; Y355-Y366 HydrophobicContact CE1-CD2 4.46Å; Y355-Y366 HydrophobicContact CE1-CE2 4.46Å; Y355-Y366 WeakPolarHBondContact OH-CA 3.28Å; C359-Y366 HydrophobicContact CB-CD2 4.06Å; S363-Y366 WeakPolarHBondContact O-CB 3.29Å; S363-Y366 PolarHBondContact O-N 3.24Å; S363-Y366 VanDerWaalsContact O-N 3.11Å; S364-Y366 PolarHBondContact O-N 3.06Å
367	S	51.2	Low	62.6	Low	105 Å²	105	74.6 Å²	74.6	73%	0.734	40%	0.398	S	S	*	.	H	α-helix	trans	-83.4	-26.3	-172.3	69.8	0	0	0	0	114.7	S364 I365	S364-S367 PolarHBondContact O-N 3.37Å; S364-S367 PolarHBondContact O-OG 3.39Å; I365-S367 VanDerWaalsContact C-N 3.32Å; I365-S367 PolarHBondContact O-N 3.31Å
368	S	48	Very low	61.6	Low	85 Å²	85	74.7 Å²	74.7	59%	0.594	40%	0.399	S	S	*	.	H	α-helix	trans	-95.3	-14	-164	52.2	0	0	0	0	114.7	S364	S364-S368 PolarHBondContact O-OG 3Å
369	T	44.8	Very low	60.9	Low	49 Å²	49	78.7 Å²	78.7	30%	0.301	42%	0.42	S	S	.	.			trans	-143.2	98.5	-173.6	45.2	0	0	0	0	112	D371	T369-D371 PolarHBondContact O-N 3.29Å
370	N	49.9	Very low	60.1	Low	174 Å²	174	82.2 Å²	82.2	93%	0.93	44%	0.441	S	S	*	.			trans	-68.3	-2.2	156.1	-153.4	16.3	0	0	0	111.1	Y372	N370-Y372 PolarHBondContact O-N 2.95Å; N370-Y372 VanDerWaalsContact O-N 3.14Å
371	D	47.9	Very low	59.4	Low	119 Å²	119	83.3 Å²	83.3	64%	0.636	46%	0.456	S	S	*	.			trans	-75.3	100.6	177	-92.1	-23.1	0	0	0	111	T369 Y373 H374	T369-D371 PolarHBondContact O-N 3.29Å; D371-Y373 PolarHBondContact O-N 3.39Å; D371-H374 PolarHBondContact O-CE1 3.39Å; D371-H374 PolarHBondContact O-ND1 3.28Å
372	Y	50.3	Low	59.4	Low	90 Å²	90	80.8 Å²	80.8	35%	0.353	44%	0.442	S	S	.	.	S	Bend	trans	-52.9	-11.7	176.7	-155.9	-77.9	0	0	0	114.8	R348 N370 H374	R348-Y372 HydrophobicContact CB-CE1 4.39Å; R348-Y372 HydrophobicContact CG-CD1 3.98Å; R348-Y372 HydrophobicContact CG-CE1 3.04Å; R348-Y372 WeakPolarHBondContact CG-OH 3.36Å; R348-Y372 VanDerWaalsContact CZ-CE1 3.45Å; R348-Y372 VanDerWaalsContact CZ-CZ 3.5Å; R348-Y372 PolarHBondContact NE-OH 3.23Å; R348-Y372 VanDerWaalsContact NH2-CG 3.28Å; R348-Y372 VanDerWaalsContact NH2-CZ 3.28Å; N370-Y372 PolarHBondContact O-N 2.95Å; N370-Y372 VanDerWaalsContact O-N 3.14Å; Y372-H374 VanDerWaalsContact C-N 3.3Å; Y372-H374 PolarHBondContact O-N 3Å; Y372-H374 VanDerWaalsContact O-N 3.07Å
373	Y	50.5	Low	59.9	Low	186 Å²	186	78.1 Å²	78.1	73%	0.729	43%	0.427	S	S	*	.			trans	-84.5	62.6	179.7	-83.5	-88.4	0	0	0	112.1	D371 Q375	D371-Y373 PolarHBondContact O-N 3.39Å; Y373-Q375 PolarHBondContact O-N 3.06Å
374	H	55	Low	60.8	Low	19 Å²	19	75.5 Å²	75.5	9%	0.088	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-76	22.7	-178.5	-58.5	-58.2	0	0	0	115.1	Y355 D371 Y372 D376 I377	Y355-H374 AromaticContact CD1-NE2 3.96Å; Y355-H374 HydrophobicContact CD2-CB 4.01Å; Y355-H374 AromaticContact CD2-CD2 3.71Å; Y355-H374 AromaticContact CD2-CE1 3.66Å; Y355-H374 AromaticContact CD2-CG 3.46Å; Y355-H374 VanDerWaalsContact CD2-CG 3.46Å; Y355-H374 AromaticContact CD2-ND1 3.43Å; Y355-H374 WeakPolarHBondContact CD2-ND1 3.46Å; Y355-H374 AromaticContact CD2-NE2 3.84Å; Y355-H374 AromaticContact CE1-NE2 3.89Å; Y355-H374 AromaticContact CE2-CE1 3.24Å; Y355-H374 WeakPolarHBondContact CE2-CE1 3.11Å; Y355-H374 AromaticContact CE2-CG 3.86Å; Y355-H374 AromaticContact CE2-ND1 3.32Å; Y355-H374 VanDerWaalsContact CE2-ND1 3.32Å; Y355-H374 WeakPolarHBondContact CE2-ND1 3.44Å; Y355-H374 AromaticContact CE2-NE2 3.75Å; Y355-H374 HydrophobicContact CG-CB 4.45Å; Y355-H374 AromaticContact CG-CD2 3.71Å; Y355-H374 AromaticContact CG-CG 3.9Å; Y355-H374 AromaticContact CG-NE2 3.93Å; Y355-H374 AromaticContact CZ-CE1 3.49Å; Y355-H374 VanDerWaalsContact CZ-CE1 3.49Å; Y355-H374 AromaticContact CZ-NE2 3.78Å; D371-H374 PolarHBondContact O-CE1 3.39Å; D371-H374 PolarHBondContact O-ND1 3.28Å; Y372-H374 VanDerWaalsContact C-N 3.3Å; Y372-H374 PolarHBondContact O-N 3Å; Y372-H374 VanDerWaalsContact O-N 3.07Å; H374-D376 VanDerWaalsContact C-N 3.29Å; H374-D376 PolarHBondContact O-N 3.31Å; H374-I377 HydrophobicContact CB-CD1 4.07Å; H374-I377 VanDerWaalsContact ND1-CD1 3.31Å; H374-I377 WeakPolarHBondContact ND1-CD1 3.14Å; H374-I377 PolarHBondContact O-N 3.3Å
375	Q	56.7	Low	61.9	Low	60 Å²	60	79.1 Å²	79.1	28%	0.28	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-63.4	-37.3	-177.7	-110.6	172.1	-61.8	0	0	111.6	Y373 I377 Y413	Y373-Q375 PolarHBondContact O-N 3.06Å; Q375-I377 VanDerWaalsContact C-N 3.3Å; Q375-I377 PolarHBondContact O-N 3.06Å; Q375-Y413 VanDerWaalsContact CD-OH 3.23Å; Q375-Y413 VanDerWaalsContact CG-OH 3.32Å; Q375-Y413 WeakPolarHBondContact CG-OH 3.42Å; Q375-Y413 PolarHBondContact NE2-OH 2.88Å; Q375-Y413 VanDerWaalsContact NE2-OH 3.08Å
376	D	59.2	Low	63.3	Low	143 Å²	143	85.3 Å²	85.3	77%	0.765	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-75.4	-15.9	-177.7	-65.8	-11.3	0	0	0	113.8	H374 I378 N379	H374-D376 VanDerWaalsContact C-N 3.29Å; H374-D376 PolarHBondContact O-N 3.31Å; D376-I378 VanDerWaalsContact C-N 3.34Å; D376-N379 PolarHBondContact O-ND2 3.04Å; D376-N379 PolarHBondContact O-OD1 3.32Å
377	I	60.7	Low	65	Low	46 Å²	46	82.9 Å²	82.9	24%	0.236	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-78.2	-24.7	-178.1	-59.9	179.9	0	0	0	110.9	Y355 I365 H374 Q375 N379	Y355-I377 HydrophobicContact CD2-CD1 3.87Å; Y355-I377 HydrophobicContact CE2-CD1 3.71Å; I365-I377 HydrophobicContact CD1-CG2 4.35Å; I365-I377 HydrophobicContact CG2-CD1 3.98Å; I365-I377 HydrophobicContact CG2-CG2 4.38Å; H374-I377 HydrophobicContact CB-CD1 4.07Å; H374-I377 VanDerWaalsContact ND1-CD1 3.31Å; H374-I377 WeakPolarHBondContact ND1-CD1 3.14Å; H374-I377 PolarHBondContact O-N 3.3Å; Q375-I377 VanDerWaalsContact C-N 3.3Å; Q375-I377 PolarHBondContact O-N 3.06Å; I377-N379 VanDerWaalsContact C-N 3.33Å; I377-N379 PolarHBondContact O-N 2.92Å
378	I	68.7	Low	66.8	Low	2 Å²	2	78.1 Å²	78.1	1%	0.01	41%	0.405	C	S	.	.			trans	-88.6	77.8	-171.9	-60.9	161.6	0	0	0	109.6	L354 D376 L382 F383 Y424	L354-I378 HydrophobicContact CB-CD1 3.52Å; L354-I378 HydrophobicContact CB-CG1 3.98Å; L354-I378 HydrophobicContact CD1-CD1 3.84Å; L354-I378 HydrophobicContact CD1-CG2 4.14Å; L354-I378 HydrophobicContact CG-CD1 4.32Å; D376-I378 VanDerWaalsContact C-N 3.34Å; I378-L382 HydrophobicContact CG2-CD2 4.46Å; I378-F383 HydrophobicContact CG2-CE2 3.93Å; I378-F383 HydrophobicContact CG2-CZ 3.94Å; I378-Y424 WeakPolarHBondContact O-CE1 3.25Å; I378-Y424 PolarHBondContact O-OH 3.11Å
379	N	68.7	Low	68.7	Low	90 Å²	90	78.1 Å²	78.1	48%	0.481	40%	0.396	S	S	.	.			trans	-91.4	158.4	176	-67.4	-30.6	0	0	0	111.3	D376 I377 A381 L382 Y424	D376-N379 PolarHBondContact O-ND2 3.04Å; D376-N379 PolarHBondContact O-OD1 3.32Å; I377-N379 VanDerWaalsContact C-N 3.33Å; I377-N379 PolarHBondContact O-N 2.92Å; N379-A381 PolarHBondContact O-N 2.82Å; N379-L382 WeakPolarHBondContact O-CB 3.48Å; N379-L382 PolarHBondContact O-N 3.37Å; N379-Y424 WeakPolarHBondContact CA-OH 3.42Å
380	T	66.9	Low	70.9	Confident	86 Å²	86	79 Å²	79	53%	0.528	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-48.6	-31.8	172.9	47.2	0	0	0	0	112.3	L382 F383 Y424 L428	T380-L382 PolarHBondContact O-N 3.09Å; T380-L382 VanDerWaalsContact O-N 3.11Å; T380-F383 PolarHBondContact O-N 3.2Å; T380-Y424 HydrophobicContact CG2-CE2 4.25Å; T380-Y424 PolarHBondContact N-OH 2.99Å; T380-Y424 VanDerWaalsContact N-OH 3.11Å; T380-L428 HydrophobicContact CG2-CD2 3.81Å
381	A	71.4	Confident	72.9	Confident	55 Å²	55	70.8 Å²	70.8	46%	0.455	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-57.6	-22	175	0	0	0	0	0	114.3	N379 F383 K387	N379-A381 PolarHBondContact O-N 2.82Å; A381-F383 PolarHBondContact O-N 3.28Å; A381-K387 WeakPolarHBondContact O-CD 3.25Å; A381-K387 VanDerWaalsContact O-CE 3.26Å; A381-K387 WeakPolarHBondContact O-CE 3.42Å; A381-K387 PolarHBondContact O-NZ 3.33Å
382	L	80.5	Confident	75	Confident	9 Å²	9	71.1 Å²	71.1	5%	0.047	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-68.8	-21.2	177	-167	68.8	0	0	0	112.4	L354 L357 L361 I378 N379 T380 Y391	L354-L382 HydrophobicContact CB-CD2 4.47Å; L357-L382 HydrophobicContact CB-CD1 4.49Å; L361-L382 HydrophobicContact CD1-CD1 3.95Å; I378-L382 HydrophobicContact CG2-CD2 4.46Å; N379-L382 WeakPolarHBondContact O-CB 3.48Å; N379-L382 PolarHBondContact O-N 3.37Å; T380-L382 PolarHBondContact O-N 3.09Å; T380-L382 VanDerWaalsContact O-N 3.11Å; L382-Y391 WeakPolarHBondContact CD1-OH 2.99Å; L382-Y391 PolarHBondContact O-OH 2.84Å
383	F	85.4	Confident	76.9	Confident	18 Å²	18	71.1 Å²	71.1	8%	0.079	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-114.6	20.9	-168.5	-51.1	-68.5	0	0	0	112.9	L354 I378 T380 A381 L388 I402 L406 L428 L432	L354-F383 HydrophobicContact CD2-CE1 4.11Å; L354-F383 HydrophobicContact CD2-CZ 4.13Å; I378-F383 HydrophobicContact CG2-CE2 3.93Å; I378-F383 HydrophobicContact CG2-CZ 3.94Å; T380-F383 PolarHBondContact O-N 3.2Å; A381-F383 PolarHBondContact O-N 3.28Å; F383-L388 WeakPolarHBondContact O-CD1 3.06Å; F383-I402 HydrophobicContact CD1-CG2 3.9Å; F383-I402 HydrophobicContact CE1-CG2 3.58Å; F383-L406 HydrophobicContact CE1-CD1 4.05Å; F383-L406 HydrophobicContact CZ-CD1 4.01Å; F383-L406 HydrophobicContact CZ-CD2 4.07Å; F383-L406 HydrophobicContact CZ-CG 4.43Å; F383-L428 HydrophobicContact CD2-CD1 4.06Å; F383-L428 HydrophobicContact CD2-CD2 3.86Å; F383-L428 HydrophobicContact CD2-CG 4.49Å; F383-L428 HydrophobicContact CE2-CD1 3.63Å; F383-L428 HydrophobicContact CE2-CD2 4.31Å; F383-L428 HydrophobicContact CZ-CD1 4.49Å; F383-L432 HydrophobicContact CB-CD2 4.16Å; F383-L432 HydrophobicContact CD1-CD1 4.36Å
384	S	87.2	Confident	78.7	Confident	43 Å²	43	65.8 Å²	65.8	30%	0.301	33%	0.334	S	S	.	.			trans	-64.1	150.7	170.6	70.4	0	0	0	0	110.6	E386 K387 L388	S384-E386 PolarHBondContact O-N 3.08Å; S384-K387 PolarHBondContact O-N 3.45Å; S384-K387 WeakPolarHBondContact OG-CD 3.49Å; S384-K387 WeakPolarHBondContact OG-CG 3.35Å; S384-L388 WeakPolarHBondContact O-CG 3.35Å; S384-L388 PolarHBondContact O-N 3.39Å
385	Q	85.8	Confident	80.3	Confident	138 Å²	138	66.3 Å²	66.3	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-55.2	-40.1	-177.6	-173.9	175.4	-6.1	0	0	112.6	K387 L388 Q389	Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 2.98Å; Q385-L388 PolarHBondContact O-N 3.13Å; Q385-Q389 WeakPolarHBondContact O-CB 3.4Å; Q385-Q389 PolarHBondContact O-N 2.75Å
386	E	87.1	Confident	81.9	Confident	162 Å²	162	66.1 Å²	66.1	76%	0.757	34%	0.335	S	S	*	.	H	α-helix	trans	-59.7	-40.7	176	-64.4	173.8	175	0	0	112.3	S384 F390	S384-E386 PolarHBondContact O-N 3.08Å; E386-F390 WeakPolarHBondContact O-CB 3.38Å; E386-F390 PolarHBondContact O-N 3.36Å
387	K	88.4	Confident	83.5	Confident	61 Å²	61	59.4 Å²	59.4	27%	0.265	30%	0.3	S	S	.	.	H	α-helix	trans	-75.5	-38.6	179.8	-71.3	169.4	176.7	-167.1	0	112.1	L361 A381 S384 Q385 Q389 F390 Y391	L361-K387 HydrophobicContact CD1-CB 4.41Å; L361-K387 HydrophobicContact CD1-CD 3.45Å; L361-K387 VanDerWaalsContact CD1-CD 3.45Å; L361-K387 HydrophobicContact CD1-CG 3.82Å; L361-K387 HydrophobicContact CD2-CG 4.03Å; A381-K387 WeakPolarHBondContact O-CD 3.25Å; A381-K387 VanDerWaalsContact O-CE 3.26Å; A381-K387 WeakPolarHBondContact O-CE 3.42Å; A381-K387 PolarHBondContact O-NZ 3.33Å; S384-K387 PolarHBondContact O-N 3.45Å; S384-K387 WeakPolarHBondContact OG-CD 3.49Å; S384-K387 WeakPolarHBondContact OG-CG 3.35Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 2.98Å; K387-Q389 VanDerWaalsContact C-N 3.29Å; K387-Q389 PolarHBondContact O-N 2.95Å; K387-F390 WeakPolarHBondContact O-CB 3.29Å; K387-F390 PolarHBondContact O-N 3.28Å; K387-Y391 HydrophobicContact CB-CE2 4.22Å; K387-Y391 WeakPolarHBondContact O-CD2 3.46Å; K387-Y391 PolarHBondContact O-N 3.15Å
388	L	88.8	Confident	85	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-41	173.8	-65.1	172.7	0	0	0	111	F383 S384 Q385 Y391 W392 Y399 I402 L432	F383-L388 WeakPolarHBondContact O-CD1 3.06Å; S384-L388 WeakPolarHBondContact O-CG 3.35Å; S384-L388 PolarHBondContact O-N 3.39Å; Q385-L388 PolarHBondContact O-N 3.13Å; L388-Y391 HydrophobicContact CD2-CD2 4.35Å; L388-Y391 PolarHBondContact O-N 3.03Å; L388-W392 PolarHBondContact O-N 2.87Å; L388-Y399 HydrophobicContact CB-CE1 4.09Å; L388-Y399 HydrophobicContact CB-CE2 4.27Å; L388-Y399 HydrophobicContact CD1-CD1 3.98Å; L388-Y399 HydrophobicContact CD1-CE1 3.36Å; L388-Y399 HydrophobicContact CG-CE1 4.26Å; L388-I402 HydrophobicContact CD2-CD1 3.44Å; L388-I402 VanDerWaalsContact CD2-CD1 3.44Å; L388-L432 HydrophobicContact CD1-CD2 3.43Å; L388-L432 VanDerWaalsContact CD1-CD2 3.43Å; L388-L432 HydrophobicContact CD2-CD2 4Å; L388-L432 HydrophobicContact CG-CD2 4.37Å
389	Q	88.9	Confident	86.1	Confident	84 Å²	84	59.8 Å²	59.8	39%	0.393	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-45	172.9	-170.6	60.2	39.3	0	0	111.2	Q385 K387 Y391 W392 D393	Q385-Q389 WeakPolarHBondContact O-CB 3.4Å; Q385-Q389 PolarHBondContact O-N 2.75Å; K387-Q389 VanDerWaalsContact C-N 3.29Å; K387-Q389 PolarHBondContact O-N 2.95Å; Q389-Y391 VanDerWaalsContact C-N 3.34Å; Q389-Y391 PolarHBondContact O-N 3.35Å; Q389-W392 PolarHBondContact O-N 3.22Å; Q389-W392 VanDerWaalsContact O-N 3.16Å; Q389-D393 WeakPolarHBondContact CG-OD2 3.46Å; Q389-D393 VanDerWaalsContact NE2-CG 3.26Å; Q389-D393 PolarHBondContact NE2-OD1 3.26Å; Q389-D393 PolarHBondContact NE2-OD2 3.21Å; Q389-D393 PolarHBondContact O-N 2.82Å
390	F	91.5	Very high	87.2	Confident	69 Å²	69	57.2 Å²	57.2	30%	0.303	29%	0.286	S	S	.	.	H	α-helix	trans	-56.4	-44.4	174.4	173	-96.7	0	0	0	112.5	Q360 L361 E386 K387 W392 N394 F395	Q360-F390 HydrophobicContact CB-CE1 4.17Å; L361-F390 HydrophobicContact CD2-CD1 3.83Å; L361-F390 HydrophobicContact CD2-CE1 3.99Å; E386-F390 WeakPolarHBondContact O-CB 3.38Å; E386-F390 PolarHBondContact O-N 3.36Å; K387-F390 WeakPolarHBondContact O-CB 3.29Å; K387-F390 PolarHBondContact O-N 3.28Å; F390-W392 VanDerWaalsContact C-N 3.33Å; F390-W392 PolarHBondContact O-N 2.98Å; F390-N394 WeakPolarHBondContact CD2-ND2 3.34Å; F390-N394 HydrophobicContact CE2-CB 4.48Å; F390-N394 VanDerWaalsContact CE2-ND2 3.29Å; F390-N394 WeakPolarHBondContact CE2-ND2 3.39Å; F390-N394 VanDerWaalsContact O-CB 3.3Å; F390-N394 WeakPolarHBondContact O-CB 3.26Å; F390-N394 PolarHBondContact O-N 3.49Å; F390-N394 PolarHBondContact O-ND2 3.03Å; F390-F395 AromaticContact CE1-CE2 3.8Å; F390-F395 HydrophobicContact CE1-CE2 3.8Å; F390-F395 HydrophobicContact CZ-CE2 4.23Å
391	Y	92.2	Very high	88.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-35.2	178	-57.4	-40.9	0	0	0	113.1	L357 L361 L382 K387 L388 Q389 F395 E396 I397 I402	L357-Y391 HydrophobicContact CB-CE1 3.95Å; L357-Y391 HydrophobicContact CB-CE2 4.35Å; L357-Y391 HydrophobicContact CD1-CD2 4.31Å; L357-Y391 HydrophobicContact CD1-CE2 4.13Å; L357-Y391 HydrophobicContact CD2-CD1 4.08Å; L357-Y391 HydrophobicContact CD2-CE1 4.22Å; L357-Y391 HydrophobicContact CD2-CG 4.3Å; L361-Y391 HydrophobicContact CD1-CE1 4.49Å; L361-Y391 WeakPolarHBondContact CD1-OH 3.08Å; L361-Y391 HydrophobicContact CD2-CE1 4.23Å; L361-Y391 HydrophobicContact CG-CE1 4.17Å; L382-Y391 WeakPolarHBondContact CD1-OH 2.99Å; L382-Y391 PolarHBondContact O-OH 2.84Å; K387-Y391 HydrophobicContact CB-CE2 4.22Å; K387-Y391 WeakPolarHBondContact O-CD2 3.46Å; K387-Y391 PolarHBondContact O-N 3.15Å; L388-Y391 HydrophobicContact CD2-CD2 4.35Å; L388-Y391 PolarHBondContact O-N 3.03Å; Q389-Y391 VanDerWaalsContact C-N 3.34Å; Q389-Y391 PolarHBondContact O-N 3.35Å; Y391-F395 HydrophobicContact CD1-CD2 4.4Å; Y391-F395 CarbonylContact O-C 3.59Å; Y391-F395 WeakPolarHBondContact O-CA 3.27Å; Y391-F395 WeakPolarHBondContact O-CB 3.37Å; Y391-F395 PolarHBondContact O-N 3.5Å; Y391-E396 PolarHBondContact O-N 3.29Å; Y391-E396 VanDerWaalsContact O-N 3.08Å; Y391-I397 PolarHBondContact O-N 3.2Å; Y391-I402 HydrophobicContact CD2-CD1 4.07Å
392	W	91	Very high	89.7	Confident	127 Å²	127	51.6 Å²	51.6	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-67.3	-51.8	175.3	178.7	-97	0	0	0	111.2	L388 Q389 F390 N394 E396	L388-W392 PolarHBondContact O-N 2.87Å; Q389-W392 PolarHBondContact O-N 3.22Å; Q389-W392 VanDerWaalsContact O-N 3.16Å; F390-W392 VanDerWaalsContact C-N 3.33Å; F390-W392 PolarHBondContact O-N 2.98Å; W392-N394 PolarHBondContact O-N 3.31Å; W392-E396 WeakPolarHBondContact O-CA 3.24Å; W392-E396 PolarHBondContact O-N 3.2Å
393	D	90	Very high	90.4	Very high	90 Å²	90	51.8 Å²	51.8	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-40.9	-175.8	-64.4	-24.2	0	0	0	111.7	K321 Q389	K321-D393 PolarHBondContact NZ-O 3.17Å; Q389-D393 WeakPolarHBondContact CG-OD2 3.46Å; Q389-D393 VanDerWaalsContact NE2-CG 3.26Å; Q389-D393 PolarHBondContact NE2-OD1 3.26Å; Q389-D393 PolarHBondContact NE2-OD2 3.21Å; Q389-D393 PolarHBondContact O-N 2.82Å
394	N	88	Confident	90.9	Very high	73 Å²	73	54.6 Å²	54.6	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-88.8	-30.4	-174.7	-67.7	-86.4	0	0	0	113.4	K321 F390 W392	K321-N394 WeakPolarHBondContact CD-O 3.4Å; K321-N394 WeakPolarHBondContact CE-O 3.12Å; K321-N394 PolarHBondContact NZ-O 2.98Å; F390-N394 WeakPolarHBondContact CD2-ND2 3.34Å; F390-N394 HydrophobicContact CE2-CB 4.48Å; F390-N394 VanDerWaalsContact CE2-ND2 3.29Å; F390-N394 WeakPolarHBondContact CE2-ND2 3.39Å; F390-N394 VanDerWaalsContact O-CB 3.3Å; F390-N394 WeakPolarHBondContact O-CB 3.26Å; F390-N394 PolarHBondContact O-N 3.49Å; F390-N394 PolarHBondContact O-ND2 3.03Å; W392-N394 PolarHBondContact O-N 3.31Å
395	F	89.8	Confident	91.4	Very high	31 Å²	31	52.5 Å²	52.5	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-131.6	-2.1	-172.2	-49.6	-65.7	0	0	0	114.2	L323 R324 Q360 F390 Y391 I397	L323-F395 HydrophobicContact CB-CD1 4.14Å; L323-F395 HydrophobicContact CD2-CB 4.47Å; L323-F395 HydrophobicContact CD2-CD1 3.49Å; L323-F395 VanDerWaalsContact CD2-CD1 3.49Å; L323-F395 HydrophobicContact CD2-CD2 3.94Å; L323-F395 HydrophobicContact CD2-CE1 3.54Å; L323-F395 HydrophobicContact CD2-CE2 4.01Å; L323-F395 HydrophobicContact CD2-CG 3.7Å; L323-F395 HydrophobicContact CD2-CZ 3.8Å; L323-F395 HydrophobicContact CG-CD1 4.34Å; R324-F395 WeakPolarHBondContact CB-O 3.49Å; R324-F395 WeakPolarHBondContact CD-O 3.34Å; R324-F395 VanDerWaalsContact CG-O 3.23Å; R324-F395 WeakPolarHBondContact CG-O 3.49Å; Q360-F395 HydrophobicContact CB-CE2 3.88Å; Q360-F395 HydrophobicContact CB-CZ 4.1Å; Q360-F395 HydrophobicContact CG-CE2 3.67Å; Q360-F395 HydrophobicContact CG-CZ 3.72Å; F390-F395 AromaticContact CE1-CE2 3.8Å; F390-F395 HydrophobicContact CE1-CE2 3.8Å; F390-F395 HydrophobicContact CZ-CE2 4.23Å; Y391-F395 HydrophobicContact CD1-CD2 4.4Å; Y391-F395 CarbonylContact O-C 3.59Å; Y391-F395 WeakPolarHBondContact O-CA 3.27Å; Y391-F395 WeakPolarHBondContact O-CB 3.37Å; Y391-F395 PolarHBondContact O-N 3.5Å; F395-I397 HydrophobicContact CB-CD1 3.85Å; F395-I397 HydrophobicContact CB-CG1 3.87Å; F395-I397 PolarHBondContact O-N 3.42Å; F395-I397 VanDerWaalsContact O-N 3.16Å
396	E	90.7	Very high	91.9	Very high	56 Å²	56	46 Å²	46	26%	0.262	21%	0.213	S	C	.	.			trans	53.8	31.6	-176.1	-51.3	173.3	165.1	0	0	112.7	R324 Y391 W392	R324-E396 IonicContact CZ-OE2 3.32Å; R324-E396 PolarHBondContact NE-O 3.17Å; R324-E396 IonicContact NH1-OE2 3.89Å; R324-E396 PolarHBondContact NH1-OE2 3.02Å; Y391-E396 PolarHBondContact O-N 3.29Å; Y391-E396 VanDerWaalsContact O-N 3.08Å; W392-E396 WeakPolarHBondContact O-CA 3.24Å; W392-E396 PolarHBondContact O-N 3.2Å
397	I	92.1	Very high	92.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	19%	0.186	C	C	.	.			trans	-85.5	115.9	175.1	-64.7	175.3	0	0	0	107.3	R324 F327 L357 Y391 F395 D401 I402	R324-I397 HydrophobicContact CB-CG1 4.45Å; R324-I397 HydrophobicContact CG-CG1 4.17Å; F327-I397 HydrophobicContact CB-CD1 4.08Å; F327-I397 HydrophobicContact CD1-CG2 4.15Å; F327-I397 HydrophobicContact CD2-CD1 4.34Å; F327-I397 HydrophobicContact CE1-CG2 4.03Å; F327-I397 HydrophobicContact CG-CD1 4.07Å; F327-I397 HydrophobicContact CZ-CG2 4.37Å; L357-I397 HydrophobicContact CD2-CD1 3.54Å; Y391-I397 PolarHBondContact O-N 3.2Å; F395-I397 HydrophobicContact CB-CD1 3.85Å; F395-I397 HydrophobicContact CB-CG1 3.87Å; F395-I397 PolarHBondContact O-N 3.42Å; F395-I397 VanDerWaalsContact O-N 3.16Å; I397-D401 HydrophobicContact CG2-CB 4.32Å; I397-I402 HydrophobicContact CG2-CD1 4.21Å; I397-I402 HydrophobicContact CG2-CG1 3.88Å
398	S	91.9	Very high	92.8	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.133	18%	0.179	C	C	.	.			trans	-84	161.6	-175.2	74.3	0	0	0	0	112.9	Q400 D401 I402	S398-Q400 PolarHBondContact O-N 2.73Å; S398-Q400 PolarHBondContact OG-N 3.11Å; S398-D401 WeakPolarHBondContact CB-OD2 3.36Å; S398-D401 PolarHBondContact N-OD2 2.93Å; S398-D401 PolarHBondContact O-N 3.38Å; S398-D401 PolarHBondContact OG-N 3.04Å; S398-D401 PolarHBondContact OG-OD2 2.9Å; S398-I402 PolarHBondContact O-N 2.66Å; S398-I402 VanDerWaalsContact O-N 3.15Å
399	Y	92.2	Very high	93.1	Very high	36 Å²	36	38.8 Å²	38.8	14%	0.141	18%	0.178	C	C	.	.	H	α-helix	trans	-53.2	-37.9	167.9	-71.2	-107.1	0	0	0	111.8	L388 H403 L432 Q436	L388-Y399 HydrophobicContact CB-CE1 4.09Å; L388-Y399 HydrophobicContact CB-CE2 4.27Å; L388-Y399 HydrophobicContact CD1-CD1 3.98Å; L388-Y399 HydrophobicContact CD1-CE1 3.36Å; L388-Y399 HydrophobicContact CG-CE1 4.26Å; Y399-H403 WeakPolarHBondContact O-CB 3.26Å; Y399-H403 PolarHBondContact O-N 3.05Å; Y399-L432 HydrophobicContact CD1-CD2 4.4Å; Y399-Q436 VanDerWaalsContact CB-OE1 3.28Å; Y399-Q436 HydrophobicContact CD1-CB 4.14Å; Y399-Q436 HydrophobicContact CD1-CG 4.45Å; Y399-Q436 HydrophobicContact CG-CB 4.44Å; Y399-Q436 HydrophobicContact CG-CG 4.28Å
400	Q	92.1	Very high	93.5	Very high	37 Å²	37	34.8 Å²	34.8	17%	0.173	16%	0.159	C	C	.	.	H	α-helix	trans	-68.8	-34.9	178.3	-61.7	-173.6	-2.6	0	0	112.2	S398 K404 N460 Q463	S398-Q400 PolarHBondContact O-N 2.73Å; S398-Q400 PolarHBondContact OG-N 3.11Å; Q400-K404 WeakPolarHBondContact O-CB 3.07Å; Q400-K404 WeakPolarHBondContact O-CD 3.39Å; Q400-K404 WeakPolarHBondContact O-CG 3.29Å; Q400-K404 PolarHBondContact O-N 3.3Å; Q400-N460 PolarHBondContact NE2-OD1 3.01Å; Q400-Q463 VanDerWaalsContact NE2-OE1 3.12Å
401	D	94.4	Very high	93.9	Very high	22 Å²	22	34.2 Å²	34.2	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-69	-42	178.4	-61.2	-44	0	0	0	110.8	F327 I397 S398 K404 V405	F327-D401 HydrophobicContact CD1-CB 4.37Å; F327-D401 HydrophobicContact CE1-CB 3.95Å; I397-D401 HydrophobicContact CG2-CB 4.32Å; S398-D401 WeakPolarHBondContact CB-OD2 3.36Å; S398-D401 PolarHBondContact N-OD2 2.93Å; S398-D401 PolarHBondContact O-N 3.38Å; S398-D401 PolarHBondContact OG-N 3.04Å; S398-D401 PolarHBondContact OG-OD2 2.9Å; D401-K404 PolarHBondContact O-N 3.43Å; D401-K404 IonicContact OD1-NZ 3.43Å; D401-K404 PolarHBondContact OD1-NZ 3.1Å; D401-V405 WeakPolarHBondContact O-CG2 3.36Å; D401-V405 PolarHBondContact O-N 3.28Å; D401-V405 VanDerWaalsContact O-N 3.17Å
402	I	95.4	Very high	94.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-45.3	174.6	-62.7	171.6	0	0	0	110.7	F327 L357 F383 L388 Y391 I397 S398 K404 V405 L406 L432	F327-I402 HydrophobicContact CZ-CG1 4.17Å; L357-I402 HydrophobicContact CD1-CD1 4.24Å; L357-I402 HydrophobicContact CD1-CG1 4.18Å; F383-I402 HydrophobicContact CD1-CG2 3.9Å; F383-I402 HydrophobicContact CE1-CG2 3.58Å; L388-I402 HydrophobicContact CD2-CD1 3.44Å; L388-I402 VanDerWaalsContact CD2-CD1 3.44Å; Y391-I402 HydrophobicContact CD2-CD1 4.07Å; I397-I402 HydrophobicContact CG2-CD1 4.21Å; I397-I402 HydrophobicContact CG2-CG1 3.88Å; S398-I402 PolarHBondContact O-N 2.66Å; S398-I402 VanDerWaalsContact O-N 3.15Å; I402-K404 PolarHBondContact O-N 3.34Å; I402-V405 PolarHBondContact O-N 3.17Å; I402-L406 HydrophobicContact CG2-CD1 3.96Å; I402-L406 HydrophobicContact CG2-CG 4.5Å; I402-L406 PolarHBondContact O-N 3.19Å; I402-L432 HydrophobicContact CG2-CD1 3.78Å
403	H	95.4	Very high	94.3	Very high	13 Å²	13	28.4 Å²	28.4	6%	0.06	14%	0.136	C	C	.	.	H	α-helix	trans	-55.6	-48.5	173.8	169.7	-82	0	0	0	111.7	Y399 V405 L406 F407 M433 A467 S471	Y399-H403 WeakPolarHBondContact O-CB 3.26Å; Y399-H403 PolarHBondContact O-N 3.05Å; H403-V405 VanDerWaalsContact C-N 3.27Å; H403-V405 PolarHBondContact O-N 3.21Å; H403-L406 PolarHBondContact O-N 2.79Å; H403-F407 WeakPolarHBondContact O-CB 2.94Å; H403-F407 PolarHBondContact O-N 2.8Å; H403-M433 HydrophobicContact CB-CE 3.79Å; H403-M433 HydrophobicContact CB-SD 4.12Å; H403-A467 PolarHBondContact NE2-O 3.31Å; H403-S471 PolarHBondContact NE2-OG 3.27Å
404	K	96.4	Very high	94.7	Very high	76 Å²	76	26.1 Å²	26.1	33%	0.33	12%	0.121	S	C	.	.	H	α-helix	trans	-56.5	-42.8	178.9	-74.5	163.6	-164.5	160.8	0	111.4	Q400 D401 I402 R408	Q400-K404 WeakPolarHBondContact O-CB 3.07Å; Q400-K404 WeakPolarHBondContact O-CD 3.39Å; Q400-K404 WeakPolarHBondContact O-CG 3.29Å; Q400-K404 PolarHBondContact O-N 3.3Å; D401-K404 PolarHBondContact O-N 3.43Å; D401-K404 IonicContact OD1-NZ 3.43Å; D401-K404 PolarHBondContact OD1-NZ 3.1Å; I402-K404 PolarHBondContact O-N 3.34Å; K404-R408 VanDerWaalsContact O-CB 3.29Å; K404-R408 WeakPolarHBondContact O-CB 3.48Å; K404-R408 VanDerWaalsContact O-CD 3.24Å; K404-R408 WeakPolarHBondContact O-CD 3.36Å; K404-R408 WeakPolarHBondContact O-CG 3.37Å; K404-R408 PolarHBondContact O-N 3.22Å
405	V	96.7	Very high	95.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-50.9	179.5	171.7	0	0	0	0	111.5	F327 S331 C350 A353 L354 D401 I402 H403 F407 R408 R409	F327-V405 HydrophobicContact CD1-CG2 4.48Å; F327-V405 HydrophobicContact CE1-CG2 3.64Å; F327-V405 HydrophobicContact CE2-CG2 4.43Å; F327-V405 HydrophobicContact CZ-CB 4.18Å; F327-V405 HydrophobicContact CZ-CG2 3.62Å; S331-V405 WeakPolarHBondContact OG-CG2 3.17Å; C350-V405 HydrophobicContact CB-CG1 3.81Å; C350-V405 WeakPolarHBondContact O-CG1 3.34Å; C350-V405 PolarHBondContact SG-O 3.37Å; A353-V405 HydrophobicContact CB-CG1 4.1Å; A353-V405 HydrophobicContact CB-CG2 4.3Å; L354-V405 HydrophobicContact CD1-CG1 4.06Å; L354-V405 HydrophobicContact CD2-CG1 4.05Å; L354-V405 HydrophobicContact CG-CG1 3.74Å; D401-V405 WeakPolarHBondContact O-CG2 3.36Å; D401-V405 PolarHBondContact O-N 3.28Å; D401-V405 VanDerWaalsContact O-N 3.17Å; I402-V405 PolarHBondContact O-N 3.17Å; H403-V405 VanDerWaalsContact C-N 3.27Å; H403-V405 PolarHBondContact O-N 3.21Å; V405-F407 PolarHBondContact O-N 3Å; V405-R408 PolarHBondContact O-N 2.92Å; V405-R409 WeakPolarHBondContact O-CB 3.44Å; V405-R409 PolarHBondContact O-N 3.42Å
406	L	96	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-44.6	178.1	-74.5	169.2	0	0	0	111.6	L354 F383 I402 H403 R408 R409 A410 L428 C429 L432	L354-L406 HydrophobicContact CD1-CD2 3.66Å; L354-L406 HydrophobicContact CD1-CG 4.31Å; F383-L406 HydrophobicContact CE1-CD1 4.05Å; F383-L406 HydrophobicContact CZ-CD1 4.01Å; F383-L406 HydrophobicContact CZ-CD2 4.07Å; F383-L406 HydrophobicContact CZ-CG 4.43Å; I402-L406 HydrophobicContact CG2-CD1 3.96Å; I402-L406 HydrophobicContact CG2-CG 4.5Å; I402-L406 PolarHBondContact O-N 3.19Å; H403-L406 PolarHBondContact O-N 2.79Å; L406-R408 PolarHBondContact O-N 2.8Å; L406-R409 WeakPolarHBondContact O-CB 3.48Å; L406-R409 PolarHBondContact O-N 3.29Å; L406-A410 WeakPolarHBondContact O-CB 3.5Å; L406-A410 PolarHBondContact O-N 2.96Å; L406-L428 HydrophobicContact CD1-CB 4.08Å; L406-L428 HydrophobicContact CD2-CD1 4.31Å; L406-C429 WeakPolarHBondContact CB-SG 3.19Å; L406-L432 HydrophobicContact CD1-CD1 3.55Å
407	F	97.9	Very high	95.5	Very high	42 Å²	42	26.2 Å²	26.2	18%	0.184	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-43.2	179.6	-176.1	-94	0	0	0	112.2	H403 V405 R409 A410 Q411 L426 A470 L474	H403-F407 WeakPolarHBondContact O-CB 2.94Å; H403-F407 PolarHBondContact O-N 2.8Å; V405-F407 PolarHBondContact O-N 3Å; F407-R409 VanDerWaalsContact C-N 3.28Å; F407-R409 PolarHBondContact O-N 3.19Å; F407-A410 PolarHBondContact O-N 3.27Å; F407-Q411 WeakPolarHBondContact O-CB 3.44Å; F407-Q411 PolarHBondContact O-N 3.4Å; F407-L426 HydrophobicContact CD2-CD2 4.13Å; F407-L426 HydrophobicContact CE2-CD2 4.36Å; F407-A470 HydrophobicContact CE2-CB 4.07Å; F407-A470 HydrophobicContact CZ-CB 4.12Å; F407-L474 HydrophobicContact CE2-CB 4.28Å; F407-L474 HydrophobicContact CE2-CD2 3.98Å; F407-L474 HydrophobicContact CZ-CD2 4.13Å
408	R	97.6	Very high	95.5	Very high	32 Å²	32	29.6 Å²	29.6	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-63.1	-36.4	175.3	-72.5	165.5	-168	-173.7	3.4	111.3	S331 N332 L338 K404 V405 L406 S412	S331-R408 PolarHBondContact O-NH1 3.42Å; S331-R408 PolarHBondContact OG-NH1 2.92Å; N332-R408 PolarHBondContact OD1-NH1 3.42Å; L338-R408 HydrophobicContact CD2-CB 4.26Å; L338-R408 HydrophobicContact CD2-CG 4.25Å; K404-R408 VanDerWaalsContact O-CB 3.29Å; K404-R408 WeakPolarHBondContact O-CB 3.48Å; K404-R408 VanDerWaalsContact O-CD 3.24Å; K404-R408 WeakPolarHBondContact O-CD 3.36Å; K404-R408 WeakPolarHBondContact O-CG 3.37Å; K404-R408 PolarHBondContact O-N 3.22Å; V405-R408 PolarHBondContact O-N 2.92Å; L406-R408 PolarHBondContact O-N 2.8Å; R408-S412 PolarHBondContact O-N 2.9Å; R408-S412 VanDerWaalsContact O-N 3.11Å; R408-S412 PolarHBondContact O-OG 2.97Å
409	R	96	Very high	95.7	Very high	5 Å²	5	29 Å²	29	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-47.3	176.1	-166.4	170.2	70.4	163.2	-0.5	112	A347 C350 S351 V405 L406 F407 Q411 S412 Y413 D425	A347-R409 HydrophobicContact CB-CG 4.29Å; C350-R409 HydrophobicContact CB-CB 3.65Å; C350-R409 HydrophobicContact CB-CG 4.04Å; S351-R409 VanDerWaalsContact OG-CD 3.29Å; S351-R409 WeakPolarHBondContact OG-CD 3.46Å; S351-R409 PolarHBondContact OG-NH1 3.42Å; S351-R409 VanDerWaalsContact OG-NH1 3.13Å; V405-R409 WeakPolarHBondContact O-CB 3.44Å; V405-R409 PolarHBondContact O-N 3.42Å; L406-R409 WeakPolarHBondContact O-CB 3.48Å; L406-R409 PolarHBondContact O-N 3.29Å; F407-R409 VanDerWaalsContact C-N 3.28Å; F407-R409 PolarHBondContact O-N 3.19Å; R409-Q411 VanDerWaalsContact C-N 3.31Å; R409-Q411 PolarHBondContact O-N 2.97Å; R409-S412 CarbonylContact O-C 3.55Å; R409-S412 WeakPolarHBondContact O-CA 3.32Å; R409-S412 VanDerWaalsContact O-CB 3.25Å; R409-S412 WeakPolarHBondContact O-CB 3.4Å; R409-S412 PolarHBondContact O-N 2.91Å; R409-Y413 HydrophobicContact CG-CD2 4.01Å; R409-Y413 HydrophobicContact CG-CE2 3.5Å; R409-Y413 VanDerWaalsContact CG-CE2 3.5Å; R409-Y413 PolarHBondContact O-N 3.31Å; R409-D425 WeakPolarHBondContact CB-OD2 3.29Å; R409-D425 VanDerWaalsContact CG-OD2 3.32Å; R409-D425 WeakPolarHBondContact CG-OD2 3.37Å; R409-D425 IonicContact CZ-OD1 3.23Å; R409-D425 IonicContact CZ-OD2 2.72Å; R409-D425 IonicContact NE-OD1 3.78Å; R409-D425 PolarHBondContact NE-OD1 3.03Å; R409-D425 IonicContact NE-OD2 3.31Å; R409-D425 PolarHBondContact NE-OD2 3.2Å; R409-D425 IonicContact NH2-OD1 3.77Å; R409-D425 PolarHBondContact NH2-OD1 3.43Å; R409-D425 IonicContact NH2-OD2 2.87Å
410	A	97.1	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-54.5	-45.8	173.1	0	0	0	0	0	112.3	L406 F407 S412 Y413 F414 D425 L426	L406-A410 WeakPolarHBondContact O-CB 3.5Å; L406-A410 PolarHBondContact O-N 2.96Å; F407-A410 PolarHBondContact O-N 3.27Å; A410-S412 VanDerWaalsContact C-N 3.26Å; A410-S412 PolarHBondContact O-N 3.27Å; A410-Y413 PolarHBondContact O-N 3.32Å; A410-F414 WeakPolarHBondContact O-CB 3.18Å; A410-F414 PolarHBondContact O-N 3.24Å; A410-D425 HydrophobicContact CB-CB 3.73Å; A410-L426 HydrophobicContact CB-CD1 4.23Å; A410-L426 HydrophobicContact CB-CD2 3.82Å; A410-L426 HydrophobicContact CB-CG 3.65Å
411	Q	98.2	Very high	95.7	Very high	57 Å²	57	33.6 Å²	33.6	27%	0.266	17%	0.165	S	C	.	.	H	α-helix	trans	-62.4	-37.2	177.1	-166.6	178.3	-18.7	0	0	111.6	L338 F407 R409 N415 L474	L338-Q411 HydrophobicContact CD1-CB 4.24Å; L338-Q411 HydrophobicContact CD1-CG 4.04Å; L338-Q411 HydrophobicContact CD2-CB 4.14Å; L338-Q411 HydrophobicContact CD2-CG 4.25Å; F407-Q411 WeakPolarHBondContact O-CB 3.44Å; F407-Q411 PolarHBondContact O-N 3.4Å; R409-Q411 VanDerWaalsContact C-N 3.31Å; R409-Q411 PolarHBondContact O-N 2.97Å; Q411-N415 WeakPolarHBondContact O-CB 3.5Å; Q411-N415 PolarHBondContact O-N 3.44Å; Q411-N415 PolarHBondContact O-ND2 3.02Å; Q411-N415 PolarHBondContact O-OD1 3.2Å; Q411-L474 HydrophobicContact CB-CD2 4.07Å; Q411-L474 HydrophobicContact CG-CD2 4.42Å
412	S	96.7	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-44.2	175.3	-57.7	0	0	0	0	112.2	N343 C346 R408 R409 A410 N415 Q416	N343-S412 WeakPolarHBondContact O-CB 3.32Å; C346-S412 VanDerWaalsContact CB-OG 3.26Å; C346-S412 WeakPolarHBondContact CB-OG 3.33Å; C346-S412 PolarHBondContact SG-OG 2.84Å; R408-S412 PolarHBondContact O-N 2.9Å; R408-S412 VanDerWaalsContact O-N 3.11Å; R408-S412 PolarHBondContact O-OG 2.97Å; R409-S412 CarbonylContact O-C 3.55Å; R409-S412 WeakPolarHBondContact O-CA 3.32Å; R409-S412 VanDerWaalsContact O-CB 3.25Å; R409-S412 WeakPolarHBondContact O-CB 3.4Å; R409-S412 PolarHBondContact O-N 2.91Å; A410-S412 VanDerWaalsContact C-N 3.26Å; A410-S412 PolarHBondContact O-N 3.27Å; S412-N415 PolarHBondContact O-N 3.08Å; S412-Q416 VanDerWaalsContact O-CG 3.29Å; S412-Q416 WeakPolarHBondContact O-CG 2.84Å; S412-Q416 PolarHBondContact O-N 3.45Å; S412-Q416 PolarHBondContact O-NE2 2.72Å
413	Y	96.1	Very high	95.7	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.02	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-43.1	176.5	-71.7	-37.1	0	0	0	112.1	A347 Q375 R409 A410 N415 Q416 G417 K418 E421 D425	A347-Y413 HydrophobicContact CB-CD1 4.34Å; A347-Y413 HydrophobicContact CB-CE1 3.89Å; Q375-Y413 VanDerWaalsContact CD-OH 3.23Å; Q375-Y413 VanDerWaalsContact CG-OH 3.32Å; Q375-Y413 WeakPolarHBondContact CG-OH 3.42Å; Q375-Y413 PolarHBondContact NE2-OH 2.88Å; Q375-Y413 VanDerWaalsContact NE2-OH 3.08Å; R409-Y413 HydrophobicContact CG-CD2 4.01Å; R409-Y413 HydrophobicContact CG-CE2 3.5Å; R409-Y413 VanDerWaalsContact CG-CE2 3.5Å; R409-Y413 PolarHBondContact O-N 3.31Å; A410-Y413 PolarHBondContact O-N 3.32Å; Y413-N415 VanDerWaalsContact C-N 3.29Å; Y413-N415 PolarHBondContact O-N 3.48Å; Y413-Q416 CarbonylContact O-C 3.55Å; Y413-Q416 PolarHBondContact O-N 2.66Å; Y413-G417 PolarHBondContact O-N 2.81Å; Y413-K418 WeakPolarHBondContact CB-O 3.09Å; Y413-K418 HydrophobicContact CD1-CB 4.08Å; Y413-K418 HydrophobicContact CD1-CD 3.75Å; Y413-K418 HydrophobicContact CE1-CD 4.14Å; Y413-K418 HydrophobicContact CG-CB 4.29Å; Y413-K418 PolarHBondContact O-N 2.89Å; Y413-E421 HydrophobicContact CD1-CB 4.38Å; Y413-E421 HydrophobicContact CD2-CB 3.58Å; Y413-E421 HydrophobicContact CE2-CB 3.75Å; Y413-E421 HydrophobicContact CG-CB 3.93Å; Y413-D425 WeakPolarHBondContact CE2-OD2 3.44Å
414	F	97.5	Very high	95.6	Very high	41 Å²	41	38.4 Å²	38.4	18%	0.18	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-44.8	173.4	174.9	-99.9	0	0	0	111.7	A410 Q416 G417 M419 A422 L474 K477 V478 R481	A410-F414 WeakPolarHBondContact O-CB 3.18Å; A410-F414 PolarHBondContact O-N 3.24Å; F414-Q416 VanDerWaalsContact C-N 3.32Å; F414-Q416 PolarHBondContact O-N 3.43Å; F414-G417 PolarHBondContact O-N 3.42Å; F414-M419 HydrophobicContact CD2-CE 3.91Å; F414-M419 HydrophobicContact CD2-SD 4.01Å; F414-M419 HydrophobicContact CE2-CE 4.39Å; F414-M419 HydrophobicContact CE2-SD 4.4Å; F414-M419 WeakPolarHBondContact O-CE 3.36Å; F414-A422 HydrophobicContact CB-CB 4.25Å; F414-L474 HydrophobicContact CD1-CD1 4.24Å; F414-L474 HydrophobicContact CG-CD1 4.2Å; F414-K477 HydrophobicContact CE2-CB 4.18Å; F414-K477 HydrophobicContact CZ-CB 4.27Å; F414-V478 HydrophobicContact CB-CG2 4.4Å; F414-V478 HydrophobicContact CD2-CG2 3.65Å; F414-V478 HydrophobicContact CE2-CG2 4.39Å; F414-V478 HydrophobicContact CG-CG2 4.39Å; F414-R481 PolarHBondContact O-NH1 3.44Å; F414-R481 VanDerWaalsContact O-NH1 3.09Å
415	N	96.9	Very high	95.4	Very high	70 Å²	70	34.8 Å²	34.8	37%	0.374	17%	0.168	S	C	.	.	H	α-helix	trans	-67.2	-31.3	177.3	-68.8	-16.2	0	0	0	112.8	N343 Q411 S412 Y413 G417	N343-N415 HydrophobicContact CB-CB 4.31Å; N343-N415 VanDerWaalsContact CG-CB 3.42Å; N343-N415 WeakPolarHBondContact ND2-CB 3.43Å; N343-N415 WeakPolarHBondContact OD1-CB 3.31Å; N343-N415 PolarHBondContact OD1-ND2 3.26Å; Q411-N415 WeakPolarHBondContact O-CB 3.5Å; Q411-N415 PolarHBondContact O-N 3.44Å; Q411-N415 PolarHBondContact O-ND2 3.02Å; Q411-N415 PolarHBondContact O-OD1 3.2Å; S412-N415 PolarHBondContact O-N 3.08Å; Y413-N415 VanDerWaalsContact C-N 3.29Å; Y413-N415 PolarHBondContact O-N 3.48Å; N415-G417 VanDerWaalsContact C-N 3.32Å
416	Q	94.9	Very high	95.4	Very high	68 Å²	68	34.8 Å²	34.8	32%	0.318	17%	0.168	S	C	.	.	H	α-helix	trans	-77.7	-13.5	175	-71.7	172.6	51.8	0	0	113.5	N343 S412 Y413 F414 K418	N343-Q416 VanDerWaalsContact C-NE2 3.32Å; N343-Q416 HydrophobicContact CB-CG 3.85Å; N343-Q416 PolarHBondContact O-NE2 3.21Å; S412-Q416 VanDerWaalsContact O-CG 3.29Å; S412-Q416 WeakPolarHBondContact O-CG 2.84Å; S412-Q416 PolarHBondContact O-N 3.45Å; S412-Q416 PolarHBondContact O-NE2 2.72Å; Y413-Q416 CarbonylContact O-C 3.55Å; Y413-Q416 PolarHBondContact O-N 2.66Å; F414-Q416 VanDerWaalsContact C-N 3.32Å; F414-Q416 PolarHBondContact O-N 3.43Å; Q416-K418 HydrophobicContact CB-CD 4.5Å; Q416-K418 HydrophobicContact CB-CG 4.35Å
417	G	94	Very high	95.3	Very high	25 Å²	25	39 Å²	39	26%	0.258	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	5.7	-172.8	0	0	0	0	0	114.6	Y413 F414 N415 M419	Y413-G417 PolarHBondContact O-N 2.81Å; F414-G417 PolarHBondContact O-N 3.42Å; N415-G417 VanDerWaalsContact C-N 3.32Å; G417-M419 PolarHBondContact O-N 3Å; G417-M419 VanDerWaalsContact O-N 3.09Å
418	K	92.8	Very high	95.1	Very high	72 Å²	72	37.2 Å²	37.2	31%	0.313	18%	0.18	S	C	.	.			trans	-81.1	77.5	176.6	-75.5	-177.8	174.4	-175	0	110.2	Y413 Q416 E421 A422	Y413-K418 WeakPolarHBondContact CB-O 3.09Å; Y413-K418 HydrophobicContact CD1-CB 4.08Å; Y413-K418 HydrophobicContact CD1-CD 3.75Å; Y413-K418 HydrophobicContact CE1-CD 4.14Å; Y413-K418 HydrophobicContact CG-CB 4.29Å; Y413-K418 PolarHBondContact O-N 2.89Å; Q416-K418 HydrophobicContact CB-CD 4.5Å; Q416-K418 HydrophobicContact CB-CG 4.35Å; K418-E421 VanDerWaalsContact CB-OE2 3.32Å; K418-E421 WeakPolarHBondContact CB-OE2 3.4Å; K418-A422 VanDerWaalsContact O-CB 3.31Å; K418-A422 WeakPolarHBondContact O-CB 3.35Å; K418-A422 PolarHBondContact O-N 3.11Å; K418-A422 VanDerWaalsContact O-N 3.12Å
419	M	94.8	Very high	94.9	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.034	17%	0.174	C	C	.	.	H	α-helix	trans	-71.4	-38.9	-169.8	-65.9	-62.6	124.1	0	0	113.3	F414 G417 A422 K423 V478 R481 M482	F414-M419 HydrophobicContact CD2-CE 3.91Å; F414-M419 HydrophobicContact CD2-SD 4.01Å; F414-M419 HydrophobicContact CE2-CE 4.39Å; F414-M419 HydrophobicContact CE2-SD 4.4Å; F414-M419 WeakPolarHBondContact O-CE 3.36Å; G417-M419 PolarHBondContact O-N 3Å; G417-M419 VanDerWaalsContact O-N 3.09Å; M419-A422 PolarHBondContact O-N 3.37Å; M419-K423 VanDerWaalsContact O-CB 3.31Å; M419-K423 WeakPolarHBondContact O-CB 3.32Å; M419-K423 PolarHBondContact O-N 3.49Å; M419-V478 HydrophobicContact CB-CG1 4.31Å; M419-V478 WeakPolarHBondContact O-CG1 3.34Å; M419-V478 HydrophobicContact SD-CG1 4.12Å; M419-R481 HydrophobicContact CE-CG 4.01Å; M419-R481 VanDerWaalsContact CE-NE 3.32Å; M419-R481 VanDerWaalsContact CE-NH1 3.34Å; M419-R481 HydrophobicContact CG-CG 4.33Å; M419-R481 HydrophobicContact SD-CB 3.83Å; M419-R481 HydrophobicContact SD-CG 3.72Å; M419-M482 HydrophobicContact CB-CG 3.42Å; M419-M482 VanDerWaalsContact CB-CG 3.42Å; M419-M482 HydrophobicContact CB-SD 4.04Å; M419-M482 HydrophobicContact CG-CG 3.86Å
420	D	92.7	Very high	94.9	Very high	111 Å²	111	36.3 Å²	36.3	59%	0.594	18%	0.177	S	C	*	.	H	α-helix	trans	-64.9	-43.6	-178.1	-66.5	-45.5	0	0	0	110.7	K423 Y424 M482	D420-K423 PolarHBondContact O-N 3.35Å; D420-Y424 PolarHBondContact O-N 3.26Å; D420-M482 WeakPolarHBondContact OD1-CE 3.29Å
421	E	91.9	Very high	94.7	Very high	59 Å²	59	42.2 Å²	42.2	28%	0.276	21%	0.205	S	C	.	.	H	α-helix	trans	-71.2	-36.8	178	-53.2	100.9	122.2	0	0	112	Y413 K418 K423 D425	Y413-E421 HydrophobicContact CD1-CB 4.38Å; Y413-E421 HydrophobicContact CD2-CB 3.58Å; Y413-E421 HydrophobicContact CE2-CB 3.75Å; Y413-E421 HydrophobicContact CG-CB 3.93Å; K418-E421 VanDerWaalsContact CB-OE2 3.32Å; K418-E421 WeakPolarHBondContact CB-OE2 3.4Å; E421-K423 VanDerWaalsContact C-N 3.33Å; E421-D425 PolarHBondContact O-N 2.81Å; E421-D425 VanDerWaalsContact O-N 3.16Å
422	A	94.8	Very high	94.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-42.8	172.8	0	0	0	0	0	111.6	F414 K418 M419 L426 V478	F414-A422 HydrophobicContact CB-CB 4.25Å; K418-A422 VanDerWaalsContact O-CB 3.31Å; K418-A422 WeakPolarHBondContact O-CB 3.35Å; K418-A422 PolarHBondContact O-N 3.11Å; K418-A422 VanDerWaalsContact O-N 3.12Å; M419-A422 PolarHBondContact O-N 3.37Å; A422-L426 VanDerWaalsContact O-CD1 3.25Å; A422-L426 WeakPolarHBondContact O-CD1 3.44Å; A422-L426 WeakPolarHBondContact O-CG 3.34Å; A422-L426 PolarHBondContact O-N 2.97Å; A422-V478 HydrophobicContact CB-CG1 4.41Å; A422-V478 HydrophobicContact CB-CG2 3.94Å
423	K	95.1	Very high	94.2	Very high	64 Å²	64	39.8 Å²	39.8	28%	0.278	19%	0.194	S	C	.	.	H	α-helix	trans	-62.2	-49.5	178.5	177.2	174.6	173	-175.9	0	111.1	M419 D420 E421 D425 L426 E427 L475 V478 M482	M419-K423 VanDerWaalsContact O-CB 3.31Å; M419-K423 WeakPolarHBondContact O-CB 3.32Å; M419-K423 PolarHBondContact O-N 3.49Å; D420-K423 PolarHBondContact O-N 3.35Å; E421-K423 VanDerWaalsContact C-N 3.33Å; K423-D425 PolarHBondContact O-N 3.02Å; K423-L426 PolarHBondContact O-N 3.32Å; K423-L426 VanDerWaalsContact O-N 3.12Å; K423-E427 WeakPolarHBondContact CE-OE1 3.4Å; K423-E427 HydrophobicContact CG-CG 4.44Å; K423-E427 IonicContact NZ-OE1 3.31Å; K423-E427 WeakPolarHBondContact O-CG 3.48Å; K423-E427 PolarHBondContact O-N 2.94Å; K423-L475 HydrophobicContact CB-CD1 4.43Å; K423-L475 HydrophobicContact CG-CD1 3.87Å; K423-V478 HydrophobicContact CB-CG1 3.92Å; K423-M482 HydrophobicContact CD-SD 4.03Å
424	Y	93	Very high	94	Very high	72 Å²	72	44.2 Å²	44.2	28%	0.282	21%	0.213	S	C	.	.	H	α-helix	trans	-56.9	-48.4	179.7	178.2	-103.1	0	0	0	112.3	I378 N379 T380 D420 L426 E427 L428	I378-Y424 WeakPolarHBondContact O-CE1 3.25Å; I378-Y424 PolarHBondContact O-OH 3.11Å; N379-Y424 WeakPolarHBondContact CA-OH 3.42Å; T380-Y424 HydrophobicContact CG2-CE2 4.25Å; T380-Y424 PolarHBondContact N-OH 2.99Å; T380-Y424 VanDerWaalsContact N-OH 3.11Å; D420-Y424 PolarHBondContact O-N 3.26Å; Y424-L426 VanDerWaalsContact C-N 3.27Å; Y424-L426 PolarHBondContact O-N 3.35Å; Y424-E427 PolarHBondContact O-N 2.89Å; Y424-L428 HydrophobicContact CD1-CD1 4Å; Y424-L428 HydrophobicContact CE1-CD1 3.55Å; Y424-L428 HydrophobicContact CE1-CG 4.47Å; Y424-L428 WeakPolarHBondContact O-CG 3.32Å; Y424-L428 PolarHBondContact O-N 3.16Å; Y424-L428 VanDerWaalsContact O-N 3.1Å
425	D	93.9	Very high	93.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-34.8	177.4	-81.2	-6.2	0	0	0	112.9	R409 A410 Y413 E421 K423 C429	R409-D425 WeakPolarHBondContact CB-OD2 3.29Å; R409-D425 VanDerWaalsContact CG-OD2 3.32Å; R409-D425 WeakPolarHBondContact CG-OD2 3.37Å; R409-D425 IonicContact CZ-OD1 3.23Å; R409-D425 IonicContact CZ-OD2 2.72Å; R409-D425 IonicContact NE-OD1 3.78Å; R409-D425 PolarHBondContact NE-OD1 3.03Å; R409-D425 IonicContact NE-OD2 3.31Å; R409-D425 PolarHBondContact NE-OD2 3.2Å; R409-D425 IonicContact NH2-OD1 3.77Å; R409-D425 PolarHBondContact NH2-OD1 3.43Å; R409-D425 IonicContact NH2-OD2 2.87Å; A410-D425 HydrophobicContact CB-CB 3.73Å; Y413-D425 WeakPolarHBondContact CE2-OD2 3.44Å; E421-D425 PolarHBondContact O-N 2.81Å; E421-D425 VanDerWaalsContact O-N 3.16Å; K423-D425 PolarHBondContact O-N 3.02Å; D425-C429 PolarHBondContact O-N 2.88Å; D425-C429 PolarHBondContact O-SG 3.1Å
426	L	96.2	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-36.5	-180	-70.5	163.5	0	0	0	112.4	F407 A410 A422 K423 Y424 L428 C429 I430 L474 L475 V478	F407-L426 HydrophobicContact CD2-CD2 4.13Å; F407-L426 HydrophobicContact CE2-CD2 4.36Å; A410-L426 HydrophobicContact CB-CD1 4.23Å; A410-L426 HydrophobicContact CB-CD2 3.82Å; A410-L426 HydrophobicContact CB-CG 3.65Å; A422-L426 VanDerWaalsContact O-CD1 3.25Å; A422-L426 WeakPolarHBondContact O-CD1 3.44Å; A422-L426 WeakPolarHBondContact O-CG 3.34Å; A422-L426 PolarHBondContact O-N 2.97Å; K423-L426 PolarHBondContact O-N 3.32Å; K423-L426 VanDerWaalsContact O-N 3.12Å; Y424-L426 VanDerWaalsContact C-N 3.27Å; Y424-L426 PolarHBondContact O-N 3.35Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L426-C429 WeakPolarHBondContact O-CB 3.46Å; L426-C429 PolarHBondContact O-N 3.49Å; L426-I430 WeakPolarHBondContact O-CB 3.45Å; L426-I430 WeakPolarHBondContact O-CD1 3.3Å; L426-I430 VanDerWaalsContact O-CG1 3.24Å; L426-I430 WeakPolarHBondContact O-CG1 3.39Å; L426-I430 PolarHBondContact O-N 3.35Å; L426-L474 HydrophobicContact CD1-CB 4.15Å; L426-L474 HydrophobicContact CD1-CD2 4.3Å; L426-L474 HydrophobicContact CD1-CG 3.83Å; L426-L474 HydrophobicContact CD2-CB 4.03Å; L426-L474 HydrophobicContact CD2-CD2 4.02Å; L426-L474 HydrophobicContact CD2-CG 4.16Å; L426-L475 HydrophobicContact CB-CB 4.16Å; L426-L475 HydrophobicContact CB-CD1 4.19Å; L426-L475 HydrophobicContact CD1-CB 4.16Å; L426-L475 HydrophobicContact CD1-CD1 4.46Å; L426-V478 HydrophobicContact CD1-CG2 3.77Å
427	E	94.4	Very high	92.8	Very high	89 Å²	89	40.6 Å²	40.6	42%	0.416	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-44.9	172.9	-72.9	174.6	166.7	0	0	110.2	K423 Y424 C429 I430 E431 L475	K423-E427 WeakPolarHBondContact CE-OE1 3.4Å; K423-E427 HydrophobicContact CG-CG 4.44Å; K423-E427 IonicContact NZ-OE1 3.31Å; K423-E427 WeakPolarHBondContact O-CG 3.48Å; K423-E427 PolarHBondContact O-N 2.94Å; Y424-E427 PolarHBondContact O-N 2.89Å; E427-C429 PolarHBondContact O-N 3.28Å; E427-I430 PolarHBondContact O-N 3.18Å; E427-E431 WeakPolarHBondContact O-CB 3.27Å; E427-E431 PolarHBondContact O-N 3.43Å; E427-L475 HydrophobicContact CG-CD2 4.41Å
428	L	92.9	Very high	92.4	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-45.6	172.1	-68.9	174.3	0	0	0	112.4	T380 F383 L406 Y424 L426 I430 E431 L432	T380-L428 HydrophobicContact CG2-CD2 3.81Å; F383-L428 HydrophobicContact CD2-CD1 4.06Å; F383-L428 HydrophobicContact CD2-CD2 3.86Å; F383-L428 HydrophobicContact CD2-CG 4.49Å; F383-L428 HydrophobicContact CE2-CD1 3.63Å; F383-L428 HydrophobicContact CE2-CD2 4.31Å; F383-L428 HydrophobicContact CZ-CD1 4.49Å; L406-L428 HydrophobicContact CD1-CB 4.08Å; L406-L428 HydrophobicContact CD2-CD1 4.31Å; Y424-L428 HydrophobicContact CD1-CD1 4Å; Y424-L428 HydrophobicContact CE1-CD1 3.55Å; Y424-L428 HydrophobicContact CE1-CG 4.47Å; Y424-L428 WeakPolarHBondContact O-CG 3.32Å; Y424-L428 PolarHBondContact O-N 3.16Å; Y424-L428 VanDerWaalsContact O-N 3.1Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L428-I430 VanDerWaalsContact C-N 3.28Å; L428-I430 PolarHBondContact O-N 2.79Å; L428-E431 PolarHBondContact O-N 3.48Å; L428-L432 WeakPolarHBondContact O-CB 3.39Å; L428-L432 VanDerWaalsContact O-CG 3.27Å; L428-L432 WeakPolarHBondContact O-CG 3.44Å; L428-L432 PolarHBondContact O-N 3.02Å
429	C	94.1	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-43.1	176.1	-72.3	0	0	0	0	112.3	L406 D425 L426 E427 M433 S471	L406-C429 WeakPolarHBondContact CB-SG 3.19Å; D425-C429 PolarHBondContact O-N 2.88Å; D425-C429 PolarHBondContact O-SG 3.1Å; L426-C429 WeakPolarHBondContact O-CB 3.46Å; L426-C429 PolarHBondContact O-N 3.49Å; E427-C429 PolarHBondContact O-N 3.28Å; C429-M433 VanDerWaalsContact O-CG 3.3Å; C429-M433 WeakPolarHBondContact O-CG 3.17Å; C429-M433 PolarHBondContact O-N 2.87Å; C429-M433 VanDerWaalsContact O-N 3.12Å; C429-S471 WeakPolarHBondContact CB-OG 3.36Å
430	I	94.8	Very high	91.3	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.087	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-44	-178.5	-72.1	164.9	0	0	0	110.3	L426 E427 L428 M433 K434 L468 E472 L475	L426-I430 WeakPolarHBondContact O-CB 3.45Å; L426-I430 WeakPolarHBondContact O-CD1 3.3Å; L426-I430 VanDerWaalsContact O-CG1 3.24Å; L426-I430 WeakPolarHBondContact O-CG1 3.39Å; L426-I430 PolarHBondContact O-N 3.35Å; E427-I430 PolarHBondContact O-N 3.18Å; L428-I430 VanDerWaalsContact C-N 3.28Å; L428-I430 PolarHBondContact O-N 2.79Å; I430-M433 PolarHBondContact O-N 3.32Å; I430-K434 HydrophobicContact CG2-CD 3.83Å; I430-K434 HydrophobicContact CG2-CG 4.41Å; I430-K434 WeakPolarHBondContact O-CB 3.3Å; I430-K434 VanDerWaalsContact O-CG 3.3Å; I430-K434 WeakPolarHBondContact O-CG 3.34Å; I430-K434 PolarHBondContact O-N 2.94Å; I430-L468 HydrophobicContact CB-CD1 4.22Å; I430-L468 HydrophobicContact CG1-CD1 4.15Å; I430-L468 HydrophobicContact CG2-CD1 3.89Å; I430-E472 HydrophobicContact CD1-CG 3.81Å; I430-E472 HydrophobicContact CG1-CG 4Å; I430-L475 HydrophobicContact CD1-CB 4.35Å; I430-L475 HydrophobicContact CD1-CD2 3.47Å; I430-L475 VanDerWaalsContact CD1-CD2 3.47Å
431	E	92.7	Very high	90.6	Very high	124 Å²	124	44 Å²	44	58%	0.579	22%	0.219	S	C	*	.	H	α-helix	trans	-59.6	-48.4	176.1	-173.4	179.3	175.7	0	0	111.3	E427 L428 M433 K434 S435	E427-E431 WeakPolarHBondContact O-CB 3.27Å; E427-E431 PolarHBondContact O-N 3.43Å; L428-E431 PolarHBondContact O-N 3.48Å; E431-M433 PolarHBondContact O-N 3.35Å; E431-K434 PolarHBondContact O-N 3.27Å; E431-S435 WeakPolarHBondContact O-CB 3.29Å; E431-S435 PolarHBondContact O-N 2.97Å
432	L	91.9	Very high	89.7	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-49.4	177.6	-76.4	171.3	0	0	0	112.3	F383 L388 Y399 I402 L406 L428 Q436	F383-L432 HydrophobicContact CB-CD2 4.16Å; F383-L432 HydrophobicContact CD1-CD1 4.36Å; L388-L432 HydrophobicContact CD1-CD2 3.43Å; L388-L432 VanDerWaalsContact CD1-CD2 3.43Å; L388-L432 HydrophobicContact CD2-CD2 4Å; L388-L432 HydrophobicContact CG-CD2 4.37Å; Y399-L432 HydrophobicContact CD1-CD2 4.4Å; I402-L432 HydrophobicContact CG2-CD1 3.78Å; L406-L432 HydrophobicContact CD1-CD1 3.55Å; L428-L432 WeakPolarHBondContact O-CB 3.39Å; L428-L432 VanDerWaalsContact O-CG 3.27Å; L428-L432 WeakPolarHBondContact O-CG 3.44Å; L428-L432 PolarHBondContact O-N 3.02Å; L432-Q436 WeakPolarHBondContact O-CB 3.37Å; L432-Q436 PolarHBondContact O-N 3.02Å
433	M	93.5	Very high	88.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.6	-34	-178.2	-63.9	-62.5	89.7	0	0	112.4	H403 C429 I430 E431 L437 I464 A467 L468	H403-M433 HydrophobicContact CB-CE 3.79Å; H403-M433 HydrophobicContact CB-SD 4.12Å; C429-M433 VanDerWaalsContact O-CG 3.3Å; C429-M433 WeakPolarHBondContact O-CG 3.17Å; C429-M433 PolarHBondContact O-N 2.87Å; C429-M433 VanDerWaalsContact O-N 3.12Å; I430-M433 PolarHBondContact O-N 3.32Å; E431-M433 PolarHBondContact O-N 3.35Å; M433-L437 VanDerWaalsContact O-CB 3.29Å; M433-L437 WeakPolarHBondContact O-CB 3.43Å; M433-L437 PolarHBondContact O-N 3.27Å; M433-I464 HydrophobicContact CB-CG2 4.21Å; M433-I464 HydrophobicContact SD-CG2 4.31Å; M433-A467 HydrophobicContact CG-CB 4.18Å; M433-A467 HydrophobicContact SD-CB 3.81Å; M433-L468 HydrophobicContact CB-CB 4.06Å; M433-L468 HydrophobicContact CB-CD1 4.28Å
434	K	91.6	Very high	86.7	Confident	99 Å²	99	50.9 Å²	50.9	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-44.9	173.8	-77.8	178.1	178	172.3	0	111.7	I430 E431 Q436 L437 L438 L468 E472	I430-K434 HydrophobicContact CG2-CD 3.83Å; I430-K434 HydrophobicContact CG2-CG 4.41Å; I430-K434 WeakPolarHBondContact O-CB 3.3Å; I430-K434 VanDerWaalsContact O-CG 3.3Å; I430-K434 WeakPolarHBondContact O-CG 3.34Å; I430-K434 PolarHBondContact O-N 2.94Å; E431-K434 PolarHBondContact O-N 3.27Å; K434-Q436 VanDerWaalsContact C-N 3.33Å; K434-Q436 PolarHBondContact O-N 3.39Å; K434-L437 PolarHBondContact O-N 3.43Å; K434-L438 VanDerWaalsContact O-CG 3.3Å; K434-L438 WeakPolarHBondContact O-CG 3.32Å; K434-L438 PolarHBondContact O-N 3.12Å; K434-L468 HydrophobicContact CG-CD1 4.08Å; K434-L468 HydrophobicContact CG-CD2 4.22Å; K434-E472 IonicContact NZ-OE1 2.68Å
435	S	88.4	Confident	85.1	Confident	46 Å²	46	54.3 Å²	54.3	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-46.5	175.2	179.2	0	0	0	0	111.1	E431 L437 L438 A439	E431-S435 WeakPolarHBondContact O-CB 3.29Å; E431-S435 PolarHBondContact O-N 2.97Å; S435-L437 PolarHBondContact O-N 3.46Å; S435-L438 PolarHBondContact O-N 3.47Å; S435-A439 PolarHBondContact O-N 2.86Å
436	Q	88.6	Confident	83.4	Confident	25 Å²	25	60.6 Å²	60.6	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-40.7	177.6	-166	-178.6	10.9	0	0	112.6	Y399 L432 K434 A439 L440 I464	Y399-Q436 VanDerWaalsContact CB-OE1 3.28Å; Y399-Q436 HydrophobicContact CD1-CB 4.14Å; Y399-Q436 HydrophobicContact CD1-CG 4.45Å; Y399-Q436 HydrophobicContact CG-CB 4.44Å; Y399-Q436 HydrophobicContact CG-CG 4.28Å; L432-Q436 WeakPolarHBondContact O-CB 3.37Å; L432-Q436 PolarHBondContact O-N 3.02Å; K434-Q436 VanDerWaalsContact C-N 3.33Å; K434-Q436 PolarHBondContact O-N 3.39Å; Q436-A439 PolarHBondContact O-N 3.47Å; Q436-L440 PolarHBondContact O-N 3.39Å; Q436-I464 HydrophobicContact CB-CD1 4.5Å; Q436-I464 VanDerWaalsContact CD-CD1 3.46Å; Q436-I464 HydrophobicContact CG-CD1 3.76Å; Q436-I464 HydrophobicContact CG-CG1 4.49Å
437	L	86.8	Confident	81.6	Confident	32 Å²	32	64.2 Å²	64.2	17%	0.168	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-41.7	177.9	-174.3	65.1	0	0	0	111.8	M433 K434 S435 A439 L440 Q441 I464 K465	M433-L437 VanDerWaalsContact O-CB 3.29Å; M433-L437 WeakPolarHBondContact O-CB 3.43Å; M433-L437 PolarHBondContact O-N 3.27Å; K434-L437 PolarHBondContact O-N 3.43Å; S435-L437 PolarHBondContact O-N 3.46Å; L437-A439 VanDerWaalsContact C-N 3.34Å; L437-L440 PolarHBondContact O-N 3.49Å; L437-Q441 WeakPolarHBondContact O-CG 3.45Å; L437-Q441 PolarHBondContact O-N 2.9Å; L437-I464 HydrophobicContact CB-CG2 4.1Å; L437-I464 HydrophobicContact CD1-CG2 4.46Å; L437-K465 HydrophobicContact CD1-CG 4.43Å
438	L	86.2	Confident	79.8	Confident	113 Å²	113	68.8 Å²	68.8	59%	0.592	36%	0.357	S	S	*	.	H	α-helix	trans	-63.1	-41.2	175	-71.5	170	0	0	0	111.5	K434 S435 L440 Q441 S442	K434-L438 VanDerWaalsContact O-CG 3.3Å; K434-L438 WeakPolarHBondContact O-CG 3.32Å; K434-L438 PolarHBondContact O-N 3.12Å; S435-L438 PolarHBondContact O-N 3.47Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 PolarHBondContact O-N 2.95Å; L438-Q441 PolarHBondContact O-N 2.94Å; L438-S442 PolarHBondContact O-N 3.48Å
439	A	83.8	Confident	78	Confident	44 Å²	44	75.1 Å²	75.1	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-62.7	-38.2	176.6	0	0	0	0	0	112.3	S435 Q436 L437 S442	S435-A439 PolarHBondContact O-N 2.86Å; Q436-A439 PolarHBondContact O-N 3.47Å; L437-A439 VanDerWaalsContact C-N 3.34Å; A439-S442 PolarHBondContact O-OG 3.01Å
440	L	80.5	Confident	76.2	Confident	32 Å²	32	82.9 Å²	82.9	17%	0.168	42%	0.42	C	S	.	.	H	α-helix	trans	-67.7	-45.6	174.8	-72.8	172.6	0	0	0	112.3	Q436 L437 L438 S442 K443 D444 I464	Q436-L440 PolarHBondContact O-N 3.39Å; L437-L440 PolarHBondContact O-N 3.49Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 PolarHBondContact O-N 2.95Å; L440-S442 VanDerWaalsContact C-N 3.26Å; L440-S442 PolarHBondContact O-N 2.92Å; L440-K443 WeakPolarHBondContact O-CB 3.31Å; L440-K443 PolarHBondContact O-N 3.35Å; L440-D444 PolarHBondContact O-N 2.91Å; L440-I464 HydrophobicContact CD1-CD1 3.23Å; L440-I464 HydrophobicContact CG-CD1 4.48Å
441	Q	76.7	Confident	74.4	Confident	97 Å²	97	90.4 Å²	90.4	45%	0.453	46%	0.455	S	S	.	.	H	α-helix	trans	-59.4	-37.9	178.2	-72.5	176.4	-27.8	0	0	112.3	L437 L438 K443 D444 D445	L437-Q441 WeakPolarHBondContact O-CG 3.45Å; L437-Q441 PolarHBondContact O-N 2.9Å; L438-Q441 PolarHBondContact O-N 2.94Å; Q441-K443 PolarHBondContact O-N 2.94Å; Q441-D444 PolarHBondContact O-N 3.45Å; Q441-D445 PolarHBondContact O-N 3.29Å
442	S	73.8	Confident	72.5	Confident	66 Å²	66	91.8 Å²	91.8	46%	0.462	46%	0.461	S	S	.	.	H	α-helix	trans	-67.9	-19.5	177.2	70.4	0	0	0	0	114.5	L438 A439 L440 N446	L438-S442 PolarHBondContact O-N 3.48Å; A439-S442 PolarHBondContact O-OG 3.01Å; L440-S442 VanDerWaalsContact C-N 3.26Å; L440-S442 PolarHBondContact O-N 2.92Å; S442-N446 PolarHBondContact O-ND2 3.44Å
443	K	66.6	Low	70.6	Confident	129 Å²	129	95.7 Å²	95.7	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-85.2	-40.7	175.7	-70	-178.7	178	-171.8	0	111.5	L440 Q441 D445 N446 D447	L440-K443 WeakPolarHBondContact O-CB 3.31Å; L440-K443 PolarHBondContact O-N 3.35Å; Q441-K443 PolarHBondContact O-N 2.94Å; K443-D445 PolarHBondContact O-N 3.04Å; K443-N446 PolarHBondContact O-N 3.41Å; K443-D447 PolarHBondContact O-N 3.05Å
444	D	60.3	Low	68.9	Low	72 Å²	72	99.6 Å²	99.6	39%	0.385	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-27.9	178.7	-66.5	-16.9	0	0	0	112.8	L440 Q441 N446	L440-D444 PolarHBondContact O-N 2.91Å; Q441-D444 PolarHBondContact O-N 3.45Å; D444-N446 VanDerWaalsContact C-N 3.33Å
445	D	59.3	Low	67.2	Low	144 Å²	144	103.3 Å²	103.3	77%	0.77	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.7	176.6	-75.9	-20.8	0	0	0	113.6	Q441 K443	Q441-D445 PolarHBondContact O-N 3.29Å; K443-D445 PolarHBondContact O-N 3.04Å
446	N	59.1	Low	65.7	Low	133 Å²	133	108.6 Å²	108.6	71%	0.711	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-26.7	-174.5	-74.7	-42	0	0	0	114.3	S442 K443 D444	S442-N446 PolarHBondContact O-ND2 3.44Å; K443-N446 PolarHBondContact O-N 3.41Å; D444-N446 VanDerWaalsContact C-N 3.33Å
447	D	57.5	Low	64.5	Low	77 Å²	77	108.7 Å²	108.7	41%	0.412	54%	0.536	S	S	.	.			trans	-101.9	118.9	-170.4	-66.9	-30.2	0	0	0	112.5	K443 D449 M453	K443-D447 PolarHBondContact O-N 3.05Å; D447-D449 VanDerWaalsContact C-N 3.28Å; D447-M453 HydrophobicContact CB-CE 4.11Å
448	Q	56.3	Low	63.8	Low	184 Å²	184	111.2 Å²	111.2	86%	0.86	55%	0.549	S	S	*	.			trans	-81.3	-0.5	174.4	-75.5	-174.8	-19.9	0	0	113.6	R450	Q448-R450 PolarHBondContact O-N 3.33Å
449	D	55.9	Low	63.6	Low	137 Å²	137	109.8 Å²	109.8	73%	0.733	54%	0.542	S	S	*	.			trans	-93.8	75.4	-178.7	-67.9	-27.3	0	0	0	111.1	D447	D447-D449 VanDerWaalsContact C-N 3.28Å
450	R	55.6	Low	63.5	Low	164 Å²	164	110 Å²	110	62%	0.619	54%	0.537	S	S	*	.			trans	-79.5	-43.5	-163.5	-71.2	-179.3	175.6	-179.3	-3.9	115.6	Q448 E452 D454	Q448-R450 PolarHBondContact O-N 3.33Å; R450-E452 PolarHBondContact O-N 3.34Å; R450-D454 WeakPolarHBondContact O-CB 3.41Å; R450-D454 PolarHBondContact O-N 3.26Å; R450-D454 VanDerWaalsContact O-OD2 3.09Å
451	E	56.7	Low	63.7	Low	175 Å²	175	109 Å²	109	82%	0.818	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-37.4	-153.1	-62.9	-171.3	167.2	0	0	117.1
452	E	53.1	Low	64.3	Low	152 Å²	152	110 Å²	110	71%	0.71	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-37.6	-178.4	-160.9	159.7	-142.7	0	0	112.1	R450 D454 R455	R450-E452 PolarHBondContact O-N 3.34Å; E452-D454 PolarHBondContact O-N 3.04Å; E452-R455 PolarHBondContact O-N 3.19Å
453	M	52.5	Low	65	Low	88 Å²	88	110.7 Å²	110.7	43%	0.433	53%	0.534	S	S	.	.	H	α-helix	trans	-64	-31.3	173.7	-130.8	176.9	62.2	0	0	111.7	D447 R455 S457	D447-M453 HydrophobicContact CB-CE 4.11Å; M453-R455 VanDerWaalsContact C-N 3.26Å; M453-R455 PolarHBondContact O-N 3.36Å; M453-S457 WeakPolarHBondContact O-CB 3.47Å; M453-S457 PolarHBondContact O-N 3.04Å
454	D	56.6	Low	66.2	Low	83 Å²	83	104.6 Å²	104.6	44%	0.444	51%	0.507	S	S	.	.	H	α-helix	trans	-58.1	-33.6	176.8	-81.7	-15.3	0	0	0	112.4	R450 E452 N458	R450-D454 WeakPolarHBondContact O-CB 3.41Å; R450-D454 PolarHBondContact O-N 3.26Å; R450-D454 VanDerWaalsContact O-OD2 3.09Å; E452-D454 PolarHBondContact O-N 3.04Å; D454-N458 WeakPolarHBondContact O-CB 3.45Å; D454-N458 PolarHBondContact O-N 2.92Å
455	R	57	Low	67.7	Low	176 Å²	176	107 Å²	107	66%	0.664	52%	0.515	S	S	*	.	H	α-helix	trans	-75.8	-48.8	-177.1	-76.7	-170.8	-76.5	173.7	-1.5	112.5	E452 M453 N458 D459	E452-R455 PolarHBondContact O-N 3.19Å; M453-R455 VanDerWaalsContact C-N 3.26Å; M453-R455 PolarHBondContact O-N 3.36Å; R455-N458 PolarHBondContact O-N 3.22Å; R455-D459 PolarHBondContact O-N 3.46Å
456	E	56.7	Low	69.3	Low	158 Å²	158	102.9 Å²	102.9	74%	0.738	50%	0.5	S	S	*	.	H	α-helix	trans	-69.6	-42.4	178.1	-66.7	-171.3	168.6	0	0	111.6	N458 D459 N460	E456-N458 VanDerWaalsContact C-N 3.29Å; E456-N458 PolarHBondContact O-N 3.3Å; E456-D459 PolarHBondContact O-N 3.47Å; E456-N460 WeakPolarHBondContact O-CB 3.24Å; E456-N460 PolarHBondContact O-N 3.35Å
457	S	64.1	Low	70.9	Confident	27 Å²	27	97.4 Å²	97.4	19%	0.189	47%	0.473	C	S	.	.	H	α-helix	trans	-59.8	-41.5	173.4	-173.6	0	0	0	0	110.9	M453 G461	M453-S457 WeakPolarHBondContact O-CB 3.47Å; M453-S457 PolarHBondContact O-N 3.04Å; S457-G461 WeakPolarHBondContact O-CA 3.46Å; S457-G461 PolarHBondContact O-N 3.35Å
458	N	72	Confident	72.7	Confident	85 Å²	85	94.7 Å²	94.7	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-68	-39.6	177.4	-174.6	21.9	0	0	0	112.8	D454 R455 E456 K462	D454-N458 WeakPolarHBondContact O-CB 3.45Å; D454-N458 PolarHBondContact O-N 2.92Å; R455-N458 PolarHBondContact O-N 3.22Å; E456-N458 VanDerWaalsContact C-N 3.29Å; E456-N458 PolarHBondContact O-N 3.3Å; N458-K462 PolarHBondContact ND2-NZ 3.12Å; N458-K462 WeakPolarHBondContact O-CB 3.25Å; N458-K462 WeakPolarHBondContact O-CD 3.49Å; N458-K462 WeakPolarHBondContact O-CG 3.18Å; N458-K462 PolarHBondContact O-N 3Å; N458-K462 WeakPolarHBondContact OD1-CE 3.49Å
459	D	80.4	Confident	74.5	Confident	83 Å²	83	91.5 Å²	91.5	44%	0.444	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-45.3	176.5	-164.1	53	0	0	0	111.6	R455 E456 G461 K462 Q463	R455-D459 PolarHBondContact O-N 3.46Å; E456-D459 PolarHBondContact O-N 3.47Å; D459-G461 VanDerWaalsContact C-N 3.34Å; D459-G461 PolarHBondContact O-N 2.88Å; D459-K462 WeakPolarHBondContact O-CB 3.46Å; D459-K462 PolarHBondContact O-N 3.06Å; D459-Q463 VanDerWaalsContact O-CG 3.32Å; D459-Q463 WeakPolarHBondContact O-CG 3.39Å; D459-Q463 PolarHBondContact O-N 3.39Å; D459-Q463 PolarHBondContact OD2-NE2 2.87Å
460	N	82.6	Confident	76.4	Confident	48 Å²	48	86.8 Å²	86.8	26%	0.257	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.1	-172.6	33.9	0	0	0	111.5	Q400 E456 K462 Q463 I464	Q400-N460 PolarHBondContact NE2-OD1 3.01Å; E456-N460 WeakPolarHBondContact O-CB 3.24Å; E456-N460 PolarHBondContact O-N 3.35Å; N460-K462 VanDerWaalsContact C-N 3.34Å; N460-K462 PolarHBondContact O-N 3.04Å; N460-Q463 PolarHBondContact O-N 3.09Å; N460-I464 WeakPolarHBondContact O-CD1 3.3Å; N460-I464 VanDerWaalsContact O-CG1 3.29Å; N460-I464 WeakPolarHBondContact O-CG1 3.36Å; N460-I464 PolarHBondContact O-N 3.16Å
461	G	85.6	Confident	78.4	Confident	12 Å²	12	79 Å²	79	12%	0.124	39%	0.394	C	S	.	.	H	α-helix	trans	-61.5	-38.3	175.4	0	0	0	0	0	113.1	S457 D459 K465	S457-G461 WeakPolarHBondContact O-CA 3.46Å; S457-G461 PolarHBondContact O-N 3.35Å; D459-G461 VanDerWaalsContact C-N 3.34Å; D459-G461 PolarHBondContact O-N 2.88Å; G461-K465 WeakPolarHBondContact O-CB 3.33Å; G461-K465 VanDerWaalsContact O-CG 3.28Å; G461-K465 WeakPolarHBondContact O-CG 3.35Å; G461-K465 PolarHBondContact O-N 3.44Å
462	K	88.6	Confident	80.4	Confident	116 Å²	116	74 Å²	74	50%	0.504	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-44.5	172.4	-78	165.5	179.4	162.1	0	111.7	N458 D459 N460 K465 A466	N458-K462 PolarHBondContact ND2-NZ 3.12Å; N458-K462 WeakPolarHBondContact O-CB 3.25Å; N458-K462 WeakPolarHBondContact O-CD 3.49Å; N458-K462 WeakPolarHBondContact O-CG 3.18Å; N458-K462 PolarHBondContact O-N 3Å; N458-K462 WeakPolarHBondContact OD1-CE 3.49Å; D459-K462 WeakPolarHBondContact O-CB 3.46Å; D459-K462 PolarHBondContact O-N 3.06Å; N460-K462 VanDerWaalsContact C-N 3.34Å; N460-K462 PolarHBondContact O-N 3.04Å; K462-K465 PolarHBondContact O-N 3.1Å; K462-A466 WeakPolarHBondContact O-CB 3.43Å; K462-A466 PolarHBondContact O-N 3.3Å
463	Q	89.2	Confident	82.5	Confident	82 Å²	82	70.6 Å²	70.6	38%	0.383	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-43.2	178.6	-68.9	178.3	32.5	0	0	111.6	Q400 D459 N460 A466 A467	Q400-Q463 VanDerWaalsContact NE2-OE1 3.12Å; D459-Q463 VanDerWaalsContact O-CG 3.32Å; D459-Q463 WeakPolarHBondContact O-CG 3.39Å; D459-Q463 PolarHBondContact O-N 3.39Å; D459-Q463 PolarHBondContact OD2-NE2 2.87Å; N460-Q463 PolarHBondContact O-N 3.09Å; Q463-A466 PolarHBondContact O-N 3.29Å; Q463-A467 WeakPolarHBondContact O-CB 3.37Å; Q463-A467 PolarHBondContact O-N 2.94Å
464	I	90.9	Very high	84.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-45.3	177.4	-66.7	161	0	0	0	111.1	M433 Q436 L437 L440 N460 A466 A467 L468	M433-I464 HydrophobicContact CB-CG2 4.21Å; M433-I464 HydrophobicContact SD-CG2 4.31Å; Q436-I464 HydrophobicContact CB-CD1 4.5Å; Q436-I464 VanDerWaalsContact CD-CD1 3.46Å; Q436-I464 HydrophobicContact CG-CD1 3.76Å; Q436-I464 HydrophobicContact CG-CG1 4.49Å; L437-I464 HydrophobicContact CB-CG2 4.1Å; L437-I464 HydrophobicContact CD1-CG2 4.46Å; L440-I464 HydrophobicContact CD1-CD1 3.23Å; L440-I464 HydrophobicContact CG-CD1 4.48Å; N460-I464 WeakPolarHBondContact O-CD1 3.3Å; N460-I464 VanDerWaalsContact O-CG1 3.29Å; N460-I464 WeakPolarHBondContact O-CG1 3.36Å; N460-I464 PolarHBondContact O-N 3.16Å; I464-A466 VanDerWaalsContact C-N 3.33Å; I464-A466 PolarHBondContact O-N 2.94Å; I464-A467 PolarHBondContact O-N 3.24Å; I464-L468 WeakPolarHBondContact O-CB 3.28Å; I464-L468 PolarHBondContact O-N 2.94Å
465	K	91.7	Very high	86.6	Confident	124 Å²	124	64.4 Å²	64.4	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-41.6	176.2	-74.6	173.1	-177.7	173.9	0	111.8	L437 G461 K462 L468 Q469	L437-K465 HydrophobicContact CD1-CG 4.43Å; G461-K465 WeakPolarHBondContact O-CB 3.33Å; G461-K465 VanDerWaalsContact O-CG 3.28Å; G461-K465 WeakPolarHBondContact O-CG 3.35Å; G461-K465 PolarHBondContact O-N 3.44Å; K462-K465 PolarHBondContact O-N 3.1Å; K465-L468 PolarHBondContact O-N 2.92Å; K465-Q469 WeakPolarHBondContact O-CB 3.1Å; K465-Q469 PolarHBondContact O-N 3.24Å
466	A	92.6	Very high	88.5	Confident	56 Å²	56	60.5 Å²	60.5	46%	0.463	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-41.7	176.4	0	0	0	0	0	112.2	K462 Q463 I464 Q469 A470	K462-A466 WeakPolarHBondContact O-CB 3.43Å; K462-A466 PolarHBondContact O-N 3.3Å; Q463-A466 PolarHBondContact O-N 3.29Å; I464-A466 VanDerWaalsContact C-N 3.33Å; I464-A466 PolarHBondContact O-N 2.94Å; A466-Q469 PolarHBondContact O-N 3.12Å; A466-A470 WeakPolarHBondContact O-CB 3.43Å; A466-A470 PolarHBondContact O-N 3.19Å
467	A	93.3	Very high	90.4	Very high	18 Å²	18	59 Å²	59	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-44.3	176	0	0	0	0	0	112	H403 M433 Q463 I464 A470 S471	H403-A467 PolarHBondContact NE2-O 3.31Å; M433-A467 HydrophobicContact CG-CB 4.18Å; M433-A467 HydrophobicContact SD-CB 3.81Å; Q463-A467 WeakPolarHBondContact O-CB 3.37Å; Q463-A467 PolarHBondContact O-N 2.94Å; I464-A467 PolarHBondContact O-N 3.24Å; A467-A470 PolarHBondContact O-N 3.1Å; A467-S471 PolarHBondContact O-N 3.09Å; A467-S471 VanDerWaalsContact O-N 3.09Å; A467-S471 PolarHBondContact O-OG 2.95Å; A467-S471 VanDerWaalsContact O-OG 3.1Å
468	L	94.3	Very high	92	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-51.2	175	178.2	60.9	0	0	0	111.2	I430 M433 K434 I464 K465 A470 S471 E472	I430-L468 HydrophobicContact CB-CD1 4.22Å; I430-L468 HydrophobicContact CG1-CD1 4.15Å; I430-L468 HydrophobicContact CG2-CD1 3.89Å; M433-L468 HydrophobicContact CB-CB 4.06Å; M433-L468 HydrophobicContact CB-CD1 4.28Å; K434-L468 HydrophobicContact CG-CD1 4.08Å; K434-L468 HydrophobicContact CG-CD2 4.22Å; I464-L468 WeakPolarHBondContact O-CB 3.28Å; I464-L468 PolarHBondContact O-N 2.94Å; K465-L468 PolarHBondContact O-N 2.92Å; L468-A470 VanDerWaalsContact C-N 3.3Å; L468-A470 PolarHBondContact O-N 3.44Å; L468-S471 PolarHBondContact O-N 3.11Å; L468-S471 VanDerWaalsContact O-N 3.16Å; L468-E472 HydrophobicContact CD1-CG 4.22Å; L468-E472 WeakPolarHBondContact O-CG 3.44Å; L468-E472 PolarHBondContact O-N 3.09Å
469	Q	96.1	Very high	93.2	Very high	118 Å²	118	55.8 Å²	55.8	55%	0.551	29%	0.289	S	S	*	.	H	α-helix	trans	-60.6	-39	179.1	-172.6	-178.9	8	0	0	111.9	K465 A466 N473	K465-Q469 WeakPolarHBondContact O-CB 3.1Å; K465-Q469 PolarHBondContact O-N 3.24Å; A466-Q469 PolarHBondContact O-N 3.12Å; Q469-N473 VanDerWaalsContact O-CB 3.28Å; Q469-N473 WeakPolarHBondContact O-CB 2.87Å; Q469-N473 PolarHBondContact O-N 2.9Å; Q469-N473 PolarHBondContact O-ND2 3.06Å; Q469-N473 VanDerWaalsContact O-ND2 3.13Å
470	A	95.7	Very high	94	Very high	37 Å²	37	55.6 Å²	55.6	31%	0.306	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-44.6	176	0	0	0	0	0	111.8	F407 A466 A467 L468 L474	F407-A470 HydrophobicContact CE2-CB 4.07Å; F407-A470 HydrophobicContact CZ-CB 4.12Å; A466-A470 WeakPolarHBondContact O-CB 3.43Å; A466-A470 PolarHBondContact O-N 3.19Å; A467-A470 PolarHBondContact O-N 3.1Å; L468-A470 VanDerWaalsContact C-N 3.3Å; L468-A470 PolarHBondContact O-N 3.44Å; A470-L474 PolarHBondContact O-N 3.16Å; A470-L474 VanDerWaalsContact O-N 3.11Å
471	S	97.2	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-46.6	176.8	-58.1	0	0	0	0	112.2	H403 C429 A467 L468 N473 L474 L475	H403-S471 PolarHBondContact NE2-OG 3.27Å; C429-S471 WeakPolarHBondContact CB-OG 3.36Å; A467-S471 PolarHBondContact O-N 3.09Å; A467-S471 VanDerWaalsContact O-N 3.09Å; A467-S471 PolarHBondContact O-OG 2.95Å; A467-S471 VanDerWaalsContact O-OG 3.1Å; L468-S471 PolarHBondContact O-N 3.11Å; L468-S471 VanDerWaalsContact O-N 3.16Å; S471-N473 VanDerWaalsContact C-N 3.35Å; S471-N473 PolarHBondContact O-N 2.93Å; S471-L474 PolarHBondContact O-N 3.35Å; S471-L475 WeakPolarHBondContact O-CB 3.31Å; S471-L475 PolarHBondContact O-N 3.3Å
472	E	97.4	Very high	95.1	Very high	72 Å²	72	58.1 Å²	58.1	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-43.4	178.2	-71.5	178.1	157.9	0	0	111.5	I430 K434 L468 L474 L475 I476	I430-E472 HydrophobicContact CD1-CG 3.81Å; I430-E472 HydrophobicContact CG1-CG 4Å; K434-E472 IonicContact NZ-OE1 2.68Å; L468-E472 HydrophobicContact CD1-CG 4.22Å; L468-E472 WeakPolarHBondContact O-CG 3.44Å; L468-E472 PolarHBondContact O-N 3.09Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 3.19Å; E472-L475 PolarHBondContact O-N 3.45Å; E472-I476 WeakPolarHBondContact O-CG1 3.45Å; E472-I476 PolarHBondContact O-N 3.23Å
473	N	97.9	Very high	95.4	Very high	80 Å²	80	59 Å²	59	43%	0.428	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-39.8	176.9	-75.3	-25.1	0	0	0	112.8	Q469 S471 K477	Q469-N473 VanDerWaalsContact O-CB 3.28Å; Q469-N473 WeakPolarHBondContact O-CB 2.87Å; Q469-N473 PolarHBondContact O-N 2.9Å; Q469-N473 PolarHBondContact O-ND2 3.06Å; Q469-N473 VanDerWaalsContact O-ND2 3.13Å; S471-N473 VanDerWaalsContact C-N 3.35Å; S471-N473 PolarHBondContact O-N 2.93Å; N473-K477 WeakPolarHBondContact O-CG 3.49Å; N473-K477 PolarHBondContact O-N 2.88Å
474	L	97.1	Very high	95.7	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-72.1	-36	176.8	-173.3	54.6	0	0	0	111.1	F407 Q411 F414 L426 A470 S471 E472 I476 K477 V478	F407-L474 HydrophobicContact CE2-CB 4.28Å; F407-L474 HydrophobicContact CE2-CD2 3.98Å; F407-L474 HydrophobicContact CZ-CD2 4.13Å; Q411-L474 HydrophobicContact CB-CD2 4.07Å; Q411-L474 HydrophobicContact CG-CD2 4.42Å; F414-L474 HydrophobicContact CD1-CD1 4.24Å; F414-L474 HydrophobicContact CG-CD1 4.2Å; L426-L474 HydrophobicContact CD1-CB 4.15Å; L426-L474 HydrophobicContact CD1-CD2 4.3Å; L426-L474 HydrophobicContact CD1-CG 3.83Å; L426-L474 HydrophobicContact CD2-CB 4.03Å; L426-L474 HydrophobicContact CD2-CD2 4.02Å; L426-L474 HydrophobicContact CD2-CG 4.16Å; A470-L474 PolarHBondContact O-N 3.16Å; A470-L474 VanDerWaalsContact O-N 3.11Å; S471-L474 PolarHBondContact O-N 3.35Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 3.19Å; L474-I476 PolarHBondContact O-N 2.92Å; L474-K477 HydrophobicContact CD1-CD 4.46Å; L474-K477 WeakPolarHBondContact O-CB 3.39Å; L474-K477 PolarHBondContact O-N 3.48Å; L474-K477 VanDerWaalsContact O-N 3.17Å; L474-V478 WeakPolarHBondContact O-CG2 3.28Å; L474-V478 PolarHBondContact O-N 3.42Å
475	L	97.4	Very high	95.8	Very high	24 Å²	24	66.4 Å²	66.4	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-39.6	177	179.9	59.7	0	0	0	111.9	K423 L426 E427 I430 S471 E472 K477 V478 N479	K423-L475 HydrophobicContact CB-CD1 4.43Å; K423-L475 HydrophobicContact CG-CD1 3.87Å; L426-L475 HydrophobicContact CB-CB 4.16Å; L426-L475 HydrophobicContact CB-CD1 4.19Å; L426-L475 HydrophobicContact CD1-CB 4.16Å; L426-L475 HydrophobicContact CD1-CD1 4.46Å; E427-L475 HydrophobicContact CG-CD2 4.41Å; I430-L475 HydrophobicContact CD1-CB 4.35Å; I430-L475 HydrophobicContact CD1-CD2 3.47Å; I430-L475 VanDerWaalsContact CD1-CD2 3.47Å; S471-L475 WeakPolarHBondContact O-CB 3.31Å; S471-L475 PolarHBondContact O-N 3.3Å; E472-L475 PolarHBondContact O-N 3.45Å; L475-K477 VanDerWaalsContact C-N 3.32Å; L475-K477 PolarHBondContact O-N 2.95Å; L475-V478 PolarHBondContact O-N 3.43Å; L475-N479 WeakPolarHBondContact O-CB 3.46Å; L475-N479 PolarHBondContact O-N 3.17Å; L475-N479 PolarHBondContact O-ND2 3.41Å
476	I	97.8	Very high	95.9	Very high	93 Å²	93	66.3 Å²	66.3	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-57.3	-47.4	172.6	-68.6	164.8	0	0	0	110.2	E472 L474 V478 N479 D480	E472-I476 WeakPolarHBondContact O-CG1 3.45Å; E472-I476 PolarHBondContact O-N 3.23Å; L474-I476 PolarHBondContact O-N 2.92Å; I476-V478 PolarHBondContact O-N 2.97Å; I476-N479 PolarHBondContact O-N 3.27Å; I476-D480 WeakPolarHBondContact O-CB 3.34Å; I476-D480 VanDerWaalsContact O-CG 3.3Å; I476-D480 PolarHBondContact O-N 2.96Å
477	K	97.3	Very high	96	Very high	126 Å²	126	66.5 Å²	66.5	55%	0.548	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-39.6	178.7	-67.7	175.6	-178.3	179.1	0	113	F414 N473 L474 L475 R481	F414-K477 HydrophobicContact CE2-CB 4.18Å; F414-K477 HydrophobicContact CZ-CB 4.27Å; N473-K477 WeakPolarHBondContact O-CG 3.49Å; N473-K477 PolarHBondContact O-N 2.88Å; L474-K477 HydrophobicContact CD1-CD 4.46Å; L474-K477 WeakPolarHBondContact O-CB 3.39Å; L474-K477 PolarHBondContact O-N 3.48Å; L474-K477 VanDerWaalsContact O-N 3.17Å; L475-K477 VanDerWaalsContact C-N 3.32Å; L475-K477 PolarHBondContact O-N 2.95Å; K477-R481 WeakPolarHBondContact O-CB 3.44Å; K477-R481 PolarHBondContact O-N 2.97Å
478	V	97.3	Very high	96	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-52.6	174.8	171.1	0	0	0	0	109.7	F414 M419 A422 K423 L426 L474 L475 I476 D480 R481 M482	F414-V478 HydrophobicContact CB-CG2 4.4Å; F414-V478 HydrophobicContact CD2-CG2 3.65Å; F414-V478 HydrophobicContact CE2-CG2 4.39Å; F414-V478 HydrophobicContact CG-CG2 4.39Å; M419-V478 HydrophobicContact CB-CG1 4.31Å; M419-V478 WeakPolarHBondContact O-CG1 3.34Å; M419-V478 HydrophobicContact SD-CG1 4.12Å; A422-V478 HydrophobicContact CB-CG1 4.41Å; A422-V478 HydrophobicContact CB-CG2 3.94Å; K423-V478 HydrophobicContact CB-CG1 3.92Å; L426-V478 HydrophobicContact CD1-CG2 3.77Å; L474-V478 WeakPolarHBondContact O-CG2 3.28Å; L474-V478 PolarHBondContact O-N 3.42Å; L475-V478 PolarHBondContact O-N 3.43Å; I476-V478 PolarHBondContact O-N 2.97Å; V478-D480 VanDerWaalsContact C-N 3.34Å; V478-D480 PolarHBondContact O-N 3.13Å; V478-R481 PolarHBondContact O-N 2.85Å; V478-R481 VanDerWaalsContact O-N 3.1Å; V478-M482 HydrophobicContact CG1-CG 4.4Å; V478-M482 HydrophobicContact CG1-SD 4.06Å; V478-M482 WeakPolarHBondContact O-CG 3.32Å; V478-M482 PolarHBondContact O-N 3.49Å
479	N	97.3	Very high	96	Very high	46 Å²	46	74.4 Å²	74.4	25%	0.246	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-40.4	-180	-75.2	-38.9	0	0	0	112.8	L475 I476 R481 M482 K483	L475-N479 WeakPolarHBondContact O-CB 3.46Å; L475-N479 PolarHBondContact O-N 3.17Å; L475-N479 PolarHBondContact O-ND2 3.41Å; I476-N479 PolarHBondContact O-N 3.27Å; N479-R481 VanDerWaalsContact C-N 3.32Å; N479-R481 PolarHBondContact O-N 3.38Å; N479-M482 PolarHBondContact O-N 3.35Å; N479-K483 VanDerWaalsContact O-CG 3.32Å; N479-K483 WeakPolarHBondContact O-CG 3.35Å; N479-K483 PolarHBondContact O-N 3.28Å
480	D	96.7	Very high	95.9	Very high	79 Å²	79	72.6 Å²	72.6	42%	0.422	36%	0.357	S	S	.	.	H	α-helix	trans	-66.6	-35.1	177	-72.4	-17.8	0	0	0	112.2	I476 V478 R484	I476-D480 WeakPolarHBondContact O-CB 3.34Å; I476-D480 VanDerWaalsContact O-CG 3.3Å; I476-D480 PolarHBondContact O-N 2.96Å; V478-D480 VanDerWaalsContact C-N 3.34Å; V478-D480 PolarHBondContact O-N 3.13Å; D480-R484 WeakPolarHBondContact O-CG 3.46Å; D480-R484 PolarHBondContact O-N 3.16Å; D480-R484 PolarHBondContact O-NE 2.9Å
481	R	95.2	Very high	95.7	Very high	67 Å²	67	73.4 Å²	73.4	25%	0.253	36%	0.361	S	S	.	.	H	α-helix	trans	-69.4	-44.8	173.3	-178	160.5	172.4	-169.9	1.7	111.7	F414 M419 K477 V478 N479 K483 R484 E485	F414-R481 PolarHBondContact O-NH1 3.44Å; F414-R481 VanDerWaalsContact O-NH1 3.09Å; M419-R481 HydrophobicContact CE-CG 4.01Å; M419-R481 VanDerWaalsContact CE-NE 3.32Å; M419-R481 VanDerWaalsContact CE-NH1 3.34Å; M419-R481 HydrophobicContact CG-CG 4.33Å; M419-R481 HydrophobicContact SD-CB 3.83Å; M419-R481 HydrophobicContact SD-CG 3.72Å; K477-R481 WeakPolarHBondContact O-CB 3.44Å; K477-R481 PolarHBondContact O-N 2.97Å; V478-R481 PolarHBondContact O-N 2.85Å; V478-R481 VanDerWaalsContact O-N 3.1Å; N479-R481 VanDerWaalsContact C-N 3.32Å; N479-R481 PolarHBondContact O-N 3.38Å; R481-K483 VanDerWaalsContact C-N 3.35Å; R481-K483 PolarHBondContact O-N 3.41Å; R481-R484 PolarHBondContact O-N 2.95Å; R481-R484 VanDerWaalsContact O-N 3.16Å; R481-E485 HydrophobicContact CG-CG 4.46Å; R481-E485 WeakPolarHBondContact CG-OE1 3.48Å; R481-E485 IonicContact CZ-OE1 2.89Å; R481-E485 IonicContact NE-OE1 3.17Å; R481-E485 PolarHBondContact NE-OE1 2.88Å; R481-E485 IonicContact NH2-OE1 2.81Å; R481-E485 WeakPolarHBondContact O-CG 3.38Å; R481-E485 PolarHBondContact O-N 3.38Å
482	M	96	Very high	95.5	Very high	46 Å²	46	80.5 Å²	80.5	23%	0.227	39%	0.388	C	S	.	.	H	α-helix	trans	-56.6	-46.5	174.7	-69.2	179.2	78.1	0	0	112.1	M419 D420 K423 V478 N479 R484 E485 Q486	M419-M482 HydrophobicContact CB-CG 3.42Å; M419-M482 VanDerWaalsContact CB-CG 3.42Å; M419-M482 HydrophobicContact CB-SD 4.04Å; M419-M482 HydrophobicContact CG-CG 3.86Å; D420-M482 WeakPolarHBondContact OD1-CE 3.29Å; K423-M482 HydrophobicContact CD-SD 4.03Å; V478-M482 HydrophobicContact CG1-CG 4.4Å; V478-M482 HydrophobicContact CG1-SD 4.06Å; V478-M482 WeakPolarHBondContact O-CG 3.32Å; V478-M482 PolarHBondContact O-N 3.49Å; N479-M482 PolarHBondContact O-N 3.35Å; M482-R484 VanDerWaalsContact C-N 3.31Å; M482-R484 PolarHBondContact O-N 3.1Å; M482-E485 PolarHBondContact O-N 3.43Å; M482-Q486 WeakPolarHBondContact O-CB 3.38Å; M482-Q486 PolarHBondContact O-N 3.23Å
483	K	95.8	Very high	95.2	Very high	133 Å²	133	81.2 Å²	81.2	58%	0.578	39%	0.393	S	S	*	.	H	α-helix	trans	-59.8	-40.2	177.4	-74.1	172.3	-175.1	171.5	0	112.3	N479 R481 A487	N479-K483 VanDerWaalsContact O-CG 3.32Å; N479-K483 WeakPolarHBondContact O-CG 3.35Å; N479-K483 PolarHBondContact O-N 3.28Å; R481-K483 VanDerWaalsContact C-N 3.35Å; R481-K483 PolarHBondContact O-N 3.41Å; K483-A487 VanDerWaalsContact O-CB 3.29Å; K483-A487 WeakPolarHBondContact O-CB 3.43Å; K483-A487 PolarHBondContact O-N 3.31Å
484	R	94.7	Very high	94.7	Very high	162 Å²	162	85.2 Å²	85.2	61%	0.611	40%	0.402	S	S	*	.	H	α-helix	trans	-65.8	-45.9	176.4	-75	-176.6	-64.5	126	-4.3	111.7	D480 R481 M482 Q486 A487 E488	D480-R484 WeakPolarHBondContact O-CG 3.46Å; D480-R484 PolarHBondContact O-N 3.16Å; D480-R484 PolarHBondContact O-NE 2.9Å; R481-R484 PolarHBondContact O-N 2.95Å; R481-R484 VanDerWaalsContact O-N 3.16Å; M482-R484 VanDerWaalsContact C-N 3.31Å; M482-R484 PolarHBondContact O-N 3.1Å; R484-Q486 VanDerWaalsContact C-N 3.33Å; R484-Q486 PolarHBondContact O-N 2.66Å; R484-A487 PolarHBondContact O-N 3.29Å; R484-E488 WeakPolarHBondContact O-CB 3.31Å; R484-E488 PolarHBondContact O-N 2.92Å
485	E	93.1	Very high	94.3	Very high	77 Å²	77	91.2 Å²	91.2	36%	0.36	43%	0.427	S	S	.	.	H	α-helix	trans	-63.5	-40.1	178.2	-71.1	171.8	-176	0	0	111.2	R481 M482 E488 L489	R481-E485 HydrophobicContact CG-CG 4.46Å; R481-E485 WeakPolarHBondContact CG-OE1 3.48Å; R481-E485 IonicContact CZ-OE1 2.89Å; R481-E485 IonicContact NE-OE1 3.17Å; R481-E485 PolarHBondContact NE-OE1 2.88Å; R481-E485 IonicContact NH2-OE1 2.81Å; R481-E485 WeakPolarHBondContact O-CG 3.38Å; R481-E485 PolarHBondContact O-N 3.38Å; M482-E485 PolarHBondContact O-N 3.43Å; E485-E488 PolarHBondContact O-N 3.44Å; E485-L489 WeakPolarHBondContact O-CB 3.48Å; E485-L489 PolarHBondContact O-N 2.91Å
486	Q	94.3	Very high	93.7	Very high	121 Å²	121	99.4 Å²	99.4	57%	0.565	46%	0.456	S	S	*	.	H	α-helix	trans	-65.1	-45.2	173.9	-172	-177.8	7.5	0	0	112.2	M482 R484 E488 L489 L490	M482-Q486 WeakPolarHBondContact O-CB 3.38Å; M482-Q486 PolarHBondContact O-N 3.23Å; R484-Q486 VanDerWaalsContact C-N 3.33Å; R484-Q486 PolarHBondContact O-N 2.66Å; Q486-E488 VanDerWaalsContact C-N 3.3Å; Q486-E488 PolarHBondContact O-N 3.43Å; Q486-L489 PolarHBondContact O-N 2.91Å; Q486-L490 HydrophobicContact CG-CD1 4.32Å; Q486-L490 WeakPolarHBondContact O-CB 3.38Å; Q486-L490 VanDerWaalsContact O-CG 3.31Å; Q486-L490 WeakPolarHBondContact O-CG 3.41Å; Q486-L490 PolarHBondContact O-N 3.31Å
487	A	94.5	Very high	93	Very high	60 Å²	60	98.1 Å²	98.1	50%	0.496	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-38.7	177.3	0	0	0	0	0	111.8	K483 R484 S491	K483-A487 VanDerWaalsContact O-CB 3.29Å; K483-A487 WeakPolarHBondContact O-CB 3.43Å; K483-A487 PolarHBondContact O-N 3.31Å; R484-A487 PolarHBondContact O-N 3.29Å; A487-S491 WeakPolarHBondContact O-CB 3.33Å; A487-S491 PolarHBondContact O-N 2.95Å
488	E	93.9	Very high	91.8	Very high	100 Å²	100	98 Å²	98	47%	0.467	45%	0.454	S	S	.	.	H	α-helix	trans	-65.3	-45.4	174.5	-175.5	174.3	178.2	0	0	111.7	R484 E485 Q486 L490 S491 R492	R484-E488 WeakPolarHBondContact O-CB 3.31Å; R484-E488 PolarHBondContact O-N 2.92Å; E485-E488 PolarHBondContact O-N 3.44Å; Q486-E488 VanDerWaalsContact C-N 3.3Å; Q486-E488 PolarHBondContact O-N 3.43Å; E488-L490 VanDerWaalsContact C-N 3.35Å; E488-L490 PolarHBondContact O-N 3.49Å; E488-S491 WeakPolarHBondContact O-CB 3.44Å; E488-S491 PolarHBondContact O-N 3.04Å; E488-R492 WeakPolarHBondContact O-CG 3.44Å; E488-R492 PolarHBondContact O-N 2.92Å; E488-R492 IonicContact OE1-CZ 3.92Å; E488-R492 IonicContact OE1-NE 2.71Å; E488-R492 PolarHBondContact OE1-NE 2.93Å; E488-R492 IonicContact OE1-NH2 2.79Å; E488-R492 PolarHBondContact OE1-NH2 3.43Å
489	L	93.4	Very high	90.3	Very high	104 Å²	104	103.5 Å²	103.5	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-59.4	-45.8	176.3	-178.1	62.4	0	0	0	111.3	E485 Q486 S491 R492 I493	E485-L489 WeakPolarHBondContact O-CB 3.48Å; E485-L489 PolarHBondContact O-N 2.91Å; Q486-L489 PolarHBondContact O-N 2.91Å; L489-S491 VanDerWaalsContact C-N 3.33Å; L489-S491 PolarHBondContact O-N 3.33Å; L489-R492 PolarHBondContact O-N 3.21Å; L489-I493 HydrophobicContact CD1-CD1 4.37Å; L489-I493 HydrophobicContact CG-CD1 4.04Å; L489-I493 WeakPolarHBondContact O-CG1 3.35Å; L489-I493 PolarHBondContact O-N 3.43Å
490	L	93.4	Very high	88.5	Confident	81 Å²	81	108.3 Å²	108.3	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-40.4	176.1	-72.1	172.7	0	0	0	112.1	Q486 E488 I493 R494	Q486-L490 HydrophobicContact CG-CD1 4.32Å; Q486-L490 WeakPolarHBondContact O-CB 3.38Å; Q486-L490 VanDerWaalsContact O-CG 3.31Å; Q486-L490 WeakPolarHBondContact O-CG 3.41Å; Q486-L490 PolarHBondContact O-N 3.31Å; E488-L490 VanDerWaalsContact C-N 3.35Å; E488-L490 PolarHBondContact O-N 3.49Å; L490-I493 PolarHBondContact O-N 3.21Å; L490-R494 WeakPolarHBondContact O-CG 3.49Å; L490-R494 PolarHBondContact O-N 3.4Å
491	S	92.2	Very high	86.4	Confident	54 Å²	54	114 Å²	114	38%	0.378	54%	0.538	S	S	.	.	H	α-helix	trans	-62.5	-42.2	174.7	-176.6	0	0	0	0	112	A487 E488 L489 R494 K495	A487-S491 WeakPolarHBondContact O-CB 3.33Å; A487-S491 PolarHBondContact O-N 2.95Å; E488-S491 WeakPolarHBondContact O-CB 3.44Å; E488-S491 PolarHBondContact O-N 3.04Å; L489-S491 VanDerWaalsContact C-N 3.33Å; L489-S491 PolarHBondContact O-N 3.33Å; S491-R494 PolarHBondContact O-N 3.37Å; S491-K495 WeakPolarHBondContact O-CG 3.29Å; S491-K495 PolarHBondContact O-N 3.4Å
492	R	92	Very high	86	Confident	149 Å²	149	116.4 Å²	116.4	56%	0.562	55%	0.552	S	S	*	*	H	α-helix	trans	-65.2	-39.4	176.2	-69.8	175.9	-177.9	-160.6	1.7	112.1	E488 L489 R496	E488-R492 WeakPolarHBondContact O-CG 3.44Å; E488-R492 PolarHBondContact O-N 2.92Å; E488-R492 IonicContact OE1-CZ 3.92Å; E488-R492 IonicContact OE1-NE 2.71Å; E488-R492 PolarHBondContact OE1-NE 2.93Å; E488-R492 IonicContact OE1-NH2 2.79Å; E488-R492 PolarHBondContact OE1-NH2 3.43Å; L489-R492 PolarHBondContact O-N 3.21Å; R492-R496 WeakPolarHBondContact O-CG 3.25Å; R492-R496 PolarHBondContact O-N 3.2Å
493	I	91.6	Very high	85.5	Confident	87 Å²	87	120.1 Å²	120.1	45%	0.446	57%	0.569	S	S	.	*	H	α-helix	trans	-63.7	-49.7	175.4	-68.3	166.5	0	0	0	110	L489 L490 K495 R496 T497	L489-I493 HydrophobicContact CD1-CD1 4.37Å; L489-I493 HydrophobicContact CG-CD1 4.04Å; L489-I493 WeakPolarHBondContact O-CG1 3.35Å; L489-I493 PolarHBondContact O-N 3.43Å; L490-I493 PolarHBondContact O-N 3.21Å; I493-K495 VanDerWaalsContact C-N 3.31Å; I493-K495 PolarHBondContact O-N 2.98Å; I493-R496 PolarHBondContact O-N 2.95Å; I493-T497 HydrophobicContact CG2-CG2 4.36Å; I493-T497 PolarHBondContact O-N 3.46Å; I493-T497 PolarHBondContact O-OG1 2.91Å
494	R	88.6	Confident	84.9	Confident	163 Å²	163	119.4 Å²	119.4	62%	0.615	57%	0.568	S	S	*	*	H	α-helix	trans	-58	-40.7	178.4	-73.2	177.5	-173.3	173.2	2.2	113.1	L490 S491 R496 T497 H498	L490-R494 WeakPolarHBondContact O-CG 3.49Å; L490-R494 PolarHBondContact O-N 3.4Å; S491-R494 PolarHBondContact O-N 3.37Å; R494-R496 VanDerWaalsContact C-N 3.31Å; R494-R496 PolarHBondContact O-N 3.23Å; R494-T497 WeakPolarHBondContact CA-OG1 3.36Å; R494-T497 PolarHBondContact O-N 3.3Å; R494-T497 PolarHBondContact O-OG1 2.88Å; R494-H498 PolarHBondContact O-CD2 3.26Å; R494-H498 PolarHBondContact O-N 3.4Å; R494-H498 VanDerWaalsContact O-N 3.11Å
495	K	87.6	Confident	84.3	Confident	144 Å²	144	116.9 Å²	116.9	63%	0.626	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-34.7	176.1	-74.6	179.3	-178.5	-176.9	0	112.6	S491 I493 V499	S491-K495 WeakPolarHBondContact O-CG 3.29Å; S491-K495 PolarHBondContact O-N 3.4Å; I493-K495 VanDerWaalsContact C-N 3.31Å; I493-K495 PolarHBondContact O-N 2.98Å; K495-V499 VanDerWaalsContact O-CG2 3.25Å; K495-V499 WeakPolarHBondContact O-CG2 3.39Å
496	R	85	Confident	83.8	Confident	195 Å²	195	119.4 Å²	119.4	74%	0.736	58%	0.579	S	S	*	*	H	α-helix	trans	-75.8	-35.3	176.9	-73.2	-179.5	178.1	-178.6	-0.9	112.4	R492 I493 R494 V499	R492-R496 WeakPolarHBondContact O-CG 3.25Å; R492-R496 PolarHBondContact O-N 3.2Å; I493-R496 PolarHBondContact O-N 2.95Å; R494-R496 VanDerWaalsContact C-N 3.31Å; R494-R496 PolarHBondContact O-N 3.23Å; R496-V499 PolarHBondContact O-N 3.1Å
497	T	82.2	Confident	83.1	Confident	67 Å²	67	119.3 Å²	119.3	41%	0.411	58%	0.58	S	S	.	*	H	α-helix	trans	-67	-41.8	176.8	53.5	0	0	0	0	111.6	I493 R494 V499 N500 E501	I493-T497 HydrophobicContact CG2-CG2 4.36Å; I493-T497 PolarHBondContact O-N 3.46Å; I493-T497 PolarHBondContact O-OG1 2.91Å; R494-T497 WeakPolarHBondContact CA-OG1 3.36Å; R494-T497 PolarHBondContact O-N 3.3Å; R494-T497 PolarHBondContact O-OG1 2.88Å; T497-V499 PolarHBondContact O-N 3.45Å; T497-N500 PolarHBondContact O-N 3.02Å; T497-E501 PolarHBondContact O-N 3.11Å
498	H	73.1	Confident	82.2	Confident	122 Å²	122	123.5 Å²	123.5	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-72.1	-8.1	177.3	-70	-52.1	0	0	0	115.4	R494 E501	R494-H498 PolarHBondContact O-CD2 3.26Å; R494-H498 PolarHBondContact O-N 3.4Å; R494-H498 VanDerWaalsContact O-N 3.11Å; H498-E501 IonicContact ND1-OE2 3.41Å; H498-E501 PolarHBondContact ND1-OE2 3.41Å
499	V	65.6	Low	81.3	Confident	116 Å²	116	125.3 Å²	125.3	70%	0.703	60%	0.595	S	S	*	*	H	α-helix	trans	-93.2	-18	174.1	171.4	0	0	0	0	111.4	K495 R496 T497	K495-V499 VanDerWaalsContact O-CG2 3.25Å; K495-V499 WeakPolarHBondContact O-CG2 3.39Å; R496-V499 PolarHBondContact O-N 3.1Å; T497-V499 PolarHBondContact O-N 3.45Å
500	N	59.6	Low	80.3	Confident	148 Å²	148	127.1 Å²	127.1	79%	0.791	60%	0.599	S	S	*	*	H	α-helix	trans	-97.5	-11.6	177.4	-71.9	-12.2	0	0	0	113.2	T497	T497-N500 PolarHBondContact O-N 3.02Å
501	E	53.1	Low	79.1	Confident	199 Å²	199	131.3 Å²	131.3	93%	0.93	62%	0.615	S	S	*	*			trans	-85.1	0	163.1	-69.6	176.2	165.8	0	0	109.4	T497 H498	T497-E501 PolarHBondContact O-N 3.11Å; H498-E501 IonicContact ND1-OE2 3.41Å; H498-E501 PolarHBondContact ND1-OE2 3.41Å

Retrieved 501 of 501 residues in 808.7 ms (Link to these results)

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