A0A077Z3D3_TRITR Loading...

CXXC-type zinc finger protein 1

AlphaFold DB , UniProt , Accession A0A077Z3D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)

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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	42	Very low	40.2	Very low	242 Å²	242	140.6 Å²	140.6	100%	1.192	80%	0.8	S	S	*	*				0	115	0	-69.4	179.5	179.1	0	0	105.1
2	D	39.3	Very low	42.3	Very low	164 Å²	164	132.3 Å²	132.3	88%	0.877	77%	0.768	S	S	*	*			trans	-62.5	128.9	171.2	177.7	23.8	0	0	0	108.4
3	D	40.9	Very low	44.9	Very low	159 Å²	159	126.2 Å²	126.2	85%	0.85	74%	0.735	S	S	*	*			trans	-142.9	79.1	169.6	-163.8	24.5	0	0	0	109.1
4	G	40.3	Very low	47.2	Very low	50 Å²	50	122.6 Å²	122.6	52%	0.515	70%	0.704	S	S	.	*				50.7	87.4	125.2	0	0	0	0	0	117.1
5	T	39.1	Very low	49.9	Very low	127 Å²	127	115.6 Å²	115.6	78%	0.779	67%	0.665	S	S	*	*			trans	-57.8	126.3	148.8	34.8	0	0	0	0	109.4	K7	T5-K7 PolarHBondContact O-N 3.03Å
6	P	36.8	Very low	52.2	Low	115 Å²	115	113.9 Å²	113.9	75%	0.747	65%	0.652	S	S	*	*			trans	-74.5	102.7	174.6	28.3	-29.1	0	0	0	108.5	S8	P6-S8 PolarHBondContact O-N 3.07Å
7	K	34.7	Very low	54.4	Low	203 Å²	203	110.9 Å²	110.9	88%	0.883	64%	0.639	S	S	*	*			trans	-72.3	83.1	158.1	-74.7	-172.4	175.9	-174.2	0	107.8	T5 D9	T5-K7 PolarHBondContact O-N 3.03Å; K7-D9 PolarHBondContact O-N 3.02Å
8	S	36.5	Very low	56	Low	93 Å²	93	112.8 Å²	112.8	65%	0.65	64%	0.64	S	S	*	*			trans	-83.9	104.8	169.8	57	0	0	0	0	109.7	P6	P6-S8 PolarHBondContact O-N 3.07Å
9	D	36.3	Very low	57.2	Low	151 Å²	151	109.2 Å²	109.2	81%	0.807	62%	0.623	S	S	*	*	S	Bend	trans	68.9	111.8	132.7	-50.4	-36.6	0	0	0	120.5	K7	K7-D9 PolarHBondContact O-N 3.02Å
10	A	42.7	Very low	58.1	Low	101 Å²	101	111.8 Å²	111.8	84%	0.835	62%	0.624	S	S	*	*			trans	86.1	47.7	151.8	0	0	0	0	0	118.9	G12	A10-G12 PolarHBondContact O-N 3.5Å
11	E	53.1	Low	58.8	Low	142 Å²	142	108.7 Å²	108.7	66%	0.664	61%	0.606	S	S	*	*			trans	-71.5	82.7	153.4	-82.8	172	168.5	0	0	109.2	Y20	E11-Y20 WeakPolarHBondContact O-CE1 3.11Å
12	G	65.9	Low	60.3	Low	40 Å²	40	101.1 Å²	101.1	41%	0.412	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-65	155.1	163.7	0	0	0	0	0	110.5	A10 Y14	A10-G12 PolarHBondContact O-N 3.5Å; G12-Y14 PolarHBondContact O-N 2.9Å
13	P	75.4	Confident	62.2	Low	53 Å²	53	101 Å²	101	34%	0.344	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-61	134.8	-179.2	27.4	-35.3	0	0	0	111	Q18 Y20	P13-Q18 VanDerWaalsContact CB-C 3.49Å; P13-Q18 HydrophobicContact CB-CB 3.98Å; P13-Q18 VanDerWaalsContact CB-O 3.31Å; P13-Q18 WeakPolarHBondContact CB-O 3.27Å; P13-Q18 HydrophobicContact CG-CB 4.08Å; P13-Q18 HydrophobicContact CG-CG 4.48Å; P13-Y20 HydrophobicContact CB-CE1 4.24Å; P13-Y20 HydrophobicContact CB-CE2 4.31Å
14	Y	77.6	Confident	64.2	Low	77 Å²	77	99.8 Å²	99.8	30%	0.302	55%	0.553	S	S	.	*	B	Isolated β-bridge	trans	-83.8	167.8	176.2	-56.7	-70.9	0	0	0	111.2	G12 D22 W35	G12-Y14 PolarHBondContact O-N 2.9Å; Y14-D22 WeakPolarHBondContact CD2-OD1 3.4Å; Y14-W35 HydrophobicContact CD1-CB 4.44Å
15	C	87.6	Confident	66.6	Low	17 Å²	17	100.5 Å²	100.5	12%	0.115	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	170	175.4	-165.9	0	0	0	0	115	C17 Q18 W35 H37 C40	C15-C17 PolarHBondContact O-N 3.36Å; C15-Q18 PolarHBondContact O-N 3.44Å; C15-W35 VanDerWaalsContact CA-O 3.25Å; C15-W35 WeakPolarHBondContact CA-O 3.45Å; C15-W35 PolarHBondContact N-O 2.86Å; C15-H37 WeakPolarHBondContact CB-ND1 3.45Å; C15-H37 PolarHBondContact SG-N 2.99Å; C15-H37 PolarHBondContact SG-ND1 3.31Å; C15-H37 VanDerWaalsContact SG-ND1 3.42Å; C15-C40 WeakPolarHBondContact SG-CB 3.19Å
16	I	86.9	Confident	69.1	Low	89 Å²	89	96.2 Å²	96.2	46%	0.456	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.4	173.6	57.7	174.5	0	0	0	113.3	Q18 F36 C40 P58	I16-Q18 VanDerWaalsContact C-N 3.26Å; I16-F36 HydrophobicContact CG2-CD1 4.04Å; I16-F36 HydrophobicContact CG2-CE1 3.7Å; I16-C40 HydrophobicContact CD1-CB 4.29Å; I16-C40 WeakPolarHBondContact CD1-O 3.38Å; I16-C40 HydrophobicContact CG1-CB 3.99Å; I16-P58 HydrophobicContact CG2-CG 4.24Å
17	C	89.5	Confident	71.8	Confident	63 Å²	63	91.6 Å²	91.6	43%	0.426	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.9	177.7	64.4	0	0	0	0	113.1	C15 S19 H37	C15-C17 PolarHBondContact O-N 3.36Å; C17-S19 PolarHBondContact O-N 3.34Å; C17-H37 PolarHBondContact SG-ND1 3.03Å; C17-H37 VanDerWaalsContact SG-ND1 3.35Å
18	Q	83.1	Confident	74.5	Confident	144 Å²	144	84 Å²	84	67%	0.673	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	35.4	-177.2	-58.7	-175.6	-8.5	0	0	113.6	P13 C15 I16	P13-Q18 VanDerWaalsContact CB-C 3.49Å; P13-Q18 HydrophobicContact CB-CB 3.98Å; P13-Q18 VanDerWaalsContact CB-O 3.31Å; P13-Q18 WeakPolarHBondContact CB-O 3.27Å; P13-Q18 HydrophobicContact CG-CB 4.08Å; P13-Q18 HydrophobicContact CG-CG 4.48Å; C15-Q18 PolarHBondContact O-N 3.44Å; I16-Q18 VanDerWaalsContact C-N 3.26Å
19	S	78.1	Confident	77.3	Confident	44 Å²	44	79.6 Å²	79.6	31%	0.308	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-93.9	146.3	177.5	-174.9	0	0	0	0	110.9	C17 D21	C17-S19 PolarHBondContact O-N 3.34Å; S19-D21 VanDerWaalsContact C-N 3.27Å; S19-D21 WeakPolarHBondContact OG-CB 3.39Å; S19-D21 PolarHBondContact OG-N 3.44Å
20	Y	76.2	Confident	80	Confident	162 Å²	162	76.2 Å²	76.2	64%	0.635	41%	0.406	S	S	*	.			trans	-88.6	10.3	172.2	-60.3	-88.5	0	0	0	112.9	E11 P13 D22	E11-Y20 WeakPolarHBondContact O-CE1 3.11Å; P13-Y20 HydrophobicContact CB-CE1 4.24Å; P13-Y20 HydrophobicContact CB-CE2 4.31Å; Y20-D22 PolarHBondContact O-N 2.92Å
21	D	73	Confident	82.4	Confident	46 Å²	46	74.7 Å²	74.7	25%	0.246	38%	0.384	C	S	.	.			trans	-78.9	96.3	-177.7	-175.5	3.9	0	0	0	110.7	S19 D23 R24 H37	S19-D21 VanDerWaalsContact C-N 3.27Å; S19-D21 WeakPolarHBondContact OG-CB 3.39Å; S19-D21 PolarHBondContact OG-N 3.44Å; D21-D23 PolarHBondContact OD1-N 3Å; D21-R24 IonicContact OD2-CZ 2.78Å; D21-R24 VanDerWaalsContact OD2-CZ 3.28Å; D21-R24 IonicContact OD2-NE 2.93Å; D21-R24 PolarHBondContact OD2-NE 3.35Å; D21-R24 IonicContact OD2-NH2 3.9Å; D21-R24 PolarHBondContact OD2-NH2 3.38Å; D21-H37 PolarHBondContact O-NE2 3.47Å
22	D	72.3	Confident	84.2	Confident	83 Å²	83	70 Å²	70	44%	0.444	37%	0.366	S	S	.	.			trans	-88.2	-4.6	-177.6	-67.7	-13.2	0	0	0	113.8	Y14 Y20 R24	Y14-D22 WeakPolarHBondContact CD2-OD1 3.4Å; Y20-D22 PolarHBondContact O-N 2.92Å; D22-R24 VanDerWaalsContact C-N 3.27Å; D22-R24 PolarHBondContact O-N 3.5Å
23	D	79	Confident	85.3	Confident	161 Å²	161	73.8 Å²	73.8	86%	0.861	38%	0.377	S	S	*	.	S	Bend	trans	-78.5	-9.5	-174.6	-76.4	-24.1	0	0	0	113.5	D21	D21-D23 PolarHBondContact OD1-N 3Å
24	R	83.7	Confident	86	Confident	134 Å²	134	76 Å²	76	51%	0.506	39%	0.386	S	S	.	.	S	Bend	trans	-89.7	153.7	-180	-57.6	-174.7	-162.6	-165.3	5.8	111.6	D21 D22 M26	D21-R24 IonicContact OD2-CZ 2.78Å; D21-R24 VanDerWaalsContact OD2-CZ 3.28Å; D21-R24 IonicContact OD2-NE 2.93Å; D21-R24 PolarHBondContact OD2-NE 3.35Å; D21-R24 IonicContact OD2-NH2 3.9Å; D21-R24 PolarHBondContact OD2-NH2 3.38Å; D22-R24 VanDerWaalsContact C-N 3.27Å; D22-R24 PolarHBondContact O-N 3.5Å; R24-M26 WeakPolarHBondContact O-CG 3.13Å; R24-M26 PolarHBondContact O-N 3.11Å; R24-M26 VanDerWaalsContact O-N 3.16Å
25	F	90.3	Very high	86.8	Confident	66 Å²	66	78.1 Å²	78.1	29%	0.289	39%	0.393	S	S	.	.			trans	-55.3	122.7	172.8	162	-106.3	0	0	0	111.2	I27 G38 I43 Q45 A48	F25-I27 HydrophobicContact CZ-CB 4.19Å; F25-G38 PolarHBondContact O-N 2.88Å; F25-I43 WeakPolarHBondContact CE1-O 3.47Å; F25-Q45 HydrophobicContact CD1-CB 4.07Å; F25-Q45 HydrophobicContact CD2-CB 4.13Å; F25-Q45 HydrophobicContact CD2-CG 3.78Å; F25-Q45 HydrophobicContact CE1-CB 4.34Å; F25-Q45 HydrophobicContact CE2-CB 4.39Å; F25-Q45 HydrophobicContact CE2-CG 4.04Å; F25-Q45 HydrophobicContact CG-CB 3.98Å; F25-Q45 HydrophobicContact CG-CG 4.11Å; F25-A48 HydrophobicContact CE1-CB 4.15Å; F25-A48 HydrophobicContact CE2-CB 4.11Å; F25-A48 HydrophobicContact CZ-CB 3.36Å
26	M	91.7	Very high	87	Confident	36 Å²	36	77.7 Å²	77.7	18%	0.177	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.1	177.2	-55.9	-171.5	86.9	0	0	112.7	R24 W35 F36	R24-M26 WeakPolarHBondContact O-CG 3.13Å; R24-M26 PolarHBondContact O-N 3.11Å; R24-M26 VanDerWaalsContact O-N 3.16Å; M26-W35 HydrophobicContact CB-CE3 3.86Å; M26-W35 HydrophobicContact CB-CZ3 4.44Å; M26-W35 HydrophobicContact CE-CB 3.69Å; M26-W35 HydrophobicContact SD-CB 4.37Å; M26-F36 CarbonylContact C-O 3.29Å; M26-F36 WeakPolarHBondContact CA-O 3.47Å
27	I	93.5	Very high	87.3	Confident	19 Å²	19	73.7 Å²	73.7	10%	0.097	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139	175	-170.6	167.1	0	0	0	109.8	F25 F36 V41 I43 A48 F54	F25-I27 HydrophobicContact CZ-CB 4.19Å; I27-F36 PolarHBondContact N-O 3.27Å; I27-F36 PolarHBondContact O-N 2.79Å; I27-V41 HydrophobicContact CG2-CG2 3.89Å; I27-I43 HydrophobicContact CD1-CG2 4.2Å; I27-A48 HydrophobicContact CD1-CB 4.12Å; I27-F54 HydrophobicContact CD1-CB 3.7Å; I27-F54 HydrophobicContact CD1-CD1 4.02Å; I27-F54 HydrophobicContact CD1-CD2 3.89Å; I27-F54 HydrophobicContact CD1-CG 3.58Å; I27-F54 HydrophobicContact CG1-CB 4.11Å; I27-F54 HydrophobicContact CG1-CD1 3.84Å; I27-F54 HydrophobicContact CG1-CE1 4.47Å; I27-F54 HydrophobicContact CG1-CG 3.92Å; I27-F54 HydrophobicContact CG2-CD1 3.99Å; I27-F54 HydrophobicContact CG2-CE1 3.74Å; I27-F54 HydrophobicContact CG2-CG 4.48Å; I27-F54 HydrophobicContact CG2-CZ 4.03Å
28	S	91.9	Very high	87.4	Confident	44 Å²	44	70.8 Å²	70.8	31%	0.308	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.4	177.9	60.3	0	0	0	0	111.3	F54	S28-F54 WeakPolarHBondContact O-CD1 3.22Å
29	C	94.8	Very high	87.7	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.348	C	S	.	.			trans	-80.1	123.8	173.8	179.2	0	0	0	0	111.1	N31 C32 D33 N34 F36 F54 C56 C59	C29-N31 PolarHBondContact O-N 3.2Å; C29-C32 VanDerWaalsContact SG-SG 3.6Å; C29-D33 WeakPolarHBondContact O-CA 3.49Å; C29-D33 PolarHBondContact O-N 3.5Å; C29-N34 PolarHBondContact N-O 2.8Å; C29-F36 HydrophobicContact CB-CD2 4.34Å; C29-F36 HydrophobicContact CB-CE2 3.8Å; C29-F54 HydrophobicContact CB-CD1 4.42Å; C29-F54 HydrophobicContact CB-CE1 4.48Å; C29-C56 HydrophobicContact CB-CB 4.01Å; C29-C56 PolarHBondContact SG-N 3.49Å; C29-C59 VanDerWaalsContact SG-SG 3.7Å
30	D	94	Very high	88.4	Confident	79 Å²	79	69.8 Å²	69.8	42%	0.422	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	0.6	179.1	-67.3	-77.7	0	0	0	114.7	K53 F54 Y55	D30-K53 VanDerWaalsContact OD2-C 3.31Å; D30-K53 WeakPolarHBondContact OD2-CA 3.42Å; D30-F54 PolarHBondContact N-O 2.74Å; D30-F54 PolarHBondContact OD2-N 3.32Å; D30-Y55 HydrophobicContact CB-CD1 4.24Å; D30-Y55 HydrophobicContact CB-CE1 3.82Å
31	N	91.8	Very high	89.2	Confident	69 Å²	69	62.9 Å²	62.9	37%	0.369	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-41.4	178.5	-177.1	80.2	0	0	0	113.4	C29 Y55 C59 L66	C29-N31 PolarHBondContact O-N 3.2Å; N31-Y55 HydrophobicContact CB-CD1 3.72Å; N31-Y55 HydrophobicContact CB-CE1 4.08Å; N31-C59 HydrophobicContact CB-CB 4.28Å; N31-C59 PolarHBondContact ND2-SG 2.85Å; N31-L66 HydrophobicContact CB-CD1 4.07Å
32	C	92	Very high	90.1	Very high	44 Å²	44	67.4 Å²	67.4	30%	0.297	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-0.1	-179.7	66.1	0	0	0	0	113.8	C29 N34	C29-C32 VanDerWaalsContact SG-SG 3.6Å; C32-N34 PolarHBondContact O-N 3.23Å
33	D	89.1	Confident	91	Very high	120 Å²	120	63.9 Å²	63.9	64%	0.642	33%	0.328	S	S	*	.			trans	54.6	11.9	-180	-63	-34.5	0	0	0	115.9	C29	C29-D33 WeakPolarHBondContact O-CA 3.49Å; C29-D33 PolarHBondContact O-N 3.5Å
34	N	90.8	Very high	91.5	Very high	99 Å²	99	59.6 Å²	59.6	53%	0.529	31%	0.308	S	S	.	.			trans	-77.4	149.9	173.6	-73.1	-33.4	0	0	0	112	C29 C32 F36	C29-N34 PolarHBondContact N-O 2.8Å; C32-N34 PolarHBondContact O-N 3.23Å; N34-F36 HydrophobicContact CB-CE2 3.7Å; N34-F36 HydrophobicContact CB-CZ 3.83Å; N34-F36 VanDerWaalsContact O-CD2 3.28Å; N34-F36 WeakPolarHBondContact O-CD2 3.31Å; N34-F36 WeakPolarHBondContact O-CE2 3.49Å
35	W	92.6	Very high	91.8	Very high	122 Å²	122	58.9 Å²	58.9	46%	0.462	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137	177.5	-70	92.7	0	0	0	112.1	Y14 C15 M26	Y14-W35 HydrophobicContact CD1-CB 4.44Å; C15-W35 VanDerWaalsContact CA-O 3.25Å; C15-W35 WeakPolarHBondContact CA-O 3.45Å; C15-W35 PolarHBondContact N-O 2.86Å; M26-W35 HydrophobicContact CB-CE3 3.86Å; M26-W35 HydrophobicContact CB-CZ3 4.44Å; M26-W35 HydrophobicContact CE-CB 3.69Å; M26-W35 HydrophobicContact SD-CB 4.37Å
36	F	93.5	Very high	91.7	Very high	8 Å²	8	65.9 Å²	65.9	4%	0.035	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.8	-179.7	-59.5	-90.3	0	0	0	110.8	I16 M26 I27 C29 N34 G38 V41 F54 C56	I16-F36 HydrophobicContact CG2-CD1 4.04Å; I16-F36 HydrophobicContact CG2-CE1 3.7Å; M26-F36 CarbonylContact C-O 3.29Å; M26-F36 WeakPolarHBondContact CA-O 3.47Å; I27-F36 PolarHBondContact N-O 3.27Å; I27-F36 PolarHBondContact O-N 2.79Å; C29-F36 HydrophobicContact CB-CD2 4.34Å; C29-F36 HydrophobicContact CB-CE2 3.8Å; N34-F36 HydrophobicContact CB-CE2 3.7Å; N34-F36 HydrophobicContact CB-CZ 3.83Å; N34-F36 VanDerWaalsContact O-CD2 3.28Å; N34-F36 WeakPolarHBondContact O-CD2 3.31Å; N34-F36 WeakPolarHBondContact O-CE2 3.49Å; F36-G38 PolarHBondContact O-N 3.13Å; F36-V41 HydrophobicContact CB-CG1 3.6Å; F36-V41 HydrophobicContact CB-CG2 4.14Å; F36-V41 HydrophobicContact CD1-CG1 3.86Å; F36-V41 HydrophobicContact CG-CG1 3.82Å; F36-F54 HydrophobicContact CD2-CE1 4.33Å; F36-C56 HydrophobicContact CD1-CB 4.49Å; F36-C56 HydrophobicContact CD2-CB 3.89Å; F36-C56 HydrophobicContact CE1-CB 4.1Å; F36-C56 HydrophobicContact CE2-CB 3.43Å; F36-C56 VanDerWaalsContact CE2-CB 3.43Å; F36-C56 HydrophobicContact CG-CB 4.41Å; F36-C56 HydrophobicContact CZ-CB 3.56Å; F36-C56 VanDerWaalsContact CZ-SG 3.58Å
37	H	92.7	Very high	91.4	Very high	5 Å²	5	68.1 Å²	68.1	2%	0.023	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.2	168.5	-55.4	113.5	0	0	0	109.8	C15 C17 D21 D39 C40 V41	C15-H37 WeakPolarHBondContact CB-ND1 3.45Å; C15-H37 PolarHBondContact SG-N 2.99Å; C15-H37 PolarHBondContact SG-ND1 3.31Å; C15-H37 VanDerWaalsContact SG-ND1 3.42Å; C17-H37 PolarHBondContact SG-ND1 3.03Å; C17-H37 VanDerWaalsContact SG-ND1 3.35Å; D21-H37 PolarHBondContact O-NE2 3.47Å; H37-D39 PolarHBondContact O-N 3.37Å; H37-C40 HydrophobicContact CB-CB 4.13Å; H37-C40 WeakPolarHBondContact O-CB 3.36Å; H37-C40 PolarHBondContact O-N 3.26Å; H37-V41 WeakPolarHBondContact O-CG2 3.15Å; H37-V41 PolarHBondContact O-N 3.42Å
38	G	90.8	Very high	91.2	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.01	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-41.6	178	0	0	0	0	0	112.5	F25 F36 C40 V41 N42 I43	F25-G38 PolarHBondContact O-N 2.88Å; F36-G38 PolarHBondContact O-N 3.13Å; G38-C40 PolarHBondContact O-N 3.39Å; G38-V41 CarbonylContact O-C 3.49Å; G38-V41 PolarHBondContact O-N 3.22Å; G38-N42 WeakPolarHBondContact O-CA 3.19Å; G38-N42 PolarHBondContact O-N 2.77Å; G38-I43 CarbonylContact C-O 3.58Å; G38-I43 VanDerWaalsContact C-O 3.28Å; G38-I43 WeakPolarHBondContact CA-O 3.42Å; G38-I43 PolarHBondContact O-N 3.42Å
39	D	89.8	Confident	91	Very high	122 Å²	122	73.6 Å²	73.6	65%	0.652	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-38.2	177.7	-59.7	-28.9	0	0	0	112.6	H37 V41 N42	H37-D39 PolarHBondContact O-N 3.37Å; D39-V41 VanDerWaalsContact C-N 3.33Å; D39-V41 PolarHBondContact O-N 3.18Å; D39-N42 PolarHBondContact O-N 3.03Å
40	C	92.8	Very high	90.7	Very high	46 Å²	46	80.2 Å²	80.2	31%	0.311	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.7	-179.4	-69.6	0	0	0	0	112.7	C15 I16 H37 G38	C15-C40 WeakPolarHBondContact SG-CB 3.19Å; I16-C40 HydrophobicContact CD1-CB 4.29Å; I16-C40 WeakPolarHBondContact CD1-O 3.38Å; I16-C40 HydrophobicContact CG1-CB 3.99Å; H37-C40 HydrophobicContact CB-CB 4.13Å; H37-C40 WeakPolarHBondContact O-CB 3.36Å; H37-C40 PolarHBondContact O-N 3.26Å; G38-C40 PolarHBondContact O-N 3.39Å
41	V	93.1	Very high	90.5	Very high	17 Å²	17	77.2 Å²	77.2	10%	0.103	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	12.7	177.1	-63.7	0	0	0	0	113.3	I27 F36 H37 G38 D39 I43 F54 P57	I27-V41 HydrophobicContact CG2-CG2 3.89Å; F36-V41 HydrophobicContact CB-CG1 3.6Å; F36-V41 HydrophobicContact CB-CG2 4.14Å; F36-V41 HydrophobicContact CD1-CG1 3.86Å; F36-V41 HydrophobicContact CG-CG1 3.82Å; H37-V41 WeakPolarHBondContact O-CG2 3.15Å; H37-V41 PolarHBondContact O-N 3.42Å; G38-V41 CarbonylContact O-C 3.49Å; G38-V41 PolarHBondContact O-N 3.22Å; D39-V41 VanDerWaalsContact C-N 3.33Å; D39-V41 PolarHBondContact O-N 3.18Å; V41-I43 VanDerWaalsContact C-N 3.29Å; V41-I43 HydrophobicContact CG2-CB 4.31Å; V41-I43 HydrophobicContact CG2-CG1 4.33Å; V41-I43 PolarHBondContact O-N 3.48Å; V41-F54 HydrophobicContact CB-CZ 3.88Å; V41-F54 HydrophobicContact CG1-CZ 4.21Å; V41-F54 HydrophobicContact CG2-CE1 4.43Å; V41-F54 HydrophobicContact CG2-CE2 4.23Å; V41-F54 HydrophobicContact CG2-CZ 3.64Å; V41-P57 HydrophobicContact CG1-CG 4.28Å
42	N	91.4	Very high	90.3	Very high	140 Å²	140	79 Å²	79	75%	0.749	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	40	178.7	-155.6	20.8	0	0	0	114	G38 D39	G38-N42 WeakPolarHBondContact O-CA 3.19Å; G38-N42 PolarHBondContact O-N 2.77Å; D39-N42 PolarHBondContact O-N 3.03Å
43	I	91.7	Very high	90.3	Very high	9 Å²	9	81.6 Å²	81.6	5%	0.046	40%	0.395	C	S	.	.			trans	-119	115.3	173.8	-66.2	-66.6	0	0	0	109.4	F25 I27 G38 V41 Q47 A48 F54 I68	F25-I43 WeakPolarHBondContact CE1-O 3.47Å; I27-I43 HydrophobicContact CD1-CG2 4.2Å; G38-I43 CarbonylContact C-O 3.58Å; G38-I43 VanDerWaalsContact C-O 3.28Å; G38-I43 WeakPolarHBondContact CA-O 3.42Å; G38-I43 PolarHBondContact O-N 3.42Å; V41-I43 VanDerWaalsContact C-N 3.29Å; V41-I43 HydrophobicContact CG2-CB 4.31Å; V41-I43 HydrophobicContact CG2-CG1 4.33Å; V41-I43 PolarHBondContact O-N 3.48Å; I43-Q47 HydrophobicContact CG2-CB 4.22Å; I43-A48 HydrophobicContact CG2-CB 4Å; I43-F54 HydrophobicContact CG1-CD2 4.29Å; I43-F54 HydrophobicContact CG1-CE2 3.8Å; I43-I68 HydrophobicContact CD1-CD1 4.09Å
44	T	89.5	Confident	90.6	Very high	71 Å²	71	76.1 Å²	76.1	44%	0.436	37%	0.365	S	S	.	.			trans	-74.6	154.4	172.4	62.3	0	0	0	0	111.4	R46 Q47 A48	T44-R46 PolarHBondContact O-N 3.17Å; T44-Q47 WeakPolarHBondContact O-CB 3.31Å; T44-Q47 PolarHBondContact O-N 3.33Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.47Å; T44-Q47 PolarHBondContact OG1-N 2.78Å; T44-Q47 PolarHBondContact OG1-OE1 2.86Å; T44-Q47 VanDerWaalsContact OG1-OE1 3.09Å; T44-A48 PolarHBondContact O-N 3.38Å
45	Q	89.5	Confident	90.8	Very high	120 Å²	120	73 Å²	73	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-54.7	-30.4	174.1	-164.6	-178.7	32.8	0	0	112.8	F25 K49	F25-Q45 HydrophobicContact CD1-CB 4.07Å; F25-Q45 HydrophobicContact CD2-CB 4.13Å; F25-Q45 HydrophobicContact CD2-CG 3.78Å; F25-Q45 HydrophobicContact CE1-CB 4.34Å; F25-Q45 HydrophobicContact CE2-CB 4.39Å; F25-Q45 HydrophobicContact CE2-CG 4.04Å; F25-Q45 HydrophobicContact CG-CB 3.98Å; F25-Q45 HydrophobicContact CG-CG 4.11Å; Q45-K49 PolarHBondContact O-N 3.46Å
46	R	88.8	Confident	90.9	Very high	213 Å²	213	67.2 Å²	67.2	80%	0.804	32%	0.324	S	S	*	.	H	α-helix	trans	-70	-38.3	175	-68.9	-177.1	-173.9	154.3	1.9	112.9	T44	T44-R46 PolarHBondContact O-N 3.17Å
47	Q	86.2	Confident	90.8	Very high	82 Å²	82	68.8 Å²	68.8	38%	0.383	34%	0.336	S	S	.	.	H	α-helix	trans	-70.3	-42.7	175.1	-75.2	162.9	-31.6	0	0	110.7	I43 T44 K49 K50 V51	I43-Q47 HydrophobicContact CG2-CB 4.22Å; T44-Q47 WeakPolarHBondContact O-CB 3.31Å; T44-Q47 PolarHBondContact O-N 3.33Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.47Å; T44-Q47 PolarHBondContact OG1-N 2.78Å; T44-Q47 PolarHBondContact OG1-OE1 2.86Å; T44-Q47 VanDerWaalsContact OG1-OE1 3.09Å; Q47-K49 VanDerWaalsContact C-N 3.27Å; Q47-K49 PolarHBondContact O-N 2.84Å; Q47-K50 WeakPolarHBondContact O-CA 3.41Å; Q47-K50 WeakPolarHBondContact O-CB 3.3Å; Q47-K50 PolarHBondContact O-N 3.04Å; Q47-V51 PolarHBondContact O-N 3.39Å
48	A	88.7	Confident	90.8	Very high	20 Å²	20	71.8 Å²	71.8	17%	0.165	36%	0.355	C	S	.	.	H	α-helix	trans	-55.1	-38.9	179.9	0	0	0	0	0	113.2	F25 I27 I43 T44 K50 V51	F25-A48 HydrophobicContact CE1-CB 4.15Å; F25-A48 HydrophobicContact CE2-CB 4.11Å; F25-A48 HydrophobicContact CZ-CB 3.36Å; I27-A48 HydrophobicContact CD1-CB 4.12Å; I43-A48 HydrophobicContact CG2-CB 4Å; T44-A48 PolarHBondContact O-N 3.38Å; A48-K50 PolarHBondContact O-N 3.04Å; A48-K50 VanDerWaalsContact O-N 3.09Å; A48-V51 WeakPolarHBondContact O-CB 3.47Å; A48-V51 PolarHBondContact O-N 3.33Å
49	K	87.9	Confident	91	Very high	158 Å²	158	72.1 Å²	72.1	69%	0.687	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.8	174	-71	-178.8	-178.3	-174.9	0	114.1	Q45 Q47	Q45-K49 PolarHBondContact O-N 3.46Å; Q47-K49 VanDerWaalsContact C-N 3.27Å; Q47-K49 PolarHBondContact O-N 2.84Å
50	K	88.2	Confident	91.1	Very high	139 Å²	139	71.5 Å²	71.5	60%	0.604	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-9.4	178.3	-58.1	-179.8	-177.3	179.4	0	112.4	Q47 A48 Y70 R71	Q47-K50 WeakPolarHBondContact O-CA 3.41Å; Q47-K50 WeakPolarHBondContact O-CB 3.3Å; Q47-K50 PolarHBondContact O-N 3.04Å; A48-K50 PolarHBondContact O-N 3.04Å; A48-K50 VanDerWaalsContact O-N 3.09Å; K50-Y70 HydrophobicContact CB-CD1 4.42Å; K50-Y70 CarbonylContact O-C 3.6Å; K50-Y70 WeakPolarHBondContact O-CA 3.2Å; K50-R71 PolarHBondContact O-N 3.16Å
51	V	89.6	Confident	91	Very high	16 Å²	16	75.6 Å²	75.6	10%	0.097	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.4	177.4	179.2	0	0	0	0	108.7	Q47 A48 K53 F54 I68 Y70	Q47-V51 PolarHBondContact O-N 3.39Å; A48-V51 WeakPolarHBondContact O-CB 3.47Å; A48-V51 PolarHBondContact O-N 3.33Å; V51-K53 VanDerWaalsContact CG1-O 3.3Å; V51-K53 WeakPolarHBondContact CG1-O 3.24Å; V51-F54 HydrophobicContact CG1-CB 3.86Å; V51-I68 HydrophobicContact CB-CG2 4.42Å; V51-I68 HydrophobicContact CG1-CG2 3.71Å; V51-I68 HydrophobicContact CG2-CG2 3.82Å; V51-Y70 HydrophobicContact CG2-CD1 3.94Å; V51-Y70 HydrophobicContact CG2-CE1 3.67Å
52	L	88.8	Confident	91	Very high	106 Å²	106	78.7 Å²	78.7	56%	0.555	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	-42.1	170.6	-175.3	70.9	0	0	0	110.7	V69 R71	L52-V69 WeakPolarHBondContact CA-O 3.44Å; L52-V69 HydrophobicContact CB-CG1 4.27Å; L52-V69 HydrophobicContact CD2-CG1 4.18Å; L52-V69 PolarHBondContact N-O 3.07Å; L52-R71 HydrophobicContact CB-CG 4.22Å; L52-R71 HydrophobicContact CD1-CG 4.49Å
53	K	91.6	Very high	90.9	Very high	100 Å²	100	76.1 Å²	76.1	44%	0.435	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.7	171.1	-64	-166.3	174.2	-165.6	0	110.9	D30 V51 Y55 I68 V69	D30-K53 VanDerWaalsContact OD2-C 3.31Å; D30-K53 WeakPolarHBondContact OD2-CA 3.42Å; V51-K53 VanDerWaalsContact CG1-O 3.3Å; V51-K53 WeakPolarHBondContact CG1-O 3.24Å; K53-Y55 HydrophobicContact CB-CE2 4.24Å; K53-Y55 WeakPolarHBondContact CD-OH 3.46Å; K53-I68 WeakPolarHBondContact O-CA 3.42Å; K53-V69 HydrophobicContact CB-CB 4.1Å; K53-V69 HydrophobicContact CB-CG2 4.2Å; K53-V69 PolarHBondContact N-O 2.82Å; K53-V69 PolarHBondContact O-N 2.93Å
54	F	94.8	Very high	90.7	Very high	5 Å²	5	80.7 Å²	80.7	2%	0.022	40%	0.401	C	S	.	.			trans	-104.2	133.1	176.1	176.5	-107.8	0	0	0	110.7	I27 S28 C29 D30 F36 V41 I43 V51 C56 I68	I27-F54 HydrophobicContact CD1-CB 3.7Å; I27-F54 HydrophobicContact CD1-CD1 4.02Å; I27-F54 HydrophobicContact CD1-CD2 3.89Å; I27-F54 HydrophobicContact CD1-CG 3.58Å; I27-F54 HydrophobicContact CG1-CB 4.11Å; I27-F54 HydrophobicContact CG1-CD1 3.84Å; I27-F54 HydrophobicContact CG1-CE1 4.47Å; I27-F54 HydrophobicContact CG1-CG 3.92Å; I27-F54 HydrophobicContact CG2-CD1 3.99Å; I27-F54 HydrophobicContact CG2-CE1 3.74Å; I27-F54 HydrophobicContact CG2-CG 4.48Å; I27-F54 HydrophobicContact CG2-CZ 4.03Å; S28-F54 WeakPolarHBondContact O-CD1 3.22Å; C29-F54 HydrophobicContact CB-CD1 4.42Å; C29-F54 HydrophobicContact CB-CE1 4.48Å; D30-F54 PolarHBondContact N-O 2.74Å; D30-F54 PolarHBondContact OD2-N 3.32Å; F36-F54 HydrophobicContact CD2-CE1 4.33Å; V41-F54 HydrophobicContact CB-CZ 3.88Å; V41-F54 HydrophobicContact CG1-CZ 4.21Å; V41-F54 HydrophobicContact CG2-CE1 4.43Å; V41-F54 HydrophobicContact CG2-CE2 4.23Å; V41-F54 HydrophobicContact CG2-CZ 3.64Å; I43-F54 HydrophobicContact CG1-CD2 4.29Å; I43-F54 HydrophobicContact CG1-CE2 3.8Å; V51-F54 HydrophobicContact CG1-CB 3.86Å; F54-C56 HydrophobicContact CE1-CB 4.08Å; F54-C56 HydrophobicContact CZ-CB 4.32Å; F54-I68 HydrophobicContact CD2-CD1 3.9Å; F54-I68 HydrophobicContact CD2-CG1 4.15Å; F54-I68 HydrophobicContact CE2-CD1 3.96Å
55	Y	95	Very high	90.6	Very high	32 Å²	32	82 Å²	82	13%	0.125	41%	0.413	C	S	.	.			trans	-124.9	127.6	170.9	-55.4	-68.6	0	0	0	109.1	D30 N31 K53 R60 L66 K67	D30-Y55 HydrophobicContact CB-CD1 4.24Å; D30-Y55 HydrophobicContact CB-CE1 3.82Å; N31-Y55 HydrophobicContact CB-CD1 3.72Å; N31-Y55 HydrophobicContact CB-CE1 4.08Å; K53-Y55 HydrophobicContact CB-CE2 4.24Å; K53-Y55 WeakPolarHBondContact CD-OH 3.46Å; Y55-R60 WeakPolarHBondContact O-CD 3.29Å; Y55-L66 HydrophobicContact CD1-CD1 4.33Å; Y55-L66 HydrophobicContact CD1-CD2 4.19Å; Y55-L66 HydrophobicContact CD2-CB 3.98Å; Y55-L66 HydrophobicContact CD2-CD2 4.39Å; Y55-L66 HydrophobicContact CE1-CD2 3.99Å; Y55-L66 HydrophobicContact CE2-CD2 4.2Å; Y55-L66 HydrophobicContact CG-CB 3.96Å; Y55-L66 HydrophobicContact CG-CD1 4.49Å; Y55-L66 HydrophobicContact CG-CD2 4.37Å; Y55-K67 VanDerWaalsContact CD2-O 3.27Å; Y55-K67 WeakPolarHBondContact CD2-O 3.4Å; Y55-K67 VanDerWaalsContact CE2-O 3.32Å; Y55-K67 WeakPolarHBondContact CE2-O 3.48Å
56	C	94.4	Very high	90.6	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.007	39%	0.391	C	S	.	.			trans	-70.6	160	-177	69.2	0	0	0	0	112.2	C29 F36 F54 C59 R60	C29-C56 HydrophobicContact CB-CB 4.01Å; C29-C56 PolarHBondContact SG-N 3.49Å; F36-C56 HydrophobicContact CD1-CB 4.49Å; F36-C56 HydrophobicContact CD2-CB 3.89Å; F36-C56 HydrophobicContact CE1-CB 4.1Å; F36-C56 HydrophobicContact CE2-CB 3.43Å; F36-C56 VanDerWaalsContact CE2-CB 3.43Å; F36-C56 HydrophobicContact CG-CB 4.41Å; F36-C56 HydrophobicContact CZ-CB 3.56Å; F36-C56 VanDerWaalsContact CZ-SG 3.58Å; F54-C56 HydrophobicContact CE1-CB 4.08Å; F54-C56 HydrophobicContact CZ-CB 4.32Å; C56-C59 PolarHBondContact O-N 3.29Å; C56-C59 VanDerWaalsContact O-N 3.13Å; C56-C59 PolarHBondContact SG-SG 3.21Å; C56-R60 WeakPolarHBondContact O-CG 3.22Å; C56-R60 PolarHBondContact O-N 3Å
57	P	92.7	Very high	90.6	Very high	42 Å²	42	74.3 Å²	74.3	27%	0.273	38%	0.384	S	S	.	.	H	α-helix	trans	-53.4	-46.5	179.8	-21.5	30.6	0	0	0	114	V41 C59 R60 D61	V41-P57 HydrophobicContact CG1-CG 4.28Å; P57-C59 VanDerWaalsContact C-N 3.31Å; P57-C59 PolarHBondContact O-N 3.47Å; P57-R60 PolarHBondContact O-N 3.46Å; P57-R60 VanDerWaalsContact O-N 3.08Å; P57-D61 VanDerWaalsContact O-CG 3.24Å; P57-D61 PolarHBondContact O-N 3.19Å
58	P	92	Very high	90.8	Very high	67 Å²	67	71.8 Å²	71.8	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-56.6	-40.7	176.3	-26	34.1	0	0	0	114	I16 S62	I16-P58 HydrophobicContact CG2-CG 4.24Å; P58-S62 WeakPolarHBondContact O-CB 3.34Å; P58-S62 PolarHBondContact O-N 3.35Å; P58-S62 PolarHBondContact O-OG 3.3Å
59	C	95.2	Very high	90.8	Very high	8 Å²	8	73.9 Å²	73.9	5%	0.054	38%	0.383	C	S	.	.	H	α-helix	trans	-67.7	-42	177.3	-72.5	0	0	0	0	111.3	C29 N31 C56 P57 D61 S62 Q63 L66	C29-C59 VanDerWaalsContact SG-SG 3.7Å; N31-C59 HydrophobicContact CB-CB 4.28Å; N31-C59 PolarHBondContact ND2-SG 2.85Å; C56-C59 PolarHBondContact O-N 3.29Å; C56-C59 VanDerWaalsContact O-N 3.13Å; C56-C59 PolarHBondContact SG-SG 3.21Å; P57-C59 VanDerWaalsContact C-N 3.31Å; P57-C59 PolarHBondContact O-N 3.47Å; C59-D61 VanDerWaalsContact C-N 3.32Å; C59-D61 PolarHBondContact O-N 3.38Å; C59-S62 WeakPolarHBondContact CA-OG 3.13Å; C59-S62 PolarHBondContact O-N 3.13Å; C59-S62 PolarHBondContact O-OG 3.31Å; C59-Q63 PolarHBondContact O-N 3.44Å; C59-L66 HydrophobicContact CB-CD1 3.98Å
60	R	91.7	Very high	90.7	Very high	110 Å²	110	71.8 Å²	71.8	42%	0.415	37%	0.372	S	S	.	.	H	α-helix	trans	-67.5	-32.1	179.2	-66.5	175.2	51.5	-153.7	-13	112.9	Y55 C56 P57 Q63 L66	Y55-R60 WeakPolarHBondContact O-CD 3.29Å; C56-R60 WeakPolarHBondContact O-CG 3.22Å; C56-R60 PolarHBondContact O-N 3Å; P57-R60 PolarHBondContact O-N 3.46Å; P57-R60 VanDerWaalsContact O-N 3.08Å; R60-Q63 CarbonylContact O-C 3.53Å; R60-Q63 VanDerWaalsContact O-C 3.29Å; R60-L66 HydrophobicContact CG-CB 4.33Å; R60-L66 WeakPolarHBondContact CG-O 2.94Å
61	D	90.5	Very high	90.3	Very high	132 Å²	132	73 Å²	73	71%	0.706	37%	0.373	S	S	*	.	H	α-helix	trans	-73.8	-38.4	174.8	-64.5	-22.1	0	0	0	111	P57 C59	P57-D61 VanDerWaalsContact O-CG 3.24Å; P57-D61 PolarHBondContact O-N 3.19Å; C59-D61 VanDerWaalsContact C-N 3.32Å; C59-D61 PolarHBondContact O-N 3.38Å
62	S	92.1	Very high	89.2	Confident	81 Å²	81	78 Å²	78	57%	0.566	40%	0.403	S	S	*	.	H	α-helix	trans	-70.6	-34	175.2	73.2	0	0	0	0	113.5	P58 C59	P58-S62 WeakPolarHBondContact O-CB 3.34Å; P58-S62 PolarHBondContact O-N 3.35Å; P58-S62 PolarHBondContact O-OG 3.3Å; C59-S62 WeakPolarHBondContact CA-OG 3.13Å; C59-S62 PolarHBondContact O-N 3.13Å; C59-S62 PolarHBondContact O-OG 3.31Å
63	Q	89.5	Confident	87.2	Confident	87 Å²	87	79 Å²	79	41%	0.407	42%	0.417	S	S	.	.			trans	-134.7	95.4	-179.2	-66.6	-172.1	21.4	0	0	109.9	C59 R60 S65 L66	C59-Q63 PolarHBondContact O-N 3.44Å; R60-Q63 CarbonylContact O-C 3.53Å; R60-Q63 VanDerWaalsContact O-C 3.29Å; Q63-S65 PolarHBondContact O-N 3.16Å; Q63-L66 HydrophobicContact CB-CD1 3.8Å; Q63-L66 HydrophobicContact CB-CG 3.83Å; Q63-L66 HydrophobicContact CG-CD1 4.49Å; Q63-L66 WeakPolarHBondContact O-CB 3.44Å; Q63-L66 PolarHBondContact O-N 3.44Å
64	P	87.9	Confident	84.9	Confident	105 Å²	105	81.6 Å²	81.6	68%	0.682	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.5	-178.3	-26.1	35	0	0	0	115.1	L66	P64-L66 VanDerWaalsContact C-N 3.29Å
65	S	87.5	Confident	82.1	Confident	98 Å²	98	89.5 Å²	89.5	69%	0.685	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.3	173.6	56.2	0	0	0	0	112.9	Q63 K67	Q63-S65 PolarHBondContact O-N 3.16Å; S65-K67 PolarHBondContact O-N 3.43Å
66	L	89.2	Confident	79.5	Confident	20 Å²	20	93.9 Å²	93.9	11%	0.105	50%	0.497	C	S	.	.			trans	-76.4	116	179.8	-61.5	-179.9	0	0	0	110.4	N31 Y55 C59 R60 Q63 P64	N31-L66 HydrophobicContact CB-CD1 4.07Å; Y55-L66 HydrophobicContact CD1-CD1 4.33Å; Y55-L66 HydrophobicContact CD1-CD2 4.19Å; Y55-L66 HydrophobicContact CD2-CB 3.98Å; Y55-L66 HydrophobicContact CD2-CD2 4.39Å; Y55-L66 HydrophobicContact CE1-CD2 3.99Å; Y55-L66 HydrophobicContact CE2-CD2 4.2Å; Y55-L66 HydrophobicContact CG-CB 3.96Å; Y55-L66 HydrophobicContact CG-CD1 4.49Å; Y55-L66 HydrophobicContact CG-CD2 4.37Å; C59-L66 HydrophobicContact CB-CD1 3.98Å; R60-L66 HydrophobicContact CG-CB 4.33Å; R60-L66 WeakPolarHBondContact CG-O 2.94Å; Q63-L66 HydrophobicContact CB-CD1 3.8Å; Q63-L66 HydrophobicContact CB-CG 3.83Å; Q63-L66 HydrophobicContact CG-CD1 4.49Å; Q63-L66 WeakPolarHBondContact O-CB 3.44Å; Q63-L66 PolarHBondContact O-N 3.44Å; P64-L66 VanDerWaalsContact C-N 3.29Å
67	K	88.8	Confident	76.9	Confident	152 Å²	152	98.6 Å²	98.6	66%	0.661	53%	0.53	S	S	*	.			trans	-130.4	143.2	175.7	-64.8	-178.3	-177.6	177	0	109.8	Y55 S65 V69	Y55-K67 VanDerWaalsContact CD2-O 3.27Å; Y55-K67 WeakPolarHBondContact CD2-O 3.4Å; Y55-K67 VanDerWaalsContact CE2-O 3.32Å; Y55-K67 WeakPolarHBondContact CE2-O 3.48Å; S65-K67 PolarHBondContact O-N 3.43Å; K67-V69 PolarHBondContact O-N 3.03Å
68	I	90.3	Very high	74.9	Confident	29 Å²	29	98.3 Å²	98.3	15%	0.149	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-60.9	123.3	176.7	-58.3	174.7	0	0	0	108.6	I43 V51 K53 F54 Y70	I43-I68 HydrophobicContact CD1-CD1 4.09Å; V51-I68 HydrophobicContact CB-CG2 4.42Å; V51-I68 HydrophobicContact CG1-CG2 3.71Å; V51-I68 HydrophobicContact CG2-CG2 3.82Å; K53-I68 WeakPolarHBondContact O-CA 3.42Å; F54-I68 HydrophobicContact CD2-CD1 3.9Å; F54-I68 HydrophobicContact CD2-CG1 4.15Å; F54-I68 HydrophobicContact CE2-CD1 3.96Å; I68-Y70 HydrophobicContact CB-CE2 4.12Å; I68-Y70 HydrophobicContact CG2-CD2 4.42Å; I68-Y70 HydrophobicContact CG2-CE1 4.03Å; I68-Y70 HydrophobicContact CG2-CE2 3.84Å
69	V	88.3	Confident	72.8	Confident	63 Å²	63	102 Å²	102	38%	0.382	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.6	179.7	-176.7	0	0	0	0	108.2	L52 K53 K67	L52-V69 WeakPolarHBondContact CA-O 3.44Å; L52-V69 HydrophobicContact CB-CG1 4.27Å; L52-V69 HydrophobicContact CD2-CG1 4.18Å; L52-V69 PolarHBondContact N-O 3.07Å; K53-V69 HydrophobicContact CB-CB 4.1Å; K53-V69 HydrophobicContact CB-CG2 4.2Å; K53-V69 PolarHBondContact N-O 2.82Å; K53-V69 PolarHBondContact O-N 2.93Å; K67-V69 PolarHBondContact O-N 3.03Å
70	Y	87.5	Confident	70.6	Confident	114 Å²	114	109 Å²	109	45%	0.447	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	148.5	176.7	-61.4	-86.6	0	0	0	111.2	K50 V51 I68 T72	K50-Y70 HydrophobicContact CB-CD1 4.42Å; K50-Y70 CarbonylContact O-C 3.6Å; K50-Y70 WeakPolarHBondContact O-CA 3.2Å; V51-Y70 HydrophobicContact CG2-CD1 3.94Å; V51-Y70 HydrophobicContact CG2-CE1 3.67Å; I68-Y70 HydrophobicContact CB-CE2 4.12Å; I68-Y70 HydrophobicContact CG2-CD2 4.42Å; I68-Y70 HydrophobicContact CG2-CE1 4.03Å; I68-Y70 HydrophobicContact CG2-CE2 3.84Å; Y70-T72 PolarHBondContact O-N 3.28Å
71	R	79.3	Confident	68.8	Low	164 Å²	164	105.9 Å²	105.9	62%	0.619	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-61.4	117.7	167.2	-63.8	-179	-176.7	-159.7	-0.7	108	K50 L52	K50-R71 PolarHBondContact O-N 3.16Å; L52-R71 HydrophobicContact CB-CG 4.22Å; L52-R71 HydrophobicContact CD1-CG 4.49Å
72	T	66.8	Low	67.2	Low	121 Å²	121	102.6 Å²	102.6	74%	0.742	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-58.4	133.1	173.7	47.2	0	0	0	0	109.5	Y70 K74	Y70-T72 PolarHBondContact O-N 3.28Å; T72-K74 PolarHBondContact O-N 3.4Å; T72-K74 VanDerWaalsContact O-N 3.07Å
73	P	47.1	Very low	65.5	Low	128 Å²	128	107.6 Å²	107.6	83%	0.831	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-55.8	117.5	174.7	-20.5	30.3	0	0	0	109.7	Q75	P73-Q75 PolarHBondContact O-N 3.41Å
74	K	42.7	Very low	63.6	Low	155 Å²	155	111.4 Å²	111.4	67%	0.674	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-57.6	133.5	166.1	-74.3	-175	175.4	-174.9	0	106.8	T72 E98	T72-K74 PolarHBondContact O-N 3.4Å; T72-K74 VanDerWaalsContact O-N 3.07Å; K74-E98 IonicContact NZ-OE1 3.28Å; K74-E98 PolarHBondContact NZ-OE1 3.44Å; K74-E98 IonicContact NZ-OE2 2.67Å; K74-E98 PolarHBondContact NZ-OE2 3.2Å
75	Q	36.8	Very low	62.3	Low	170 Å²	170	109.5 Å²	109.5	79%	0.794	57%	0.57	S	S	*	*	S	Bend	trans	-47.8	146.1	173.8	-77.7	-179.5	-26.2	0	0	110.7	P73 S77	P73-Q75 PolarHBondContact O-N 3.41Å; Q75-S77 PolarHBondContact O-N 3.08Å
76	P	38.9	Very low	61	Low	124 Å²	124	114.5 Å²	114.5	81%	0.805	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-49.8	130.6	-165.3	15.7	-29.8	0	0	0	113	T78	P76-T78 PolarHBondContact O-N 3.44Å
77	S	41	Very low	60.2	Low	101 Å²	101	115.1 Å²	115.1	71%	0.706	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-59	124.6	-176.3	42.5	0	0	0	0	112.1	Q75 E79	Q75-S77 PolarHBondContact O-N 3.08Å; S77-E79 PolarHBondContact O-N 3.12Å
78	T	49.5	Very low	59.7	Low	36 Å²	36	109.6 Å²	109.6	22%	0.221	57%	0.571	C	S	.	*			trans	-70.8	48.8	174	43.4	0	0	0	0	113.1	P76 L80 L81 S82 R111	P76-T78 PolarHBondContact O-N 3.44Å; T78-L80 PolarHBondContact O-N 3.3Å; T78-L81 PolarHBondContact O-N 3.28Å; T78-S82 PolarHBondContact O-N 2.78Å; T78-R111 HydrophobicContact CG2-CG 4.48Å
79	E	47.4	Very low	58.8	Low	144 Å²	144	113.2 Å²	113.2	67%	0.673	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-25.4	-176.8	-148.7	173.5	-165.2	0	0	112.4	S77 S82	S77-E79 PolarHBondContact O-N 3.12Å; E79-S82 PolarHBondContact O-OG 3.08Å; E79-S82 VanDerWaalsContact O-OG 3.06Å
80	L	50.7	Low	57.9	Low	154 Å²	154	117.8 Å²	117.8	81%	0.806	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-28.9	174.6	-69.9	170.4	0	0	0	113.5	T78	T78-L80 PolarHBondContact O-N 3.3Å
81	L	53.9	Low	57.3	Low	45 Å²	45	113 Å²	113	24%	0.236	59%	0.594	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-29	-178.1	-117.4	75.9	0	0	0	112.9	T78 K83 Q84	T78-L81 PolarHBondContact O-N 3.28Å; L81-K83 PolarHBondContact O-N 2.87Å; L81-Q84 PolarHBondContact O-N 2.96Å
82	S	56.6	Low	57.1	Low	63 Å²	63	110.8 Å²	110.8	44%	0.441	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66	-23.5	178.6	44.5	0	0	0	0	113.7	T78 E79 Q84	T78-S82 PolarHBondContact O-N 2.78Å; E79-S82 PolarHBondContact O-OG 3.08Å; E79-S82 VanDerWaalsContact O-OG 3.06Å; S82-Q84 VanDerWaalsContact C-N 3.34Å; S82-Q84 PolarHBondContact O-N 3Å
83	K	56	Low	57.5	Low	186 Å²	186	105.1 Å²	105.1	81%	0.809	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-21.2	178.8	-80.8	-178.2	176.9	175.7	0	113.8	L81	L81-K83 PolarHBondContact O-N 2.87Å
84	Q	50.3	Low	58.9	Low	168 Å²	168	101 Å²	101	79%	0.785	53%	0.533	S	S	*	.	S	Bend	trans	-92.1	-10.6	-174.2	-89.5	177.8	-19.3	0	0	115.2	L81 S82	L81-Q84 PolarHBondContact O-N 2.96Å; S82-Q84 VanDerWaalsContact C-N 3.34Å; S82-Q84 PolarHBondContact O-N 3Å
85	V	58.9	Low	60.4	Low	65 Å²	65	100.3 Å²	100.3	39%	0.394	53%	0.53	S	S	.	.			trans	-108.3	100.7	-176.4	-173.8	0	0	0	0	110.6	G87 V114	V85-G87 PolarHBondContact O-N 3.36Å; V85-V114 HydrophobicContact CG2-CG2 3.84Å
86	K	61.1	Low	62.2	Low	202 Å²	202	97 Å²	97	88%	0.878	51%	0.511	S	S	*	.			trans	-64.8	95.6	168.1	-79.3	-177.1	178.4	177.6	0	109.4	S123	K86-S123 PolarHBondContact O-OG 3.18Å
87	G	72.7	Confident	64.1	Low	34 Å²	34	96.9 Å²	96.9	35%	0.351	51%	0.508	S	S	.	.			trans	-86	156.4	170.4	0	0	0	0	0	112.2	V85 T89	V85-G87 PolarHBondContact O-N 3.36Å; G87-T89 VanDerWaalsContact C-N 3.26Å; G87-T89 PolarHBondContact O-N 3.24Å
88	C	78.4	Confident	65.7	Low	36 Å²	36	97.9 Å²	97.9	24%	0.243	50%	0.501	C	S	.	.			trans	-76.5	-4.3	179.2	67.7	0	0	0	0	114.9	Q90 C91 C94 C120 N122	C88-Q90 PolarHBondContact O-N 3.45Å; C88-C91 VanDerWaalsContact SG-SG 3.63Å; C88-C94 PolarHBondContact N-SG 2.95Å; C88-C120 PolarHBondContact N-SG 2.95Å; C88-N122 HydrophobicContact CB-CB 4.06Å; C88-N122 PolarHBondContact SG-ND2 2.85Å
89	T	71	Confident	67.3	Low	104 Å²	104	98.4 Å²	98.4	64%	0.638	50%	0.503	S	S	*	.	S	Bend	trans	59.6	-5.1	-175.9	65.6	0	0	0	0	117.3	G87	G87-T89 VanDerWaalsContact C-N 3.26Å; G87-T89 PolarHBondContact O-N 3.24Å
90	Q	70.5	Confident	69	Low	160 Å²	160	93.8 Å²	93.8	75%	0.748	49%	0.486	S	S	*	.	S	Bend	trans	-115.9	-5.4	-175.2	-65.6	178.2	-0.2	0	0	114.6	C88 F95	C88-Q90 PolarHBondContact O-N 3.45Å; Q90-F95 VanDerWaalsContact O-CE2 3.23Å; Q90-F95 WeakPolarHBondContact O-CE2 3.36Å
91	C	74.3	Confident	70.4	Confident	13 Å²	13	88.9 Å²	88.9	9%	0.088	47%	0.473	C	S	.	.	S	Bend	trans	-95.9	160.4	-179.9	77.6	0	0	0	0	112.5	C88 G93 C94 F95 V121	C88-C91 VanDerWaalsContact SG-SG 3.63Å; C91-G93 PolarHBondContact O-N 3.08Å; C91-G93 VanDerWaalsContact O-N 3.11Å; C91-C94 WeakPolarHBondContact O-CA 3.2Å; C91-C94 PolarHBondContact O-N 2.89Å; C91-C94 PolarHBondContact SG-N 3.3Å; C91-C94 VanDerWaalsContact SG-N 3.39Å; C91-F95 WeakPolarHBondContact O-CD2 3.28Å; C91-F95 PolarHBondContact O-N 3.02Å; C91-V121 HydrophobicContact CB-CG2 3.37Å
92	I	74.6	Confident	71.5	Confident	117 Å²	117	97.7 Å²	97.7	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-54.3	-33	178.5	-163.5	166.3	0	0	0	113.3	R96	I92-R96 PolarHBondContact O-N 2.94Å
93	G	75.2	Confident	72.6	Confident	3 Å²	3	95.6 Å²	95.6	3%	0.031	49%	0.488	C	S	.	.	H	α-helix	trans	-67.8	-40.8	174.3	0	0	0	0	0	112.9	C91 R118	C91-G93 PolarHBondContact O-N 3.08Å; C91-G93 VanDerWaalsContact O-N 3.11Å; G93-R118 VanDerWaalsContact O-CA 3.31Å; G93-R118 WeakPolarHBondContact O-CA 3.42Å
94	C	77.6	Confident	73.7	Confident	40 Å²	40	89.6 Å²	89.6	27%	0.27	46%	0.464	S	S	.	.	H	α-helix	trans	-75.1	-30.3	177.5	-66.7	0	0	0	0	113.4	C88 C91 R96 C120	C88-C94 PolarHBondContact N-SG 2.95Å; C91-C94 WeakPolarHBondContact O-CA 3.2Å; C91-C94 PolarHBondContact O-N 2.89Å; C91-C94 PolarHBondContact SG-N 3.3Å; C91-C94 VanDerWaalsContact SG-N 3.39Å; C94-R96 VanDerWaalsContact C-N 3.25Å; C94-R96 PolarHBondContact O-N 3.38Å; C94-C120 VanDerWaalsContact SG-CB 3.59Å
95	F	73.5	Confident	75.2	Confident	142 Å²	142	83.9 Å²	83.9	62%	0.623	44%	0.438	S	S	*	.	H	α-helix	trans	-71	-20.5	176.9	-81.5	-60.3	0	0	0	113.4	Q90 C91 T97	Q90-F95 VanDerWaalsContact O-CE2 3.23Å; Q90-F95 WeakPolarHBondContact O-CE2 3.36Å; C91-F95 WeakPolarHBondContact O-CD2 3.28Å; C91-F95 PolarHBondContact O-N 3.02Å; F95-T97 PolarHBondContact O-N 3.46Å
96	R	74.6	Confident	76.2	Confident	100 Å²	100	81.3 Å²	81.3	38%	0.377	42%	0.423	S	S	.	.			trans	-73.8	115.6	177.6	-81.5	174	162.9	159.2	-1.9	110.8	I92 C94 L117 R118	I92-R96 PolarHBondContact O-N 2.94Å; C94-R96 VanDerWaalsContact C-N 3.25Å; C94-R96 PolarHBondContact O-N 3.38Å; R96-L117 WeakPolarHBondContact CD-O 3.49Å; R96-L117 VanDerWaalsContact NH1-CB 3.26Å; R96-L117 PolarHBondContact NH1-O 3.36Å; R96-R118 HydrophobicContact CB-CG 3.83Å; R96-R118 PolarHBondContact O-NE 3.23Å
97	T	77.8	Confident	77.1	Confident	122 Å²	122	75.9 Å²	75.9	75%	0.748	41%	0.407	S	S	*	.			trans	-83.6	-22.7	177.7	52.1	0	0	0	0	112.8	F95	F95-T97 PolarHBondContact O-N 3.46Å
98	E	75.3	Confident	77.4	Confident	122 Å²	122	76 Å²	76	57%	0.57	41%	0.405	S	S	*	.	S	Bend	trans	-117	145.5	-176.1	-55.8	-152.5	152.7	0	0	113.5	K74 R118	K74-E98 IonicContact NZ-OE1 3.28Å; K74-E98 PolarHBondContact NZ-OE1 3.44Å; K74-E98 IonicContact NZ-OE2 2.67Å; K74-E98 PolarHBondContact NZ-OE2 3.2Å; E98-R118 WeakPolarHBondContact O-CD 3.48Å
99	D	82.6	Confident	77.4	Confident	46 Å²	46	81.1 Å²	81.1	25%	0.246	44%	0.435	C	S	.	.			trans	-78.4	139.2	171.9	-63.8	-28.2	0	0	0	110.5	G101 R111 C115 R118	D99-G101 VanDerWaalsContact C-N 3.26Å; D99-G101 PolarHBondContact O-N 3.45Å; D99-R111 IonicContact OD1-NH2 2.87Å; D99-R111 PolarHBondContact OD1-NH2 3.11Å; D99-R111 IonicContact OD2-CZ 3.54Å; D99-R111 IonicContact OD2-NH1 3.13Å; D99-R111 PolarHBondContact OD2-NH1 3.41Å; D99-R111 IonicContact OD2-NH2 3.65Å; D99-R111 PolarHBondContact OD2-NH2 3.31Å; D99-C115 HydrophobicContact CB-CB 4.13Å; D99-R118 WeakPolarHBondContact OD1-CD 3.41Å; D99-R118 IonicContact OD1-CZ 3.03Å; D99-R118 IonicContact OD1-NE 2.69Å; D99-R118 IonicContact OD1-NH1 3.17Å; D99-R118 PolarHBondContact OD1-NH1 2.97Å
100	C	84	Confident	77.3	Confident	48 Å²	48	81.2 Å²	81.2	32%	0.324	44%	0.437	S	S	.	.			trans	-71.8	-16.3	-174.6	76.3	0	0	0	0	115.1	R102 C103 C115 L117	C100-R102 PolarHBondContact O-N 3.35Å; C100-R102 PolarHBondContact SG-N 3.42Å; C100-C103 PolarHBondContact SG-N 2.96Å; C100-C103 VanDerWaalsContact SG-N 3.38Å; C100-C103 VanDerWaalsContact SG-SG 3.62Å; C100-C115 PolarHBondContact N-SG 3.39Å; C100-C115 PolarHBondContact SG-SG 3.29Å; C100-L117 HydrophobicContact CB-CD1 3.79Å; C100-L117 HydrophobicContact CB-CG 4.43Å
101	G	80.5	Confident	77.4	Confident	51 Å²	51	76.6 Å²	76.6	53%	0.526	41%	0.413	S	S	.	.	S	Bend	trans	68.5	-7.8	-178.6	0	0	0	0	0	116.2	D99	D99-G101 VanDerWaalsContact C-N 3.26Å; D99-G101 PolarHBondContact O-N 3.45Å
102	R	77.2	Confident	77.6	Confident	230 Å²	230	80.1 Å²	80.1	87%	0.868	43%	0.434	S	S	*	.			trans	-115.7	-15.9	-172.6	-63.4	-178.2	-174.1	172.7	1.7	115.6	C100	C100-R102 PolarHBondContact O-N 3.35Å; C100-R102 PolarHBondContact SG-N 3.42Å
103	C	79.3	Confident	77.9	Confident	19 Å²	19	79.4 Å²	79.4	13%	0.128	43%	0.428	C	S	.	.	S	Bend	trans	-76.7	156	176.9	66.4	0	0	0	0	111	C100 M105 C106 T107 R116	C100-C103 PolarHBondContact SG-N 2.96Å; C100-C103 VanDerWaalsContact SG-N 3.38Å; C100-C103 VanDerWaalsContact SG-SG 3.62Å; C103-M105 PolarHBondContact O-N 3.43Å; C103-M105 VanDerWaalsContact O-N 3.16Å; C103-C106 CarbonylContact O-C 3.51Å; C103-C106 WeakPolarHBondContact O-CA 3.25Å; C103-C106 WeakPolarHBondContact O-CB 3.47Å; C103-C106 PolarHBondContact O-N 3.26Å; C103-C106 PolarHBondContact SG-N 3.43Å; C103-C106 VanDerWaalsContact SG-N 3.45Å; C103-C106 PolarHBondContact SG-SG 3.31Å; C103-T107 PolarHBondContact O-N 2.93Å; C103-T107 PolarHBondContact O-OG1 3.31Å; C103-R116 HydrophobicContact CB-CB 4.2Å; C103-R116 HydrophobicContact CB-CG 4.28Å
104	D	79.2	Confident	78.3	Confident	59 Å²	59	80.4 Å²	80.4	32%	0.316	43%	0.433	S	S	.	.	H	α-helix	trans	-40.9	-46.8	168.8	61.2	-23.8	0	0	0	113.9	C106 T107 A108 R116	D104-C106 PolarHBondContact O-N 2.85Å; D104-T107 WeakPolarHBondContact CA-OG1 3.39Å; D104-T107 PolarHBondContact O-N 2.89Å; D104-T107 PolarHBondContact O-OG1 3.36Å; D104-A108 VanDerWaalsContact O-CB 3.23Å; D104-A108 WeakPolarHBondContact O-CB 3.29Å; D104-A108 PolarHBondContact O-N 2.82Å; D104-R116 VanDerWaalsContact OD1-CD 3.24Å; D104-R116 WeakPolarHBondContact OD1-CD 3.5Å; D104-R116 WeakPolarHBondContact OD1-CG 3.47Å; D104-R116 IonicContact OD1-CZ 2.71Å; D104-R116 IonicContact OD1-NE 3.51Å; D104-R116 PolarHBondContact OD1-NE 3.27Å; D104-R116 IonicContact OD1-NH2 2.67Å; D104-R116 IonicContact OD2-CZ 2.64Å; D104-R116 IonicContact OD2-NE 3.85Å; D104-R116 PolarHBondContact OD2-NE 3.35Å; D104-R116 IonicContact OD2-NH2 3.11Å; D104-R116 PolarHBondContact OD2-NH2 2.74Å
105	M	80.9	Confident	78.6	Confident	48 Å²	48	78.5 Å²	78.5	24%	0.236	42%	0.42	C	S	.	.	H	α-helix	trans	-67.9	-20.8	178.8	-57.1	-75.5	100.4	0	0	113.2	C103 R111 H113 V114 R116	C103-M105 PolarHBondContact O-N 3.43Å; C103-M105 VanDerWaalsContact O-N 3.16Å; M105-R111 WeakPolarHBondContact O-CG 3.27Å; M105-R111 PolarHBondContact O-NE 3.16Å; M105-H113 HydrophobicContact CB-CB 4.38Å; M105-H113 HydrophobicContact CG-CB 4.3Å; M105-H113 HydrophobicContact SD-CB 3.28Å; M105-H113 WeakPolarHBondContact SD-CB 3.16Å; M105-H113 VanDerWaalsContact SD-CD2 3.54Å; M105-V114 WeakPolarHBondContact CB-O 3.35Å; M105-R116 HydrophobicContact CB-CG 4.48Å; M105-R116 HydrophobicContact CG-CG 3.7Å
106	C	79.3	Confident	79	Confident	12 Å²	12	79.2 Å²	79.2	8%	0.081	42%	0.419	C	S	.	.	H	α-helix	trans	-92.8	-29.1	174.8	-76.4	0	0	0	0	112.1	C103 D104 C115	C103-C106 CarbonylContact O-C 3.51Å; C103-C106 WeakPolarHBondContact O-CA 3.25Å; C103-C106 WeakPolarHBondContact O-CB 3.47Å; C103-C106 PolarHBondContact O-N 3.26Å; C103-C106 PolarHBondContact SG-N 3.43Å; C103-C106 VanDerWaalsContact SG-N 3.45Å; C103-C106 PolarHBondContact SG-SG 3.31Å; D104-C106 PolarHBondContact O-N 2.85Å; C106-C115 VanDerWaalsContact SG-CB 3.55Å; C106-C115 PolarHBondContact SG-SG 3.28Å
107	T	80.9	Confident	79.3	Confident	87 Å²	87	78 Å²	78	53%	0.534	42%	0.42	S	S	.	.	H	α-helix	trans	-92.1	-11.3	-179.3	58.8	0	0	0	0	112.9	C103 D104	C103-T107 PolarHBondContact O-N 2.93Å; C103-T107 PolarHBondContact O-OG1 3.31Å; D104-T107 WeakPolarHBondContact CA-OG1 3.39Å; D104-T107 PolarHBondContact O-N 2.89Å; D104-T107 PolarHBondContact O-OG1 3.36Å
108	A	78.8	Confident	79.7	Confident	37 Å²	37	75.5 Å²	75.5	31%	0.306	40%	0.397	S	S	.	.			trans	-66.5	138	178.3	0	0	0	0	0	112.3	D104 P110 R111	D104-A108 VanDerWaalsContact O-CB 3.23Å; D104-A108 WeakPolarHBondContact O-CB 3.29Å; D104-A108 PolarHBondContact O-N 2.82Å; A108-P110 CarbonylContact O-C 3.28Å; A108-R111 WeakPolarHBondContact O-CA 3.31Å; A108-R111 PolarHBondContact O-N 2.92Å
109	V	79	Confident	80	Confident	143 Å²	143	72.9 Å²	72.9	87%	0.867	39%	0.389	S	S	*	.	S	Bend	trans	-129.9	119.5	176.2	-175	0	0	0	0	109.1
110	P	68.4	Low	79.9	Confident	107 Å²	107	70.8 Å²	70.8	70%	0.695	38%	0.377	S	S	*	.	S	Bend	cis	-70.1	151.2	-7.2	31.5	-34.3	0	0	0	111.3	A108 T112	A108-P110 CarbonylContact O-C 3.28Å; P110-T112 PolarHBondContact O-N 2.95Å
111	R	72.1	Confident	79.4	Confident	63 Å²	63	72.3 Å²	72.3	24%	0.238	39%	0.385	C	S	.	.			trans	-76.3	107.3	-179.8	-174.7	168	171.4	-163.4	-10.1	110.1	T78 D99 M105 A108 H113	T78-R111 HydrophobicContact CG2-CG 4.48Å; D99-R111 IonicContact OD1-NH2 2.87Å; D99-R111 PolarHBondContact OD1-NH2 3.11Å; D99-R111 IonicContact OD2-CZ 3.54Å; D99-R111 IonicContact OD2-NH1 3.13Å; D99-R111 PolarHBondContact OD2-NH1 3.41Å; D99-R111 IonicContact OD2-NH2 3.65Å; D99-R111 PolarHBondContact OD2-NH2 3.31Å; M105-R111 WeakPolarHBondContact O-CG 3.27Å; M105-R111 PolarHBondContact O-NE 3.16Å; A108-R111 WeakPolarHBondContact O-CA 3.31Å; A108-R111 PolarHBondContact O-N 2.92Å; R111-H113 PolarHBondContact NE-O 3.47Å
112	T	79.2	Confident	78.9	Confident	86 Å²	86	74 Å²	74	53%	0.528	38%	0.382	S	S	.	.			trans	-98.2	-9.7	-177.4	54.3	0	0	0	0	114.3	P110	P110-T112 PolarHBondContact O-N 2.95Å
113	H	80.4	Confident	78.4	Confident	102 Å²	102	65.4 Å²	65.4	47%	0.472	36%	0.358	S	S	.	.	S	Bend	trans	-137.6	156.1	-173.2	-63.1	-65.8	0	0	0	113.7	M105 R111	M105-H113 HydrophobicContact CB-CB 4.38Å; M105-H113 HydrophobicContact CG-CB 4.3Å; M105-H113 HydrophobicContact SD-CB 3.28Å; M105-H113 WeakPolarHBondContact SD-CB 3.16Å; M105-H113 VanDerWaalsContact SD-CD2 3.54Å; R111-H113 PolarHBondContact NE-O 3.47Å
114	V	83.3	Confident	77.3	Confident	24 Å²	24	71.5 Å²	71.5	15%	0.145	39%	0.387	C	S	.	.			trans	-64.7	150.1	168.6	-108.1	0	0	0	0	110.3	V85 M105 R116	V85-V114 HydrophobicContact CG2-CG2 3.84Å; M105-V114 WeakPolarHBondContact CB-O 3.35Å; V114-R116 PolarHBondContact O-N 3.28Å
115	C	84.1	Confident	75.4	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.4	C	S	.	.			trans	-50.6	136.5	178.3	179	0	0	0	0	111	D99 C100 C106 L117 R118 V119	D99-C115 HydrophobicContact CB-CB 4.13Å; C100-C115 PolarHBondContact N-SG 3.39Å; C100-C115 PolarHBondContact SG-SG 3.29Å; C106-C115 VanDerWaalsContact SG-CB 3.55Å; C106-C115 PolarHBondContact SG-SG 3.28Å; C115-L117 PolarHBondContact O-N 3.05Å; C115-R118 HydrophobicContact CB-CB 4.2Å; C115-R118 HydrophobicContact CB-CG 4.14Å; C115-R118 CarbonylContact O-C 3.6Å; C115-R118 WeakPolarHBondContact O-CA 3.4Å; C115-R118 PolarHBondContact O-N 2.74Å; C115-V119 PolarHBondContact O-N 2.96Å
116	R	82.4	Confident	73.1	Confident	158 Å²	158	75.7 Å²	75.7	60%	0.596	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-49.1	-39.5	177.1	-79.7	-166.2	179.2	-162.9	0.3	112.4	C103 D104 M105 V114 R118 V119	C103-R116 HydrophobicContact CB-CB 4.2Å; C103-R116 HydrophobicContact CB-CG 4.28Å; D104-R116 VanDerWaalsContact OD1-CD 3.24Å; D104-R116 WeakPolarHBondContact OD1-CD 3.5Å; D104-R116 WeakPolarHBondContact OD1-CG 3.47Å; D104-R116 IonicContact OD1-CZ 2.71Å; D104-R116 IonicContact OD1-NE 3.51Å; D104-R116 PolarHBondContact OD1-NE 3.27Å; D104-R116 IonicContact OD1-NH2 2.67Å; D104-R116 IonicContact OD2-CZ 2.64Å; D104-R116 IonicContact OD2-NE 3.85Å; D104-R116 PolarHBondContact OD2-NE 3.35Å; D104-R116 IonicContact OD2-NH2 3.11Å; D104-R116 PolarHBondContact OD2-NH2 2.74Å; M105-R116 HydrophobicContact CB-CG 4.48Å; M105-R116 HydrophobicContact CG-CG 3.7Å; V114-R116 PolarHBondContact O-N 3.28Å; R116-R118 PolarHBondContact O-N 2.93Å; R116-V119 PolarHBondContact O-N 2.95Å
117	L	81.7	Confident	70.7	Confident	75 Å²	75	81 Å²	81	39%	0.393	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-73.1	-10.2	-179	-68.1	-163.2	0	0	0	114.1	R96 C100 C115	R96-L117 WeakPolarHBondContact CD-O 3.49Å; R96-L117 VanDerWaalsContact NH1-CB 3.26Å; R96-L117 PolarHBondContact NH1-O 3.36Å; C100-L117 HydrophobicContact CB-CD1 3.79Å; C100-L117 HydrophobicContact CB-CG 4.43Å; C115-L117 PolarHBondContact O-N 3.05Å
118	R	85.2	Confident	68.3	Low	69 Å²	69	81.4 Å²	81.4	26%	0.26	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-113.4	1.6	178.6	-64.9	-175	71.6	-157.8	-1.6	114	G93 R96 E98 D99 C115 R116 C120	G93-R118 VanDerWaalsContact O-CA 3.31Å; G93-R118 WeakPolarHBondContact O-CA 3.42Å; R96-R118 HydrophobicContact CB-CG 3.83Å; R96-R118 PolarHBondContact O-NE 3.23Å; E98-R118 WeakPolarHBondContact O-CD 3.48Å; D99-R118 WeakPolarHBondContact OD1-CD 3.41Å; D99-R118 IonicContact OD1-CZ 3.03Å; D99-R118 IonicContact OD1-NE 2.69Å; D99-R118 IonicContact OD1-NH1 3.17Å; D99-R118 PolarHBondContact OD1-NH1 2.97Å; C115-R118 HydrophobicContact CB-CB 4.2Å; C115-R118 HydrophobicContact CB-CG 4.14Å; C115-R118 CarbonylContact O-C 3.6Å; C115-R118 WeakPolarHBondContact O-CA 3.4Å; C115-R118 PolarHBondContact O-N 2.74Å; R116-R118 PolarHBondContact O-N 2.93Å; R118-C120 PolarHBondContact O-N 2.84Å
119	V	82	Confident	65.9	Low	66 Å²	66	86.6 Å²	86.6	40%	0.4	48%	0.482	S	S	.	.	S	Bend	trans	-65	127.9	171.6	179.5	0	0	0	0	108.1	C115 R116 V121	C115-V119 PolarHBondContact O-N 2.96Å; R116-V119 PolarHBondContact O-N 2.95Å; V119-V121 PolarHBondContact O-N 3.46Å
120	C	79.4	Confident	63.7	Low	2 Å²	2	89 Å²	89	1%	0.014	48%	0.484	C	S	.	.			trans	-66.1	122.1	175.4	169.7	0	0	0	0	109.4	C88 C94 R118 N122 S123	C88-C120 PolarHBondContact N-SG 2.95Å; C94-C120 VanDerWaalsContact SG-CB 3.59Å; R118-C120 PolarHBondContact O-N 2.84Å; C120-N122 PolarHBondContact O-N 2.87Å; C120-N122 VanDerWaalsContact O-N 3.13Å; C120-N122 PolarHBondContact SG-N 3.31Å; C120-N122 VanDerWaalsContact SG-N 3.44Å; C120-S123 WeakPolarHBondContact CB-OG 3.32Å; C120-S123 WeakPolarHBondContact O-CB 3.27Å; C120-S123 PolarHBondContact O-N 3.04Å; C120-S123 PolarHBondContact SG-OG 2.82Å
121	V	74.2	Confident	61.8	Low	80 Å²	80	91.6 Å²	91.6	49%	0.485	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-60.5	-25.3	179.8	-58.9	0	0	0	0	112.6	C91 V119	C91-V121 HydrophobicContact CB-CG2 3.37Å; V119-V121 PolarHBondContact O-N 3.46Å
122	N	70.9	Confident	59.7	Low	87 Å²	87	97.8 Å²	97.8	47%	0.465	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-86.4	-11.1	178.6	-66.6	-19.7	0	0	0	113.3	C88 C120 I124 K125	C88-N122 HydrophobicContact CB-CB 4.06Å; C88-N122 PolarHBondContact SG-ND2 2.85Å; C120-N122 PolarHBondContact O-N 2.87Å; C120-N122 VanDerWaalsContact O-N 3.13Å; C120-N122 PolarHBondContact SG-N 3.31Å; C120-N122 VanDerWaalsContact SG-N 3.44Å; N122-I124 PolarHBondContact O-N 3.06Å; N122-K125 PolarHBondContact O-N 3.2Å
123	S	65.8	Low	57.1	Low	50 Å²	50	102 Å²	102	35%	0.35	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-82.3	5.2	-179.6	-61.1	0	0	0	0	113.6	K86 C120 K125	K86-S123 PolarHBondContact O-OG 3.18Å; C120-S123 WeakPolarHBondContact CB-OG 3.32Å; C120-S123 WeakPolarHBondContact O-CB 3.27Å; C120-S123 PolarHBondContact O-N 3.04Å; C120-S123 PolarHBondContact SG-OG 2.82Å; S123-K125 PolarHBondContact O-N 2.73Å
124	I	56.6	Low	54.5	Low	147 Å²	147	107.4 Å²	107.4	75%	0.754	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-73.9	-10.3	167.3	-57.3	173.1	0	0	0	110.9	N122 G126	N122-I124 PolarHBondContact O-N 3.06Å; I124-G126 PolarHBondContact O-N 3.05Å; I124-G126 VanDerWaalsContact O-N 3.09Å
125	K	39.3	Very low	52	Low	133 Å²	133	114 Å²	114	58%	0.578	58%	0.583	S	S	*	*			trans	-78.2	92	172.1	-64	-172.5	179.2	-171.6	0	109.9	N122 S123	N122-K125 PolarHBondContact O-N 3.2Å; S123-K125 PolarHBondContact O-N 2.73Å
126	G	31.8	Very low	49	Very low	62 Å²	62	123.1 Å²	123.1	64%	0.639	63%	0.625	S	S	*	*			trans	-59.6	150.8	163.4	0	0	0	0	0	111	I124	I124-G126 PolarHBondContact O-N 3.05Å; I124-G126 VanDerWaalsContact O-N 3.09Å
127	P	30	Very low	46.2	Very low	122 Å²	122	119.9 Å²	119.9	79%	0.792	63%	0.633	S	S	*	*			trans	-72.9	139.9	-179.8	31.7	-32.7	0	0	0	110.6
128	S	29.8	Very low	43.5	Very low	97 Å²	97	125.5 Å²	125.5	68%	0.678	66%	0.657	S	S	*	*			trans	38	122.2	159.7	58.6	0	0	0	0	118.4
129	D	29.2	Very low	40.7	Very low	145 Å²	145	126.3 Å²	126.3	78%	0.775	67%	0.673	S	S	*	*				-155.2	103.1	130	-83.7	-34.4	0	0	0	109.3	E131	D129-E131 PolarHBondContact O-N 3.45Å
130	Q	31.9	Very low	38	Very low	195 Å²	195	129 Å²	129	91%	0.911	70%	0.695	S	S	*	*			trans	-69.2	69.6	153.1	-74	178.1	-48.2	0	0	107.7
131	E	28.3	Very low	35.5	Very low	160 Å²	160	134.3 Å²	134.3	75%	0.748	73%	0.727	S	S	*	*			trans	-175.1	85.2	170.9	-111.3	160.8	-169.2	0	0	109.6	D129	D129-E131 PolarHBondContact O-N 3.45Å
132	Q	29.4	Very low	33.1	Very low	193 Å²	193	137 Å²	137	90%	0.902	74%	0.744	S	S	*	*			trans	175.5	58.3	147.7	-93.2	159.2	25.7	0	0	108.1
133	Q	23.6	Very low	31.1	Very low	174 Å²	174	138.6 Å²	138.6	81%	0.813	76%	0.76	S	S	*	*			trans	-82	139.6	141	-75.3	176.1	-7	0	0	106
134	R	27	Very low	29.1	Very low	217 Å²	217	143.2 Å²	143.2	82%	0.819	78%	0.781	S	S	*	*			trans	83.5	103.3	-168.7	-52.1	173.5	-78.8	-122.3	5.5	109.4
135	D	29.8	Very low	27.5	Very low	162 Å²	162	145.1 Å²	145.1	87%	0.866	79%	0.787	S	S	*	*			cis	-136.3	118	45.5	-61.7	-48.9	0	0	0	112.3
136	E	20.4	Very low	26.9	Very low	191 Å²	191	148.4 Å²	148.4	89%	0.893	80%	0.801	S	S	*	*			trans	-84.5	157.8	150.7	-71.4	-161.8	153.8	0	0	108.6
137	A	24	Very low	26.6	Very low	91 Å²	91	151.2 Å²	151.2	75%	0.752	81%	0.806	S	S	*	*			trans	84.8	95.6	167.1	0	0	0	0	0	115.4
138	E	24.6	Very low	26.6	Very low	192 Å²	192	152.1 Å²	152.1	90%	0.897	81%	0.809	S	S	*	*				165.5	158.2	95.7	-88.3	-175.6	174.4	0	0	111.5
139	S	27.5	Very low	26.7	Very low	87 Å²	87	150.9 Å²	150.9	61%	0.608	81%	0.812	S	S	*	*			trans	86.4	67.5	172.5	-152.8	0	0	0	0	116.6	T141	S139-T141 PolarHBondContact O-N 2.78Å; S139-T141 PolarHBondContact OG-OG1 3.19Å
140	S	24.7	Very low	27.1	Very low	123 Å²	123	154 Å²	154	86%	0.86	82%	0.822	S	S	*	*				-39.8	107.7	123.1	46.2	0	0	0	0	112.1
141	T	27.1	Very low	27.8	Very low	112 Å²	112	148.6 Å²	148.6	69%	0.687	81%	0.811	S	S	*	*			trans	-137.7	115.2	154	27.3	0	0	0	0	109.4	S139	S139-T141 PolarHBondContact O-N 2.78Å; S139-T141 PolarHBondContact OG-OG1 3.19Å
142	V	23.5	Very low	28.9	Very low	137 Å²	137	149.5 Å²	149.5	83%	0.83	82%	0.815	S	S	*	*			trans	-57.6	131.2	162.1	176	0	0	0	0	107.2
143	C	28.7	Very low	30	Very low	120 Å²	120	146.6 Å²	146.6	81%	0.811	80%	0.796	S	S	*	*			trans	-139.1	136.5	164.4	53.1	0	0	0	0	110.8
144	D	24.1	Very low	31.9	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	77%	0.768	S	S	*	*			trans	-72.4	157.4	-157.1	-71.7	-73.8	0	0	0	115.2	K146	D144-K146 PolarHBondContact O-N 2.9Å
145	E	23.9	Very low	33.2	Very low	188 Å²	188	134.7 Å²	134.7	88%	0.879	76%	0.756	S	S	*	*			trans	-47.2	119.9	155.7	-62.8	178	128.4	0	0	111.1
146	K	25.2	Very low	34.3	Very low	202 Å²	202	135.7 Å²	135.7	88%	0.878	76%	0.756	S	S	*	*			trans	-153	119.9	146.3	-110.1	164.5	-166.8	176.4	0	111.6	D144	D144-K146 PolarHBondContact O-N 2.9Å
147	T	26.3	Very low	35.9	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	72%	0.724	S	S	*	*			trans	-32.9	158.2	165.5	39.2	0	0	0	0	119.4
148	T	29.5	Very low	37.5	Very low	140 Å²	140	130.9 Å²	130.9	86%	0.859	72%	0.724	S	S	*	*			trans	76.1	90.1	147.3	54.6	0	0	0	0	118.4
149	G	33.3	Very low	38.6	Very low	72 Å²	72	122.7 Å²	122.7	74%	0.742	69%	0.691	S	S	*	*			trans	-146.8	111.9	146.5	0	0	0	0	0	108	A151	G149-A151 VanDerWaalsContact C-N 3.3Å; G149-A151 PolarHBondContact O-N 3.06Å
150	E	36.3	Very low	40	Very low	209 Å²	209	119.2 Å²	119.2	98%	0.977	67%	0.667	S	S	*	*			trans	-67.6	85.8	177.1	-69.3	174.4	150.9	0	0	109.5
151	A	46.7	Very low	41.7	Very low	82 Å²	82	121.3 Å²	121.3	68%	0.678	66%	0.661	S	S	*	*			trans	-83	131.6	169.4	0	0	0	0	0	109.8	G149 R153	G149-A151 VanDerWaalsContact C-N 3.3Å; G149-A151 PolarHBondContact O-N 3.06Å; A151-R153 PolarHBondContact O-N 3.35Å
152	E	52.4	Low	42.8	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	66%	0.657	S	S	*	*			trans	-57.2	115.7	-177.1	-66.2	179.4	154.5	0	0	111.6
153	R	52.2	Low	44.3	Very low	132 Å²	132	121.1 Å²	121.1	50%	0.498	66%	0.656	S	S	.	*			trans	-75.7	141	-178.1	-59.6	173.5	87.9	127.6	2.1	110.6	A151 N155 Q162	A151-R153 PolarHBondContact O-N 3.35Å; R153-N155 PolarHBondContact O-N 2.94Å; R153-Q162 PolarHBondContact NH2-O 3.01Å; R153-Q162 VanDerWaalsContact NH2-O 3.1Å
154	C	63.1	Low	45.7	Very low	33 Å²	33	123.7 Å²	123.7	22%	0.223	65%	0.653	C	S	.	*			trans	-78.7	-12.7	-174.1	83.3	0	0	0	0	115.7	E156 C160 I171	C154-E156 PolarHBondContact O-N 3.14Å; C154-C160 PolarHBondContact SG-SG 3.43Å; C154-I171 HydrophobicContact CB-CD1 3.45Å; C154-I171 VanDerWaalsContact CB-CD1 3.45Å
155	N	53.4	Low	47.4	Very low	108 Å²	108	122.8 Å²	122.8	58%	0.578	65%	0.648	S	S	*	*	S	Bend	trans	51.5	4.1	173.4	-63.4	-19	0	0	0	119.1	R153	R153-N155 PolarHBondContact O-N 2.94Å
156	E	53.1	Low	49.7	Very low	183 Å²	183	115.6 Å²	115.6	86%	0.855	62%	0.618	S	S	*	*	S	Bend	trans	-115.2	-12.8	-178.3	-69	-179.8	171.9	0	0	113.8	C154	C154-E156 PolarHBondContact O-N 3.14Å
157	C	53.5	Low	51.5	Low	33 Å²	33	108.3 Å²	108.3	22%	0.223	60%	0.601	C	S	.	*	S	Bend	trans	-97.1	148.3	180	85.6	0	0	0	0	112.7	G159 C160 F161	C157-G159 PolarHBondContact O-N 3.45Å; C157-G159 VanDerWaalsContact O-N 3.07Å; C157-C160 PolarHBondContact O-N 2.8Å; C157-C160 PolarHBondContact SG-N 3.21Å; C157-C160 VanDerWaalsContact SG-N 3.42Å; C157-C160 PolarHBondContact SG-SG 3.38Å; C157-F161 WeakPolarHBondContact O-CD2 3.44Å
158	I	57.6	Low	53	Low	148 Å²	148	113 Å²	113	76%	0.759	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-53.6	-33.2	-179.9	-62.4	172.3	0	0	0	111.9
159	G	47.9	Very low	54.6	Low	20 Å²	20	107.5 Å²	107.5	21%	0.206	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-75.5	-25	179.1	0	0	0	0	0	114.9	C157 F161 Q162	C157-G159 PolarHBondContact O-N 3.45Å; C157-G159 VanDerWaalsContact O-N 3.07Å; G159-F161 VanDerWaalsContact C-N 3.27Å; G159-F161 PolarHBondContact O-N 3.22Å; G159-Q162 PolarHBondContact O-N 3.19Å; G159-Q162 VanDerWaalsContact O-N 3.1Å
160	C	57.5	Low	55.7	Low	14 Å²	14	111.3 Å²	111.3	10%	0.095	58%	0.575	C	S	.	*	G	3₁₀ helix	trans	-75.2	-15.6	178.3	-78.6	0	0	0	0	113.5	C154 C157 Q162	C154-C160 PolarHBondContact SG-SG 3.43Å; C157-C160 PolarHBondContact O-N 2.8Å; C157-C160 PolarHBondContact SG-N 3.21Å; C157-C160 VanDerWaalsContact SG-N 3.42Å; C157-C160 PolarHBondContact SG-SG 3.38Å; C160-Q162 PolarHBondContact O-N 3.04Å
161	F	60.2	Low	56.8	Low	167 Å²	167	106.2 Å²	106.2	73%	0.732	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-78.3	-0.8	168.5	-66.4	-79	0	0	0	113	C157 G159	C157-F161 WeakPolarHBondContact O-CD2 3.44Å; G159-F161 VanDerWaalsContact C-N 3.27Å; G159-F161 PolarHBondContact O-N 3.22Å
162	Q	51.2	Low	57.6	Low	129 Å²	129	104.4 Å²	104.4	60%	0.603	54%	0.536	S	S	*	.	S	Bend	trans	-108.8	157	173.2	-60.9	-175.9	4.9	0	0	110.3	R153 G159 C160 K164	R153-Q162 PolarHBondContact NH2-O 3.01Å; R153-Q162 VanDerWaalsContact NH2-O 3.1Å; G159-Q162 PolarHBondContact O-N 3.19Å; G159-Q162 VanDerWaalsContact O-N 3.1Å; C160-Q162 PolarHBondContact O-N 3.04Å; Q162-K164 PolarHBondContact O-N 3.41Å; Q162-K164 VanDerWaalsContact O-N 3.16Å
163	S	55.3	Low	58.1	Low	116 Å²	116	99.8 Å²	99.8	81%	0.811	52%	0.519	S	S	*	.	S	Bend	trans	-70.7	-5	-173	50.3	0	0	0	0	114.8
164	K	56.8	Low	58.7	Low	173 Å²	173	96.7 Å²	96.7	75%	0.752	52%	0.523	S	S	*	.	S	Bend	trans	-124.8	147	179.8	-63.5	-174.1	178.9	-174.9	0	111.1	Q162	Q162-K164 PolarHBondContact O-N 3.41Å; Q162-K164 VanDerWaalsContact O-N 3.16Å
165	D	60.3	Low	58.1	Low	128 Å²	128	101.4 Å²	101.4	68%	0.684	55%	0.55	S	S	*	.			trans	-60.6	140.1	-178	-62.3	-41.7	0	0	0	112.4	G167	D165-G167 VanDerWaalsContact C-N 3.31Å; D165-G167 PolarHBondContact O-N 3.21Å
166	C	71	Confident	57.5	Low	37 Å²	37	101.8 Å²	101.8	25%	0.25	56%	0.558	C	S	.	*			trans	-78.8	-14.7	-171.8	75.8	0	0	0	0	114.1	R168	C166-R168 PolarHBondContact O-N 2.85Å
167	G	63.2	Low	56.5	Low	49 Å²	49	102.5 Å²	102.5	51%	0.505	56%	0.559	S	S	.	*	S	Bend	trans	59	14	177.7	0	0	0	0	0	116	D165	D165-G167 VanDerWaalsContact C-N 3.31Å; D165-G167 PolarHBondContact O-N 3.21Å
168	R	59.2	Low	55.4	Low	221 Å²	221	107.1 Å²	107.1	83%	0.834	59%	0.588	S	S	*	*			trans	-132.7	-7.1	-172.5	-70.9	-176.6	-177.4	147.9	2	115.3	C166	C166-R168 PolarHBondContact O-N 2.85Å
169	C	62.4	Low	54.3	Low	24 Å²	24	105.7 Å²	105.7	16%	0.162	59%	0.591	C	S	.	*	S	Bend	trans	-97.5	157	176.5	73.1	0	0	0	0	110.7	I171 C172 T173	C169-I171 PolarHBondContact O-N 2.65Å; C169-C172 PolarHBondContact O-N 3.18Å; C169-C172 PolarHBondContact SG-N 2.69Å; C169-C172 VanDerWaalsContact SG-N 3.36Å; C169-C172 PolarHBondContact SG-SG 2.74Å; C169-T173 WeakPolarHBondContact O-CB 3.19Å; C169-T173 PolarHBondContact O-N 2.86Å; C169-T173 PolarHBondContact O-OG1 3.04Å
170	D	55.6	Low	53.5	Low	152 Å²	152	109.6 Å²	109.6	81%	0.813	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-31	-176.2	-58.9	-25.4	0	0	0	113	A174	D170-A174 PolarHBondContact O-N 2.89Å
171	I	60.1	Low	52.3	Low	101 Å²	101	116.2 Å²	116.2	52%	0.518	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-46.1	177.8	-63.8	160.1	0	0	0	111.5	C154 C169 T173	C154-I171 HydrophobicContact CB-CD1 3.45Å; C154-I171 VanDerWaalsContact CB-CD1 3.45Å; C169-I171 PolarHBondContact O-N 2.65Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 2.96Å
172	C	64.1	Low	50.7	Low	45 Å²	45	115.8 Å²	115.8	30%	0.304	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	-17.4	178.8	-66.2	0	0	0	0	113.6	C169	C169-C172 PolarHBondContact O-N 3.18Å; C169-C172 PolarHBondContact SG-N 2.69Å; C169-C172 VanDerWaalsContact SG-N 3.36Å; C169-C172 PolarHBondContact SG-SG 2.74Å
173	T	62.8	Low	49.4	Very low	82 Å²	82	117.5 Å²	117.5	50%	0.503	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	-4.8	-179.7	-29.8	0	0	0	0	112	C169 I171 V175	C169-T173 WeakPolarHBondContact O-CB 3.19Å; C169-T173 PolarHBondContact O-N 2.86Å; C169-T173 PolarHBondContact O-OG1 3.04Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 2.96Å; T173-V175 PolarHBondContact O-N 3.07Å
174	A	65.2	Low	48.2	Very low	68 Å²	68	116.8 Å²	116.8	56%	0.562	66%	0.66	S	S	*	*			trans	-70.4	99.4	175.6	0	0	0	0	0	109.9	D170 P176	D170-A174 PolarHBondContact O-N 2.89Å; A174-P176 WeakPolarHBondContact O-CD 3.36Å
175	V	50.4	Low	46.7	Very low	131 Å²	131	117.5 Å²	117.5	79%	0.794	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-65.7	120.8	168.9	-179.8	0	0	0	0	108	T173 K177	T173-V175 PolarHBondContact O-N 3.07Å; V175-K177 PolarHBondContact O-N 2.94Å
176	P	40.8	Very low	44.8	Very low	116 Å²	116	115.8 Å²	115.8	75%	0.753	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.5	123.7	178.9	-18.4	30	0	0	0	110.2	A174	A174-P176 WeakPolarHBondContact O-CD 3.36Å
177	K	31.9	Very low	42.6	Very low	199 Å²	199	125.7 Å²	125.7	87%	0.865	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-70.1	132	171.7	-78.6	-177.8	177.1	178	0	109.4	V175 S179	V175-K177 PolarHBondContact O-N 2.94Å; K177-S179 PolarHBondContact O-N 3.09Å
178	P	30.3	Very low	41.5	Very low	129 Å²	129	128.8 Å²	128.8	84%	0.838	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-73.4	119.4	-179.1	27.9	-31.4	0	0	0	110.3
179	S	33.4	Very low	40	Very low	119 Å²	119	128.3 Å²	128.3	83%	0.832	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-77.4	120.1	163.2	54.7	0	0	0	0	109	K177	K177-S179 PolarHBondContact O-N 3.09Å
180	S	32.6	Very low	37.9	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.2	150.2	176	42.6	0	0	0	0	114.5
181	Q	31.3	Very low	36.4	Very low	152 Å²	152	135.9 Å²	135.9	71%	0.71	74%	0.744	S	S	*	*			trans	92.2	104.3	152.7	-71.8	179	-60.7	0	0	120.6
182	E	27.7	Very low	34.6	Very low	158 Å²	158	142.1 Å²	142.1	74%	0.738	76%	0.762	S	S	*	*				90.3	94.7	121.4	-71.3	168.6	-161.2	0	0	119
183	N	23.8	Very low	32.5	Very low	165 Å²	165	147.2 Å²	147.2	88%	0.882	78%	0.784	S	S	*	*				18.1	120.1	117.4	-82.6	-13.6	0	0	0	117
184	A	29.7	Very low	30.7	Very low	102 Å²	102	148.3 Å²	148.3	84%	0.843	80%	0.802	S	S	*	*				-179.1	151	107.8	0	0	0	0	0	111.6
185	Q	25	Very low	28.8	Very low	188 Å²	188	156 Å²	156	88%	0.879	82%	0.816	S	S	*	*			trans	-67.5	145	-174	-69.4	146.2	-23.6	0	0	114.3
186	A	21.2	Very low	27.7	Very low	92 Å²	92	160 Å²	160	76%	0.76	82%	0.823	S	S	*	*				36.3	134.1	130	0	0	0	0	0	121.9
187	R	23.1	Very low	27	Very low	244 Å²	244	165.9 Å²	165.9	92%	0.921	83%	0.83	S	S	*	*			trans	103	146.3	148.9	-74.6	-174.7	177.4	-111.3	0.9	119
188	P	41.5	Very low	26.6	Very low	115 Å²	115	164.7 Å²	164.7	75%	0.747	83%	0.825	S	S	*	*			trans	-107.4	150.4	-150.6	38.3	-27.8	0	0	0	112.8
189	K	27	Very low	26.6	Very low	210 Å²	210	170.5 Å²	170.5	91%	0.913	83%	0.83	S	S	*	*			trans	-143.5	131.1	157.9	-73.7	-170.1	178.8	174.7	0	111.1
190	E	17.9	Very low	26.1	Very low	172 Å²	172	169.1 Å²	169.1	80%	0.804	81%	0.813	S	S	*	*			trans	-51.3	144.6	167.6	-55.8	157.4	152.1	0	0	111.8
191	H	24.1	Very low	25.8	Very low	163 Å²	163	172.8 Å²	172.8	76%	0.755	82%	0.819	S	S	*	*				179	135.4	117.3	-102.3	52.1	0	0	0	113.5
192	R	22.4	Very low	25.7	Very low	233 Å²	233	174.9 Å²	174.9	88%	0.879	83%	0.829	S	S	*	*			trans	72.5	105.1	149.2	-92.5	-178.7	167.1	-179.2	-3.6	121.9
193	I	19.8	Very low	25.8	Very low	152 Å²	152	179.2 Å²	179.2	78%	0.779	84%	0.838	S	S	*	*			trans	-26.6	131.1	145.2	-58.4	162.2	0	0	0	115.2	R195	I193-R195 HydrophobicContact CG2-CG 4.25Å
194	A	25	Very low	25.8	Very low	105 Å²	105	180.8 Å²	180.8	87%	0.868	84%	0.843	S	S	*	*			trans	-138.9	93.4	143.6	0	0	0	0	0	109.5	K196	A194-K196 PolarHBondContact O-N 3.28Å
195	R	25.1	Very low	25.8	Very low	229 Å²	229	180.4 Å²	180.4	86%	0.864	84%	0.84	S	S	*	*			trans	-73.1	111.8	170.2	-81.7	175.8	158.7	-177.3	-6.3	109.1	I193 R197	I193-R195 HydrophobicContact CG2-CG 4.25Å; R195-R197 PolarHBondContact O-N 3.16Å
196	K	27.3	Very low	26.2	Very low	216 Å²	216	183.4 Å²	183.4	94%	0.939	84%	0.843	S	S	*	*			trans	-71.8	112	169.3	-110.6	175.7	176.6	175.1	0	109.1	A194	A194-K196 PolarHBondContact O-N 3.28Å
197	R	27.3	Very low	26.5	Very low	238 Å²	238	184 Å²	184	90%	0.898	84%	0.842	S	S	*	*			trans	-77.9	148.9	175.3	-80.9	179.1	158.9	-178.2	-5.4	111.6	R195	R195-R197 PolarHBondContact O-N 3.16Å
198	K	23	Very low	26.7	Very low	175 Å²	175	179.8 Å²	179.8	76%	0.761	84%	0.836	S	S	*	*			trans	-15.8	129	160.1	-78.8	-179.3	168.4	-141.4	0	115.8	D200	K198-D200 WeakPolarHBondContact CD-OD2 3.49Å; K198-D200 WeakPolarHBondContact CE-OD2 3.47Å; K198-D200 WeakPolarHBondContact CG-OD2 3.42Å; K198-D200 IonicContact NZ-OD2 3.42Å; K198-D200 PolarHBondContact NZ-OD2 3.34Å
199	R	29.7	Very low	26.3	Very low	251 Å²	251	182.2 Å²	182.2	95%	0.947	84%	0.842	S	S	*	*			trans	-116.8	74.5	143.4	-166	176.6	-177.7	-179.5	0.6	106.6
200	D	24	Very low	26.4	Very low	89 Å²	89	181.7 Å²	181.7	48%	0.476	84%	0.835	S	S	.	*			trans	-76.6	156.4	162.6	-81.5	-29.5	0	0	0	108.9	K198	K198-D200 WeakPolarHBondContact CD-OD2 3.49Å; K198-D200 WeakPolarHBondContact CE-OD2 3.47Å; K198-D200 WeakPolarHBondContact CG-OD2 3.42Å; K198-D200 IonicContact NZ-OD2 3.42Å; K198-D200 PolarHBondContact NZ-OD2 3.34Å
201	E	26.4	Very low	26.5	Very low	179 Å²	179	180.5 Å²	180.5	84%	0.836	83%	0.829	S	S	*	*			trans	70.5	74.2	153.9	-70.1	164.7	178.3	0	0	118.1
202	Q	28	Very low	26.8	Very low	196 Å²	196	178.3 Å²	178.3	92%	0.916	83%	0.832	S	S	*	*	S	Bend	trans	-163.8	61.3	141.6	-113.1	165.5	6.4	0	0	112.4
203	R	29.7	Very low	26.9	Very low	249 Å²	249	176.2 Å²	176.2	94%	0.94	83%	0.832	S	S	*	*	S	Bend	trans	-159.4	6	152.5	-129.8	173.3	-175.4	167.4	1.1	116.8	A205	R203-A205 PolarHBondContact O-N 3.4Å
204	M	25.3	Very low	27.3	Very low	199 Å²	199	176.5 Å²	176.5	98%	0.98	84%	0.835	S	S	*	*			trans	-94	77.2	169.2	-81.7	-93.8	-174.9	0	0	109.7
205	A	28.3	Very low	27.6	Very low	93 Å²	93	178 Å²	178	77%	0.769	83%	0.833	S	S	*	*			trans	-160.5	60	162.6	0	0	0	0	0	110.1	R203	R203-A205 PolarHBondContact O-N 3.4Å
206	R	34.8	Very low	27.8	Very low	251 Å²	251	174.5 Å²	174.5	95%	0.947	83%	0.83	S	S	*	*			trans	-147.5	77.2	148.7	-104.7	176.1	-172.5	159.5	2	107.2
207	S	26.9	Very low	27.8	Very low	105 Å²	105	169.2 Å²	169.2	73%	0.734	82%	0.82	S	S	*	*			trans	-66.2	154.5	159.2	-160.3	0	0	0	0	109
208	L	27.9	Very low	28.2	Very low	155 Å²	155	163.2 Å²	163.2	81%	0.812	82%	0.815	S	S	*	*			trans	83.1	96.5	168.1	-46.3	179.1	0	0	0	116.1
209	L	33.1	Very low	28.6	Very low	167 Å²	167	162.3 Å²	162.3	87%	0.874	82%	0.818	S	S	*	*				-170.8	113.7	119	-91.7	168.8	0	0	0	110.5
210	R	27.9	Very low	29.2	Very low	199 Å²	199	155.6 Å²	155.6	75%	0.751	81%	0.807	S	S	*	*			trans	37.9	125.5	150.3	-78.8	178	123.3	164	-0.4	122.2
211	E	21.9	Very low	29.5	Very low	147 Å²	147	156.1 Å²	156.1	69%	0.687	82%	0.824	S	S	*	*			trans	59.5	114.3	132.9	-60.5	162.9	-156	0	0	115.4
212	S	28.8	Very low	29.6	Very low	116 Å²	116	155.6 Å²	155.6	81%	0.811	83%	0.826	S	S	*	*				-172.5	159.4	64.5	-42.6	0	0	0	0	110.3
213	E	25.1	Very low	29.6	Very low	190 Å²	190	152.3 Å²	152.3	89%	0.888	82%	0.822	S	S	*	*			trans	-65.8	127.3	-173.3	-58.1	164.4	146.3	0	0	113.9
214	D	29	Very low	29.9	Very low	157 Å²	157	147 Å²	147	84%	0.84	82%	0.817	S	S	*	*			trans	-131.6	103	167.8	-96.4	-35.6	0	0	0	112
215	V	30.3	Very low	30.4	Very low	136 Å²	136	141.2 Å²	141.2	82%	0.824	80%	0.797	S	S	*	*			trans	26	127.3	134.6	-169.6	0	0	0	0	120.1
216	I	28.9	Very low	30.7	Very low	156 Å²	156	145.6 Å²	145.6	80%	0.8	80%	0.799	S	S	*	*			trans	-62.9	130.7	177.5	-67.2	166.3	0	0	0	113
217	S	28.5	Very low	30.8	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	79%	0.787	S	S	*	*			trans	-70.8	140.2	168.8	-173.7	0	0	0	0	112
218	S	34.1	Very low	31.7	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	78%	0.78	S	S	*	*			trans	-139.4	133.1	165	-60	0	0	0	0	109.8
219	D	33.2	Very low	32.4	Very low	156 Å²	156	139 Å²	139	83%	0.834	78%	0.776	S	S	*	*			trans	-72.2	170.2	-155.9	-94	-45.5	0	0	0	118.8
220	P	40.7	Very low	32.9	Very low	111 Å²	111	134.1 Å²	134.1	72%	0.721	76%	0.76	S	S	*	*			trans	-101.7	151.9	-177.8	38.9	-30.4	0	0	0	113.9
221	A	31.4	Very low	33.5	Very low	100 Å²	100	126.9 Å²	126.9	83%	0.826	75%	0.746	S	S	*	*			trans	153.7	101.1	140.7	0	0	0	0	0	112
222	L	27.4	Very low	35.3	Very low	167 Å²	167	122.4 Å²	122.4	87%	0.874	73%	0.732	S	S	*	*			trans	-133.4	122.8	160.2	-99.7	151.4	0	0	0	108.1	T224	L222-T224 PolarHBondContact O-N 3.06Å
223	P	29.4	Very low	37.1	Very low	128 Å²	128	125.2 Å²	125.2	83%	0.831	72%	0.724	S	S	*	*			trans	-81.3	111.2	-171.5	-2.3	20.1	0	0	0	111
224	T	36.1	Very low	39.1	Very low	137 Å²	137	123.7 Å²	123.7	84%	0.84	72%	0.715	S	S	*	*			trans	-77	121.7	169.1	43.1	0	0	0	0	110.6	L222 F226	L222-T224 PolarHBondContact O-N 3.06Å; T224-F226 PolarHBondContact O-N 3.33Å
225	S	35.7	Very low	41	Very low	78 Å²	78	123 Å²	123	55%	0.545	70%	0.701	S	S	.	*			trans	-41.4	120.7	-179.9	61.6	0	0	0	0	114.4	A227 T228	S225-A227 PolarHBondContact O-N 2.85Å; S225-T228 PolarHBondContact O-OG1 3.41Å
226	F	33.5	Very low	42.9	Very low	185 Å²	185	120.1 Å²	120.1	81%	0.811	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-23.9	179.4	-173.1	-101.6	0	0	0	113.9	T224 T228 R229	T224-F226 PolarHBondContact O-N 3.33Å; F226-T228 PolarHBondContact O-N 3.36Å; F226-R229 PolarHBondContact O-N 3.01Å
227	A	38.1	Very low	45.1	Very low	85 Å²	85	118 Å²	118	70%	0.702	67%	0.667	S	S	*	*	H	α-helix	trans	-68.4	-33.4	-172.5	0	0	0	0	0	114.7	S225 R229	S225-A227 PolarHBondContact O-N 2.85Å; A227-R229 VanDerWaalsContact C-N 3.32Å; A227-R229 PolarHBondContact O-N 3.45Å
228	T	45.1	Very low	47.5	Very low	97 Å²	97	119 Å²	119	60%	0.595	66%	0.659	S	S	*	*	H	α-helix	trans	-73.7	-24.2	179.7	45.2	0	0	0	0	112.7	S225 F226 S232	S225-T228 PolarHBondContact O-OG1 3.41Å; F226-T228 PolarHBondContact O-N 3.36Å; T228-S232 WeakPolarHBondContact O-CB 3.21Å; T228-S232 PolarHBondContact O-N 2.92Å; T228-S232 PolarHBondContact O-OG 3.35Å
229	R	43	Very low	49.6	Very low	191 Å²	191	115.5 Å²	115.5	72%	0.721	63%	0.63	S	S	*	*	H	α-helix	trans	-73	-33.9	-174.5	-160.3	173.3	-166.4	173.5	4.4	113.5	F226 A227 S232 R233	F226-R229 PolarHBondContact O-N 3.01Å; A227-R229 VanDerWaalsContact C-N 3.32Å; A227-R229 PolarHBondContact O-N 3.45Å; R229-S232 WeakPolarHBondContact CA-OG 3.46Å; R229-S232 PolarHBondContact O-OG 3Å; R229-R233 WeakPolarHBondContact O-CB 3.33Å; R229-R233 PolarHBondContact O-N 2.88Å; R229-R233 VanDerWaalsContact O-N 3.08Å
230	A	43.2	Very low	51.8	Low	64 Å²	64	112.7 Å²	112.7	53%	0.529	61%	0.611	S	S	.	*	H	α-helix	trans	-70.9	-42.9	178.5	0	0	0	0	0	111.7	R233 K234	A230-R233 PolarHBondContact O-N 3.12Å; A230-K234 PolarHBondContact O-N 3.44Å
231	G	40.9	Very low	53.4	Low	46 Å²	46	115.8 Å²	115.8	47%	0.474	62%	0.615	S	S	.	*	H	α-helix	trans	-66.3	-41.1	175.5	0	0	0	0	0	112.5	R233 K234 Y235	G231-R233 VanDerWaalsContact C-N 3.31Å; G231-R233 PolarHBondContact O-N 3.01Å; G231-K234 PolarHBondContact O-N 2.76Å; G231-Y235 WeakPolarHBondContact O-CB 3.43Å; G231-Y235 PolarHBondContact O-N 3.27Å
232	S	58.9	Low	55.4	Low	54 Å²	54	113.7 Å²	113.7	38%	0.378	60%	0.599	S	S	.	*	H	α-helix	trans	-64.7	-36.2	175.9	73.1	0	0	0	0	112	T228 R229 Y235 I236	T228-S232 WeakPolarHBondContact O-CB 3.21Å; T228-S232 PolarHBondContact O-N 2.92Å; T228-S232 PolarHBondContact O-OG 3.35Å; R229-S232 WeakPolarHBondContact CA-OG 3.46Å; R229-S232 PolarHBondContact O-OG 3Å; S232-Y235 PolarHBondContact O-N 3.45Å; S232-I236 WeakPolarHBondContact O-CB 3.39Å; S232-I236 WeakPolarHBondContact O-CD1 3.32Å; S232-I236 WeakPolarHBondContact O-CG1 3.35Å; S232-I236 PolarHBondContact O-N 2.84Å
233	R	66.3	Low	57	Low	174 Å²	174	108 Å²	108	66%	0.657	58%	0.58	S	S	*	*	H	α-helix	trans	-68.1	-45.1	179.4	-151.8	176.3	-166.1	173.9	2.6	111.8	R229 A230 G231 Y235 I236 E237	R229-R233 WeakPolarHBondContact O-CB 3.33Å; R229-R233 PolarHBondContact O-N 2.88Å; R229-R233 VanDerWaalsContact O-N 3.08Å; A230-R233 PolarHBondContact O-N 3.12Å; G231-R233 VanDerWaalsContact C-N 3.31Å; G231-R233 PolarHBondContact O-N 3.01Å; R233-Y235 VanDerWaalsContact C-N 3.35Å; R233-Y235 PolarHBondContact O-N 3.26Å; R233-I236 PolarHBondContact O-N 3.18Å; R233-E237 WeakPolarHBondContact O-CB 3.34Å; R233-E237 WeakPolarHBondContact O-CG 3.45Å; R233-E237 PolarHBondContact O-N 3.01Å
234	K	68.3	Low	59	Low	158 Å²	158	106.5 Å²	106.5	69%	0.687	57%	0.568	S	S	*	*	H	α-helix	trans	-62.4	-39.9	173.1	-81.8	-172.8	176	-177.6	0	112.5	A230 G231 E237 F238	A230-K234 PolarHBondContact O-N 3.44Å; G231-K234 PolarHBondContact O-N 2.76Å; K234-E237 PolarHBondContact O-N 3.34Å; K234-F238 VanDerWaalsContact O-CB 3.28Å; K234-F238 WeakPolarHBondContact O-CB 3.46Å; K234-F238 PolarHBondContact O-N 3.07Å
235	Y	68.4	Low	59.8	Low	143 Å²	143	103 Å²	103	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-64.6	-42.9	175.5	-179	-101.3	0	0	0	111.8	G231 S232 R233 F238 M239	G231-Y235 WeakPolarHBondContact O-CB 3.43Å; G231-Y235 PolarHBondContact O-N 3.27Å; S232-Y235 PolarHBondContact O-N 3.45Å; R233-Y235 VanDerWaalsContact C-N 3.35Å; R233-Y235 PolarHBondContact O-N 3.26Å; Y235-F238 PolarHBondContact O-N 2.94Å; Y235-M239 HydrophobicContact CD1-CG 4.18Å; Y235-M239 HydrophobicContact CD2-CG 4.45Å; Y235-M239 HydrophobicContact CE1-CE 4.35Å; Y235-M239 HydrophobicContact CE1-CG 3.84Å; Y235-M239 HydrophobicContact CE2-CG 4.13Å; Y235-M239 HydrophobicContact CE2-SD 4.35Å; Y235-M239 HydrophobicContact CG-CG 4.48Å; Y235-M239 WeakPolarHBondContact O-CB 3.34Å; Y235-M239 WeakPolarHBondContact O-CG 3.4Å; Y235-M239 PolarHBondContact O-N 3.41Å
236	I	71	Confident	60.3	Low	76 Å²	76	106.7 Å²	106.7	39%	0.39	55%	0.552	S	S	.	*	H	α-helix	trans	-65.4	-41.5	176.2	-68.7	163.7	0	0	0	111	S232 R233 M239 K240 I245	S232-I236 WeakPolarHBondContact O-CB 3.39Å; S232-I236 WeakPolarHBondContact O-CD1 3.32Å; S232-I236 WeakPolarHBondContact O-CG1 3.35Å; S232-I236 PolarHBondContact O-N 2.84Å; R233-I236 PolarHBondContact O-N 3.18Å; I236-M239 PolarHBondContact O-N 2.77Å; I236-K240 HydrophobicContact CG2-CD 4.34Å; I236-K240 WeakPolarHBondContact O-CB 3.31Å; I236-K240 VanDerWaalsContact O-CG 3.3Å; I236-K240 WeakPolarHBondContact O-CG 3.2Å; I236-K240 PolarHBondContact O-N 2.96Å; I236-I245 HydrophobicContact CG2-CD1 4.35Å
237	E	75.1	Confident	60.9	Low	110 Å²	110	103.8 Å²	103.8	51%	0.514	55%	0.545	S	S	.	.	H	α-helix	trans	-63.3	-47.8	175	-79.5	168.1	-173.8	0	0	111.5	R233 K234 M239 K240 E241	R233-E237 WeakPolarHBondContact O-CB 3.34Å; R233-E237 WeakPolarHBondContact O-CG 3.45Å; R233-E237 PolarHBondContact O-N 3.01Å; K234-E237 PolarHBondContact O-N 3.34Å; E237-M239 VanDerWaalsContact C-N 3.31Å; E237-M239 PolarHBondContact O-N 3.2Å; E237-K240 WeakPolarHBondContact O-CB 3.39Å; E237-K240 PolarHBondContact O-N 3.25Å; E237-K240 VanDerWaalsContact O-N 3.11Å; E237-E241 WeakPolarHBondContact O-CB 3.37Å; E237-E241 PolarHBondContact O-N 2.92Å
238	F	77.7	Confident	61.2	Low	128 Å²	128	105.4 Å²	105.4	56%	0.561	55%	0.546	S	S	*	.	H	α-helix	trans	-57.1	-43.1	174.1	173.6	-99.1	0	0	0	112	K234 Y235 K240 E241 A242	K234-F238 VanDerWaalsContact O-CB 3.28Å; K234-F238 WeakPolarHBondContact O-CB 3.46Å; K234-F238 PolarHBondContact O-N 3.07Å; Y235-F238 PolarHBondContact O-N 2.94Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.09Å; F238-E241 PolarHBondContact O-N 3.23Å; F238-A242 WeakPolarHBondContact O-CB 3.3Å; F238-A242 PolarHBondContact O-N 3.41Å
239	M	78.2	Confident	61.1	Low	38 Å²	38	105.4 Å²	105.4	19%	0.187	55%	0.548	C	S	.	.	H	α-helix	trans	-70.4	-29.3	178.3	-69.9	-77	-85.4	0	0	112.6	Y235 I236 E237 G243 V244 I245	Y235-M239 HydrophobicContact CD1-CG 4.18Å; Y235-M239 HydrophobicContact CD2-CG 4.45Å; Y235-M239 HydrophobicContact CE1-CE 4.35Å; Y235-M239 HydrophobicContact CE1-CG 3.84Å; Y235-M239 HydrophobicContact CE2-CG 4.13Å; Y235-M239 HydrophobicContact CE2-SD 4.35Å; Y235-M239 HydrophobicContact CG-CG 4.48Å; Y235-M239 WeakPolarHBondContact O-CB 3.34Å; Y235-M239 WeakPolarHBondContact O-CG 3.4Å; Y235-M239 PolarHBondContact O-N 3.41Å; I236-M239 PolarHBondContact O-N 2.77Å; E237-M239 VanDerWaalsContact C-N 3.31Å; E237-M239 PolarHBondContact O-N 3.2Å; M239-G243 PolarHBondContact O-N 3.33Å; M239-V244 HydrophobicContact CE-CB 4.07Å; M239-V244 HydrophobicContact CE-CG1 3.52Å; M239-V244 PolarHBondContact O-N 3.48Å; M239-V244 HydrophobicContact SD-CB 4.11Å; M239-V244 HydrophobicContact SD-CG1 4.17Å; M239-V244 HydrophobicContact SD-CG2 4.3Å; M239-I245 HydrophobicContact CB-CB 4.49Å; M239-I245 HydrophobicContact CB-CD1 3.42Å; M239-I245 VanDerWaalsContact CB-CD1 3.42Å; M239-I245 HydrophobicContact CB-CG1 3.74Å; M239-I245 HydrophobicContact CG-CD1 4.34Å; M239-I245 PolarHBondContact O-N 3.12Å
240	K	79.3	Confident	61.1	Low	97 Å²	97	105.1 Å²	105.1	42%	0.422	55%	0.552	S	S	.	*	H	α-helix	trans	-70.8	-43	170.7	-77	179.2	178	-162.6	0	111.7	I236 E237 F238 G243 I245 N247	I236-K240 HydrophobicContact CG2-CD 4.34Å; I236-K240 WeakPolarHBondContact O-CB 3.31Å; I236-K240 VanDerWaalsContact O-CG 3.3Å; I236-K240 WeakPolarHBondContact O-CG 3.2Å; I236-K240 PolarHBondContact O-N 2.96Å; E237-K240 WeakPolarHBondContact O-CB 3.39Å; E237-K240 PolarHBondContact O-N 3.25Å; E237-K240 VanDerWaalsContact O-N 3.11Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.09Å; K240-G243 PolarHBondContact O-N 3.08Å; K240-G243 VanDerWaalsContact O-N 3.09Å; K240-I245 HydrophobicContact CG-CB 3.91Å; K240-I245 HydrophobicContact CG-CG2 3.93Å; K240-N247 PolarHBondContact NZ-OD1 2.85Å
241	E	73.8	Confident	60.9	Low	175 Å²	175	109.3 Å²	109.3	82%	0.818	56%	0.561	S	S	*	*	H	α-helix	trans	-69.7	-35.6	179.8	-156.7	169.4	-143.8	0	0	111.7	E237 F238 G243	E237-E241 WeakPolarHBondContact O-CB 3.37Å; E237-E241 PolarHBondContact O-N 2.92Å; F238-E241 PolarHBondContact O-N 3.23Å; E241-G243 PolarHBondContact O-N 3.37Å
242	A	74.7	Confident	61.1	Low	57 Å²	57	113.4 Å²	113.4	47%	0.471	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.6	-0.1	170.5	0	0	0	0	0	113.7	F238 V244	F238-A242 WeakPolarHBondContact O-CB 3.3Å; F238-A242 PolarHBondContact O-N 3.41Å; A242-V244 HydrophobicContact CB-CG2 4.06Å; A242-V244 PolarHBondContact O-N 2.9Å
243	G	61.3	Low	60.5	Low	47 Å²	47	114.8 Å²	114.8	49%	0.485	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	68.8	8.5	-179.4	0	0	0	0	0	115.1	M239 K240 E241	M239-G243 PolarHBondContact O-N 3.33Å; K240-G243 PolarHBondContact O-N 3.08Å; K240-G243 VanDerWaalsContact O-N 3.09Å; E241-G243 PolarHBondContact O-N 3.37Å
244	V	70.8	Confident	59.6	Low	97 Å²	97	111.8 Å²	111.8	59%	0.588	59%	0.587	S	S	*	*	S	Bend	trans	-76.4	-35.5	179.3	-175.4	0	0	0	0	111	M239 A242	M239-V244 HydrophobicContact CE-CB 4.07Å; M239-V244 HydrophobicContact CE-CG1 3.52Å; M239-V244 PolarHBondContact O-N 3.48Å; M239-V244 HydrophobicContact SD-CB 4.11Å; M239-V244 HydrophobicContact SD-CG1 4.17Å; M239-V244 HydrophobicContact SD-CG2 4.3Å; A242-V244 HydrophobicContact CB-CG2 4.06Å; A242-V244 PolarHBondContact O-N 2.9Å
245	I	52.8	Low	58.7	Low	63 Å²	63	111.2 Å²	111.2	32%	0.323	59%	0.591	S	S	.	*	S	Bend	trans	-103.2	93.6	171.1	-60.6	172.3	0	0	0	107.5	I236 M239 K240 N247	I236-I245 HydrophobicContact CG2-CD1 4.35Å; M239-I245 HydrophobicContact CB-CB 4.49Å; M239-I245 HydrophobicContact CB-CD1 3.42Å; M239-I245 VanDerWaalsContact CB-CD1 3.42Å; M239-I245 HydrophobicContact CB-CG1 3.74Å; M239-I245 HydrophobicContact CG-CD1 4.34Å; M239-I245 PolarHBondContact O-N 3.12Å; K240-I245 HydrophobicContact CG-CB 3.91Å; K240-I245 HydrophobicContact CG-CG2 3.93Å; I245-N247 PolarHBondContact O-N 3.33Å
246	Q	47.2	Very low	58.1	Low	156 Å²	156	109.5 Å²	109.5	73%	0.729	60%	0.6	S	S	*	*			trans	-65	128.8	167.2	-69.4	176.8	-12.1	0	0	108.5	V248	Q246-V248 PolarHBondContact O-N 2.86Å
247	N	46	Very low	57.6	Low	124 Å²	124	115 Å²	115	66%	0.663	62%	0.621	S	S	*	*			trans	-63.7	91.3	157.1	-79.8	-19.2	0	0	0	105.4	K240 I245 P249	K240-N247 PolarHBondContact NZ-OD1 2.85Å; I245-N247 PolarHBondContact O-N 3.33Å; N247-P249 WeakPolarHBondContact O-CD 3.27Å; N247-P249 VanDerWaalsContact O-N 3.11Å
248	V	43.2	Very low	57	Low	119 Å²	119	115.5 Å²	115.5	72%	0.721	63%	0.633	S	S	*	*			trans	-60.8	116.5	166.4	-165.5	0	0	0	0	104.5	Q246 F250	Q246-V248 PolarHBondContact O-N 2.86Å; V248-F250 PolarHBondContact O-N 3.18Å
249	P	42.8	Very low	56.7	Low	96 Å²	96	113.8 Å²	113.8	62%	0.623	63%	0.63	S	S	*	*			trans	-52	134.9	169.9	-19.5	31.9	0	0	0	106.3	N247 E251	N247-P249 WeakPolarHBondContact O-CD 3.27Å; N247-P249 VanDerWaalsContact O-N 3.11Å; P249-E251 PolarHBondContact O-N 3.41Å
250	F	42.7	Very low	56.9	Low	186 Å²	186	122 Å²	122	82%	0.816	66%	0.659	S	S	*	*			trans	-66.6	77.6	173.1	-162.8	-91.6	0	0	0	107	V248 N252	V248-F250 PolarHBondContact O-N 3.18Å; F250-N252 WeakPolarHBondContact CD1-OD1 3.49Å; F250-N252 VanDerWaalsContact CE1-OD1 3.27Å; F250-N252 WeakPolarHBondContact CE1-OD1 3.3Å; F250-N252 PolarHBondContact O-N 3.11Å
251	E	40.7	Very low	57.4	Low	152 Å²	152	123.1 Å²	123.1	71%	0.71	67%	0.665	S	S	*	*			trans	-63.2	111.6	168.9	-75.3	-162.9	166.3	0	0	105.2	P249 S253	P249-E251 PolarHBondContact O-N 3.41Å; E251-S253 PolarHBondContact O-N 2.96Å
252	N	43.1	Very low	58.3	Low	131 Å²	131	115 Å²	115	70%	0.701	63%	0.628	S	S	*	*			trans	-64.7	50.8	159	-82.2	-22.3	0	0	0	109.5	F250 S254	F250-N252 WeakPolarHBondContact CD1-OD1 3.49Å; F250-N252 VanDerWaalsContact CE1-OD1 3.27Å; F250-N252 WeakPolarHBondContact CE1-OD1 3.3Å; F250-N252 PolarHBondContact O-N 3.11Å; N252-S254 PolarHBondContact O-N 3.32Å; N252-S254 PolarHBondContact O-OG 3.02Å
253	S	47	Very low	59.1	Low	83 Å²	83	117.2 Å²	117.2	58%	0.58	63%	0.631	S	S	*	*			trans	-77.3	87.3	170	-160	0	0	0	0	106.3	E251 L255	E251-S253 PolarHBondContact O-N 2.96Å; S253-L255 PolarHBondContact O-N 3.24Å
254	S	47.7	Very low	60.4	Low	112 Å²	112	115.2 Å²	115.2	78%	0.783	61%	0.611	S	S	*	*			trans	-69.8	26.7	-179.6	-54.8	0	0	0	0	112.4	N252 S256	N252-S254 PolarHBondContact O-N 3.32Å; N252-S254 PolarHBondContact O-OG 3.02Å; S254-S256 PolarHBondContact O-N 3.17Å; S254-S256 VanDerWaalsContact O-N 3.08Å
255	L	49	Very low	61.1	Low	145 Å²	145	114.1 Å²	114.1	76%	0.759	60%	0.601	S	S	*	*			trans	-86.4	84.1	-179.1	-136.4	74.9	0	0	0	109.4	S253 K257	S253-L255 PolarHBondContact O-N 3.24Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.88Å
256	S	55.9	Low	62.8	Low	107 Å²	107	120.7 Å²	120.7	75%	0.748	63%	0.631	S	S	*	*			trans	-7.7	70.3	158.4	53.8	0	0	0	0	117.3	S254	S254-S256 PolarHBondContact O-N 3.17Å; S254-S256 VanDerWaalsContact O-N 3.08Å
257	K	60.3	Low	64.9	Low	193 Å²	193	114 Å²	114	84%	0.839	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-64.8	125.3	152.4	-78	179.1	-179.3	171.2	0	106.7	L255 L259	L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.88Å; K257-L259 PolarHBondContact O-N 3.41Å
258	P	63.7	Low	67.1	Low	119 Å²	119	113.6 Å²	113.6	77%	0.773	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-56.8	129.6	180	21.7	-31.1	0	0	0	108.7	R260	P258-R260 PolarHBondContact O-N 3.13Å
259	L	70	Confident	69.4	Low	92 Å²	92	112.5 Å²	112.5	48%	0.482	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-56.1	125	175.9	-72.8	130.9	0	0	0	107.7	K257 A270 A271 R273	K257-L259 PolarHBondContact O-N 3.41Å; L259-A270 HydrophobicContact CB-CB 3.83Å; L259-A271 WeakPolarHBondContact CD2-O 3.48Å; L259-R273 HydrophobicContact CD2-CG 3.66Å
260	R	83.1	Confident	71.7	Confident	211 Å²	211	110.6 Å²	110.6	80%	0.796	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-62	150	-179.8	-56.7	-160.2	-164.9	-86.1	6.7	109.4	P258 A271	P258-R260 PolarHBondContact O-N 3.13Å; R260-A271 WeakPolarHBondContact O-CB 3.11Å; R260-A271 PolarHBondContact O-N 2.91Å
261	Q	89.5	Confident	74	Confident	121 Å²	121	102 Å²	102	57%	0.565	55%	0.549	S	S	*	.	B	Isolated β-bridge	trans	-63.9	141.9	172	-174.1	178.6	-12.3	0	0	110.3	C267	Q261-C267 PolarHBondContact NE2-O 3.37Å
262	C	93.5	Very high	76.3	Confident	5 Å²	5	99.2 Å²	99.2	3%	0.034	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-56.3	135.7	174.3	-179.6	0	0	0	0	111.1	G264 C267 N269 Y277 C278 C282	C262-G264 PolarHBondContact O-N 3.16Å; C262-G264 PolarHBondContact SG-N 3.33Å; C262-C267 HydrophobicContact CB-CB 3.97Å; C262-C267 VanDerWaalsContact SG-SG 3.67Å; C262-N269 WeakPolarHBondContact CB-O 3.5Å; C262-N269 PolarHBondContact N-O 2.87Å; C262-Y277 VanDerWaalsContact SG-CA 3.57Å; C262-C278 HydrophobicContact CB-CB 4.06Å; C262-C278 PolarHBondContact SG-N 2.69Å; C262-C282 PolarHBondContact SG-SG 2.88Å
263	L	90.2	Very high	78.3	Confident	102 Å²	102	104.1 Å²	104.1	53%	0.534	54%	0.541	S	S	.	.			trans	-80.5	0.3	177	-64.4	-176.7	0	0	0	114.3	M276 Y277 L286	L263-M276 HydrophobicContact CD1-CB 4.05Å; L263-M276 HydrophobicContact CD1-CG 4.49Å; L263-M276 HydrophobicContact CD1-SD 4.11Å; L263-M276 HydrophobicContact CG-CB 4.47Å; L263-M276 PolarHBondContact N-O 2.91Å; L263-M276 VanDerWaalsContact N-O 3.11Å; L263-Y277 HydrophobicContact CB-CD1 4.4Å; L263-Y277 HydrophobicContact CB-CE1 4.02Å; L263-L286 WeakPolarHBondContact O-CD2 3.49Å
264	G	89.1	Confident	80.1	Confident	6 Å²	6	107 Å²	107	6%	0.062	55%	0.55	C	S	.	.	S	Bend	trans	-65.7	155.4	179.1	0	0	0	0	0	112.4	C262 Q266 C267 C282	C262-G264 PolarHBondContact O-N 3.16Å; C262-G264 PolarHBondContact SG-N 3.33Å; G264-Q266 PolarHBondContact O-N 2.88Å; G264-C267 WeakPolarHBondContact O-CB 3.5Å; G264-C267 PolarHBondContact O-N 3.29Å; G264-C282 VanDerWaalsContact CA-SG 3.59Å
265	L	86.5	Confident	82.1	Confident	74 Å²	74	103.3 Å²	103.3	39%	0.387	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	117.2	-178.7	-61.1	172.4	0	0	0	110.4	C267 L286 E289	L265-C267 PolarHBondContact O-N 3.43Å; L265-L286 HydrophobicContact CD2-CD1 3.51Å; L265-L286 HydrophobicContact CG-CD1 3.8Å; L265-E289 HydrophobicContact CD1-CB 3.74Å; L265-E289 HydrophobicContact CD1-CG 3.86Å
266	Q	88	Confident	84	Confident	200 Å²	200	101.8 Å²	101.8	94%	0.935	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	20.1	178.4	-54.8	175.4	-1.4	0	0	114.5	G264 T268	G264-Q266 PolarHBondContact O-N 2.88Å; Q266-T268 PolarHBondContact O-N 2.9Å
267	C	92.1	Very high	85.8	Confident	15 Å²	15	98.8 Å²	98.8	10%	0.101	49%	0.487	C	S	.	.			trans	-83.8	120.2	-178.2	-168.3	0	0	0	0	110.9	Q261 C262 G264 L265 C278 C282	Q261-C267 PolarHBondContact NE2-O 3.37Å; C262-C267 HydrophobicContact CB-CB 3.97Å; C262-C267 VanDerWaalsContact SG-SG 3.67Å; G264-C267 WeakPolarHBondContact O-CB 3.5Å; G264-C267 PolarHBondContact O-N 3.29Å; L265-C267 PolarHBondContact O-N 3.43Å; C267-C278 PolarHBondContact SG-SG 3.47Å; C267-C282 VanDerWaalsContact SG-SG 3.68Å
268	T	91.8	Very high	87.4	Confident	117 Å²	117	91 Å²	91	72%	0.718	46%	0.457	S	S	*	.			trans	-94.5	-2.7	176	52	0	0	0	0	113.2	Q266	Q266-T268 PolarHBondContact O-N 2.9Å
269	N	91.6	Very high	88.7	Confident	95 Å²	95	87.4 Å²	87.4	51%	0.508	43%	0.434	S	S	.	.	S	Bend	trans	-69.7	150.8	179.5	-65.3	-29.4	0	0	0	111.7	C262 C278	C262-N269 WeakPolarHBondContact CB-O 3.5Å; C262-N269 PolarHBondContact N-O 2.87Å; N269-C278 HydrophobicContact CB-CB 3.64Å
270	A	91	Very high	89.8	Confident	57 Å²	57	88.4 Å²	88.4	47%	0.471	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-64.7	135.2	169.7	0	0	0	0	0	110.8	L259 C278	L259-A270 HydrophobicContact CB-CB 3.83Å; A270-C278 VanDerWaalsContact O-CB 3.24Å; A270-C278 WeakPolarHBondContact O-CB 3.39Å
271	A	91.2	Very high	90.2	Very high	6 Å²	6	84.4 Å²	84.4	5%	0.05	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-66.3	150.5	171.1	0	0	0	0	0	110.6	L259 R260 S275	L259-A271 WeakPolarHBondContact CD2-O 3.48Å; R260-A271 WeakPolarHBondContact O-CB 3.11Å; R260-A271 PolarHBondContact O-N 2.91Å; A271-S275 WeakPolarHBondContact CB-O 3.08Å
272	R	89.2	Confident	90.4	Very high	92 Å²	92	78.8 Å²	78.8	35%	0.347	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-64.1	155.4	173.8	-61.5	174.9	-73	173.9	-3.3	110.1	D274 S275 Y277 N280	R272-D274 PolarHBondContact O-N 3.11Å; R272-D274 VanDerWaalsContact O-N 3.08Å; R272-S275 PolarHBondContact NH2-OG 3.4Å; R272-S275 PolarHBondContact O-N 3.5Å; R272-S275 VanDerWaalsContact O-N 3.12Å; R272-Y277 PolarHBondContact N-O 3.49Å; R272-Y277 VanDerWaalsContact N-O 3.16Å; R272-Y277 PolarHBondContact NE-O 3.09Å; R272-N280 PolarHBondContact NH1-OD1 3.36Å; R272-N280 PolarHBondContact NH2-OD1 3.4Å
273	R	84.2	Confident	90.4	Very high	235 Å²	235	79 Å²	79	89%	0.887	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	-175.6	-69.2	-175.7	-178.9	177.6	0.8	113.7	L259	L259-R273 HydrophobicContact CD2-CG 3.66Å
274	D	85.4	Confident	90.5	Very high	144 Å²	144	78 Å²	78	77%	0.77	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	4.2	-176.7	62.9	-31.2	0	0	0	113.3	R272	R272-D274 PolarHBondContact O-N 3.11Å; R272-D274 VanDerWaalsContact O-N 3.08Å
275	S	89.4	Confident	90.7	Very high	34 Å²	34	83 Å²	83	24%	0.238	42%	0.423	C	S	.	.			trans	-132.7	154.8	-176.1	-163.2	0	0	0	0	111.4	A271 R272 Y277	A271-S275 WeakPolarHBondContact CB-O 3.08Å; R272-S275 PolarHBondContact NH2-OG 3.4Å; R272-S275 PolarHBondContact O-N 3.5Å; R272-S275 VanDerWaalsContact O-N 3.12Å; S275-Y277 PolarHBondContact O-N 3.36Å; S275-Y277 PolarHBondContact OG-N 3.23Å
276	M	88.9	Confident	90.9	Very high	113 Å²	113	80 Å²	80	56%	0.557	41%	0.407	S	S	*	.	S	Bend	trans	-79	-3.8	170	-60.2	-174.6	-66.9	0	0	112.6	L263	L263-M276 HydrophobicContact CD1-CB 4.05Å; L263-M276 HydrophobicContact CD1-CG 4.49Å; L263-M276 HydrophobicContact CD1-SD 4.11Å; L263-M276 HydrophobicContact CG-CB 4.47Å; L263-M276 PolarHBondContact N-O 2.91Å; L263-M276 VanDerWaalsContact N-O 3.11Å
277	Y	93.6	Very high	91	Very high	43 Å²	43	72.7 Å²	72.7	17%	0.169	38%	0.381	C	S	.	.	S	Bend	trans	-128.7	148	-171.3	-49	-74.8	0	0	0	111.9	C262 L263 R272 S275 S279 L286	C262-Y277 VanDerWaalsContact SG-CA 3.57Å; L263-Y277 HydrophobicContact CB-CD1 4.4Å; L263-Y277 HydrophobicContact CB-CE1 4.02Å; R272-Y277 PolarHBondContact N-O 3.49Å; R272-Y277 VanDerWaalsContact N-O 3.16Å; R272-Y277 PolarHBondContact NE-O 3.09Å; S275-Y277 PolarHBondContact O-N 3.36Å; S275-Y277 PolarHBondContact OG-N 3.23Å; Y277-S279 VanDerWaalsContact C-N 3.33Å; Y277-S279 WeakPolarHBondContact CB-O 3.47Å; Y277-L286 HydrophobicContact CE1-CD2 3.84Å
278	C	92.9	Very high	91	Very high	31 Å²	31	77.2 Å²	77.2	21%	0.209	40%	0.402	C	S	.	.	S	Bend	trans	-69.4	-30.9	175.3	66	0	0	0	0	112.4	C262 C267 N269 A270	C262-C278 HydrophobicContact CB-CB 4.06Å; C262-C278 PolarHBondContact SG-N 2.69Å; C267-C278 PolarHBondContact SG-SG 3.47Å; N269-C278 HydrophobicContact CB-CB 3.64Å; A270-C278 VanDerWaalsContact O-CB 3.24Å; A270-C278 WeakPolarHBondContact O-CB 3.39Å
279	S	91.8	Very high	91	Very high	43 Å²	43	76.3 Å²	76.3	30%	0.301	39%	0.39	S	S	.	.	S	Bend	trans	-144.9	160.8	177.9	69.5	0	0	0	0	110.7	Y277 E281 C282 G283	Y277-S279 VanDerWaalsContact C-N 3.33Å; Y277-S279 WeakPolarHBondContact CB-O 3.47Å; S279-E281 PolarHBondContact O-N 2.83Å; S279-C282 PolarHBondContact O-N 3.34Å; S279-C282 WeakPolarHBondContact OG-CB 3.4Å; S279-C282 PolarHBondContact OG-N 2.97Å; S279-C282 VanDerWaalsContact OG-N 3.13Å; S279-G283 PolarHBondContact O-N 3.49Å
280	N	93	Very high	90.9	Very high	113 Å²	113	78.4 Å²	78.4	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-60.2	-40	172.8	-67.4	-19.3	0	0	0	110.8	R272 C282 G283 V284	R272-N280 PolarHBondContact NH1-OD1 3.36Å; R272-N280 PolarHBondContact NH2-OD1 3.4Å; N280-C282 VanDerWaalsContact C-N 3.3Å; N280-C282 PolarHBondContact O-N 3.28Å; N280-G283 PolarHBondContact O-N 3.34Å; N280-V284 VanDerWaalsContact O-CG2 3.31Å; N280-V284 WeakPolarHBondContact O-CG2 3.39Å; N280-V284 PolarHBondContact O-N 3.07Å
281	E	92.4	Very high	90.7	Very high	127 Å²	127	79.2 Å²	79.2	59%	0.593	39%	0.386	S	S	*	.	H	α-helix	trans	-58.7	-40.5	177.9	-161.8	-162.4	142.3	0	0	112.3	S279 G283 V284 R285	S279-E281 PolarHBondContact O-N 2.83Å; E281-G283 VanDerWaalsContact C-N 3.34Å; E281-G283 PolarHBondContact O-N 2.91Å; E281-V284 PolarHBondContact O-N 3.07Å; E281-R285 VanDerWaalsContact O-CB 3.3Å; E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 PolarHBondContact O-N 2.9Å; E281-R285 IonicContact OE1-CZ 3.84Å; E281-R285 IonicContact OE1-NH2 2.77Å; E281-R285 PolarHBondContact OE1-NH2 2.99Å
282	C	93.7	Very high	90.6	Very high	2 Å²	2	85.3 Å²	85.3	1%	0.014	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-38.6	179.3	-150.9	0	0	0	0	112	C262 G264 C267 S279 N280 L286	C262-C282 PolarHBondContact SG-SG 2.88Å; G264-C282 VanDerWaalsContact CA-SG 3.59Å; C267-C282 VanDerWaalsContact SG-SG 3.68Å; S279-C282 PolarHBondContact O-N 3.34Å; S279-C282 WeakPolarHBondContact OG-CB 3.4Å; S279-C282 PolarHBondContact OG-N 2.97Å; S279-C282 VanDerWaalsContact OG-N 3.13Å; N280-C282 VanDerWaalsContact C-N 3.3Å; N280-C282 PolarHBondContact O-N 3.28Å; C282-L286 PolarHBondContact O-N 2.97Å
283	G	92.3	Very high	90.5	Very high	11 Å²	11	85.2 Å²	85.2	11%	0.113	42%	0.423	C	S	.	.	H	α-helix	trans	-68	-43.2	172.9	0	0	0	0	0	112.9	S279 N280 E281 L286 A287	S279-G283 PolarHBondContact O-N 3.49Å; N280-G283 PolarHBondContact O-N 3.34Å; E281-G283 VanDerWaalsContact C-N 3.34Å; E281-G283 PolarHBondContact O-N 2.91Å; G283-L286 PolarHBondContact O-N 2.99Å; G283-A287 WeakPolarHBondContact O-CB 3.36Å; G283-A287 PolarHBondContact O-N 3.34Å
284	V	92.3	Very high	90.5	Very high	81 Å²	81	77.8 Å²	77.8	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-42.3	178	171.6	0	0	0	0	111.1	N280 E281 A287 M288	N280-V284 VanDerWaalsContact O-CG2 3.31Å; N280-V284 WeakPolarHBondContact O-CG2 3.39Å; N280-V284 PolarHBondContact O-N 3.07Å; E281-V284 PolarHBondContact O-N 3.07Å; V284-A287 WeakPolarHBondContact O-CB 3.47Å; V284-A287 PolarHBondContact O-N 3.3Å; V284-M288 PolarHBondContact O-N 3.46Å
285	R	93	Very high	90.5	Very high	109 Å²	109	73 Å²	73	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-45.9	179.2	-164.2	-173.8	-48.9	133.7	2.2	112.2	E281 A287 M288 E289	E281-R285 VanDerWaalsContact O-CB 3.3Å; E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 PolarHBondContact O-N 2.9Å; E281-R285 IonicContact OE1-CZ 3.84Å; E281-R285 IonicContact OE1-NH2 2.77Å; E281-R285 PolarHBondContact OE1-NH2 2.99Å; R285-A287 VanDerWaalsContact C-N 3.31Å; R285-A287 PolarHBondContact O-N 3.37Å; R285-M288 PolarHBondContact O-N 3.26Å; R285-E289 PolarHBondContact O-N 2.89Å
286	L	92.4	Very high	90.4	Very high	13 Å²	13	75 Å²	75	7%	0.068	39%	0.387	C	S	.	.	H	α-helix	trans	-62.3	-40.8	174.3	179.3	66.9	0	0	0	111.5	L263 L265 Y277 C282 G283 E289 R290	L263-L286 WeakPolarHBondContact O-CD2 3.49Å; L265-L286 HydrophobicContact CD2-CD1 3.51Å; L265-L286 HydrophobicContact CG-CD1 3.8Å; Y277-L286 HydrophobicContact CE1-CD2 3.84Å; C282-L286 PolarHBondContact O-N 2.97Å; G283-L286 PolarHBondContact O-N 2.99Å; L286-E289 PolarHBondContact O-N 3.31Å; L286-R290 WeakPolarHBondContact O-CG 3.36Å; L286-R290 PolarHBondContact O-N 3.34Å
287	A	90.1	Very high	90.2	Very high	46 Å²	46	72.9 Å²	72.9	38%	0.38	39%	0.387	S	S	.	.	H	α-helix	trans	-63.1	-43.5	176.5	0	0	0	0	0	111.7	G283 V284 R285 R290 L291	G283-A287 WeakPolarHBondContact O-CB 3.36Å; G283-A287 PolarHBondContact O-N 3.34Å; V284-A287 WeakPolarHBondContact O-CB 3.47Å; V284-A287 PolarHBondContact O-N 3.3Å; R285-A287 VanDerWaalsContact C-N 3.31Å; R285-A287 PolarHBondContact O-N 3.37Å; A287-R290 PolarHBondContact O-N 2.91Å; A287-L291 VanDerWaalsContact O-CG 3.31Å; A287-L291 WeakPolarHBondContact O-CG 3.31Å; A287-L291 PolarHBondContact O-N 2.99Å
288	M	90.9	Very high	89.7	Confident	109 Å²	109	74 Å²	74	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-60	-46	175.4	-81.8	-168	165.8	0	0	112	V284 R285 R290 L291 H292	V284-M288 PolarHBondContact O-N 3.46Å; R285-M288 PolarHBondContact O-N 3.26Å; M288-R290 VanDerWaalsContact C-N 3.31Å; M288-R290 PolarHBondContact O-N 3.1Å; M288-L291 CarbonylContact O-C 3.59Å; M288-L291 WeakPolarHBondContact O-CA 3.19Å; M288-L291 WeakPolarHBondContact O-CB 3.32Å; M288-L291 PolarHBondContact O-N 3.5Å; M288-H292 PolarHBondContact O-CD2 3.49Å; M288-H292 PolarHBondContact O-N 2.96Å
289	E	91.1	Very high	89.4	Confident	99 Å²	99	75.9 Å²	75.9	46%	0.463	40%	0.398	S	S	.	.	H	α-helix	trans	-62.2	-40.1	178.3	-167.6	64.5	-160.5	0	0	112.1	L265 R285 L286 L291 H292 T293	L265-E289 HydrophobicContact CD1-CB 3.74Å; L265-E289 HydrophobicContact CD1-CG 3.86Å; R285-E289 PolarHBondContact O-N 2.89Å; L286-E289 PolarHBondContact O-N 3.31Å; E289-L291 VanDerWaalsContact C-N 3.3Å; E289-L291 PolarHBondContact O-N 3.26Å; E289-H292 PolarHBondContact O-N 3.46Å; E289-T293 WeakPolarHBondContact O-CG2 3.39Å; E289-T293 PolarHBondContact O-N 3.48Å; E289-T293 PolarHBondContact O-OG1 3.02Å
290	R	89.7	Confident	89.1	Confident	139 Å²	139	77.6 Å²	77.6	53%	0.525	41%	0.41	S	S	.	.	H	α-helix	trans	-62.3	-37.9	172.5	-72.9	174.9	175.8	-177.4	-0.6	111.9	L286 A287 M288 T293 I294	L286-R290 WeakPolarHBondContact O-CG 3.36Å; L286-R290 PolarHBondContact O-N 3.34Å; A287-R290 PolarHBondContact O-N 2.91Å; M288-R290 VanDerWaalsContact C-N 3.31Å; M288-R290 PolarHBondContact O-N 3.1Å; R290-T293 WeakPolarHBondContact CA-OG1 3.38Å; R290-T293 PolarHBondContact O-OG1 3.43Å; R290-I294 VanDerWaalsContact O-CB 3.29Å; R290-I294 WeakPolarHBondContact O-CB 3.49Å; R290-I294 WeakPolarHBondContact O-CD1 3.4Å; R290-I294 WeakPolarHBondContact O-CG1 3.48Å; R290-I294 PolarHBondContact O-N 3.39Å
291	L	86.8	Confident	88.6	Confident	73 Å²	73	76.3 Å²	76.3	38%	0.382	41%	0.406	S	S	.	.	H	α-helix	trans	-68.2	-44.3	175.7	-69.5	171.6	0	0	0	111.2	A287 M288 E289 T293 I294 L295	A287-L291 VanDerWaalsContact O-CG 3.31Å; A287-L291 WeakPolarHBondContact O-CG 3.31Å; A287-L291 PolarHBondContact O-N 2.99Å; M288-L291 CarbonylContact O-C 3.59Å; M288-L291 WeakPolarHBondContact O-CA 3.19Å; M288-L291 WeakPolarHBondContact O-CB 3.32Å; M288-L291 PolarHBondContact O-N 3.5Å; E289-L291 VanDerWaalsContact C-N 3.3Å; E289-L291 PolarHBondContact O-N 3.26Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 3.18Å; L291-I294 PolarHBondContact O-N 3.01Å; L291-L295 HydrophobicContact CB-CD1 3.85Å; L291-L295 HydrophobicContact CB-CG 4.21Å; L291-L295 HydrophobicContact CD2-CD1 3.97Å; L291-L295 HydrophobicContact CD2-CD2 4.3Å; L291-L295 HydrophobicContact CD2-CG 4.08Å; L291-L295 HydrophobicContact CG-CD1 4.41Å; L291-L295 WeakPolarHBondContact O-CB 3.49Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.08Å
292	H	89.2	Confident	88.1	Confident	135 Å²	135	72.5 Å²	72.5	63%	0.625	39%	0.389	S	S	*	.	H	α-helix	trans	-62.7	-33.2	177.3	-77.9	-66	0	0	0	113.3	M288 E289 P296	M288-H292 PolarHBondContact O-CD2 3.49Å; M288-H292 PolarHBondContact O-N 2.96Å; E289-H292 PolarHBondContact O-N 3.46Å; H292-P296 WeakPolarHBondContact O-CD 3.4Å; H292-P296 VanDerWaalsContact O-CG 3.27Å; H292-P296 WeakPolarHBondContact O-CG 3.39Å
293	T	87.4	Confident	87.7	Confident	90 Å²	90	77 Å²	77	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-78.3	-39.1	176.9	48.9	0	0	0	0	112.8	E289 R290 L291	E289-T293 WeakPolarHBondContact O-CG2 3.39Å; E289-T293 PolarHBondContact O-N 3.48Å; E289-T293 PolarHBondContact O-OG1 3.02Å; R290-T293 WeakPolarHBondContact CA-OG1 3.38Å; R290-T293 PolarHBondContact O-OG1 3.43Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 3.18Å
294	I	84.1	Confident	87.3	Confident	79 Å²	79	83.8 Å²	83.8	41%	0.405	44%	0.439	S	S	.	.	H	α-helix	trans	-89.7	-41.4	-172.7	-63.3	169.4	0	0	0	112.8	R290 L291 R298	R290-I294 VanDerWaalsContact O-CB 3.29Å; R290-I294 WeakPolarHBondContact O-CB 3.49Å; R290-I294 WeakPolarHBondContact O-CD1 3.4Å; R290-I294 WeakPolarHBondContact O-CG1 3.48Å; R290-I294 PolarHBondContact O-N 3.39Å; L291-I294 PolarHBondContact O-N 3.01Å; I294-R298 HydrophobicContact CG2-CG 4.14Å; I294-R298 VanDerWaalsContact CG2-NE 3.26Å; I294-R298 WeakPolarHBondContact O-CG 3.32Å; I294-R298 PolarHBondContact O-N 2.87Å
295	L	85.3	Confident	86.9	Confident	42 Å²	42	85.9 Å²	85.9	22%	0.22	44%	0.443	C	S	.	.	H	α-helix	trans	-64.3	-43.6	-169.6	-68.5	179.5	0	0	0	114.2	L291 A297 R298 I299 L525	L291-L295 HydrophobicContact CB-CD1 3.85Å; L291-L295 HydrophobicContact CB-CG 4.21Å; L291-L295 HydrophobicContact CD2-CD1 3.97Å; L291-L295 HydrophobicContact CD2-CD2 4.3Å; L291-L295 HydrophobicContact CD2-CG 4.08Å; L291-L295 HydrophobicContact CG-CD1 4.41Å; L291-L295 WeakPolarHBondContact O-CB 3.49Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.08Å; L295-A297 PolarHBondContact O-N 2.85Å; L295-R298 PolarHBondContact O-N 2.85Å; L295-R298 VanDerWaalsContact O-N 3.17Å; L295-I299 HydrophobicContact CB-CD1 4.03Å; L295-I299 WeakPolarHBondContact O-CB 3.3Å; L295-I299 WeakPolarHBondContact O-CG1 3.4Å; L295-I299 PolarHBondContact O-N 3.44Å; L295-L525 HydrophobicContact CD2-CD2 3.85Å; L295-L525 HydrophobicContact CD2-CG 4.07Å
296	P	86.7	Confident	86.6	Confident	78 Å²	78	85.8 Å²	85.8	51%	0.506	44%	0.443	S	S	.	.	H	α-helix	trans	-58.3	-45.1	-174.5	-27	36	0	0	0	113.6	H292 I299 S300	H292-P296 WeakPolarHBondContact O-CD 3.4Å; H292-P296 VanDerWaalsContact O-CG 3.27Å; H292-P296 WeakPolarHBondContact O-CG 3.39Å; P296-I299 PolarHBondContact O-N 2.84Å; P296-S300 WeakPolarHBondContact O-CB 3.39Å; P296-S300 PolarHBondContact O-N 3.36Å
297	A	85	Confident	86.3	Confident	67 Å²	67	91.9 Å²	91.9	55%	0.554	47%	0.471	S	S	*	.	H	α-helix	trans	-64.2	-44.3	177.4	0	0	0	0	0	111.5	L295 S300 V301	L295-A297 PolarHBondContact O-N 2.85Å; A297-S300 PolarHBondContact O-N 3.01Å; A297-V301 WeakPolarHBondContact O-CG2 3.39Å; A297-V301 PolarHBondContact O-N 3.26Å; A297-V301 VanDerWaalsContact O-N 3.16Å
298	R	84.2	Confident	86.2	Confident	66 Å²	66	93 Å²	93	25%	0.249	47%	0.473	C	S	.	.	H	α-helix	trans	-66.3	-40.2	178.3	-67.3	-170.5	177.4	-169.2	-2.5	112.6	I294 L295 V301 I302 L525 M526 E529	I294-R298 HydrophobicContact CG2-CG 4.14Å; I294-R298 VanDerWaalsContact CG2-NE 3.26Å; I294-R298 WeakPolarHBondContact O-CG 3.32Å; I294-R298 PolarHBondContact O-N 2.87Å; L295-R298 PolarHBondContact O-N 2.85Å; L295-R298 VanDerWaalsContact O-N 3.17Å; R298-V301 PolarHBondContact O-N 3.04Å; R298-I302 WeakPolarHBondContact O-CB 3.34Å; R298-I302 WeakPolarHBondContact O-CG1 3.12Å; R298-I302 PolarHBondContact O-N 2.88Å; R298-L525 HydrophobicContact CB-CD1 3.59Å; R298-L525 WeakPolarHBondContact CD-O 3.48Å; R298-L525 PolarHBondContact NH1-O 3.18Å; R298-M526 PolarHBondContact NH1-O 3.28Å; R298-E529 IonicContact NH2-OE2 3.44Å; R298-E529 PolarHBondContact NH2-OE2 3.36Å
299	I	85.3	Confident	86.1	Confident	72 Å²	72	90.9 Å²	90.9	37%	0.369	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-48.1	176.1	-70.8	167.4	0	0	0	109.7	L295 P296 V301 I302 L303 L525	L295-I299 HydrophobicContact CB-CD1 4.03Å; L295-I299 WeakPolarHBondContact O-CB 3.3Å; L295-I299 WeakPolarHBondContact O-CG1 3.4Å; L295-I299 PolarHBondContact O-N 3.44Å; P296-I299 PolarHBondContact O-N 2.84Å; I299-V301 PolarHBondContact O-N 2.69Å; I299-I302 PolarHBondContact O-N 2.92Å; I299-L303 HydrophobicContact CG2-CD1 3.67Å; I299-L303 HydrophobicContact CG2-CG 4.1Å; I299-L303 WeakPolarHBondContact O-CB 3.34Å; I299-L303 VanDerWaalsContact O-CG 3.27Å; I299-L303 WeakPolarHBondContact O-CG 3.47Å; I299-L303 PolarHBondContact O-N 3.44Å; I299-L525 HydrophobicContact CD1-CD2 4.49Å; I299-L525 HydrophobicContact CG1-CD1 3.98Å; I299-L525 HydrophobicContact CG1-CD2 3.89Å
300	S	85.8	Confident	86.1	Confident	78 Å²	78	87.7 Å²	87.7	55%	0.545	45%	0.453	S	S	.	.	H	α-helix	trans	-56.7	-48.6	178.3	-178.5	0	0	0	0	112.3	P296 A297 L303 K304	P296-S300 WeakPolarHBondContact O-CB 3.39Å; P296-S300 PolarHBondContact O-N 3.36Å; A297-S300 PolarHBondContact O-N 3.01Å; S300-L303 PolarHBondContact O-N 3.49Å; S300-K304 PolarHBondContact O-N 3.11Å; S300-K304 VanDerWaalsContact O-N 3.11Å
301	V	83.9	Confident	86.3	Confident	87 Å²	87	86.4 Å²	86.4	53%	0.527	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-46.6	177.7	173.7	0	0	0	0	111.7	A297 R298 I299 K304 H305	A297-V301 WeakPolarHBondContact O-CG2 3.39Å; A297-V301 PolarHBondContact O-N 3.26Å; A297-V301 VanDerWaalsContact O-N 3.16Å; R298-V301 PolarHBondContact O-N 3.04Å; I299-V301 PolarHBondContact O-N 2.69Å; V301-K304 PolarHBondContact O-N 2.76Å; V301-H305 WeakPolarHBondContact O-CB 3.11Å; V301-H305 PolarHBondContact O-N 3Å
302	I	81.4	Confident	86.6	Confident	46 Å²	46	89.4 Å²	89.4	24%	0.236	46%	0.463	C	S	.	.	H	α-helix	trans	-67.8	-39.1	-179	-77.6	161.5	0	0	0	111.8	R298 I299 H305 R306 L525	R298-I302 WeakPolarHBondContact O-CB 3.34Å; R298-I302 WeakPolarHBondContact O-CG1 3.12Å; R298-I302 PolarHBondContact O-N 2.88Å; I299-I302 PolarHBondContact O-N 2.92Å; I302-H305 PolarHBondContact O-N 3.28Å; I302-R306 WeakPolarHBondContact O-CB 3.36Å; I302-R306 PolarHBondContact O-N 3.1Å; I302-L525 HydrophobicContact CD1-CB 4.1Å; I302-L525 HydrophobicContact CD1-CD1 3.4Å; I302-L525 HydrophobicContact CD1-CG 4.36Å
303	L	84.6	Confident	86.8	Confident	97 Å²	97	83.6 Å²	83.6	51%	0.508	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-44.5	176.3	-72.7	176.6	0	0	0	111.2	I299 S300 R306 Q307	I299-L303 HydrophobicContact CG2-CD1 3.67Å; I299-L303 HydrophobicContact CG2-CG 4.1Å; I299-L303 WeakPolarHBondContact O-CB 3.34Å; I299-L303 VanDerWaalsContact O-CG 3.27Å; I299-L303 WeakPolarHBondContact O-CG 3.47Å; I299-L303 PolarHBondContact O-N 3.44Å; S300-L303 PolarHBondContact O-N 3.49Å; L303-R306 PolarHBondContact O-N 3.45Å; L303-Q307 WeakPolarHBondContact O-CG 3.37Å; L303-Q307 PolarHBondContact O-N 2.64Å
304	K	84.6	Confident	87.2	Confident	154 Å²	154	83.8 Å²	83.8	67%	0.67	43%	0.433	S	S	*	.	H	α-helix	trans	-62.5	-44.4	175.7	-173.2	177.7	-178.9	-180	0	111.8	S300 V301 T308	S300-K304 PolarHBondContact O-N 3.11Å; S300-K304 VanDerWaalsContact O-N 3.11Å; V301-K304 PolarHBondContact O-N 2.76Å; K304-T308 PolarHBondContact O-N 2.71Å; K304-T308 PolarHBondContact O-OG1 3.03Å
305	H	84	Confident	87.9	Confident	125 Å²	125	84.9 Å²	84.9	58%	0.579	44%	0.437	S	S	*	.	H	α-helix	trans	-62.9	-44.5	175.5	-175.4	70.7	0	0	0	111.6	V301 I302 Q307 T308 V309	V301-H305 WeakPolarHBondContact O-CB 3.11Å; V301-H305 PolarHBondContact O-N 3Å; I302-H305 PolarHBondContact O-N 3.28Å; H305-Q307 PolarHBondContact O-N 3.42Å; H305-T308 WeakPolarHBondContact O-CB 3.43Å; H305-T308 PolarHBondContact O-N 3.03Å; H305-T308 VanDerWaalsContact O-N 3.14Å; H305-V309 WeakPolarHBondContact NE2-CG2 3.33Å; H305-V309 WeakPolarHBondContact O-CG2 3.44Å; H305-V309 PolarHBondContact O-N 2.93Å
306	R	85.4	Confident	88.4	Confident	107 Å²	107	88.7 Å²	88.7	40%	0.404	45%	0.452	S	S	.	.	H	α-helix	trans	-60.3	-44.5	178.8	-179.7	175.3	165.2	82.8	8.1	111.4	I302 L303 T308 V309 V310 L516 G519	I302-R306 WeakPolarHBondContact O-CB 3.36Å; I302-R306 PolarHBondContact O-N 3.1Å; L303-R306 PolarHBondContact O-N 3.45Å; R306-T308 VanDerWaalsContact C-N 3.27Å; R306-T308 PolarHBondContact O-N 2.96Å; R306-V309 PolarHBondContact O-N 3.4Å; R306-V310 HydrophobicContact CG-CG2 3.97Å; R306-V310 WeakPolarHBondContact O-CB 3.3Å; R306-V310 WeakPolarHBondContact O-CG2 3.2Å; R306-V310 PolarHBondContact O-N 2.9Å; R306-L516 PolarHBondContact NH1-O 3.2Å; R306-G519 PolarHBondContact NH1-O 3.41Å
307	Q	87.3	Confident	89	Confident	140 Å²	140	86.8 Å²	86.8	65%	0.654	44%	0.438	S	S	*	.	H	α-helix	trans	-55.6	-44.8	174.9	-74.4	173.4	-7.9	0	0	111.6	L303 H305 H311	L303-Q307 WeakPolarHBondContact O-CG 3.37Å; L303-Q307 PolarHBondContact O-N 2.64Å; H305-Q307 PolarHBondContact O-N 3.42Å; Q307-H311 WeakPolarHBondContact O-CB 3.46Å; Q307-H311 PolarHBondContact O-N 3.24Å
308	T	88.8	Confident	89.5	Confident	69 Å²	69	89.5 Å²	89.5	42%	0.423	44%	0.439	S	S	.	.	H	α-helix	trans	-65.7	-41.8	178.3	-52.7	0	0	0	0	111.9	K304 H305 R306 K312	K304-T308 PolarHBondContact O-N 2.71Å; K304-T308 PolarHBondContact O-OG1 3.03Å; H305-T308 WeakPolarHBondContact O-CB 3.43Å; H305-T308 PolarHBondContact O-N 3.03Å; H305-T308 VanDerWaalsContact O-N 3.14Å; R306-T308 VanDerWaalsContact C-N 3.27Å; R306-T308 PolarHBondContact O-N 2.96Å; T308-K312 HydrophobicContact CG2-CD 4.42Å; T308-K312 WeakPolarHBondContact O-CB 3.31Å; T308-K312 WeakPolarHBondContact O-CG 3.4Å; T308-K312 PolarHBondContact O-N 2.9Å
309	V	88.1	Confident	90.2	Very high	65 Å²	65	90.3 Å²	90.3	39%	0.394	45%	0.446	S	S	.	.	H	α-helix	trans	-66.6	-45	178.2	171.1	0	0	0	0	111.4	H305 R306 K312 A313	H305-V309 WeakPolarHBondContact NE2-CG2 3.33Å; H305-V309 WeakPolarHBondContact O-CG2 3.44Å; H305-V309 PolarHBondContact O-N 2.93Å; R306-V309 PolarHBondContact O-N 3.4Å; V309-K312 PolarHBondContact O-N 3.36Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.16Å
310	V	91	Very high	90.8	Very high	32 Å²	32	87.9 Å²	87.9	19%	0.194	43%	0.433	C	S	.	.	H	α-helix	trans	-60.8	-50.5	177.4	170.8	0	0	0	0	109.8	R306 K312 A313 E314 L516	R306-V310 HydrophobicContact CG-CG2 3.97Å; R306-V310 WeakPolarHBondContact O-CB 3.3Å; R306-V310 WeakPolarHBondContact O-CG2 3.2Å; R306-V310 PolarHBondContact O-N 2.9Å; V310-K312 PolarHBondContact O-N 3.45Å; V310-A313 CarbonylContact O-C 3.54Å; V310-A313 WeakPolarHBondContact O-CA 3.29Å; V310-A313 WeakPolarHBondContact O-CB 3.46Å; V310-A313 PolarHBondContact O-N 2.79Å; V310-E314 HydrophobicContact CG1-CG 4.31Å; V310-E314 WeakPolarHBondContact CG1-OE1 3.44Å; V310-E314 WeakPolarHBondContact O-CG 3.44Å; V310-E314 PolarHBondContact O-N 3.38Å; V310-L516 HydrophobicContact CB-CD2 4.5Å; V310-L516 HydrophobicContact CG2-CD2 3.99Å
311	H	92.8	Very high	91.4	Very high	112 Å²	112	86.7 Å²	86.7	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-58.3	-45.4	178.4	-175.1	63	0	0	0	112.3	Q307 A313 E314 M315	Q307-H311 WeakPolarHBondContact O-CB 3.46Å; Q307-H311 PolarHBondContact O-N 3.24Å; H311-A313 VanDerWaalsContact C-N 3.29Å; H311-A313 PolarHBondContact O-N 2.88Å; H311-E314 PolarHBondContact O-N 3.29Å; H311-M315 WeakPolarHBondContact O-CG 3.28Å; H311-M315 PolarHBondContact O-N 3.47Å
312	K	94	Very high	92	Very high	137 Å²	137	89.3 Å²	89.3	60%	0.596	43%	0.428	S	S	*	.	H	α-helix	trans	-62.3	-34.7	174.8	-75.4	179.2	179.9	-179.2	0	112.8	T308 V309 V310 K316	T308-K312 HydrophobicContact CG2-CD 4.42Å; T308-K312 WeakPolarHBondContact O-CB 3.31Å; T308-K312 WeakPolarHBondContact O-CG 3.4Å; T308-K312 PolarHBondContact O-N 2.9Å; V309-K312 PolarHBondContact O-N 3.36Å; V310-K312 PolarHBondContact O-N 3.45Å; K312-K316 WeakPolarHBondContact O-CG 3.5Å; K312-K316 PolarHBondContact O-N 2.85Å
313	A	94.4	Very high	92.8	Very high	12 Å²	12	88.3 Å²	88.3	10%	0.099	42%	0.424	C	S	.	.	H	α-helix	trans	-71.7	-42.1	177.6	0	0	0	0	0	111.7	V309 V310 H311 K316 L317 I512 L516	V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.16Å; V310-A313 CarbonylContact O-C 3.54Å; V310-A313 WeakPolarHBondContact O-CA 3.29Å; V310-A313 WeakPolarHBondContact O-CB 3.46Å; V310-A313 PolarHBondContact O-N 2.79Å; H311-A313 VanDerWaalsContact C-N 3.29Å; H311-A313 PolarHBondContact O-N 2.88Å; A313-K316 WeakPolarHBondContact O-CB 3.37Å; A313-K316 PolarHBondContact O-N 3.22Å; A313-L317 WeakPolarHBondContact O-CG 3.11Å; A313-L317 PolarHBondContact O-N 3.48Å; A313-I512 HydrophobicContact CB-CG2 3.84Å; A313-L516 HydrophobicContact CB-CD1 4.01Å; A313-L516 HydrophobicContact CB-CD2 3.74Å; A313-L516 HydrophobicContact CB-CG 4.1Å
314	E	95.5	Very high	93.5	Very high	94 Å²	94	86.3 Å²	86.3	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-59.3	-46.9	175.2	-72.4	170.4	168.1	0	0	111.4	V310 H311 K316 L317 Q318	V310-E314 HydrophobicContact CG1-CG 4.31Å; V310-E314 WeakPolarHBondContact CG1-OE1 3.44Å; V310-E314 WeakPolarHBondContact O-CG 3.44Å; V310-E314 PolarHBondContact O-N 3.38Å; H311-E314 PolarHBondContact O-N 3.29Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 3.48Å; E314-L317 PolarHBondContact O-N 3.25Å; E314-L317 VanDerWaalsContact O-N 3.12Å; E314-Q318 WeakPolarHBondContact O-CG 3.49Å; E314-Q318 PolarHBondContact O-N 2.96Å
315	M	97.2	Very high	94.1	Very high	102 Å²	102	83.9 Å²	83.9	50%	0.502	40%	0.401	S	S	.	.	H	α-helix	trans	-58.9	-40.2	175.3	-66.8	-56.6	-62.5	0	0	112	H311 Q318 E319	H311-M315 WeakPolarHBondContact O-CG 3.28Å; H311-M315 PolarHBondContact O-N 3.47Å; M315-Q318 PolarHBondContact O-N 2.78Å; M315-E319 PolarHBondContact O-N 3.41Å; M315-E319 VanDerWaalsContact O-N 3.08Å
316	K	97.3	Very high	94.8	Very high	123 Å²	123	83.4 Å²	83.4	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-67.8	-38.8	175.5	-74.6	-179.3	-179.9	-171.6	0	112.5	K312 A313 E314 E319 L320 I512	K312-K316 WeakPolarHBondContact O-CG 3.5Å; K312-K316 PolarHBondContact O-N 2.85Å; A313-K316 WeakPolarHBondContact O-CB 3.37Å; A313-K316 PolarHBondContact O-N 3.22Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 3.48Å; K316-E319 PolarHBondContact O-N 2.84Å; K316-L320 WeakPolarHBondContact O-CB 3.38Å; K316-L320 VanDerWaalsContact O-CG 3.3Å; K316-L320 WeakPolarHBondContact O-CG 2.96Å; K316-L320 PolarHBondContact O-N 3Å; K316-I512 HydrophobicContact CB-CD1 4.03Å
317	L	97.8	Very high	95.4	Very high	38 Å²	38	79 Å²	79	20%	0.199	38%	0.384	C	S	.	.	H	α-helix	trans	-65.6	-39.6	176.7	-73.8	170.5	0	0	0	111.3	A313 E314 L320 A321 E509 I512 L516	A313-L317 WeakPolarHBondContact O-CG 3.11Å; A313-L317 PolarHBondContact O-N 3.48Å; E314-L317 PolarHBondContact O-N 3.25Å; E314-L317 VanDerWaalsContact O-N 3.12Å; L317-L320 PolarHBondContact O-N 3.35Å; L317-A321 WeakPolarHBondContact O-CB 3.45Å; L317-A321 PolarHBondContact O-N 3.42Å; L317-E509 HydrophobicContact CD2-CB 4.38Å; L317-E509 HydrophobicContact CD2-CG 3.84Å; L317-I512 HydrophobicContact CD1-CG2 3.99Å; L317-I512 HydrophobicContact CD2-CB 4.13Å; L317-I512 HydrophobicContact CD2-CD1 4.12Å; L317-I512 HydrophobicContact CD2-CG2 3.98Å; L317-I512 HydrophobicContact CG-CD1 4.43Å; L317-I512 HydrophobicContact CG-CG2 3.85Å; L317-L516 HydrophobicContact CD1-CD1 4.26Å
318	Q	97.3	Very high	95.9	Very high	124 Å²	124	76.2 Å²	76.2	58%	0.579	37%	0.371	S	S	*	.	H	α-helix	trans	-61.7	-43.7	173.5	-71.3	175.9	0.6	0	0	111.7	E314 M315 A321 R322	E314-Q318 WeakPolarHBondContact O-CG 3.49Å; E314-Q318 PolarHBondContact O-N 2.96Å; M315-Q318 PolarHBondContact O-N 2.78Å; Q318-A321 PolarHBondContact O-N 3.05Å; Q318-R322 PolarHBondContact O-N 3.42Å
319	E	97.5	Very high	96.3	Very high	83 Å²	83	80.1 Å²	80.1	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-65	-40.4	175.9	-179.8	56.4	-161.1	0	0	112.6	M315 K316 A321 R322 T323	M315-E319 PolarHBondContact O-N 3.41Å; M315-E319 VanDerWaalsContact O-N 3.08Å; K316-E319 PolarHBondContact O-N 2.84Å; E319-A321 VanDerWaalsContact C-N 3.34Å; E319-A321 PolarHBondContact O-N 3.11Å; E319-R322 VanDerWaalsContact CD-NH2 3.31Å; E319-R322 PolarHBondContact O-N 2.79Å; E319-R322 IonicContact OE1-CZ 3.2Å; E319-R322 IonicContact OE1-NE 3.87Å; E319-R322 IonicContact OE1-NH2 2.99Å; E319-R322 PolarHBondContact OE1-NH2 3.25Å; E319-R322 IonicContact OE2-CZ 3.91Å; E319-R322 IonicContact OE2-NE 3.41Å; E319-R322 PolarHBondContact OE2-NE 2.98Å; E319-R322 IonicContact OE2-NH2 2.72Å; E319-R322 PolarHBondContact OE2-NH2 3.49Å; E319-R322 VanDerWaalsContact OE2-NH2 3.13Å; E319-T323 WeakPolarHBondContact O-CG2 3.36Å; E319-T323 PolarHBondContact O-N 3.33Å; E319-T323 PolarHBondContact O-OG1 3.11Å
320	L	98.1	Very high	96.8	Very high	21 Å²	21	80.9 Å²	80.9	11%	0.11	37%	0.374	C	S	.	.	H	α-helix	trans	-64	-37.6	173.4	-72.4	177.5	0	0	0	112.3	K316 L317 T323 R324 I505 M508 I512	K316-L320 WeakPolarHBondContact O-CB 3.38Å; K316-L320 VanDerWaalsContact O-CG 3.3Å; K316-L320 WeakPolarHBondContact O-CG 2.96Å; K316-L320 PolarHBondContact O-N 3Å; L317-L320 PolarHBondContact O-N 3.35Å; L320-T323 WeakPolarHBondContact CA-OG1 3.4Å; L320-T323 PolarHBondContact O-OG1 3.2Å; L320-R324 WeakPolarHBondContact O-CB 3.3Å; L320-R324 PolarHBondContact O-N 2.95Å; L320-I505 HydrophobicContact CB-CG2 4.29Å; L320-I505 HydrophobicContact CD2-CG2 4.35Å; L320-M508 HydrophobicContact CD1-CB 3.82Å; L320-M508 HydrophobicContact CD2-CB 4.22Å; L320-M508 HydrophobicContact CD2-CE 3.59Å; L320-M508 HydrophobicContact CD2-SD 4.17Å; L320-I512 HydrophobicContact CD1-CD1 3.6Å
321	A	98	Very high	97	Very high	52 Å²	52	79.9 Å²	79.9	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-40.5	175.4	0	0	0	0	0	111.9	L317 Q318 E319 R324 H325	L317-A321 WeakPolarHBondContact O-CB 3.45Å; L317-A321 PolarHBondContact O-N 3.42Å; Q318-A321 PolarHBondContact O-N 3.05Å; E319-A321 VanDerWaalsContact C-N 3.34Å; E319-A321 PolarHBondContact O-N 3.11Å; A321-R324 PolarHBondContact O-N 3.38Å; A321-H325 PolarHBondContact O-N 2.71Å
322	R	98.1	Very high	97.2	Very high	143 Å²	143	80.7 Å²	80.7	54%	0.54	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-49.8	175.1	-173	179	74	96.3	0.3	111.5	Q318 E319 R324 H325 E326	Q318-R322 PolarHBondContact O-N 3.42Å; E319-R322 VanDerWaalsContact CD-NH2 3.31Å; E319-R322 PolarHBondContact O-N 2.79Å; E319-R322 IonicContact OE1-CZ 3.2Å; E319-R322 IonicContact OE1-NE 3.87Å; E319-R322 IonicContact OE1-NH2 2.99Å; E319-R322 PolarHBondContact OE1-NH2 3.25Å; E319-R322 IonicContact OE2-CZ 3.91Å; E319-R322 IonicContact OE2-NE 3.41Å; E319-R322 PolarHBondContact OE2-NE 2.98Å; E319-R322 IonicContact OE2-NH2 2.72Å; E319-R322 PolarHBondContact OE2-NH2 3.49Å; E319-R322 VanDerWaalsContact OE2-NH2 3.13Å; R322-R324 PolarHBondContact O-N 3Å; R322-H325 PolarHBondContact O-N 2.91Å; R322-E326 PolarHBondContact O-N 3.35Å
323	T	98	Very high	97.2	Very high	25 Å²	25	77.9 Å²	77.9	15%	0.153	36%	0.36	C	S	.	.	H	α-helix	trans	-66.1	-35	178.9	52.1	0	0	0	0	112.7	E319 L320 T327	E319-T323 WeakPolarHBondContact O-CG2 3.36Å; E319-T323 PolarHBondContact O-N 3.33Å; E319-T323 PolarHBondContact O-OG1 3.11Å; L320-T323 WeakPolarHBondContact CA-OG1 3.4Å; L320-T323 PolarHBondContact O-OG1 3.2Å; T323-T327 WeakPolarHBondContact O-CB 3.45Å; T323-T327 PolarHBondContact O-N 2.96Å; T323-T327 PolarHBondContact O-OG1 3.45Å
324	R	98.3	Very high	97.3	Very high	55 Å²	55	77.4 Å²	77.4	21%	0.208	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-54	169.4	174.5	-178.9	-69.8	147.7	1.8	110.7	L320 A321 R322 E326 T327 E328 L502 I505 N506 E509	L320-R324 WeakPolarHBondContact O-CB 3.3Å; L320-R324 PolarHBondContact O-N 2.95Å; A321-R324 PolarHBondContact O-N 3.38Å; R322-R324 PolarHBondContact O-N 3Å; R324-E326 VanDerWaalsContact C-N 3.31Å; R324-E326 PolarHBondContact O-N 3.24Å; R324-T327 WeakPolarHBondContact O-CB 3.43Å; R324-T327 PolarHBondContact O-N 3.3Å; R324-T327 VanDerWaalsContact O-N 3.1Å; R324-E328 HydrophobicContact CG-CG 4.38Å; R324-E328 WeakPolarHBondContact O-CG 3.31Å; R324-E328 PolarHBondContact O-N 3.05Å; R324-L502 HydrophobicContact CG-CD2 3.98Å; R324-I505 HydrophobicContact CB-CG2 4.24Å; R324-N506 PolarHBondContact NH2-OD1 2.82Å; R324-E509 IonicContact CZ-OE2 2.92Å; R324-E509 IonicContact NH1-OE2 3.9Å; R324-E509 PolarHBondContact NH1-OE2 2.82Å; R324-E509 VanDerWaalsContact NH1-OE2 3.11Å; R324-E509 IonicContact NH2-OE2 2.79Å; R324-E509 PolarHBondContact NH2-OE2 3.49Å
325	H	98.3	Very high	97.3	Very high	102 Å²	102	74.3 Å²	74.3	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-38.6	-177.3	-178	64.3	0	0	0	112.5	A321 R322 R329	A321-H325 PolarHBondContact O-N 2.71Å; R322-H325 PolarHBondContact O-N 2.91Å; H325-R329 PolarHBondContact CD2-NH2 3.45Å; H325-R329 PolarHBondContact NE2-NH2 3.16Å; H325-R329 WeakPolarHBondContact O-CB 3.48Å; H325-R329 PolarHBondContact O-N 2.85Å
326	E	98.1	Very high	97.1	Very high	116 Å²	116	75.3 Å²	75.3	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-41.8	173.7	-175.5	174.4	-172.2	0	0	112.3	R322 R324 R329 R330	R322-E326 PolarHBondContact O-N 3.35Å; R324-E326 VanDerWaalsContact C-N 3.31Å; R324-E326 PolarHBondContact O-N 3.24Å; E326-R329 PolarHBondContact O-N 3.25Å; E326-R330 PolarHBondContact O-N 3.32Å
327	T	98	Very high	96.8	Very high	15 Å²	15	70.9 Å²	70.9	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-42.4	177.5	-54.1	0	0	0	0	111.5	T323 R324 R330 L331 L498 R501 L502	T323-T327 WeakPolarHBondContact O-CB 3.45Å; T323-T327 PolarHBondContact O-N 2.96Å; T323-T327 PolarHBondContact O-OG1 3.45Å; R324-T327 WeakPolarHBondContact O-CB 3.43Å; R324-T327 PolarHBondContact O-N 3.3Å; R324-T327 VanDerWaalsContact O-N 3.1Å; T327-R330 PolarHBondContact O-N 3.2Å; T327-L331 PolarHBondContact O-N 3.36Å; T327-L331 VanDerWaalsContact O-N 3.11Å; T327-L498 HydrophobicContact CG2-CB 3.92Å; T327-L498 HydrophobicContact CG2-CD2 3.78Å; T327-L498 HydrophobicContact CG2-CG 4.44Å; T327-L498 WeakPolarHBondContact CG2-O 3.46Å; T327-R501 HydrophobicContact CG2-CB 4.41Å; T327-R501 HydrophobicContact CG2-CG 4.42Å; T327-L502 HydrophobicContact CG2-CD1 4.39Å; T327-L502 HydrophobicContact CG2-CD2 3.92Å; T327-L502 HydrophobicContact CG2-CG 3.75Å
328	E	97.2	Very high	96.6	Very high	81 Å²	81	71.4 Å²	71.4	38%	0.379	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-43.5	175.2	-72.6	171.1	167.6	0	0	111.8	R324 R330 L331 E332 L502	R324-E328 HydrophobicContact CG-CG 4.38Å; R324-E328 WeakPolarHBondContact O-CG 3.31Å; R324-E328 PolarHBondContact O-N 3.05Å; E328-R330 VanDerWaalsContact C-N 3.29Å; E328-R330 PolarHBondContact O-N 3.03Å; E328-L331 WeakPolarHBondContact O-CB 3.46Å; E328-L331 PolarHBondContact O-N 2.74Å; E328-L331 VanDerWaalsContact O-N 3.11Å; E328-E332 PolarHBondContact O-N 3.28Å; E328-L502 HydrophobicContact CG-CD1 4.43Å; E328-L502 HydrophobicContact CG-CD2 4.17Å
329	R	98	Very high	96.5	Very high	150 Å²	150	72.2 Å²	72.2	57%	0.566	33%	0.328	S	S	*	.	H	α-helix	trans	-59.9	-39.7	174.4	-172	-172.2	-57.1	-157.5	-0.6	111.9	H325 E326 L331 E332 E333	H325-R329 PolarHBondContact CD2-NH2 3.45Å; H325-R329 PolarHBondContact NE2-NH2 3.16Å; H325-R329 WeakPolarHBondContact O-CB 3.48Å; H325-R329 PolarHBondContact O-N 2.85Å; E326-R329 PolarHBondContact O-N 3.25Å; R329-L331 VanDerWaalsContact C-N 3.32Å; R329-L331 PolarHBondContact O-N 3.31Å; R329-E332 WeakPolarHBondContact O-CB 3.36Å; R329-E332 PolarHBondContact O-N 3.46Å; R329-E333 PolarHBondContact O-N 3.45Å
330	R	97	Very high	96.1	Very high	82 Å²	82	71.6 Å²	71.6	31%	0.309	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-36.1	176	-175.5	61.3	-178.2	147.3	5.8	111.9	E326 T327 E328 E333 L334 E494 L498	E326-R330 PolarHBondContact O-N 3.32Å; T327-R330 PolarHBondContact O-N 3.2Å; E328-R330 VanDerWaalsContact C-N 3.29Å; E328-R330 PolarHBondContact O-N 3.03Å; R330-E333 VanDerWaalsContact NH1-CG 3.3Å; R330-E333 PolarHBondContact O-N 3.39Å; R330-L334 WeakPolarHBondContact O-CG 3.35Å; R330-L334 PolarHBondContact O-N 3.41Å; R330-E494 IonicContact CZ-OE1 2.77Å; R330-E494 IonicContact CZ-OE2 3.73Å; R330-E494 IonicContact NE-OE1 3.56Å; R330-E494 PolarHBondContact NE-OE1 2.87Å; R330-E494 IonicContact NH2-OE1 3.32Å; R330-E494 PolarHBondContact NH2-OE1 2.72Å; R330-E494 IonicContact NH2-OE2 2.69Å; R330-E494 PolarHBondContact NH2-OE2 3.41Å; R330-L498 HydrophobicContact CB-CD1 4.04Å; R330-L498 HydrophobicContact CB-CD2 4.26Å; R330-L498 HydrophobicContact CG-CD1 3.58Å; R330-L498 HydrophobicContact CG-CD2 4.08Å; R330-L498 HydrophobicContact CG-CG 4.49Å
331	L	96.5	Very high	95.7	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-41.4	172.3	-75.7	168.8	0	0	0	112	T327 E328 R329 L334 D335 Y414 R495 L498 L499 L502	T327-L331 PolarHBondContact O-N 3.36Å; T327-L331 VanDerWaalsContact O-N 3.11Å; E328-L331 WeakPolarHBondContact O-CB 3.46Å; E328-L331 PolarHBondContact O-N 2.74Å; E328-L331 VanDerWaalsContact O-N 3.11Å; R329-L331 VanDerWaalsContact C-N 3.32Å; R329-L331 PolarHBondContact O-N 3.31Å; L331-L334 PolarHBondContact O-N 3.16Å; L331-D335 PolarHBondContact O-N 2.99Å; L331-Y414 HydrophobicContact CD2-CE2 4.07Å; L331-R495 HydrophobicContact CD2-CB 4.13Å; L331-R495 HydrophobicContact CD2-CG 3.95Å; L331-L498 HydrophobicContact CD1-CB 4.49Å; L331-L498 HydrophobicContact CD2-CB 3.9Å; L331-L498 HydrophobicContact CD2-CD1 3.89Å; L331-L498 HydrophobicContact CG-CB 4.02Å; L331-L498 HydrophobicContact CG-CD1 4.02Å; L331-L499 HydrophobicContact CD1-CD2 4.3Å; L331-L502 HydrophobicContact CD1-CD1 3.75Å
332	E	96.1	Very high	95.5	Very high	129 Å²	129	73.1 Å²	73.1	60%	0.603	32%	0.32	S	S	*	.	H	α-helix	trans	-63.8	-40	175.5	-67.8	174.1	174	0	0	112.3	E328 R329 L334 D335 F336	E328-E332 PolarHBondContact O-N 3.28Å; R329-E332 WeakPolarHBondContact O-CB 3.36Å; R329-E332 PolarHBondContact O-N 3.46Å; E332-L334 VanDerWaalsContact C-N 3.35Å; E332-D335 WeakPolarHBondContact O-CB 3.35Å; E332-D335 PolarHBondContact O-N 3.35Å; E332-F336 PolarHBondContact O-N 3.25Å
333	E	95.6	Very high	95.1	Very high	78 Å²	78	69.9 Å²	69.9	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-43.3	173.5	175.9	56.5	-149.9	0	0	111.2	R329 R330 D335 F336 Q337	R329-E333 PolarHBondContact O-N 3.45Å; R330-E333 VanDerWaalsContact NH1-CG 3.3Å; R330-E333 PolarHBondContact O-N 3.39Å; E333-D335 VanDerWaalsContact C-N 3.32Å; E333-D335 PolarHBondContact O-N 3.2Å; E333-F336 WeakPolarHBondContact O-CB 3.36Å; E333-F336 PolarHBondContact O-N 3.31Å; E333-F336 VanDerWaalsContact O-N 3.16Å; E333-Q337 VanDerWaalsContact O-CG 3.32Å; E333-Q337 WeakPolarHBondContact O-CG 3.48Å; E333-Q337 PolarHBondContact O-N 3.06Å; E333-Q337 WeakPolarHBondContact OE1-CG 3.5Å; E333-Q337 PolarHBondContact OE1-NE2 3.3Å
334	L	95.1	Very high	94.7	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-35.3	175.1	-69.8	174.6	0	0	0	112.7	R330 L331 E332 F336 Q337 E338 I491 E494 R495 L498	R330-L334 WeakPolarHBondContact O-CG 3.35Å; R330-L334 PolarHBondContact O-N 3.41Å; L331-L334 PolarHBondContact O-N 3.16Å; E332-L334 VanDerWaalsContact C-N 3.35Å; L334-F336 VanDerWaalsContact C-N 3.33Å; L334-Q337 PolarHBondContact O-N 3.1Å; L334-E338 PolarHBondContact O-N 3.49Å; L334-I491 HydrophobicContact CB-CG2 4.23Å; L334-I491 HydrophobicContact CD2-CG2 4.35Å; L334-E494 HydrophobicContact CD1-CB 3.89Å; L334-E494 HydrophobicContact CD1-CG 3.83Å; L334-R495 HydrophobicContact CB-CG 4.36Å; L334-R495 HydrophobicContact CD1-CG 3.87Å; L334-L498 HydrophobicContact CD1-CD1 3.54Å
335	D	95	Very high	94.3	Very high	29 Å²	29	67.8 Å²	67.8	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-39.6	172.6	-71.8	-11.4	0	0	0	111.7	L331 E332 E333 K339 K413 Y414 R495	L331-D335 PolarHBondContact O-N 2.99Å; E332-D335 WeakPolarHBondContact O-CB 3.35Å; E332-D335 PolarHBondContact O-N 3.35Å; E333-D335 VanDerWaalsContact C-N 3.32Å; E333-D335 PolarHBondContact O-N 3.2Å; D335-K339 WeakPolarHBondContact O-CG 3.48Å; D335-K339 PolarHBondContact O-N 3.1Å; D335-K413 IonicContact OD2-NZ 2.85Å; D335-K413 PolarHBondContact OD2-NZ 2.92Å; D335-Y414 WeakPolarHBondContact OD1-CE1 3.36Å; D335-Y414 PolarHBondContact OD2-OH 3.19Å; D335-R495 IonicContact OD1-CZ 3.24Å; D335-R495 IonicContact OD1-NE 2.71Å; D335-R495 IonicContact OD1-NH2 2.96Å; D335-R495 PolarHBondContact OD1-NH2 3.2Å
336	F	94.5	Very high	93.9	Very high	124 Å²	124	70.4 Å²	70.4	54%	0.544	31%	0.308	S	S	.	.	H	α-helix	trans	-67.2	-43	174.1	-177.2	-101.8	0	0	0	111.8	E332 E333 L334 E338 K339 R340	E332-F336 PolarHBondContact O-N 3.25Å; E333-F336 WeakPolarHBondContact O-CB 3.36Å; E333-F336 PolarHBondContact O-N 3.31Å; E333-F336 VanDerWaalsContact O-N 3.16Å; L334-F336 VanDerWaalsContact C-N 3.33Å; F336-E338 PolarHBondContact O-N 3.47Å; F336-K339 PolarHBondContact O-N 3.22Å; F336-R340 WeakPolarHBondContact O-CB 3.41Å; F336-R340 PolarHBondContact O-N 3.01Å
337	Q	91.2	Very high	93.5	Very high	29 Å²	29	69.4 Å²	69.4	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-44	176.9	-70.1	-178.2	12.1	0	0	112	E333 L334 R340 M341	E333-Q337 VanDerWaalsContact O-CG 3.32Å; E333-Q337 WeakPolarHBondContact O-CG 3.48Å; E333-Q337 PolarHBondContact O-N 3.06Å; E333-Q337 WeakPolarHBondContact OE1-CG 3.5Å; E333-Q337 PolarHBondContact OE1-NE2 3.3Å; L334-Q337 PolarHBondContact O-N 3.1Å; Q337-R340 PolarHBondContact O-N 3.44Å; Q337-M341 VanDerWaalsContact O-CG 3.3Å; Q337-M341 WeakPolarHBondContact O-CG 3.49Å; Q337-M341 PolarHBondContact O-N 3.4Å
338	E	93	Very high	93	Very high	50 Å²	50	68.9 Å²	68.9	23%	0.234	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-49.6	175.3	-175.6	-177.5	-171.9	0	0	111.4	L334 F336 R340 M341 Q342 F488 I491 R495	L334-E338 PolarHBondContact O-N 3.49Å; F336-E338 PolarHBondContact O-N 3.47Å; E338-R340 VanDerWaalsContact C-N 3.32Å; E338-R340 PolarHBondContact O-N 2.88Å; E338-M341 PolarHBondContact O-N 3Å; E338-Q342 HydrophobicContact CG-CG 4.42Å; E338-Q342 WeakPolarHBondContact O-CG 3.47Å; E338-Q342 PolarHBondContact O-N 2.98Å; E338-Q342 PolarHBondContact OE1-NE2 3.42Å; E338-Q342 VanDerWaalsContact OE1-NE2 3.12Å; E338-F488 HydrophobicContact CG-CD1 3.93Å; E338-F488 HydrophobicContact CG-CE1 3.76Å; E338-I491 HydrophobicContact CB-CD1 4.38Å; E338-R495 IonicContact OE2-CZ 3.86Å; E338-R495 IonicContact OE2-NH1 2.64Å; E338-R495 PolarHBondContact OE2-NH1 2.98Å; E338-R495 IonicContact OE2-NH2 2.78Å; E338-R495 PolarHBondContact OE2-NH2 3.01Å
339	K	94	Very high	92.5	Very high	140 Å²	140	67.9 Å²	67.9	61%	0.609	30%	0.301	S	S	*	.	H	α-helix	trans	-59.2	-43.4	179.1	-74.4	173.4	-177.1	173.4	0	111.9	D335 F336 M341 Q342 E343	D335-K339 WeakPolarHBondContact O-CG 3.48Å; D335-K339 PolarHBondContact O-N 3.1Å; F336-K339 PolarHBondContact O-N 3.22Å; K339-M341 VanDerWaalsContact C-N 3.34Å; K339-M341 PolarHBondContact O-N 3.37Å; K339-Q342 PolarHBondContact O-N 3.07Å; K339-E343 WeakPolarHBondContact O-CB 3.48Å; K339-E343 PolarHBondContact O-N 2.91Å
340	R	91	Very high	91.9	Very high	70 Å²	70	64 Å²	64	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-42.9	177.1	-173.7	-179.6	67.5	162.4	7.5	111.6	F336 Q337 E338 E343 W344 F461 T462	F336-R340 WeakPolarHBondContact O-CB 3.41Å; F336-R340 PolarHBondContact O-N 3.01Å; Q337-R340 PolarHBondContact O-N 3.44Å; E338-R340 VanDerWaalsContact C-N 3.32Å; E338-R340 PolarHBondContact O-N 2.88Å; R340-E343 PolarHBondContact O-N 3.16Å; R340-W344 WeakPolarHBondContact O-CB 3.31Å; R340-W344 PolarHBondContact O-N 3.42Å; R340-F461 PolarHBondContact NH2-O 3.35Å; R340-T462 PolarHBondContact NH1-O 3.28Å
341	M	89.5	Confident	91.4	Very high	11 Å²	11	63.8 Å²	63.8	5%	0.054	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-38.9	176.6	-71	-55	-54.9	0	0	112.6	Q337 E338 K339 W344 L345 F464 W483 Q487 F488	Q337-M341 VanDerWaalsContact O-CG 3.3Å; Q337-M341 WeakPolarHBondContact O-CG 3.49Å; Q337-M341 PolarHBondContact O-N 3.4Å; E338-M341 PolarHBondContact O-N 3Å; K339-M341 VanDerWaalsContact C-N 3.34Å; K339-M341 PolarHBondContact O-N 3.37Å; M341-W344 WeakPolarHBondContact O-CB 3.24Å; M341-W344 PolarHBondContact O-N 2.69Å; M341-L345 WeakPolarHBondContact O-CG 3.23Å; M341-L345 PolarHBondContact O-N 2.92Å; M341-F464 HydrophobicContact SD-CE1 4.39Å; M341-W483 HydrophobicContact CE-CH2 3.59Å; M341-W483 HydrophobicContact CE-CZ3 3.43Å; M341-W483 VanDerWaalsContact CE-CZ3 3.43Å; M341-Q487 HydrophobicContact CE-CG 4.16Å; M341-Q487 HydrophobicContact CG-CG 4.44Å; M341-F488 HydrophobicContact CB-CE1 3.88Å; M341-F488 HydrophobicContact CB-CZ 4.02Å
342	Q	92.1	Very high	90.9	Very high	95 Å²	95	67.2 Å²	67.2	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-43.8	174.7	-72.7	174.4	-6.7	0	0	111.5	E338 K339 L345 R346 F488	E338-Q342 HydrophobicContact CG-CG 4.42Å; E338-Q342 WeakPolarHBondContact O-CG 3.47Å; E338-Q342 PolarHBondContact O-N 2.98Å; E338-Q342 PolarHBondContact OE1-NE2 3.42Å; E338-Q342 VanDerWaalsContact OE1-NE2 3.12Å; K339-Q342 PolarHBondContact O-N 3.07Å; Q342-L345 PolarHBondContact O-N 3.36Å; Q342-R346 WeakPolarHBondContact O-CB 3.39Å; Q342-R346 PolarHBondContact O-N 2.61Å; Q342-F488 HydrophobicContact CG-CE1 3.89Å; Q342-F488 HydrophobicContact CG-CZ 3.72Å
343	E	91.3	Very high	90.3	Very high	75 Å²	75	63 Å²	63	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-63.4	-41	176.1	176.4	55.7	-159.8	0	0	111.9	K339 R340 R346 K347	K339-E343 WeakPolarHBondContact O-CB 3.48Å; K339-E343 PolarHBondContact O-N 2.91Å; R340-E343 PolarHBondContact O-N 3.16Å; E343-R346 VanDerWaalsContact CD-NH2 3.32Å; E343-R346 WeakPolarHBondContact O-CB 3.44Å; E343-R346 PolarHBondContact O-N 2.99Å; E343-R346 IonicContact OE1-CZ 3.65Å; E343-R346 IonicContact OE1-NE 2.64Å; E343-R346 IonicContact OE1-NH2 3.53Å; E343-R346 PolarHBondContact OE1-NH2 3.24Å; E343-R346 IonicContact OE2-CZ 2.76Å; E343-R346 IonicContact OE2-NE 3.52Å; E343-R346 PolarHBondContact OE2-NE 3.12Å; E343-R346 IonicContact OE2-NH2 2.71Å; E343-R346 PolarHBondContact OE2-NH2 3.36Å; E343-K347 PolarHBondContact O-N 3.35Å
344	W	89.8	Confident	89.5	Confident	12 Å²	12	61.5 Å²	61.5	5%	0.045	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-51.1	172.6	174.6	-105.6	0	0	0	112.3	R340 M341 R346 K347 A348 G452 P454 F464 S465 V469	R340-W344 WeakPolarHBondContact O-CB 3.31Å; R340-W344 PolarHBondContact O-N 3.42Å; M341-W344 WeakPolarHBondContact O-CB 3.24Å; M341-W344 PolarHBondContact O-N 2.69Å; W344-R346 PolarHBondContact O-N 3.5Å; W344-K347 PolarHBondContact O-N 2.91Å; W344-A348 WeakPolarHBondContact O-CB 3.44Å; W344-A348 PolarHBondContact O-N 2.92Å; W344-G452 PolarHBondContact NE1-O 2.79Å; W344-P454 HydrophobicContact CH2-CB 4.46Å; W344-P454 HydrophobicContact CZ2-CB 3.72Å; W344-P454 HydrophobicContact CZ2-CG 4.48Å; W344-F464 HydrophobicContact CB-CE2 4.38Å; W344-F464 HydrophobicContact CB-CZ 4.21Å; W344-F464 HydrophobicContact CD2-CD2 4.13Å; W344-F464 AromaticContact CD2-CE2 3.37Å; W344-F464 HydrophobicContact CD2-CE2 3.37Å; W344-F464 AromaticContact CD2-CZ 3.97Å; W344-F464 HydrophobicContact CD2-CZ 3.97Å; W344-F464 AromaticContact CE2-CE2 3.83Å; W344-F464 AromaticContact CE3-CD2 3.92Å; W344-F464 HydrophobicContact CE3-CD2 3.92Å; W344-F464 AromaticContact CE3-CE2 3.23Å; W344-F464 HydrophobicContact CE3-CE2 3.23Å; W344-F464 HydrophobicContact CE3-CZ 4.16Å; W344-F464 AromaticContact CG-CE2 3.92Å; W344-F464 HydrophobicContact CG-CE2 3.92Å; W344-F464 HydrophobicContact CG-CZ 4.02Å; W344-F464 AromaticContact CH2-CD2 3.64Å; W344-F464 HydrophobicContact CH2-CD2 3.64Å; W344-F464 AromaticContact CH2-CE2 3.85Å; W344-F464 HydrophobicContact CH2-CE2 3.85Å; W344-F464 AromaticContact CZ2-CD2 3.96Å; W344-F464 HydrophobicContact CZ2-CD2 3.96Å; W344-F464 HydrophobicContact CZ2-CE2 4.07Å; W344-F464 AromaticContact CZ3-CD2 3.63Å; W344-F464 HydrophobicContact CZ3-CD2 3.63Å; W344-F464 AromaticContact CZ3-CE2 3.44Å; W344-F464 HydrophobicContact CZ3-CE2 3.44Å; W344-F464 VanDerWaalsContact CZ3-CE2 3.44Å; W344-S465 WeakPolarHBondContact CH2-O 3.35Å; W344-V469 HydrophobicContact CH2-CG2 3.61Å; W344-V469 HydrophobicContact CZ2-CG2 3.61Å
345	L	89.6	Confident	88.3	Confident	24 Å²	24	64.6 Å²	64.6	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-34.2	178.1	-72.8	170.3	0	0	0	111.8	M341 Q342 S349 W483 D484 F488	M341-L345 WeakPolarHBondContact O-CG 3.23Å; M341-L345 PolarHBondContact O-N 2.92Å; Q342-L345 PolarHBondContact O-N 3.36Å; L345-S349 WeakPolarHBondContact O-CB 3.46Å; L345-S349 PolarHBondContact O-N 3.13Å; L345-S349 PolarHBondContact O-OG 2.99Å; L345-W483 HydrophobicContact CD2-CH2 3.95Å; L345-W483 HydrophobicContact CD2-CZ2 3.63Å; L345-D484 HydrophobicContact CD1-CB 3.91Å; L345-D484 HydrophobicContact CD2-CB 4.01Å; L345-F488 HydrophobicContact CD1-CE2 3.48Å; L345-F488 VanDerWaalsContact CD1-CE2 3.48Å; L345-F488 HydrophobicContact CD1-CZ 3.76Å
346	R	89.9	Confident	86.6	Confident	157 Å²	157	67.4 Å²	67.4	59%	0.592	37%	0.369	S	S	*	.	H	α-helix	trans	-64.1	-47.3	174.7	-170.4	-170.6	69.1	75.4	-1.9	111.6	Q342 E343 W344	Q342-R346 WeakPolarHBondContact O-CB 3.39Å; Q342-R346 PolarHBondContact O-N 2.61Å; E343-R346 VanDerWaalsContact CD-NH2 3.32Å; E343-R346 WeakPolarHBondContact O-CB 3.44Å; E343-R346 PolarHBondContact O-N 2.99Å; E343-R346 IonicContact OE1-CZ 3.65Å; E343-R346 IonicContact OE1-NE 2.64Å; E343-R346 IonicContact OE1-NH2 3.53Å; E343-R346 PolarHBondContact OE1-NH2 3.24Å; E343-R346 IonicContact OE2-CZ 2.76Å; E343-R346 IonicContact OE2-NE 3.52Å; E343-R346 PolarHBondContact OE2-NE 3.12Å; E343-R346 IonicContact OE2-NH2 2.71Å; E343-R346 PolarHBondContact OE2-NH2 3.36Å; W344-R346 PolarHBondContact O-N 3.5Å
347	K	88.5	Confident	84.6	Confident	95 Å²	95	68.9 Å²	68.9	41%	0.413	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-49.4	175	-70.8	-179.8	177.7	-176.6	0	111.3	E343 W344 S349 G350 D466	E343-K347 PolarHBondContact O-N 3.35Å; W344-K347 PolarHBondContact O-N 2.91Å; K347-S349 VanDerWaalsContact C-N 3.35Å; K347-S349 PolarHBondContact O-N 3.31Å; K347-G350 PolarHBondContact O-N 3.38Å; K347-G350 VanDerWaalsContact O-N 3.12Å; K347-D466 IonicContact NZ-OD1 3.22Å; K347-D466 IonicContact NZ-OD2 3.81Å; K347-D466 PolarHBondContact NZ-OD2 3.3Å
348	A	88.1	Confident	82.6	Confident	3 Å²	3	75.9 Å²	75.9	3%	0.025	41%	0.408	C	S	.	.	H	α-helix	trans	-62.2	-40.9	-178.7	0	0	0	0	0	111.9	W344 G350 L351 V450 V469	W344-A348 WeakPolarHBondContact O-CB 3.44Å; W344-A348 PolarHBondContact O-N 2.92Å; A348-G350 PolarHBondContact O-N 2.85Å; A348-G350 VanDerWaalsContact O-N 3.12Å; A348-L351 VanDerWaalsContact O-CB 3.3Å; A348-L351 WeakPolarHBondContact O-CB 3.47Å; A348-L351 PolarHBondContact O-N 2.89Å; A348-V450 HydrophobicContact CB-CG2 4.32Å; A348-V450 WeakPolarHBondContact O-CG2 3.4Å; A348-V469 HydrophobicContact CB-CG1 4.15Å
349	S	87.2	Confident	80.4	Confident	60 Å²	60	78.7 Å²	78.7	42%	0.42	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-18.3	178	-60.8	0	0	0	0	113.6	L345 K347 L351	L345-S349 WeakPolarHBondContact O-CB 3.46Å; L345-S349 PolarHBondContact O-N 3.13Å; L345-S349 PolarHBondContact O-OG 2.99Å; K347-S349 VanDerWaalsContact C-N 3.35Å; K347-S349 PolarHBondContact O-N 3.31Å; S349-L351 VanDerWaalsContact C-N 3.33Å
350	G	85.6	Confident	78.2	Confident	69 Å²	69	76.4 Å²	76.4	71%	0.711	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.5	172.1	0	0	0	0	0	114.4	K347 A348	K347-G350 PolarHBondContact O-N 3.38Å; K347-G350 VanDerWaalsContact O-N 3.12Å; A348-G350 PolarHBondContact O-N 2.85Å; A348-G350 VanDerWaalsContact O-N 3.12Å
351	L	86.9	Confident	75.9	Confident	78 Å²	78	84.2 Å²	84.2	41%	0.408	45%	0.452	S	S	.	.	S	Bend	trans	-81.9	146.7	177.1	-60.9	170.2	0	0	0	110.8	A348 S349 V450 V469 L471	A348-L351 VanDerWaalsContact O-CB 3.3Å; A348-L351 WeakPolarHBondContact O-CB 3.47Å; A348-L351 PolarHBondContact O-N 2.89Å; S349-L351 VanDerWaalsContact C-N 3.33Å; L351-V450 HydrophobicContact CB-CG2 4.49Å; L351-V450 WeakPolarHBondContact O-CG1 3.08Å; L351-V469 HydrophobicContact CD1-CB 4.2Å; L351-V469 HydrophobicContact CD1-CG1 4.19Å; L351-V469 HydrophobicContact CD1-CG2 4.18Å; L351-L471 HydrophobicContact CB-CD2 4.18Å; L351-L471 HydrophobicContact CD1-CD2 4.1Å
352	A	84.1	Confident	73.8	Confident	83 Å²	83	91.5 Å²	91.5	69%	0.686	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-77.4	140.9	175.3	0	0	0	0	0	111.5
353	C	83.8	Confident	71.7	Confident	41 Å²	41	90.5 Å²	90.5	28%	0.277	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-58.9	142.4	171.1	-72.6	0	0	0	0	112	S355 G448 V450 L471	C353-S355 PolarHBondContact O-N 3.42Å; C353-G448 VanDerWaalsContact SG-C 3.52Å; C353-G448 PolarHBondContact SG-O 3.29Å; C353-V450 HydrophobicContact CB-CG1 4.4Å; C353-L471 WeakPolarHBondContact CA-O 3.49Å
354	A	80.4	Confident	69.6	Low	46 Å²	46	96.5 Å²	96.5	38%	0.38	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-60.4	136.5	167.6	0	0	0	0	0	110.2	L471	A354-L471 HydrophobicContact CB-CB 4.02Å; A354-L471 PolarHBondContact N-O 2.98Å
355	S	68.5	Low	67.7	Low	65 Å²	65	101.6 Å²	101.6	46%	0.455	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-61.1	137.3	173.5	-179.4	0	0	0	0	109.8	C353 E357 K358	C353-S355 PolarHBondContact O-N 3.42Å; S355-E357 PolarHBondContact O-N 2.96Å; S355-K358 PolarHBondContact O-N 3.11Å
356	P	58.7	Low	66	Low	88 Å²	88	108.5 Å²	108.5	57%	0.571	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-57.2	-16.8	179.9	21.2	-32.4	0	0	0	114.3	K358 E359	P356-K358 PolarHBondContact O-N 3.01Å; P356-E359 PolarHBondContact O-N 2.67Å
357	E	52.6	Low	64.5	Low	155 Å²	155	109.1 Å²	109.1	72%	0.724	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-66	-17.6	-179.6	-64.3	176.6	169.2	0	0	114.4	S355 S360	S355-E357 PolarHBondContact O-N 2.96Å; E357-S360 PolarHBondContact O-OG 3Å
358	K	49.3	Very low	63.6	Low	177 Å²	177	107.5 Å²	107.5	77%	0.77	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-87.4	-15.3	174.7	-79.3	-173.6	177.2	-178	0	114	S355 P356	S355-K358 PolarHBondContact O-N 3.11Å; P356-K358 PolarHBondContact O-N 3.01Å
359	E	48.1	Very low	62.9	Low	109 Å²	109	113.3 Å²	113.3	51%	0.509	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-24.3	179.6	-69.6	-178	166.6	0	0	112.6	P356 R361 V472	P356-E359 PolarHBondContact O-N 2.67Å; E359-R361 VanDerWaalsContact C-N 3.31Å; E359-R361 PolarHBondContact O-N 3.03Å; E359-V472 WeakPolarHBondContact OE1-CG1 3.38Å; E359-V472 WeakPolarHBondContact OE1-CG2 3.37Å
360	S	46.6	Very low	63	Low	92 Å²	92	115.2 Å²	115.2	64%	0.643	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-8.4	-179.1	48.9	0	0	0	0	114.5	E357	E357-S360 PolarHBondContact O-OG 3Å
361	R	43.9	Very low	63.2	Low	233 Å²	233	115.5 Å²	115.5	88%	0.879	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-0.1	-174.4	-137.5	174.2	176.4	180	-2.4	114.6	E359	E359-R361 VanDerWaalsContact C-N 3.31Å; E359-R361 PolarHBondContact O-N 3.03Å
362	E	44.7	Very low	63.5	Low	164 Å²	164	114.9 Å²	114.9	77%	0.766	62%	0.624	S	S	*	*	S	Bend	trans	-114	47.6	177.3	-66.2	-175.5	178.8	0	0	112
363	T	47.5	Very low	64	Low	75 Å²	75	117 Å²	117	46%	0.46	62%	0.618	S	S	.	*			trans	-157.9	88.2	164.1	46.6	0	0	0	0	111.7
364	E	46.8	Very low	64.5	Low	200 Å²	200	115 Å²	115	94%	0.935	61%	0.605	S	S	*	*			trans	-146.9	37.8	146.1	-74.9	-159.7	168.6	0	0	110.8
365	T	51.7	Low	65	Low	120 Å²	120	118 Å²	118	74%	0.736	62%	0.62	S	S	*	*			trans	-115	101.1	159.5	28.6	0	0	0	0	106.8	E367	T365-E367 PolarHBondContact O-N 3.06Å
366	D	53.9	Low	66.1	Low	169 Å²	169	117.4 Å²	117.4	90%	0.904	61%	0.614	S	S	*	*			trans	-69.1	60	176.8	-166.9	30.1	0	0	0	110
367	E	57.3	Low	67.7	Low	169 Å²	169	115.7 Å²	115.7	79%	0.79	60%	0.603	S	S	*	*			trans	-86.3	120.7	165.5	-64.8	-165.7	174.9	0	0	107	T365 E369	T365-E367 PolarHBondContact O-N 3.06Å; E367-E369 PolarHBondContact O-N 3.43Å
368	G	70.3	Confident	69.6	Low	61 Å²	61	110.7 Å²	110.7	63%	0.629	59%	0.593	S	S	*	*			trans	-42	134.5	-165.7	0	0	0	0	0	114.6	V370	G368-V370 PolarHBondContact O-N 3.3Å
369	E	73.9	Confident	71.7	Confident	126 Å²	126	107.4 Å²	107.4	59%	0.589	58%	0.583	S	S	*	*			trans	-56.7	109.3	179.7	-171.8	173	-162	0	0	110.1	E367 T371 S382	E367-E369 PolarHBondContact O-N 3.43Å; E369-T371 PolarHBondContact O-N 3.21Å; E369-T371 VanDerWaalsContact O-N 3.11Å; E369-S382 VanDerWaalsContact CD-CB 3.42Å; E369-S382 WeakPolarHBondContact OE1-CB 3.27Å; E369-S382 PolarHBondContact OE1-OG 3.46Å
370	V	88.4	Confident	73.9	Confident	99 Å²	99	108.2 Å²	108.2	60%	0.6	59%	0.587	S	S	*	*			trans	-64.6	114.6	177.8	-179.1	0	0	0	0	108.4	G368 I372 D383	G368-V370 PolarHBondContact O-N 3.3Å; V370-I372 HydrophobicContact CG1-CG1 4.35Å; V370-D383 WeakPolarHBondContact O-CB 3.42Å; V370-D383 PolarHBondContact O-N 3.42Å
371	T	90.4	Very high	76.1	Confident	76 Å²	76	104.6 Å²	104.6	47%	0.466	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	139.1	173.4	55.9	0	0	0	0	110.2	E369	E369-T371 PolarHBondContact O-N 3.21Å; E369-T371 VanDerWaalsContact O-N 3.11Å
372	I	92.3	Very high	78.3	Confident	65 Å²	65	94.5 Å²	94.5	33%	0.333	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.3	179.7	-57.8	176.3	0	0	0	107.9	V370 C374 V381 D383 L386	V370-I372 HydrophobicContact CG1-CG1 4.35Å; I372-C374 PolarHBondContact O-N 3.45Å; I372-V381 PolarHBondContact N-O 3.41Å; I372-V381 PolarHBondContact O-N 2.79Å; I372-D383 HydrophobicContact CD1-CB 4.07Å; I372-D383 WeakPolarHBondContact CD1-OD1 3.46Å; I372-L386 HydrophobicContact CB-CD2 4.07Å; I372-L386 HydrophobicContact CD1-CD2 4.03Å; I372-L386 HydrophobicContact CG2-CD2 3.97Å
373	F	94.1	Very high	80.4	Confident	126 Å²	126	91 Å²	91	55%	0.553	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.1	174.6	-66.8	-81.8	0	0	0	110.8	P375 G378 E380	F373-P375 VanDerWaalsContact O-CD 3.28Å; F373-P375 WeakPolarHBondContact O-CD 3.22Å; F373-G378 WeakPolarHBondContact CD1-O 3.41Å; F373-E380 HydrophobicContact CD1-CG 3.69Å; F373-E380 HydrophobicContact CE1-CG 3.22Å; F373-E380 WeakPolarHBondContact CE1-OE1 3.5Å; F373-E380 HydrophobicContact CE2-CG 4.5Å; F373-E380 HydrophobicContact CZ-CG 3.68Å; F373-E380 VanDerWaalsContact CZ-OE1 3.3Å; F373-E380 WeakPolarHBondContact CZ-OE1 3.32Å
374	C	94.1	Very high	82.3	Confident	1 Å²	1	95 Å²	95	1%	0.007	52%	0.519	C	S	.	.			trans	-65	121.2	172.2	174.3	0	0	0	0	110.1	I372 V376 C377 G378 L379 V381 H389	I372-C374 PolarHBondContact O-N 3.45Å; C374-V376 PolarHBondContact O-N 3.5Å; C374-V376 PolarHBondContact SG-N 3.35Å; C374-V376 VanDerWaalsContact SG-N 3.42Å; C374-C377 VanDerWaalsContact CB-SG 3.6Å; C374-C377 PolarHBondContact O-N 3.39Å; C374-C377 VanDerWaalsContact SG-SG 3.63Å; C374-G378 VanDerWaalsContact O-CA 3.29Å; C374-G378 WeakPolarHBondContact O-CA 3.37Å; C374-G378 PolarHBondContact O-N 2.9Å; C374-L379 PolarHBondContact N-O 3.44Å; C374-V381 HydrophobicContact CB-CG2 4.09Å; C374-H389 PolarHBondContact SG-CD2 3.11Å; C374-H389 PolarHBondContact SG-NE2 3.32Å
375	P	91.9	Very high	84.4	Confident	107 Å²	107	88.1 Å²	88.1	70%	0.695	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.8	179.4	-23.7	34.5	0	0	0	114.4	F373 M390	F373-P375 VanDerWaalsContact O-CD 3.28Å; F373-P375 WeakPolarHBondContact O-CD 3.22Å; P375-M390 HydrophobicContact CG-CE 4.32Å
376	V	91.4	Very high	86.2	Confident	54 Å²	54	83.5 Å²	83.5	33%	0.327	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-39.7	-173.4	-177.7	0	0	0	0	112.3	C374 C393 I397	C374-V376 PolarHBondContact O-N 3.5Å; C374-V376 PolarHBondContact SG-N 3.35Å; C374-V376 VanDerWaalsContact SG-N 3.42Å; V376-C393 HydrophobicContact CB-CB 4.38Å; V376-C393 HydrophobicContact CG1-CB 4.23Å; V376-C393 VanDerWaalsContact CG1-SG 3.55Å; V376-I397 HydrophobicContact CG1-CD1 3.43Å; V376-I397 VanDerWaalsContact CG1-CD1 3.43Å; V376-I397 HydrophobicContact CG1-CG1 4.27Å; V376-I397 WeakPolarHBondContact O-CD1 3.45Å
377	C	93.2	Very high	87.9	Confident	52 Å²	52	79.5 Å²	79.5	35%	0.351	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-9.2	-179.8	65.8	0	0	0	0	115	C374 L379 H389 C393	C374-C377 VanDerWaalsContact CB-SG 3.6Å; C374-C377 PolarHBondContact O-N 3.39Å; C374-C377 VanDerWaalsContact SG-SG 3.63Å; C377-L379 HydrophobicContact CB-CG 4.5Å; C377-L379 PolarHBondContact O-N 3.17Å; C377-L379 PolarHBondContact SG-N 3.31Å; C377-H389 PolarHBondContact SG-NE2 2.89Å; C377-C393 WeakPolarHBondContact CB-SG 3.38Å
378	G	92.5	Very high	89.4	Confident	49 Å²	49	74.3 Å²	74.3	51%	0.505	41%	0.412	S	S	.	.			trans	72.5	5.5	-177.5	0	0	0	0	0	115.3	F373 C374	F373-G378 WeakPolarHBondContact CD1-O 3.41Å; C374-G378 VanDerWaalsContact O-CA 3.29Å; C374-G378 WeakPolarHBondContact O-CA 3.37Å; C374-G378 PolarHBondContact O-N 2.9Å
379	L	93.1	Very high	90.5	Very high	108 Å²	108	73.7 Å²	73.7	57%	0.565	39%	0.393	S	S	*	.			trans	-77.5	145.2	175.8	-64.8	172.3	0	0	0	110.8	C374 C377 V381	C374-L379 PolarHBondContact N-O 3.44Å; C377-L379 HydrophobicContact CB-CG 4.5Å; C377-L379 PolarHBondContact O-N 3.17Å; C377-L379 PolarHBondContact SG-N 3.31Å; L379-V381 PolarHBondContact O-N 3.24Å
380	E	92.8	Very high	91.3	Very high	127 Å²	127	70.7 Å²	70.7	59%	0.593	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.6	168	-68.1	179.9	-168.5	0	0	109.6	F373	F373-E380 HydrophobicContact CD1-CG 3.69Å; F373-E380 HydrophobicContact CE1-CG 3.22Å; F373-E380 WeakPolarHBondContact CE1-OE1 3.5Å; F373-E380 HydrophobicContact CE2-CG 4.5Å; F373-E380 HydrophobicContact CZ-CG 3.68Å; F373-E380 VanDerWaalsContact CZ-OE1 3.3Å; F373-E380 WeakPolarHBondContact CZ-OE1 3.32Å
381	V	93	Very high	91.2	Very high	16 Å²	16	67.3 Å²	67.3	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.7	179.5	-176	0	0	0	0	107.4	I372 C374 L379 L386 H389	I372-V381 PolarHBondContact N-O 3.41Å; I372-V381 PolarHBondContact O-N 2.79Å; C374-V381 HydrophobicContact CB-CG2 4.09Å; L379-V381 PolarHBondContact O-N 3.24Å; V381-L386 HydrophobicContact CB-CD1 4.13Å; V381-L386 HydrophobicContact CG1-CD1 4.42Å; V381-H389 HydrophobicContact CG1-CB 3.77Å; V381-H389 HydrophobicContact CG2-CB 4.28Å
382	S	91.6	Very high	91.2	Very high	21 Å²	21	69.5 Å²	69.5	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	141	174	65.4	0	0	0	0	111.7	E369 R384 V385 L386	E369-S382 VanDerWaalsContact CD-CB 3.42Å; E369-S382 WeakPolarHBondContact OE1-CB 3.27Å; E369-S382 PolarHBondContact OE1-OG 3.46Å; S382-R384 PolarHBondContact O-N 2.69Å; S382-R384 VanDerWaalsContact O-N 3.13Å; S382-V385 PolarHBondContact O-N 3.49Å; S382-L386 PolarHBondContact O-N 2.97Å
383	D	88.2	Confident	91.2	Very high	91 Å²	91	67.1 Å²	67.1	49%	0.487	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-50.6	-40.8	-179.3	177.7	62.9	0	0	0	111.8	V370 I372 V385 L386	V370-D383 WeakPolarHBondContact O-CB 3.42Å; V370-D383 PolarHBondContact O-N 3.42Å; I372-D383 HydrophobicContact CD1-CB 4.07Å; I372-D383 WeakPolarHBondContact CD1-OD1 3.46Å; D383-V385 PolarHBondContact O-N 2.91Å; D383-V385 VanDerWaalsContact O-N 3.12Å; D383-L386 WeakPolarHBondContact O-CB 3.22Å; D383-L386 PolarHBondContact O-N 3.38Å
384	R	87.3	Confident	91	Very high	157 Å²	157	62.4 Å²	62.4	59%	0.592	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-56.7	-31.3	178.8	-66	-176.9	178.3	-170.7	0.1	114.2	S382 L478	S382-R384 PolarHBondContact O-N 2.69Å; S382-R384 VanDerWaalsContact O-N 3.13Å; R384-L478 WeakPolarHBondContact O-CB 3.32Å
385	V	90.6	Very high	90.7	Very high	56 Å²	56	63.5 Å²	63.5	34%	0.339	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-113.5	1	-175.2	-164.9	0	0	0	0	111.6	S382 D383 Q387 K388 H389	S382-V385 PolarHBondContact O-N 3.49Å; D383-V385 PolarHBondContact O-N 2.91Å; D383-V385 VanDerWaalsContact O-N 3.12Å; V385-Q387 PolarHBondContact O-N 2.92Å; V385-K388 HydrophobicContact CG1-CB 4.23Å; V385-K388 HydrophobicContact CG1-CD 4.35Å; V385-K388 PolarHBondContact O-N 3.17Å; V385-H389 PolarHBondContact O-N 2.87Å
386	L	89.8	Confident	90.6	Very high	23 Å²	23	64.8 Å²	64.8	12%	0.12	33%	0.334	C	S	.	.	H	α-helix	trans	-54.7	-50.3	-172.1	-178.4	63.1	0	0	0	112.5	I372 V381 S382 D383 K388 H389 M390	I372-L386 HydrophobicContact CB-CD2 4.07Å; I372-L386 HydrophobicContact CD1-CD2 4.03Å; I372-L386 HydrophobicContact CG2-CD2 3.97Å; V381-L386 HydrophobicContact CB-CD1 4.13Å; V381-L386 HydrophobicContact CG1-CD1 4.42Å; S382-L386 PolarHBondContact O-N 2.97Å; D383-L386 WeakPolarHBondContact O-CB 3.22Å; D383-L386 PolarHBondContact O-N 3.38Å; L386-K388 PolarHBondContact O-N 3.02Å; L386-H389 WeakPolarHBondContact O-CB 3.43Å; L386-H389 PolarHBondContact O-N 3.49Å; L386-M390 HydrophobicContact CD1-CG 4.18Å; L386-M390 HydrophobicContact CD1-SD 4.22Å; L386-M390 HydrophobicContact CG-CG 4.36Å; L386-M390 HydrophobicContact CG-SD 3.99Å; L386-M390 WeakPolarHBondContact O-CB 3.41Å; L386-M390 VanDerWaalsContact O-CG 3.31Å; L386-M390 WeakPolarHBondContact O-CG 3.28Å; L386-M390 PolarHBondContact O-N 3.34Å
387	Q	89.2	Confident	90.5	Very high	85 Å²	85	65.9 Å²	65.9	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-43.2	-178.9	-68.4	-173.6	1.5	0	0	113.1	V385 H389 M390 F391 K479 H480 W481	V385-Q387 PolarHBondContact O-N 2.92Å; Q387-H389 VanDerWaalsContact C-N 3.32Å; Q387-H389 PolarHBondContact O-N 3.32Å; Q387-M390 PolarHBondContact O-N 2.71Å; Q387-F391 PolarHBondContact O-N 2.67Å; Q387-K479 PolarHBondContact NE2-O 3.18Å; Q387-K479 PolarHBondContact OE1-O 3.22Å; Q387-H480 VanDerWaalsContact OE1-CA 3.22Å; Q387-W481 HydrophobicContact CB-CB 4.17Å
388	K	89.7	Confident	90.2	Very high	61 Å²	61	66.8 Å²	66.8	27%	0.265	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-39.1	177.3	-176.6	179.4	-177.5	179.9	0	111.1	V385 L386 K392 L478 W481	V385-K388 HydrophobicContact CG1-CB 4.23Å; V385-K388 HydrophobicContact CG1-CD 4.35Å; V385-K388 PolarHBondContact O-N 3.17Å; L386-K388 PolarHBondContact O-N 3.02Å; K388-K392 WeakPolarHBondContact O-CG 3.1Å; K388-K392 PolarHBondContact O-N 2.98Å; K388-L478 HydrophobicContact CD-CD2 3.88Å; K388-W481 HydrophobicContact CB-CD2 4.2Å; K388-W481 HydrophobicContact CB-CG 4.2Å; K388-W481 HydrophobicContact CD-CE3 4.34Å; K388-W481 HydrophobicContact CD-CZ3 4.32Å; K388-W481 HydrophobicContact CG-CD2 4.08Å; K388-W481 HydrophobicContact CG-CE3 4.33Å; K388-W481 HydrophobicContact CG-CZ2 4.42Å
389	H	92.5	Very high	89.8	Confident	47 Å²	47	67.1 Å²	67.1	22%	0.218	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-52	172.3	174.2	97.1	0	0	0	110.5	C374 C377 V381 V385 L386 Q387 F391 K392 C393	C374-H389 PolarHBondContact SG-CD2 3.11Å; C374-H389 PolarHBondContact SG-NE2 3.32Å; C377-H389 PolarHBondContact SG-NE2 2.89Å; V381-H389 HydrophobicContact CG1-CB 3.77Å; V381-H389 HydrophobicContact CG2-CB 4.28Å; V385-H389 PolarHBondContact O-N 2.87Å; L386-H389 WeakPolarHBondContact O-CB 3.43Å; L386-H389 PolarHBondContact O-N 3.49Å; Q387-H389 VanDerWaalsContact C-N 3.32Å; Q387-H389 PolarHBondContact O-N 3.32Å; H389-F391 VanDerWaalsContact C-N 3.31Å; H389-F391 PolarHBondContact O-N 3.35Å; H389-K392 CarbonylContact O-C 3.56Å; H389-K392 PolarHBondContact O-N 3.2Å; H389-K392 VanDerWaalsContact O-N 3.11Å; H389-C393 WeakPolarHBondContact O-CB 3.46Å; H389-C393 PolarHBondContact O-N 2.93Å
390	M	90.2	Very high	89.4	Confident	64 Å²	64	71 Å²	71	32%	0.315	34%	0.338	S	S	.	.	H	α-helix	trans	-55	-45.7	-178.6	-75.3	179.5	69.5	0	0	111.6	P375 L386 Q387 K392 C393 S394	P375-M390 HydrophobicContact CG-CE 4.32Å; L386-M390 HydrophobicContact CD1-CG 4.18Å; L386-M390 HydrophobicContact CD1-SD 4.22Å; L386-M390 HydrophobicContact CG-CG 4.36Å; L386-M390 HydrophobicContact CG-SD 3.99Å; L386-M390 WeakPolarHBondContact O-CB 3.41Å; L386-M390 VanDerWaalsContact O-CG 3.31Å; L386-M390 WeakPolarHBondContact O-CG 3.28Å; L386-M390 PolarHBondContact O-N 3.34Å; Q387-M390 PolarHBondContact O-N 2.71Å; M390-K392 PolarHBondContact O-N 3.04Å; M390-C393 PolarHBondContact O-N 2.63Å; M390-S394 WeakPolarHBondContact O-CB 3.18Å; M390-S394 PolarHBondContact O-N 3.04Å; M390-S394 PolarHBondContact O-OG 3.44Å; M390-S394 VanDerWaalsContact O-OG 3.1Å
391	F	87.4	Confident	89	Confident	27 Å²	27	68.1 Å²	68.1	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-48.7	175.5	176.9	-88.9	0	0	0	112.7	Q387 H389 C393 S394 S395 W481 Q482 Y486	Q387-F391 PolarHBondContact O-N 2.67Å; H389-F391 VanDerWaalsContact C-N 3.31Å; H389-F391 PolarHBondContact O-N 3.35Å; F391-C393 VanDerWaalsContact C-N 3.33Å; F391-S394 PolarHBondContact O-OG 3.25Å; F391-S394 VanDerWaalsContact O-OG 3.06Å; F391-S395 VanDerWaalsContact O-CB 3.27Å; F391-S395 WeakPolarHBondContact O-CB 3.31Å; F391-S395 PolarHBondContact O-N 2.62Å; F391-S395 PolarHBondContact O-OG 2.69Å; F391-W481 AromaticContact CD1-NE1 3.68Å; F391-W481 AromaticContact CG-CD1 3.92Å; F391-W481 AromaticContact CG-NE1 3.73Å; F391-Q482 VanDerWaalsContact CE2-OE1 3.22Å; F391-Y486 HydrophobicContact CB-CE2 4.46Å; F391-Y486 AromaticContact CD2-CE2 3.51Å; F391-Y486 HydrophobicContact CD2-CE2 3.51Å; F391-Y486 AromaticContact CD2-CZ 3.65Å; F391-Y486 WeakPolarHBondContact CD2-OH 3.34Å; F391-Y486 HydrophobicContact CE2-CE2 4.26Å; F391-Y486 HydrophobicContact CG-CE2 4.45Å
392	K	89.8	Confident	88.1	Confident	123 Å²	123	71.1 Å²	71.1	54%	0.535	35%	0.35	S	S	.	.	H	α-helix	trans	-69.6	-35	179.9	-71.7	-177.5	177.5	-169.7	0	111.9	K388 H389 M390 K396	K388-K392 WeakPolarHBondContact O-CG 3.1Å; K388-K392 PolarHBondContact O-N 2.98Å; H389-K392 CarbonylContact O-C 3.56Å; H389-K392 PolarHBondContact O-N 3.2Å; H389-K392 VanDerWaalsContact O-N 3.11Å; M390-K392 PolarHBondContact O-N 3.04Å; K392-K396 VanDerWaalsContact O-CB 3.25Å; K392-K396 WeakPolarHBondContact O-CB 3.44Å; K392-K396 PolarHBondContact O-N 3.37Å
393	C	92.7	Very high	87.5	Confident	15 Å²	15	76.4 Å²	76.4	10%	0.101	37%	0.368	C	S	.	.	H	α-helix	trans	-68	-51.8	-179.5	-169	0	0	0	0	110.5	V376 C377 H389 M390 F391 S395 K396 I397	V376-C393 HydrophobicContact CB-CB 4.38Å; V376-C393 HydrophobicContact CG1-CB 4.23Å; V376-C393 VanDerWaalsContact CG1-SG 3.55Å; C377-C393 WeakPolarHBondContact CB-SG 3.38Å; H389-C393 WeakPolarHBondContact O-CB 3.46Å; H389-C393 PolarHBondContact O-N 2.93Å; M390-C393 PolarHBondContact O-N 2.63Å; F391-C393 VanDerWaalsContact C-N 3.33Å; C393-S395 VanDerWaalsContact C-N 3.33Å; C393-S395 PolarHBondContact O-N 3.28Å; C393-K396 PolarHBondContact O-N 3.08Å; C393-K396 VanDerWaalsContact O-N 3.16Å; C393-I397 WeakPolarHBondContact O-CG1 3.3Å; C393-I397 PolarHBondContact O-N 2.88Å
394	S	89.4	Confident	87.4	Confident	27 Å²	27	73.7 Å²	73.7	19%	0.189	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-44.8	175.3	65.1	0	0	0	0	110.9	M390 F391 K396 I397 E398	M390-S394 WeakPolarHBondContact O-CB 3.18Å; M390-S394 PolarHBondContact O-N 3.04Å; M390-S394 PolarHBondContact O-OG 3.44Å; M390-S394 VanDerWaalsContact O-OG 3.1Å; F391-S394 PolarHBondContact O-OG 3.25Å; F391-S394 VanDerWaalsContact O-OG 3.06Å; S394-K396 VanDerWaalsContact C-N 3.3Å; S394-K396 PolarHBondContact O-N 3.48Å; S394-I397 PolarHBondContact O-N 2.94Å; S394-E398 WeakPolarHBondContact O-CB 3.46Å; S394-E398 WeakPolarHBondContact O-CG 3.36Å; S394-E398 PolarHBondContact O-N 3.47Å
395	S	88.8	Confident	87.5	Confident	24 Å²	24	69 Å²	69	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-57.7	-42.1	176	-63.3	0	0	0	0	112.4	F391 C393 S399	F391-S395 VanDerWaalsContact O-CB 3.27Å; F391-S395 WeakPolarHBondContact O-CB 3.31Å; F391-S395 PolarHBondContact O-N 2.62Å; F391-S395 PolarHBondContact O-OG 2.69Å; C393-S395 VanDerWaalsContact C-N 3.33Å; C393-S395 PolarHBondContact O-N 3.28Å; S395-S399 VanDerWaalsContact O-CB 3.25Å; S395-S399 WeakPolarHBondContact O-CB 3.43Å; S395-S399 PolarHBondContact O-N 2.93Å; S395-S399 PolarHBondContact O-OG 3.29Å
396	K	90	Very high	87.4	Confident	133 Å²	133	71.8 Å²	71.8	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-68.9	-35.8	178.7	-178.6	179.7	179.9	-179.2	0	112.8	K392 C393 S394 S399 R400	K392-K396 VanDerWaalsContact O-CB 3.25Å; K392-K396 WeakPolarHBondContact O-CB 3.44Å; K392-K396 PolarHBondContact O-N 3.37Å; C393-K396 PolarHBondContact O-N 3.08Å; C393-K396 VanDerWaalsContact O-N 3.16Å; S394-K396 VanDerWaalsContact C-N 3.3Å; S394-K396 PolarHBondContact O-N 3.48Å; K396-S399 PolarHBondContact O-OG 3.44Å; K396-R400 WeakPolarHBondContact O-CG 3.06Å
397	I	88	Confident	87.3	Confident	77 Å²	77	73.1 Å²	73.1	40%	0.395	38%	0.379	S	S	.	.	H	α-helix	trans	-73.2	-49.3	175.7	-66.5	-171.1	0	0	0	109.6	V376 C393 S394 S399 R400	V376-I397 HydrophobicContact CG1-CD1 3.43Å; V376-I397 VanDerWaalsContact CG1-CD1 3.43Å; V376-I397 HydrophobicContact CG1-CG1 4.27Å; V376-I397 WeakPolarHBondContact O-CD1 3.45Å; C393-I397 WeakPolarHBondContact O-CG1 3.3Å; C393-I397 PolarHBondContact O-N 2.88Å; S394-I397 PolarHBondContact O-N 2.94Å; I397-S399 VanDerWaalsContact C-N 3.31Å; I397-S399 PolarHBondContact O-N 3.26Å; I397-R400 WeakPolarHBondContact O-CB 3.38Å; I397-R400 PolarHBondContact O-N 3.48Å; I397-R400 VanDerWaalsContact O-N 3.11Å
398	E	86.9	Confident	87.3	Confident	71 Å²	71	71.8 Å²	71.8	33%	0.332	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-41	-178.9	-79.6	-166.9	-170.7	0	0	111.7	S394 R400 V401 R431 P437	S394-E398 WeakPolarHBondContact O-CB 3.46Å; S394-E398 WeakPolarHBondContact O-CG 3.36Å; S394-E398 PolarHBondContact O-N 3.47Å; E398-R400 PolarHBondContact O-N 3.25Å; E398-R400 VanDerWaalsContact O-N 3.12Å; E398-V401 PolarHBondContact O-N 2.8Å; E398-V401 VanDerWaalsContact O-O 3.11Å; E398-R431 PolarHBondContact O-NH2 2.89Å; E398-P437 HydrophobicContact CB-CG 3.7Å
399	S	84.9	Confident	86.9	Confident	57 Å²	57	70.2 Å²	70.2	40%	0.399	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13	179.2	71.4	0	0	0	0	114.8	S395 K396 I397	S395-S399 VanDerWaalsContact O-CB 3.25Å; S395-S399 WeakPolarHBondContact O-CB 3.43Å; S395-S399 PolarHBondContact O-N 2.93Å; S395-S399 PolarHBondContact O-OG 3.29Å; K396-S399 PolarHBondContact O-OG 3.44Å; I397-S399 VanDerWaalsContact C-N 3.31Å; I397-S399 PolarHBondContact O-N 3.26Å
400	R	85.6	Confident	86	Confident	190 Å²	190	76.6 Å²	76.6	72%	0.717	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-28.9	177.2	-69.8	172.9	177.4	-163	-5.2	112.8	K396 I397 E398	K396-R400 WeakPolarHBondContact O-CG 3.06Å; I397-R400 WeakPolarHBondContact O-CB 3.38Å; I397-R400 PolarHBondContact O-N 3.48Å; I397-R400 VanDerWaalsContact O-N 3.11Å; E398-R400 PolarHBondContact O-N 3.25Å; E398-R400 VanDerWaalsContact O-N 3.12Å
401	V	83	Confident	84.6	Confident	65 Å²	65	77.3 Å²	77.3	39%	0.394	41%	0.409	S	S	.	.	S	Bend	trans	-88.3	156	171.8	-170.7	0	0	0	0	106.6	E398 Y403 R431	E398-V401 PolarHBondContact O-N 2.8Å; E398-V401 VanDerWaalsContact O-O 3.11Å; V401-Y403 HydrophobicContact CB-CE2 3.84Å; V401-Y403 HydrophobicContact CG1-CD1 4.42Å; V401-Y403 HydrophobicContact CG1-CD2 4.13Å; V401-Y403 HydrophobicContact CG1-CE1 3.87Å; V401-Y403 HydrophobicContact CG1-CE2 3.56Å; V401-Y403 VanDerWaalsContact CG1-CZ 3.41Å; V401-R431 PolarHBondContact O-NH2 2.75Å
402	S	74.7	Confident	83.6	Confident	79 Å²	79	81.2 Å²	81.2	55%	0.552	44%	0.44	S	S	*	.			trans	-126.9	129	165.9	59.1	0	0	0	0	108.1
403	Y	79.8	Confident	83.2	Confident	133 Å²	133	81.9 Å²	81.9	52%	0.522	44%	0.443	S	S	.	.			trans	-113.6	116.8	179.9	-63.2	-78.8	0	0	0	108.4	V401 K430 R431	V401-Y403 HydrophobicContact CB-CE2 3.84Å; V401-Y403 HydrophobicContact CG1-CD1 4.42Å; V401-Y403 HydrophobicContact CG1-CD2 4.13Å; V401-Y403 HydrophobicContact CG1-CE1 3.87Å; V401-Y403 HydrophobicContact CG1-CE2 3.56Å; V401-Y403 VanDerWaalsContact CG1-CZ 3.41Å; Y403-K430 PolarHBondContact O-N 3.03Å; Y403-R431 HydrophobicContact CD2-CG 4.43Å
404	G	85.5	Confident	83.1	Confident	34 Å²	34	82.4 Å²	82.4	35%	0.351	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	161	175.4	0	0	0	0	0	114.5	Y428	G404-Y428 CarbonylContact C-O 3.52Å; G404-Y428 WeakPolarHBondContact CA-O 3.3Å
405	T	89.4	Confident	83	Confident	57 Å²	57	85.4 Å²	85.4	35%	0.35	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	165.4	177.9	56.6	0	0	0	0	110.2	S407 T427 Y428 K430	T405-S407 VanDerWaalsContact C-N 3.27Å; T405-S407 PolarHBondContact O-N 3.28Å; T405-S407 PolarHBondContact OG1-O 2.98Å; T405-T427 CarbonylContact O-C 3.57Å; T405-T427 VanDerWaalsContact O-CA 3.26Å; T405-T427 WeakPolarHBondContact O-CA 3.49Å; T405-Y428 PolarHBondContact N-O 2.8Å; T405-Y428 VanDerWaalsContact N-O 3.15Å; T405-Y428 PolarHBondContact O-N 3.26Å; T405-K430 HydrophobicContact CG2-CG 4.03Å; T405-K430 WeakPolarHBondContact OG1-CE 3.49Å
406	T	89.1	Confident	83.2	Confident	115 Å²	115	84.5 Å²	84.5	71%	0.706	45%	0.45	S	S	*	.	S	Bend	trans	-74.8	-15.7	178.5	50.1	0	0	0	0	113.7	Y428	T406-Y428 WeakPolarHBondContact O-CE2 3.49Å
407	S	87.1	Confident	83.3	Confident	52 Å²	52	79.5 Å²	79.5	36%	0.364	43%	0.429	S	S	.	.	S	Bend	trans	-120	147.2	177.8	56.7	0	0	0	0	112.2	T405 Y428 K430	T405-S407 VanDerWaalsContact C-N 3.27Å; T405-S407 PolarHBondContact O-N 3.28Å; T405-S407 PolarHBondContact OG1-O 2.98Å; S407-Y428 VanDerWaalsContact C-CD2 3.46Å; S407-K430 PolarHBondContact O-NZ 2.64Å
408	P	87.8	Confident	83.4	Confident	57 Å²	57	76.9 Å²	76.9	37%	0.37	42%	0.418	S	S	.	.			trans	-66	164.6	171.1	31	-35.2	0	0	0	110.4	Y428 K430	P408-Y428 HydrophobicContact CB-CD1 3.94Å; P408-Y428 HydrophobicContact CB-CE1 4.06Å; P408-Y428 HydrophobicContact CB-CG 4.26Å; P408-Y428 HydrophobicContact CG-CE1 4.41Å; P408-K430 VanDerWaalsContact C-NZ 3.29Å
409	S	81.9	Confident	83.6	Confident	28 Å²	28	74.9 Å²	74.9	20%	0.196	41%	0.41	C	S	.	.			trans	-72	135.5	173.9	-41.5	0	0	0	0	108.2	N411 L417 D419 K430	S409-N411 PolarHBondContact O-N 3.42Å; S409-L417 WeakPolarHBondContact OG-CD1 3.33Å; S409-D419 WeakPolarHBondContact CB-OD2 3.23Å; S409-D419 PolarHBondContact N-OD1 2.93Å; S409-D419 PolarHBondContact N-OD2 3.33Å; S409-D419 VanDerWaalsContact N-OD2 3.08Å; S409-D419 VanDerWaalsContact OG-CG 3.28Å; S409-D419 PolarHBondContact OG-OD1 3.13Å; S409-D419 VanDerWaalsContact OG-OD1 3.12Å; S409-D419 PolarHBondContact OG-OD2 2.88Å; S409-K430 PolarHBondContact OG-NZ 3.01Å
410	H	74.8	Confident	83.8	Confident	180 Å²	180	73.6 Å²	73.6	83%	0.833	40%	0.4	S	S	*	.			trans	-75.6	82.6	169.3	-66.4	-84.8	0	0	0	107.6	S412	H410-S412 PolarHBondContact O-N 2.81Å
411	N	60.8	Low	84.1	Confident	79 Å²	79	69.3 Å²	69.3	42%	0.422	39%	0.387	S	S	.	.			trans	-67.4	111.8	-178.9	-81.4	-9.8	0	0	0	110.2	S409 Y414 N415	S409-N411 PolarHBondContact O-N 3.42Å; N411-Y414 PolarHBondContact OD1-O 3.36Å; N411-N415 PolarHBondContact ND2-OD1 3.47Å
412	S	65.5	Low	84.3	Confident	110 Å²	110	68.4 Å²	68.4	77%	0.769	38%	0.38	S	S	*	.	S	Bend	trans	-84.1	-29.1	177.9	63.2	0	0	0	0	113.5	H410	H410-S412 PolarHBondContact O-N 2.81Å
413	K	82.5	Confident	84.9	Confident	136 Å²	136	73.3 Å²	73.3	59%	0.591	39%	0.391	S	S	*	.	S	Bend	trans	-154.5	-36.5	-179.2	-168.6	179.2	173.6	-152.2	0	114.8	D335	D335-K413 IonicContact OD2-NZ 2.85Å; D335-K413 PolarHBondContact OD2-NZ 2.92Å
414	Y	89	Confident	85.2	Confident	26 Å²	26	75.7 Å²	75.7	10%	0.102	40%	0.401	C	S	.	.			trans	-115.1	136.1	-172.9	-52.4	-74.7	0	0	0	112.1	L331 D335 N411 I416 L499	L331-Y414 HydrophobicContact CD2-CE2 4.07Å; D335-Y414 WeakPolarHBondContact OD1-CE1 3.36Å; D335-Y414 PolarHBondContact OD2-OH 3.19Å; N411-Y414 PolarHBondContact OD1-O 3.36Å; Y414-I416 PolarHBondContact O-N 3.48Å; Y414-L499 HydrophobicContact CD2-CD1 3.97Å; Y414-L499 HydrophobicContact CD2-CD2 4.22Å; Y414-L499 HydrophobicContact CD2-CG 4.49Å; Y414-L499 HydrophobicContact CE2-CD2 4.29Å
415	N	88.9	Confident	85.3	Confident	91 Å²	91	77.1 Å²	77.1	49%	0.487	40%	0.4	S	S	.	.			trans	-94.3	67.9	178.3	-169.2	10.5	0	0	0	111.8	N411 L417 R433	N411-N415 PolarHBondContact ND2-OD1 3.47Å; N415-L417 PolarHBondContact OD1-O 3.25Å; N415-R433 PolarHBondContact O-NE 2.95Å
416	I	91.9	Very high	85.2	Confident	4 Å²	4	81.9 Å²	81.9	2%	0.021	42%	0.416	C	S	.	.			trans	-83.3	-42.2	-172.4	-64.1	163.4	0	0	0	111.9	Y414 L432 R433 D492 R495 L496 L499	Y414-I416 PolarHBondContact O-N 3.48Å; I416-L432 HydrophobicContact CG2-CD2 3.64Å; I416-R433 WeakPolarHBondContact O-CB 3.43Å; I416-R433 PolarHBondContact O-N 2.56Å; I416-D492 HydrophobicContact CG1-CB 4.33Å; I416-D492 HydrophobicContact CG2-CB 4.04Å; I416-R495 HydrophobicContact CD1-CB 3.72Å; I416-L496 HydrophobicContact CD1-CB 4.34Å; I416-L496 HydrophobicContact CG2-CB 4.21Å; I416-L499 HydrophobicContact CD1-CD1 3.61Å
417	L	91.3	Very high	85.3	Confident	28 Å²	28	78 Å²	78	15%	0.147	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-89.7	151.7	-174.2	-61.2	176.2	0	0	0	111.3	S409 N415 K430 L496	S409-L417 WeakPolarHBondContact OG-CD1 3.33Å; N415-L417 PolarHBondContact OD1-O 3.25Å; L417-K430 HydrophobicContact CD1-CD 4.11Å; L417-L496 HydrophobicContact CD2-CD2 4.37Å
418	C	90.9	Very high	85.5	Confident	23 Å²	23	78.5 Å²	78.5	16%	0.155	39%	0.387	C	S	.	.			trans	-67.4	-43.6	-175.5	-174.7	0	0	0	0	112.6	S420 C429 R431 C436 H439	C418-S420 PolarHBondContact O-N 3.49Å; C418-S420 PolarHBondContact SG-OG 3.4Å; C418-S420 VanDerWaalsContact SG-OG 3.33Å; C418-C429 HydrophobicContact CB-CB 4.02Å; C418-R431 WeakPolarHBondContact CB-O 3.35Å; C418-R431 PolarHBondContact N-O 3.08Å; C418-C436 HydrophobicContact CB-CB 4.21Å; C418-H439 WeakPolarHBondContact SG-CB 3.4Å
419	D	90.7	Very high	85.7	Confident	29 Å²	29	76.2 Å²	76.2	16%	0.155	37%	0.372	C	S	.	.			trans	46.5	24.2	-179.2	-76.8	-41.7	0	0	0	115.4	S409 F421 Y428 C429 K430	S409-D419 WeakPolarHBondContact CB-OD2 3.23Å; S409-D419 PolarHBondContact N-OD1 2.93Å; S409-D419 PolarHBondContact N-OD2 3.33Å; S409-D419 VanDerWaalsContact N-OD2 3.08Å; S409-D419 VanDerWaalsContact OG-CG 3.28Å; S409-D419 PolarHBondContact OG-OD1 3.13Å; S409-D419 VanDerWaalsContact OG-OD1 3.12Å; S409-D419 PolarHBondContact OG-OD2 2.88Å; D419-F421 PolarHBondContact O-N 3.03Å; D419-Y428 WeakPolarHBondContact O-CD1 3.44Å; D419-C429 WeakPolarHBondContact CA-O 3.46Å; D419-C429 PolarHBondContact N-O 3.46Å; D419-K430 IonicContact OD1-NZ 3.41Å; D419-K430 PolarHBondContact OD1-NZ 3.43Å
420	S	89.2	Confident	86	Confident	29 Å²	29	77.4 Å²	77.4	20%	0.203	37%	0.374	C	S	.	.			trans	-68.5	129	172.1	54.9	0	0	0	0	109.1	C418 N422 Y428 C429 H439	C418-S420 PolarHBondContact O-N 3.49Å; C418-S420 PolarHBondContact SG-OG 3.4Å; C418-S420 VanDerWaalsContact SG-OG 3.33Å; S420-N422 PolarHBondContact O-N 3.19Å; S420-Y428 WeakPolarHBondContact O-CA 3.29Å; S420-C429 PolarHBondContact O-N 3.35Å; S420-C429 WeakPolarHBondContact OG-CB 3.35Å; S420-H439 PolarHBondContact OG-CD2 2.93Å; S420-H439 PolarHBondContact OG-CE1 3.12Å; S420-H439 PolarHBondContact OG-ND1 2.77Å; S420-H439 PolarHBondContact OG-NE2 3.24Å
421	F	91.7	Very high	86.8	Confident	100 Å²	100	69.6 Å²	69.6	44%	0.439	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118	179.6	-177	-108.6	0	0	0	110.7	D419 K423 K426 Y428	D419-F421 PolarHBondContact O-N 3.03Å; F421-K423 HydrophobicContact CD1-CG 4.09Å; F421-K423 HydrophobicContact CE1-CB 4.49Å; F421-K423 HydrophobicContact CE1-CG 4.05Å; F421-K426 HydrophobicContact CZ-CB 4.36Å; F421-Y428 HydrophobicContact CB-CD1 4.11Å; F421-Y428 HydrophobicContact CB-CE1 3.9Å; F421-Y428 HydrophobicContact CD2-CD1 4.1Å; F421-Y428 HydrophobicContact CD2-CD2 4.09Å; F421-Y428 AromaticContact CD2-CE1 3.74Å; F421-Y428 HydrophobicContact CD2-CE1 3.74Å; F421-Y428 AromaticContact CD2-CE2 3.72Å; F421-Y428 HydrophobicContact CD2-CE2 3.72Å; F421-Y428 HydrophobicContact CD2-CG 4.26Å; F421-Y428 AromaticContact CD2-CZ 3.54Å; F421-Y428 HydrophobicContact CE2-CE2 4.05Å; F421-Y428 HydrophobicContact CG-CE1 4.21Å
422	N	88.1	Confident	88.1	Confident	46 Å²	46	66.8 Å²	66.8	25%	0.246	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.1	171.3	-175.8	-17.2	0	0	0	109.8	S420 Y424 N425 K426 T427	S420-N422 PolarHBondContact O-N 3.19Å; N422-Y424 VanDerWaalsContact C-N 3.28Å; N422-Y424 PolarHBondContact O-N 3.49Å; N422-Y424 WeakPolarHBondContact OD1-CB 3.49Å; N422-Y424 PolarHBondContact OD1-N 3.28Å; N422-N425 PolarHBondContact O-N 3.37Å; N422-K426 WeakPolarHBondContact O-CA 3.5Å; N422-K426 PolarHBondContact O-N 2.95Å; N422-T427 WeakPolarHBondContact CB-O 3.19Å; N422-T427 PolarHBondContact N-O 3.12Å; N422-T427 PolarHBondContact O-N 3.02Å
423	K	87.1	Confident	89.4	Confident	182 Å²	182	66.4 Å²	66.4	79%	0.791	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.7	179.3	-65.3	-175	178.1	-174.8	0	113.6	F421	F421-K423 HydrophobicContact CD1-CG 4.09Å; F421-K423 HydrophobicContact CE1-CB 4.49Å; F421-K423 HydrophobicContact CE1-CG 4.05Å
424	Y	86.5	Confident	89.7	Confident	184 Å²	184	61.5 Å²	61.5	72%	0.722	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-42.8	-175.7	179.9	-97.9	0	0	0	112	N422	N422-Y424 VanDerWaalsContact C-N 3.28Å; N422-Y424 PolarHBondContact O-N 3.49Å; N422-Y424 WeakPolarHBondContact OD1-CB 3.49Å; N422-Y424 PolarHBondContact OD1-N 3.28Å
425	N	86.5	Confident	89.7	Confident	64 Å²	64	61.9 Å²	61.9	34%	0.342	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.8	179.9	-72.3	-21.3	0	0	0	113.7	N422 T427	N422-N425 PolarHBondContact O-N 3.37Å; N425-T427 HydrophobicContact CB-CG2 4.34Å; N425-T427 WeakPolarHBondContact CB-OG1 3.28Å; N425-T427 PolarHBondContact O-N 3.15Å
426	K	87.8	Confident	89.8	Confident	156 Å²	156	57.6 Å²	57.6	68%	0.678	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.4	-170.8	-60	-179.9	-180	-179.7	0	112.3	F421 N422	F421-K426 HydrophobicContact CZ-CB 4.36Å; N422-K426 WeakPolarHBondContact O-CA 3.5Å; N422-K426 PolarHBondContact O-N 2.95Å
427	T	91.2	Very high	89.5	Confident	34 Å²	34	59.1 Å²	59.1	21%	0.209	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.4	-178.7	53.2	0	0	0	0	112	T405 N422 N425	T405-T427 CarbonylContact O-C 3.57Å; T405-T427 VanDerWaalsContact O-CA 3.26Å; T405-T427 WeakPolarHBondContact O-CA 3.49Å; N422-T427 WeakPolarHBondContact CB-O 3.19Å; N422-T427 PolarHBondContact N-O 3.12Å; N422-T427 PolarHBondContact O-N 3.02Å; N425-T427 HydrophobicContact CB-CG2 4.34Å; N425-T427 WeakPolarHBondContact CB-OG1 3.28Å; N425-T427 PolarHBondContact O-N 3.15Å
428	Y	91.9	Very high	89.1	Confident	63 Å²	63	61.6 Å²	61.6	25%	0.247	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.7	173.1	-65.4	-92.8	0	0	0	109.9	G404 T405 T406 S407 P408 D419 S420 F421 K430	G404-Y428 CarbonylContact C-O 3.52Å; G404-Y428 WeakPolarHBondContact CA-O 3.3Å; T405-Y428 PolarHBondContact N-O 2.8Å; T405-Y428 VanDerWaalsContact N-O 3.15Å; T405-Y428 PolarHBondContact O-N 3.26Å; T406-Y428 WeakPolarHBondContact O-CE2 3.49Å; S407-Y428 VanDerWaalsContact C-CD2 3.46Å; P408-Y428 HydrophobicContact CB-CD1 3.94Å; P408-Y428 HydrophobicContact CB-CE1 4.06Å; P408-Y428 HydrophobicContact CB-CG 4.26Å; P408-Y428 HydrophobicContact CG-CE1 4.41Å; D419-Y428 WeakPolarHBondContact O-CD1 3.44Å; S420-Y428 WeakPolarHBondContact O-CA 3.29Å; F421-Y428 HydrophobicContact CB-CD1 4.11Å; F421-Y428 HydrophobicContact CB-CE1 3.9Å; F421-Y428 HydrophobicContact CD2-CD1 4.1Å; F421-Y428 HydrophobicContact CD2-CD2 4.09Å; F421-Y428 AromaticContact CD2-CE1 3.74Å; F421-Y428 HydrophobicContact CD2-CE1 3.74Å; F421-Y428 AromaticContact CD2-CE2 3.72Å; F421-Y428 HydrophobicContact CD2-CE2 3.72Å; F421-Y428 HydrophobicContact CD2-CG 4.26Å; F421-Y428 AromaticContact CD2-CZ 3.54Å; F421-Y428 HydrophobicContact CE2-CE2 4.05Å; F421-Y428 HydrophobicContact CG-CE1 4.21Å; Y428-K430 PolarHBondContact O-N 3.49Å
429	C	91.2	Very high	88.9	Confident	9 Å²	9	63.8 Å²	63.8	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.4	-178.1	-173.2	0	0	0	0	112.2	C418 D419 S420 C436	C418-C429 HydrophobicContact CB-CB 4.02Å; D419-C429 WeakPolarHBondContact CA-O 3.46Å; D419-C429 PolarHBondContact N-O 3.46Å; S420-C429 PolarHBondContact O-N 3.35Å; S420-C429 WeakPolarHBondContact OG-CB 3.35Å; C429-C436 VanDerWaalsContact SG-SG 3.63Å
430	K	89.3	Confident	88.6	Confident	52 Å²	52	63.9 Å²	63.9	23%	0.226	30%	0.296	C	S	.	.			trans	-103.3	18.3	178.8	-64.4	-58.9	179.4	-167.3	0	114.9	Y403 T405 S407 P408 S409 L417 D419 Y428	Y403-K430 PolarHBondContact O-N 3.03Å; T405-K430 HydrophobicContact CG2-CG 4.03Å; T405-K430 WeakPolarHBondContact OG1-CE 3.49Å; S407-K430 PolarHBondContact O-NZ 2.64Å; P408-K430 VanDerWaalsContact C-NZ 3.29Å; S409-K430 PolarHBondContact OG-NZ 3.01Å; L417-K430 HydrophobicContact CD1-CD 4.11Å; D419-K430 IonicContact OD1-NZ 3.41Å; D419-K430 PolarHBondContact OD1-NZ 3.43Å; Y428-K430 PolarHBondContact O-N 3.49Å
431	R	90	Very high	87.9	Confident	16 Å²	16	71.4 Å²	71.4	6%	0.06	33%	0.325	C	S	.	.	S	Bend	trans	-77.1	159.8	168.4	-66.6	-169	178.3	116.9	14	110.7	E398 V401 Y403 C418 R433 C436 E438	E398-R431 PolarHBondContact O-NH2 2.89Å; V401-R431 PolarHBondContact O-NH2 2.75Å; Y403-R431 HydrophobicContact CD2-CG 4.43Å; C418-R431 WeakPolarHBondContact CB-O 3.35Å; C418-R431 PolarHBondContact N-O 3.08Å; R431-R433 PolarHBondContact O-N 2.83Å; R431-C436 HydrophobicContact CB-CB 4.04Å; R431-E438 IonicContact CZ-OE1 2.73Å; R431-E438 IonicContact NH1-OE1 2.68Å; R431-E438 PolarHBondContact NH1-OE1 3.09Å; R431-E438 IonicContact NH1-OE2 3.71Å; R431-E438 IonicContact NH2-OE1 2.82Å
432	L	89.9	Confident	86.6	Confident	20 Å²	20	70.7 Å²	70.7	11%	0.105	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-57.1	130	168.4	-63.3	176	0	0	0	110.2	I416 L434 I435 C436 M493 L496	I416-L432 HydrophobicContact CG2-CD2 3.64Å; L432-L434 VanDerWaalsContact C-N 3.26Å; L432-L434 PolarHBondContact O-N 3.12Å; L432-I435 HydrophobicContact CB-CG1 3.78Å; L432-I435 HydrophobicContact CD1-CD1 3.76Å; L432-I435 HydrophobicContact CD1-CG1 3.86Å; L432-I435 HydrophobicContact CG-CG1 4.42Å; L432-I435 PolarHBondContact O-N 3.18Å; L432-C436 WeakPolarHBondContact O-CA 3.36Å; L432-C436 WeakPolarHBondContact O-CB 3.45Å; L432-C436 PolarHBondContact O-N 2.71Å; L432-M493 HydrophobicContact CD1-CG 3.4Å; L432-M493 HydrophobicContact CD1-SD 3.53Å; L432-M493 VanDerWaalsContact CD1-SD 3.53Å; L432-M493 HydrophobicContact CD2-CG 4.28Å; L432-M493 HydrophobicContact CD2-SD 3.88Å; L432-M493 HydrophobicContact CG-CG 4.4Å; L432-M493 HydrophobicContact CG-SD 4.06Å; L432-L496 HydrophobicContact CD2-CD2 4.43Å
433	R	90.9	Very high	85.7	Confident	103 Å²	103	76.6 Å²	76.6	39%	0.389	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-45.7	-179.1	-175	-179.7	67.4	86.9	2.4	111.7	N415 I416 R431	N415-R433 PolarHBondContact O-NE 2.95Å; I416-R433 WeakPolarHBondContact O-CB 3.43Å; I416-R433 PolarHBondContact O-N 2.56Å; R431-R433 PolarHBondContact O-N 2.83Å
434	L	90.1	Very high	84.8	Confident	33 Å²	33	77.8 Å²	77.8	17%	0.173	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-33.6	-173.4	-69.4	175.9	0	0	0	113.2	L432 R485 F488 A489 D492	L432-L434 VanDerWaalsContact C-N 3.26Å; L432-L434 PolarHBondContact O-N 3.12Å; L434-R485 PolarHBondContact O-NE 3.42Å; L434-R485 PolarHBondContact O-NH2 3.31Å; L434-F488 VanDerWaalsContact CD1-C 3.47Å; L434-F488 HydrophobicContact CD1-CB 3.41Å; L434-F488 VanDerWaalsContact CD1-CB 3.41Å; L434-A489 HydrophobicContact CB-CB 4.09Å; L434-A489 HydrophobicContact CD1-CB 4.48Å; L434-D492 WeakPolarHBondContact CD1-OD2 3.41Å
435	I	88.9	Confident	84.2	Confident	34 Å²	34	71.1 Å²	71.1	17%	0.174	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	5.8	-178.1	59.9	166.1	0	0	0	114.4	L432 P437 Y486 A489	L432-I435 HydrophobicContact CB-CG1 3.78Å; L432-I435 HydrophobicContact CD1-CD1 3.76Å; L432-I435 HydrophobicContact CD1-CG1 3.86Å; L432-I435 HydrophobicContact CG-CG1 4.42Å; L432-I435 PolarHBondContact O-N 3.18Å; I435-P437 WeakPolarHBondContact O-CD 3.4Å; I435-P437 VanDerWaalsContact O-N 3.08Å; I435-Y486 HydrophobicContact CG2-CD1 4.42Å; I435-Y486 HydrophobicContact CG2-CE1 4.42Å; I435-A489 HydrophobicContact CG2-CB 3.62Å
436	C	89.8	Confident	83.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.349	C	S	.	.			trans	-57.6	110.3	-177.4	178.6	0	0	0	0	112.8	C418 C429 R431 L432 E438 H439 S440	C418-C436 HydrophobicContact CB-CB 4.21Å; C429-C436 VanDerWaalsContact SG-SG 3.63Å; R431-C436 HydrophobicContact CB-CB 4.04Å; L432-C436 WeakPolarHBondContact O-CA 3.36Å; L432-C436 WeakPolarHBondContact O-CB 3.45Å; L432-C436 PolarHBondContact O-N 2.71Å; C436-E438 PolarHBondContact O-N 2.85Å; C436-H439 PolarHBondContact O-N 3.23Å; C436-H439 PolarHBondContact SG-ND1 3.46Å; C436-S440 WeakPolarHBondContact O-CB 3.36Å; C436-S440 PolarHBondContact O-N 3.45Å; C436-S440 PolarHBondContact O-OG 3.18Å
437	P	86.6	Confident	83.1	Confident	36 Å²	36	70.7 Å²	70.7	23%	0.234	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.2	-172.9	-25.3	34.1	0	0	0	114.9	E398 I435	E398-P437 HydrophobicContact CB-CG 3.7Å; I435-P437 WeakPolarHBondContact O-CD 3.4Å; I435-P437 VanDerWaalsContact O-N 3.08Å
438	E	83.2	Confident	82.6	Confident	81 Å²	81	71.3 Å²	71.3	38%	0.379	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-31.1	-175.7	-70.3	169.9	-152.2	0	0	113.1	R431 C436	R431-E438 IonicContact CZ-OE1 2.73Å; R431-E438 IonicContact NH1-OE1 2.68Å; R431-E438 PolarHBondContact NH1-OE1 3.09Å; R431-E438 IonicContact NH1-OE2 3.71Å; R431-E438 IonicContact NH2-OE1 2.82Å; C436-E438 PolarHBondContact O-N 2.85Å
439	H	86.9	Confident	82.3	Confident	68 Å²	68	69.8 Å²	69.8	32%	0.315	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-13.9	-163.4	-57.8	109.8	0	0	0	114	C418 S420 C436 K441	C418-H439 WeakPolarHBondContact SG-CB 3.4Å; S420-H439 PolarHBondContact OG-CD2 2.93Å; S420-H439 PolarHBondContact OG-CE1 3.12Å; S420-H439 PolarHBondContact OG-ND1 2.77Å; S420-H439 PolarHBondContact OG-NE2 3.24Å; C436-H439 PolarHBondContact O-N 3.23Å; C436-H439 PolarHBondContact SG-ND1 3.46Å; H439-K441 PolarHBondContact O-N 3.46Å
440	S	84.2	Confident	82.3	Confident	31 Å²	31	69.5 Å²	69.5	22%	0.217	36%	0.362	C	S	.	.			trans	-70.3	104.3	168.5	68.2	0	0	0	0	108.3	C436 S442 R485	C436-S440 WeakPolarHBondContact O-CB 3.36Å; C436-S440 PolarHBondContact O-N 3.45Å; C436-S440 PolarHBondContact O-OG 3.18Å; S440-S442 PolarHBondContact O-N 3.04Å; S440-R485 PolarHBondContact OG-NH2 2.77Å
441	K	73.3	Confident	82.3	Confident	188 Å²	188	67.1 Å²	67.1	82%	0.817	35%	0.352	S	S	*	.			trans	-72.3	122	168	-67.6	177.7	-177.1	174.8	0	106.6	H439 E443	H439-K441 PolarHBondContact O-N 3.46Å; K441-E443 VanDerWaalsContact C-N 3.34Å; K441-E443 PolarHBondContact O-N 3.01Å
442	S	66	Low	82.3	Confident	84 Å²	84	66.4 Å²	66.4	59%	0.587	35%	0.35	S	S	*	.			trans	-60.6	103.8	163.4	53.3	0	0	0	0	106.5	S440 K444	S440-S442 PolarHBondContact O-N 3.04Å; S442-K444 PolarHBondContact O-N 3.48Å
443	E	67.5	Low	82.2	Confident	170 Å²	170	68.2 Å²	68.2	79%	0.794	36%	0.355	S	S	*	.			trans	-49.8	135.5	173.2	-72.3	178.2	176.9	0	0	108.1	K441 I445	K441-E443 VanDerWaalsContact C-N 3.34Å; K441-E443 PolarHBondContact O-N 3.01Å; E443-I445 VanDerWaalsContact C-N 3.27Å; E443-I445 PolarHBondContact O-N 3.23Å
444	K	69	Low	82.1	Confident	207 Å²	207	63.3 Å²	63.3	90%	0.9	34%	0.337	S	S	*	.			trans	-66	94.5	-179.3	-71	-177.4	179.5	179.7	0	107.5	S442 A446	S442-K444 PolarHBondContact O-N 3.48Å; K444-A446 PolarHBondContact O-N 2.83Å
445	I	73	Confident	81.8	Confident	45 Å²	45	66.8 Å²	66.8	23%	0.231	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-56	127.7	175.4	-60.5	166	0	0	0	107	E443 V449 K474 K475	E443-I445 VanDerWaalsContact C-N 3.27Å; E443-I445 PolarHBondContact O-N 3.23Å; I445-V449 HydrophobicContact CG2-CB 3.96Å; I445-V449 HydrophobicContact CG2-CG2 4.32Å; I445-K474 HydrophobicContact CD1-CD 3.99Å; I445-K474 HydrophobicContact CD1-CG 4.05Å; I445-K474 HydrophobicContact CG1-CD 4.43Å; I445-K474 HydrophobicContact CG2-CB 4.19Å; I445-K474 HydrophobicContact CG2-CD 4.13Å; I445-K474 HydrophobicContact CG2-CG 4.48Å; I445-K475 HydrophobicContact CB-CG 4.19Å; I445-K475 HydrophobicContact CD1-CG 4.42Å; I445-K475 HydrophobicContact CG2-CG 4.21Å; I445-K475 WeakPolarHBondContact O-CE 3.4Å; I445-K475 PolarHBondContact O-NZ 3.36Å
446	A	75.9	Confident	81.5	Confident	65 Å²	65	68.1 Å²	68.1	54%	0.537	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-64.4	146	176.2	0	0	0	0	0	110.4	K444 G448 V449	K444-A446 PolarHBondContact O-N 2.83Å; A446-G448 PolarHBondContact O-N 2.93Å; A446-V449 HydrophobicContact CB-CG2 4.04Å; A446-V449 PolarHBondContact O-N 2.81Å
447	D	75.7	Confident	80.9	Confident	145 Å²	145	70 Å²	70	78%	0.775	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	117.7	174.2	-65.8	-37.2	0	0	0	108.4	K475	D447-K475 IonicContact OD1-NZ 3.79Å; D447-K475 PolarHBondContact OD1-NZ 3.11Å
448	G	81.2	Confident	80.4	Confident	47 Å²	47	70.5 Å²	70.5	49%	0.485	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.1	-7.6	-175.7	0	0	0	0	0	115.4	C353 A446 V450	C353-G448 VanDerWaalsContact SG-C 3.52Å; C353-G448 PolarHBondContact SG-O 3.29Å; A446-G448 PolarHBondContact O-N 2.93Å; G448-V450 PolarHBondContact O-N 3.34Å
449	V	86.4	Confident	79.9	Confident	32 Å²	32	76.6 Å²	76.6	19%	0.194	40%	0.399	C	S	.	.			trans	-73.9	124.3	173.1	-178.6	0	0	0	0	109.7	I445 A446 K474	I445-V449 HydrophobicContact CG2-CB 3.96Å; I445-V449 HydrophobicContact CG2-CG2 4.32Å; A446-V449 HydrophobicContact CB-CG2 4.04Å; A446-V449 PolarHBondContact O-N 2.81Å; V449-K474 HydrophobicContact CG1-CB 4.48Å; V449-K474 HydrophobicContact CG1-CD 4.12Å; V449-K474 WeakPolarHBondContact O-CB 2.74Å; V449-K474 PolarHBondContact O-N 2.83Å
450	V	90.1	Very high	79	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.018	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-69.6	156	174.2	-61.6	0	0	0	0	111.6	A348 L351 C353 G448 G452 V472	A348-V450 HydrophobicContact CB-CG2 4.32Å; A348-V450 WeakPolarHBondContact O-CG2 3.4Å; L351-V450 HydrophobicContact CB-CG2 4.49Å; L351-V450 WeakPolarHBondContact O-CG1 3.08Å; C353-V450 HydrophobicContact CB-CG1 4.4Å; G448-V450 PolarHBondContact O-N 3.34Å; V450-G452 VanDerWaalsContact C-N 3.28Å; V450-G452 PolarHBondContact O-N 3.15Å; V450-V472 CarbonylContact C-O 3.58Å
451	C	89.9	Confident	78.2	Confident	1 Å²	1	79 Å²	79	1%	0.007	42%	0.416	C	S	.	.			trans	-55.4	-45.7	173.4	171.4	0	0	0	0	111.1	W453 C470 V472 C477 H480 W483	C451-W453 VanDerWaalsContact C-N 3.27Å; C451-W453 PolarHBondContact O-N 3.42Å; C451-C470 HydrophobicContact CB-CB 4.01Å; C451-V472 WeakPolarHBondContact CB-O 3.35Å; C451-V472 PolarHBondContact N-O 3.24Å; C451-C477 HydrophobicContact CB-CB 3.92Å; C451-C477 VanDerWaalsContact SG-SG 3.67Å; C451-H480 VanDerWaalsContact SG-CB 3.51Å; C451-W483 PolarHBondContact O-NE1 2.99Å; C451-W483 VanDerWaalsContact SG-CD1 3.6Å
452	G	89	Confident	78.1	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.01	40%	0.397	C	S	.	.			trans	76.4	7.2	174.9	0	0	0	0	0	114.9	W344 V450 C470 W483	W344-G452 PolarHBondContact NE1-O 2.79Å; V450-G452 VanDerWaalsContact C-N 3.28Å; V450-G452 PolarHBondContact O-N 3.15Å; G452-C470 PolarHBondContact N-O 3.48Å; G452-W483 VanDerWaalsContact C-CZ2 3.49Å; G452-W483 VanDerWaalsContact O-CZ2 3.28Å; G452-W483 WeakPolarHBondContact O-CZ2 3.26Å
453	W	89.1	Confident	78.4	Confident	58 Å²	58	73 Å²	73	22%	0.22	40%	0.395	C	S	.	.			trans	-63.1	128.4	176.3	177	-87.3	0	0	0	110.6	C451 L455 L457 F461 V469 C470 H480 W483	C451-W453 VanDerWaalsContact C-N 3.27Å; C451-W453 PolarHBondContact O-N 3.42Å; W453-L455 PolarHBondContact O-N 2.75Å; W453-L457 HydrophobicContact CH2-CD2 3.97Å; W453-L457 HydrophobicContact CZ2-CD2 3.78Å; W453-F461 HydrophobicContact CH2-CE1 4.18Å; W453-V469 CarbonylContact O-C 3.58Å; W453-C470 HydrophobicContact CB-CB 3.89Å; W453-C470 PolarHBondContact O-N 3.16Å; W453-H480 HydrophobicContact CB-CB 4.05Å; W453-H480 AromaticContact CD1-CD2 3.65Å; W453-H480 AromaticContact CD1-CE1 3.71Å; W453-H480 AromaticContact CD1-NE2 3.39Å; W453-H480 HydrophobicContact CD2-CB 4.46Å; W453-H480 AromaticContact CD2-CD2 3.62Å; W453-H480 AromaticContact CE2-CD2 3.92Å; W453-H480 HydrophobicContact CE3-CB 4.46Å; W453-H480 HydrophobicContact CG-CB 4.3Å; W453-H480 AromaticContact CG-CD2 3.48Å; W453-H480 VanDerWaalsContact CG-CD2 3.48Å; W453-H480 AromaticContact CG-CE1 3.9Å; W453-H480 AromaticContact CG-CG 3.64Å; W453-H480 AromaticContact CG-ND1 3.89Å; W453-H480 AromaticContact CG-NE2 3.69Å; W453-H480 AromaticContact NE1-CD2 3.89Å; W453-H480 AromaticContact NE1-NE2 3.71Å; W453-W483 HydrophobicContact CB-CD2 4.48Å; W453-W483 HydrophobicContact CD2-CD2 4.4Å; W453-W483 HydrophobicContact CD2-CG 4.47Å; W453-W483 HydrophobicContact CE3-CB 3.59Å; W453-W483 AromaticContact CE3-CD2 3.36Å; W453-W483 HydrophobicContact CE3-CD2 3.36Å; W453-W483 AromaticContact CE3-CE3 3.45Å; W453-W483 HydrophobicContact CE3-CE3 3.45Å; W453-W483 VanDerWaalsContact CE3-CE3 3.45Å; W453-W483 AromaticContact CE3-CG 3.42Å; W453-W483 HydrophobicContact CE3-CG 3.42Å; W453-W483 VanDerWaalsContact CE3-CG 3.42Å; W453-W483 HydrophobicContact CE3-CZ3 4.24Å; W453-W483 HydrophobicContact CZ3-CB 3.76Å; W453-W483 AromaticContact CZ3-CD2 3.95Å; W453-W483 HydrophobicContact CZ3-CD2 3.95Å; W453-W483 AromaticContact CZ3-CE3 3.66Å; W453-W483 HydrophobicContact CZ3-CE3 3.66Å; W453-W483 HydrophobicContact CZ3-CG 4.02Å; W453-W483 HydrophobicContact CZ3-CZ3 4.49Å
454	P	87.7	Confident	78.8	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-69.8	113.6	171.8	25.1	-28.1	0	0	0	110.3	W344 D456 L457 F464 S468	W344-P454 HydrophobicContact CH2-CB 4.46Å; W344-P454 HydrophobicContact CZ2-CB 3.72Å; W344-P454 HydrophobicContact CZ2-CG 4.48Å; P454-D456 VanDerWaalsContact C-N 3.27Å; P454-D456 PolarHBondContact O-N 3.44Å; P454-L457 HydrophobicContact CB-CB 4.42Å; P454-L457 HydrophobicContact CG-CB 4.17Å; P454-L457 HydrophobicContact CG-CD1 3.92Å; P454-L457 HydrophobicContact CG-CD2 4.08Å; P454-L457 HydrophobicContact CG-CG 4.3Å; P454-L457 WeakPolarHBondContact O-CB 3.18Å; P454-F464 HydrophobicContact CB-CB 3.7Å; P454-F464 HydrophobicContact CB-CD1 4.22Å; P454-F464 HydrophobicContact CB-CD2 3.92Å; P454-F464 HydrophobicContact CB-CG 3.67Å; P454-F464 HydrophobicContact CG-CB 4.5Å; P454-F464 HydrophobicContact CG-CD1 4.22Å; P454-F464 HydrophobicContact CG-CG 4.16Å; P454-S468 CarbonylContact C-O 3.51Å; P454-S468 WeakPolarHBondContact CA-O 3.22Å
455	L	84.4	Confident	79.1	Confident	106 Å²	106	58.6 Å²	58.6	56%	0.555	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.1	-175.4	-65.6	170.2	0	0	0	113	W453 S468 C470	W453-L455 PolarHBondContact O-N 2.75Å; L455-S468 PolarHBondContact N-O 3.46Å; L455-C470 HydrophobicContact CD2-CB 4.34Å
456	D	82.8	Confident	79.1	Confident	62 Å²	62	61.7 Å²	61.7	33%	0.332	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	31.8	179.5	70.3	-36	0	0	0	112.2	P454 D458 F464 S465 S468	P454-D456 VanDerWaalsContact C-N 3.27Å; P454-D456 PolarHBondContact O-N 3.44Å; D456-D458 PolarHBondContact O-N 2.78Å; D456-F464 WeakPolarHBondContact OD1-CB 3.45Å; D456-S465 PolarHBondContact OD1-N 2.8Å; D456-S465 WeakPolarHBondContact OD2-CA 3.45Å; D456-S465 WeakPolarHBondContact OD2-CB 3.04Å; D456-S465 PolarHBondContact OD2-N 3.05Å; D456-S465 PolarHBondContact OD2-OG 2.78Å; D456-S468 WeakPolarHBondContact CB-OG 3.35Å; D456-S468 WeakPolarHBondContact OD1-CB 3.49Å; D456-S468 PolarHBondContact OD1-OG 2.88Å; D456-S468 PolarHBondContact OD2-OG 3.06Å
457	L	76.7	Confident	78.9	Confident	38 Å²	38	63.7 Å²	63.7	20%	0.199	36%	0.363	C	S	.	.			trans	-64.6	122.7	177.2	-165.8	57.9	0	0	0	110.3	W453 P454 F461 F464	W453-L457 HydrophobicContact CH2-CD2 3.97Å; W453-L457 HydrophobicContact CZ2-CD2 3.78Å; P454-L457 HydrophobicContact CB-CB 4.42Å; P454-L457 HydrophobicContact CG-CB 4.17Å; P454-L457 HydrophobicContact CG-CD1 3.92Å; P454-L457 HydrophobicContact CG-CD2 4.08Å; P454-L457 HydrophobicContact CG-CG 4.3Å; P454-L457 WeakPolarHBondContact O-CB 3.18Å; L457-F461 HydrophobicContact CD1-CD1 4.35Å; L457-F461 HydrophobicContact CD2-CD1 3.3Å; L457-F461 HydrophobicContact CD2-CE1 3.3Å; L457-F461 HydrophobicContact CD2-CG 4.11Å; L457-F461 HydrophobicContact CD2-CZ 4.13Å; L457-F461 HydrophobicContact CG-CD1 3.98Å; L457-F461 HydrophobicContact CG-CE1 4.29Å; L457-F461 HydrophobicContact CG-CG 4.33Å; L457-F464 HydrophobicContact CD1-CB 4.21Å; L457-F464 HydrophobicContact CD1-CD1 3.46Å; L457-F464 VanDerWaalsContact CD1-CD1 3.46Å; L457-F464 HydrophobicContact CD1-CE1 4.25Å; L457-F464 HydrophobicContact CD1-CG 4.22Å
458	D	77.5	Confident	79.4	Confident	48 Å²	48	57.9 Å²	57.9	26%	0.257	33%	0.333	S	S	.	.			trans	-63.9	158.3	171.8	65.2	-13.5	0	0	0	111.9	D456 A460 F461 T462 S463	D456-D458 PolarHBondContact O-N 2.78Å; D458-A460 PolarHBondContact O-N 3.1Å; D458-A460 VanDerWaalsContact O-N 3.11Å; D458-F461 PolarHBondContact O-N 3.12Å; D458-F461 VanDerWaalsContact OD1-C 3.26Å; D458-F461 VanDerWaalsContact OD1-CA 3.22Å; D458-F461 WeakPolarHBondContact OD1-CA 3.36Å; D458-F461 PolarHBondContact OD1-N 3.21Å; D458-T462 PolarHBondContact OD1-N 3.32Å; D458-T462 PolarHBondContact OD2-N 2.65Å; D458-T462 PolarHBondContact OD2-OG1 2.85Å; D458-S463 VanDerWaalsContact CG-O 3.31Å; D458-S463 PolarHBondContact N-O 3.19Å; D458-S463 PolarHBondContact OD1-N 3.32Å; D458-S463 PolarHBondContact OD2-N 2.57Å
459	F	71.3	Confident	79.7	Confident	209 Å²	209	56.4 Å²	56.4	92%	0.917	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29	178.7	-179.4	-97	0	0	0	112.9	F461	F459-F461 VanDerWaalsContact C-N 3.32Å; F459-F461 WeakPolarHBondContact O-CD2 3.47Å
460	A	68	Low	79.9	Confident	63 Å²	63	55.3 Å²	55.3	52%	0.521	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.5	179.5	0	0	0	0	0	113.8	D458 T462	D458-A460 PolarHBondContact O-N 3.1Å; D458-A460 VanDerWaalsContact O-N 3.11Å; A460-T462 HydrophobicContact CB-CG2 4.17Å; A460-T462 VanDerWaalsContact CB-OG1 3.27Å; A460-T462 WeakPolarHBondContact CB-OG1 3.47Å; A460-T462 PolarHBondContact O-N 3.49Å; A460-T462 VanDerWaalsContact O-N 3.12Å
461	F	68.6	Low	79.9	Confident	86 Å²	86	58.7 Å²	58.7	38%	0.377	33%	0.326	S	S	.	.	S	Bend	trans	55	24.7	-173.7	-67.3	-108.9	0	0	0	112.8	R340 W453 L457 D458 F459	R340-F461 PolarHBondContact NH2-O 3.35Å; W453-F461 HydrophobicContact CH2-CE1 4.18Å; L457-F461 HydrophobicContact CD1-CD1 4.35Å; L457-F461 HydrophobicContact CD2-CD1 3.3Å; L457-F461 HydrophobicContact CD2-CE1 3.3Å; L457-F461 HydrophobicContact CD2-CG 4.11Å; L457-F461 HydrophobicContact CD2-CZ 4.13Å; L457-F461 HydrophobicContact CG-CD1 3.98Å; L457-F461 HydrophobicContact CG-CE1 4.29Å; L457-F461 HydrophobicContact CG-CG 4.33Å; D458-F461 PolarHBondContact O-N 3.12Å; D458-F461 VanDerWaalsContact OD1-C 3.26Å; D458-F461 VanDerWaalsContact OD1-CA 3.22Å; D458-F461 WeakPolarHBondContact OD1-CA 3.36Å; D458-F461 PolarHBondContact OD1-N 3.21Å; F459-F461 VanDerWaalsContact C-N 3.32Å; F459-F461 WeakPolarHBondContact O-CD2 3.47Å
462	T	69.4	Low	79.9	Confident	69 Å²	69	60.2 Å²	60.2	42%	0.423	34%	0.335	S	S	.	.	S	Bend	trans	-99.8	-25.2	-175.6	42.4	0	0	0	0	113.8	R340 D458 A460	R340-T462 PolarHBondContact NH1-O 3.28Å; D458-T462 PolarHBondContact OD1-N 3.32Å; D458-T462 PolarHBondContact OD2-N 2.65Å; D458-T462 PolarHBondContact OD2-OG1 2.85Å; A460-T462 HydrophobicContact CB-CG2 4.17Å; A460-T462 VanDerWaalsContact CB-OG1 3.27Å; A460-T462 WeakPolarHBondContact CB-OG1 3.47Å; A460-T462 PolarHBondContact O-N 3.49Å; A460-T462 VanDerWaalsContact O-N 3.12Å
463	S	73.4	Confident	79.9	Confident	76 Å²	76	61.4 Å²	61.4	53%	0.531	35%	0.345	S	S	.	.			trans	-146	131.4	-174.9	-175.7	0	0	0	0	111.4	D458	D458-S463 VanDerWaalsContact CG-O 3.31Å; D458-S463 PolarHBondContact N-O 3.19Å; D458-S463 PolarHBondContact OD1-N 3.32Å; D458-S463 PolarHBondContact OD2-N 2.57Å
464	F	76.5	Confident	79.8	Confident	31 Å²	31	60.6 Å²	60.6	14%	0.136	34%	0.343	C	S	.	.			trans	-148.9	150.5	171.5	51.2	-94.9	0	0	0	108.3	M341 W344 P454 D456 L457	M341-F464 HydrophobicContact SD-CE1 4.39Å; W344-F464 HydrophobicContact CB-CE2 4.38Å; W344-F464 HydrophobicContact CB-CZ 4.21Å; W344-F464 HydrophobicContact CD2-CD2 4.13Å; W344-F464 AromaticContact CD2-CE2 3.37Å; W344-F464 HydrophobicContact CD2-CE2 3.37Å; W344-F464 AromaticContact CD2-CZ 3.97Å; W344-F464 HydrophobicContact CD2-CZ 3.97Å; W344-F464 AromaticContact CE2-CE2 3.83Å; W344-F464 AromaticContact CE3-CD2 3.92Å; W344-F464 HydrophobicContact CE3-CD2 3.92Å; W344-F464 AromaticContact CE3-CE2 3.23Å; W344-F464 HydrophobicContact CE3-CE2 3.23Å; W344-F464 HydrophobicContact CE3-CZ 4.16Å; W344-F464 AromaticContact CG-CE2 3.92Å; W344-F464 HydrophobicContact CG-CE2 3.92Å; W344-F464 HydrophobicContact CG-CZ 4.02Å; W344-F464 AromaticContact CH2-CD2 3.64Å; W344-F464 HydrophobicContact CH2-CD2 3.64Å; W344-F464 AromaticContact CH2-CE2 3.85Å; W344-F464 HydrophobicContact CH2-CE2 3.85Å; W344-F464 AromaticContact CZ2-CD2 3.96Å; W344-F464 HydrophobicContact CZ2-CD2 3.96Å; W344-F464 HydrophobicContact CZ2-CE2 4.07Å; W344-F464 AromaticContact CZ3-CD2 3.63Å; W344-F464 HydrophobicContact CZ3-CD2 3.63Å; W344-F464 AromaticContact CZ3-CE2 3.44Å; W344-F464 HydrophobicContact CZ3-CE2 3.44Å; W344-F464 VanDerWaalsContact CZ3-CE2 3.44Å; P454-F464 HydrophobicContact CB-CB 3.7Å; P454-F464 HydrophobicContact CB-CD1 4.22Å; P454-F464 HydrophobicContact CB-CD2 3.92Å; P454-F464 HydrophobicContact CB-CG 3.67Å; P454-F464 HydrophobicContact CG-CB 4.5Å; P454-F464 HydrophobicContact CG-CD1 4.22Å; P454-F464 HydrophobicContact CG-CG 4.16Å; D456-F464 WeakPolarHBondContact OD1-CB 3.45Å; L457-F464 HydrophobicContact CD1-CB 4.21Å; L457-F464 HydrophobicContact CD1-CD1 3.46Å; L457-F464 VanDerWaalsContact CD1-CD1 3.46Å; L457-F464 HydrophobicContact CD1-CE1 4.25Å; L457-F464 HydrophobicContact CD1-CG 4.22Å
465	S	75.2	Confident	79.7	Confident	45 Å²	45	65 Å²	65	32%	0.315	36%	0.362	S	S	.	.			trans	-85.1	151.2	-179.7	73.8	0	0	0	0	111.6	W344 D456 S467 S468	W344-S465 WeakPolarHBondContact CH2-O 3.35Å; D456-S465 PolarHBondContact OD1-N 2.8Å; D456-S465 WeakPolarHBondContact OD2-CA 3.45Å; D456-S465 WeakPolarHBondContact OD2-CB 3.04Å; D456-S465 PolarHBondContact OD2-N 3.05Å; D456-S465 PolarHBondContact OD2-OG 2.78Å; S465-S467 PolarHBondContact O-N 2.99Å; S465-S467 VanDerWaalsContact O-N 3.12Å; S465-S467 PolarHBondContact OG-OG 2.82Å; S465-S468 PolarHBondContact O-OG 3.34Å; S465-S468 PolarHBondContact OG-OG 3.11Å
466	D	72	Confident	79.7	Confident	109 Å²	109	67 Å²	67	58%	0.583	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.5	-179.9	-85.6	5.5	0	0	0	113.4	K347	K347-D466 IonicContact NZ-OD1 3.22Å; K347-D466 IonicContact NZ-OD2 3.81Å; K347-D466 PolarHBondContact NZ-OD2 3.3Å
467	S	72.9	Confident	80	Confident	108 Å²	108	64.2 Å²	64.2	76%	0.755	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-22.9	-173	43.6	0	0	0	0	115.8	S465 V469	S465-S467 PolarHBondContact O-N 2.99Å; S465-S467 VanDerWaalsContact O-N 3.12Å; S465-S467 PolarHBondContact OG-OG 2.82Å; S467-V469 PolarHBondContact O-N 2.95Å
468	S	85	Confident	80.5	Confident	23 Å²	23	65.5 Å²	65.5	16%	0.161	36%	0.359	C	S	.	.			trans	-104.7	82.3	-167.6	28.6	0	0	0	0	110.8	P454 L455 D456 S465	P454-S468 CarbonylContact C-O 3.51Å; P454-S468 WeakPolarHBondContact CA-O 3.22Å; L455-S468 PolarHBondContact N-O 3.46Å; D456-S468 WeakPolarHBondContact CB-OG 3.35Å; D456-S468 WeakPolarHBondContact OD1-CB 3.49Å; D456-S468 PolarHBondContact OD1-OG 2.88Å; D456-S468 PolarHBondContact OD2-OG 3.06Å; S465-S468 PolarHBondContact O-OG 3.34Å; S465-S468 PolarHBondContact OG-OG 3.11Å
469	V	87.9	Confident	80.9	Confident	15 Å²	15	70.8 Å²	70.8	9%	0.091	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-119.2	138.4	-175.9	-171.6	0	0	0	0	110.6	W344 A348 L351 W453 S467 L471	W344-V469 HydrophobicContact CH2-CG2 3.61Å; W344-V469 HydrophobicContact CZ2-CG2 3.61Å; A348-V469 HydrophobicContact CB-CG1 4.15Å; L351-V469 HydrophobicContact CD1-CB 4.2Å; L351-V469 HydrophobicContact CD1-CG1 4.19Å; L351-V469 HydrophobicContact CD1-CG2 4.18Å; W453-V469 CarbonylContact O-C 3.58Å; S467-V469 PolarHBondContact O-N 2.95Å; V469-L471 PolarHBondContact O-N 2.9Å; V469-L471 VanDerWaalsContact O-N 3.13Å
470	C	90.5	Very high	81.7	Confident	10 Å²	10	62.2 Å²	62.2	7%	0.068	34%	0.342	C	S	.	.			trans	-68.9	108	168.8	-173.4	0	0	0	0	110.6	C451 G452 W453 L455 V472	C451-C470 HydrophobicContact CB-CB 4.01Å; G452-C470 PolarHBondContact N-O 3.48Å; W453-C470 HydrophobicContact CB-CB 3.89Å; W453-C470 PolarHBondContact O-N 3.16Å; L455-C470 HydrophobicContact CD2-CB 4.34Å; C470-V472 VanDerWaalsContact C-N 3.33Å
471	L	89.6	Confident	82.6	Confident	73 Å²	73	61.2 Å²	61.2	38%	0.382	33%	0.325	S	S	.	.			trans	-85.4	1	-179.9	-59.9	178.1	0	0	0	114.1	L351 C353 A354 V469	L351-L471 HydrophobicContact CB-CD2 4.18Å; L351-L471 HydrophobicContact CD1-CD2 4.1Å; C353-L471 WeakPolarHBondContact CA-O 3.49Å; A354-L471 HydrophobicContact CB-CB 4.02Å; A354-L471 PolarHBondContact N-O 2.98Å; V469-L471 PolarHBondContact O-N 2.9Å; V469-L471 VanDerWaalsContact O-N 3.13Å
472	V	89.6	Confident	83.4	Confident	33 Å²	33	58.6 Å²	58.6	20%	0.2	31%	0.314	C	S	.	.	S	Bend	trans	-66.7	141.9	176.2	179.6	0	0	0	0	109.2	E359 V450 C451 C470 K474 C477	E359-V472 WeakPolarHBondContact OE1-CG1 3.38Å; E359-V472 WeakPolarHBondContact OE1-CG2 3.37Å; V450-V472 CarbonylContact C-O 3.58Å; C451-V472 WeakPolarHBondContact CB-O 3.35Å; C451-V472 PolarHBondContact N-O 3.24Å; C470-V472 VanDerWaalsContact C-N 3.33Å; V472-K474 PolarHBondContact O-N 3.27Å; V472-C477 HydrophobicContact CB-CB 4.17Å; V472-C477 HydrophobicContact CG1-CB 3.84Å
473	A	89.4	Confident	84.4	Confident	27 Å²	27	56 Å²	56	22%	0.223	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-55.9	131.4	177	0	0	0	0	0	111.4	K475 K476 C477	A473-K475 PolarHBondContact O-N 2.97Å; A473-K476 HydrophobicContact CB-CB 4.35Å; A473-K476 HydrophobicContact CB-CG 4.46Å; A473-K476 CarbonylContact O-C 3.53Å; A473-K476 PolarHBondContact O-N 3.45Å; A473-C477 PolarHBondContact O-N 3.31Å
474	K	87.5	Confident	85.2	Confident	40 Å²	40	53.4 Å²	53.4	17%	0.174	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-33	-174.8	-170	173.7	-179.8	173.1	0	113.7	I445 V449 V472 D484	I445-K474 HydrophobicContact CD1-CD 3.99Å; I445-K474 HydrophobicContact CD1-CG 4.05Å; I445-K474 HydrophobicContact CG1-CD 4.43Å; I445-K474 HydrophobicContact CG2-CB 4.19Å; I445-K474 HydrophobicContact CG2-CD 4.13Å; I445-K474 HydrophobicContact CG2-CG 4.48Å; V449-K474 HydrophobicContact CG1-CB 4.48Å; V449-K474 HydrophobicContact CG1-CD 4.12Å; V449-K474 WeakPolarHBondContact O-CB 2.74Å; V449-K474 PolarHBondContact O-N 2.83Å; V472-K474 PolarHBondContact O-N 3.27Å; K474-D484 VanDerWaalsContact CE-OD1 3.26Å; K474-D484 WeakPolarHBondContact CE-OD1 3.47Å; K474-D484 WeakPolarHBondContact CE-OD2 3.22Å; K474-D484 VanDerWaalsContact NZ-CG 3.31Å; K474-D484 IonicContact NZ-OD1 3.87Å; K474-D484 PolarHBondContact NZ-OD1 2.91Å; K474-D484 IonicContact NZ-OD2 3.48Å; K474-D484 PolarHBondContact NZ-OD2 3.35Å
475	K	84.6	Confident	85.8	Confident	94 Å²	94	53.6 Å²	53.6	41%	0.409	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-25.3	176.2	-68.1	-176.9	-178.8	169.5	0	114.2	I445 D447 A473 W481	I445-K475 HydrophobicContact CB-CG 4.19Å; I445-K475 HydrophobicContact CD1-CG 4.42Å; I445-K475 HydrophobicContact CG2-CG 4.21Å; I445-K475 WeakPolarHBondContact O-CE 3.4Å; I445-K475 PolarHBondContact O-NZ 3.36Å; D447-K475 IonicContact OD1-NZ 3.79Å; D447-K475 PolarHBondContact OD1-NZ 3.11Å; A473-K475 PolarHBondContact O-N 2.97Å; K475-W481 WeakPolarHBondContact O-CZ3 2.99Å
476	K	85.3	Confident	86.5	Confident	148 Å²	148	55 Å²	55	64%	0.643	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-15.2	-173.5	-63.6	-174.8	178.9	-178.5	0	113	A473 L478	A473-K476 HydrophobicContact CB-CB 4.35Å; A473-K476 HydrophobicContact CB-CG 4.46Å; A473-K476 CarbonylContact O-C 3.53Å; A473-K476 PolarHBondContact O-N 3.45Å; K476-L478 PolarHBondContact O-N 3.31Å; K476-L478 VanDerWaalsContact O-N 3.08Å
477	C	89.2	Confident	87.3	Confident	4 Å²	4	51 Å²	51	3%	0.027	25%	0.253	C	S	.	.			trans	-65.4	110	179.3	-168.4	0	0	0	0	111.1	C451 V472 A473 H480	C451-C477 HydrophobicContact CB-CB 3.92Å; C451-C477 VanDerWaalsContact SG-SG 3.67Å; V472-C477 HydrophobicContact CB-CB 4.17Å; V472-C477 HydrophobicContact CG1-CB 3.84Å; A473-C477 PolarHBondContact O-N 3.31Å; C477-H480 PolarHBondContact SG-N 3.31Å
478	L	87.1	Confident	88.3	Confident	65 Å²	65	47.3 Å²	47.3	34%	0.34	22%	0.223	S	C	.	.	S	Bend	trans	-87.2	-25.9	176.1	-61.4	178.1	0	0	0	112.7	R384 K388 K476	R384-L478 WeakPolarHBondContact O-CB 3.32Å; K388-L478 HydrophobicContact CD-CD2 3.88Å; K476-L478 PolarHBondContact O-N 3.31Å; K476-L478 VanDerWaalsContact O-N 3.08Å
479	K	85.1	Confident	88.7	Confident	159 Å²	159	46.4 Å²	46.4	69%	0.691	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.3	178.3	-67.1	-173.2	178.4	-178.6	0	114	Q387	Q387-K479 PolarHBondContact NE2-O 3.18Å; Q387-K479 PolarHBondContact OE1-O 3.22Å
480	H	87.9	Confident	88.9	Confident	29 Å²	29	51.1 Å²	51.1	13%	0.134	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	60.1	-177.5	-44.2	115.1	0	0	0	110.2	Q387 C451 W453 C477 Q482 W483	Q387-H480 VanDerWaalsContact OE1-CA 3.22Å; C451-H480 VanDerWaalsContact SG-CB 3.51Å; W453-H480 HydrophobicContact CB-CB 4.05Å; W453-H480 AromaticContact CD1-CD2 3.65Å; W453-H480 AromaticContact CD1-CE1 3.71Å; W453-H480 AromaticContact CD1-NE2 3.39Å; W453-H480 HydrophobicContact CD2-CB 4.46Å; W453-H480 AromaticContact CD2-CD2 3.62Å; W453-H480 AromaticContact CE2-CD2 3.92Å; W453-H480 HydrophobicContact CE3-CB 4.46Å; W453-H480 HydrophobicContact CG-CB 4.3Å; W453-H480 AromaticContact CG-CD2 3.48Å; W453-H480 VanDerWaalsContact CG-CD2 3.48Å; W453-H480 AromaticContact CG-CE1 3.9Å; W453-H480 AromaticContact CG-CG 3.64Å; W453-H480 AromaticContact CG-ND1 3.89Å; W453-H480 AromaticContact CG-NE2 3.69Å; W453-H480 AromaticContact NE1-CD2 3.89Å; W453-H480 AromaticContact NE1-NE2 3.71Å; C477-H480 PolarHBondContact SG-N 3.31Å; H480-Q482 PolarHBondContact O-N 2.64Å; H480-W483 HydrophobicContact CB-CB 4.25Å; H480-W483 HydrophobicContact CB-CG 4.21Å
481	W	87.5	Confident	89.1	Confident	41 Å²	41	50.9 Å²	50.9	16%	0.155	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	113.3	-172.9	-180	-92.9	0	0	0	112	Q387 K388 F391 K475 W483	Q387-W481 HydrophobicContact CB-CB 4.17Å; K388-W481 HydrophobicContact CB-CD2 4.2Å; K388-W481 HydrophobicContact CB-CG 4.2Å; K388-W481 HydrophobicContact CD-CE3 4.34Å; K388-W481 HydrophobicContact CD-CZ3 4.32Å; K388-W481 HydrophobicContact CG-CD2 4.08Å; K388-W481 HydrophobicContact CG-CE3 4.33Å; K388-W481 HydrophobicContact CG-CZ2 4.42Å; F391-W481 AromaticContact CD1-NE1 3.68Å; F391-W481 AromaticContact CG-CD1 3.92Å; F391-W481 AromaticContact CG-NE1 3.73Å; K475-W481 WeakPolarHBondContact O-CZ3 2.99Å; W481-W483 PolarHBondContact O-N 2.76Å; W481-W483 VanDerWaalsContact O-N 3.13Å
482	Q	86.6	Confident	89.3	Confident	32 Å²	32	47.9 Å²	47.9	15%	0.15	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	33.8	-178.7	-61.4	-169.5	3.6	0	0	113.8	F391 H480 D484 R485 Y486	F391-Q482 VanDerWaalsContact CE2-OE1 3.22Å; H480-Q482 PolarHBondContact O-N 2.64Å; Q482-D484 VanDerWaalsContact C-N 3.26Å; Q482-D484 PolarHBondContact O-N 3.28Å; Q482-R485 HydrophobicContact CB-CB 4.37Å; Q482-R485 WeakPolarHBondContact O-CB 3.42Å; Q482-R485 PolarHBondContact O-N 3.48Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.48Å; Q482-Y486 PolarHBondContact O-N 2.95Å
483	W	89	Confident	89.5	Confident	15 Å²	15	51.1 Å²	51.1	6%	0.057	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-37.6	-174.7	73	-95.4	0	0	0	112.9	M341 L345 C451 G452 W453 H480 W481 R485 Y486 Q487	M341-W483 HydrophobicContact CE-CH2 3.59Å; M341-W483 HydrophobicContact CE-CZ3 3.43Å; M341-W483 VanDerWaalsContact CE-CZ3 3.43Å; L345-W483 HydrophobicContact CD2-CH2 3.95Å; L345-W483 HydrophobicContact CD2-CZ2 3.63Å; C451-W483 PolarHBondContact O-NE1 2.99Å; C451-W483 VanDerWaalsContact SG-CD1 3.6Å; G452-W483 VanDerWaalsContact C-CZ2 3.49Å; G452-W483 VanDerWaalsContact O-CZ2 3.28Å; G452-W483 WeakPolarHBondContact O-CZ2 3.26Å; W453-W483 HydrophobicContact CB-CD2 4.48Å; W453-W483 HydrophobicContact CD2-CD2 4.4Å; W453-W483 HydrophobicContact CD2-CG 4.47Å; W453-W483 HydrophobicContact CE3-CB 3.59Å; W453-W483 AromaticContact CE3-CD2 3.36Å; W453-W483 HydrophobicContact CE3-CD2 3.36Å; W453-W483 AromaticContact CE3-CE3 3.45Å; W453-W483 HydrophobicContact CE3-CE3 3.45Å; W453-W483 VanDerWaalsContact CE3-CE3 3.45Å; W453-W483 AromaticContact CE3-CG 3.42Å; W453-W483 HydrophobicContact CE3-CG 3.42Å; W453-W483 VanDerWaalsContact CE3-CG 3.42Å; W453-W483 HydrophobicContact CE3-CZ3 4.24Å; W453-W483 HydrophobicContact CZ3-CB 3.76Å; W453-W483 AromaticContact CZ3-CD2 3.95Å; W453-W483 HydrophobicContact CZ3-CD2 3.95Å; W453-W483 AromaticContact CZ3-CE3 3.66Å; W453-W483 HydrophobicContact CZ3-CE3 3.66Å; W453-W483 HydrophobicContact CZ3-CG 4.02Å; W453-W483 HydrophobicContact CZ3-CZ3 4.49Å; H480-W483 HydrophobicContact CB-CB 4.25Å; H480-W483 HydrophobicContact CB-CG 4.21Å; W481-W483 PolarHBondContact O-N 2.76Å; W481-W483 VanDerWaalsContact O-N 3.13Å; W483-R485 VanDerWaalsContact C-N 3.33Å; W483-R485 PolarHBondContact O-N 3.32Å; W483-Y486 WeakPolarHBondContact O-CB 3.32Å; W483-Y486 PolarHBondContact O-N 3.41Å; W483-Q487 HydrophobicContact CE3-CB 4.4Å; W483-Q487 HydrophobicContact CZ3-CB 4.47Å; W483-Q487 PolarHBondContact O-N 3.38Å
484	D	90.2	Very high	89.8	Confident	21 Å²	21	53.1 Å²	53.1	11%	0.112	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-42.8	-176.8	59.1	-52.7	0	0	0	110.6	L345 K474 Q482 Y486 Q487 F488	L345-D484 HydrophobicContact CD1-CB 3.91Å; L345-D484 HydrophobicContact CD2-CB 4.01Å; K474-D484 VanDerWaalsContact CE-OD1 3.26Å; K474-D484 WeakPolarHBondContact CE-OD1 3.47Å; K474-D484 WeakPolarHBondContact CE-OD2 3.22Å; K474-D484 VanDerWaalsContact NZ-CG 3.31Å; K474-D484 IonicContact NZ-OD1 3.87Å; K474-D484 PolarHBondContact NZ-OD1 2.91Å; K474-D484 IonicContact NZ-OD2 3.48Å; K474-D484 PolarHBondContact NZ-OD2 3.35Å; Q482-D484 VanDerWaalsContact C-N 3.26Å; Q482-D484 PolarHBondContact O-N 3.28Å; D484-Y486 VanDerWaalsContact C-N 3.34Å; D484-Y486 PolarHBondContact O-N 2.84Å; D484-Q487 PolarHBondContact O-N 3.13Å; D484-F488 WeakPolarHBondContact O-CD2 3.39Å; D484-F488 PolarHBondContact O-N 2.83Å
485	R	90.2	Very high	90.2	Very high	35 Å²	35	51.5 Å²	51.5	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-40.2	175.5	-178.2	-177.1	171.4	-174.8	-3.8	111.9	L434 S440 Q482 W483 A489	L434-R485 PolarHBondContact O-NE 3.42Å; L434-R485 PolarHBondContact O-NH2 3.31Å; S440-R485 PolarHBondContact OG-NH2 2.77Å; Q482-R485 HydrophobicContact CB-CB 4.37Å; Q482-R485 WeakPolarHBondContact O-CB 3.42Å; Q482-R485 PolarHBondContact O-N 3.48Å; W483-R485 VanDerWaalsContact C-N 3.33Å; W483-R485 PolarHBondContact O-N 3.32Å; R485-A489 WeakPolarHBondContact O-CB 3.31Å; R485-A489 PolarHBondContact O-N 2.79Å
486	Y	89.3	Confident	90.6	Very high	73 Å²	73	49.1 Å²	49.1	29%	0.286	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-40.8	173.5	-86.1	-72.9	0	0	0	112.1	F391 I435 Q482 W483 D484 F488 A489 M490	F391-Y486 HydrophobicContact CB-CE2 4.46Å; F391-Y486 AromaticContact CD2-CE2 3.51Å; F391-Y486 HydrophobicContact CD2-CE2 3.51Å; F391-Y486 AromaticContact CD2-CZ 3.65Å; F391-Y486 WeakPolarHBondContact CD2-OH 3.34Å; F391-Y486 HydrophobicContact CE2-CE2 4.26Å; F391-Y486 HydrophobicContact CG-CE2 4.45Å; I435-Y486 HydrophobicContact CG2-CD1 4.42Å; I435-Y486 HydrophobicContact CG2-CE1 4.42Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.48Å; Q482-Y486 PolarHBondContact O-N 2.95Å; W483-Y486 WeakPolarHBondContact O-CB 3.32Å; W483-Y486 PolarHBondContact O-N 3.41Å; D484-Y486 VanDerWaalsContact C-N 3.34Å; D484-Y486 PolarHBondContact O-N 2.84Å; Y486-F488 PolarHBondContact O-N 3.36Å; Y486-A489 CarbonylContact O-C 3.6Å; Y486-A489 WeakPolarHBondContact O-CA 3.33Å; Y486-A489 WeakPolarHBondContact O-CB 3.47Å; Y486-A489 PolarHBondContact O-N 3.26Å; Y486-A489 VanDerWaalsContact O-N 3.09Å; Y486-M490 WeakPolarHBondContact O-CG 3.39Å; Y486-M490 PolarHBondContact O-N 3.48Å
487	Q	89.9	Confident	91.1	Very high	27 Å²	27	45.8 Å²	45.8	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-45.6	179.4	-175.6	61.5	2.6	0	0	111.5	M341 W483 D484 A489 M490 I491	M341-Q487 HydrophobicContact CE-CG 4.16Å; M341-Q487 HydrophobicContact CG-CG 4.44Å; W483-Q487 HydrophobicContact CE3-CB 4.4Å; W483-Q487 HydrophobicContact CZ3-CB 4.47Å; W483-Q487 PolarHBondContact O-N 3.38Å; D484-Q487 PolarHBondContact O-N 3.13Å; Q487-A489 VanDerWaalsContact C-N 3.32Å; Q487-A489 PolarHBondContact O-N 2.64Å; Q487-M490 PolarHBondContact O-N 3.26Å; Q487-I491 WeakPolarHBondContact O-CG1 3.43Å; Q487-I491 PolarHBondContact O-N 3.33Å; Q487-I491 VanDerWaalsContact O-N 3.08Å
488	F	93.2	Very high	91.4	Very high	29 Å²	29	46.7 Å²	46.7	13%	0.127	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-35.8	173.4	-68.3	-59.2	0	0	0	112.4	E338 M341 Q342 L345 L434 D484 Y486 M490 I491 D492	E338-F488 HydrophobicContact CG-CD1 3.93Å; E338-F488 HydrophobicContact CG-CE1 3.76Å; M341-F488 HydrophobicContact CB-CE1 3.88Å; M341-F488 HydrophobicContact CB-CZ 4.02Å; Q342-F488 HydrophobicContact CG-CE1 3.89Å; Q342-F488 HydrophobicContact CG-CZ 3.72Å; L345-F488 HydrophobicContact CD1-CE2 3.48Å; L345-F488 VanDerWaalsContact CD1-CE2 3.48Å; L345-F488 HydrophobicContact CD1-CZ 3.76Å; L434-F488 VanDerWaalsContact CD1-C 3.47Å; L434-F488 HydrophobicContact CD1-CB 3.41Å; L434-F488 VanDerWaalsContact CD1-CB 3.41Å; D484-F488 WeakPolarHBondContact O-CD2 3.39Å; D484-F488 PolarHBondContact O-N 2.83Å; Y486-F488 PolarHBondContact O-N 3.36Å; F488-M490 VanDerWaalsContact C-N 3.32Å; F488-M490 PolarHBondContact O-N 2.72Å; F488-I491 HydrophobicContact CD1-CD1 4.39Å; F488-I491 PolarHBondContact O-N 3.2Å; F488-D492 WeakPolarHBondContact O-CB 3.45Å; F488-D492 PolarHBondContact O-N 3.2Å
489	A	92.8	Very high	91.8	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-33	175	0	0	0	0	0	112.9	L434 I435 R485 Y486 Q487 D492 M493	L434-A489 HydrophobicContact CB-CB 4.09Å; L434-A489 HydrophobicContact CD1-CB 4.48Å; I435-A489 HydrophobicContact CG2-CB 3.62Å; R485-A489 WeakPolarHBondContact O-CB 3.31Å; R485-A489 PolarHBondContact O-N 2.79Å; Y486-A489 CarbonylContact O-C 3.6Å; Y486-A489 WeakPolarHBondContact O-CA 3.33Å; Y486-A489 WeakPolarHBondContact O-CB 3.47Å; Y486-A489 PolarHBondContact O-N 3.26Å; Y486-A489 VanDerWaalsContact O-N 3.09Å; Q487-A489 VanDerWaalsContact C-N 3.32Å; Q487-A489 PolarHBondContact O-N 2.64Å; A489-D492 PolarHBondContact O-N 2.86Å; A489-M493 WeakPolarHBondContact O-CB 3.35Å; A489-M493 WeakPolarHBondContact O-CG 3.38Å; A489-M493 PolarHBondContact O-N 2.79Å
490	M	92.9	Very high	92.2	Very high	115 Å²	115	42.5 Å²	42.5	57%	0.567	21%	0.21	S	C	*	.	H	α-helix	trans	-67.9	-43.7	173.9	-72.5	175.6	62.2	0	0	111.4	Y486 Q487 F488 D492 M493 E494	Y486-M490 WeakPolarHBondContact O-CG 3.39Å; Y486-M490 PolarHBondContact O-N 3.48Å; Q487-M490 PolarHBondContact O-N 3.26Å; F488-M490 VanDerWaalsContact C-N 3.32Å; F488-M490 PolarHBondContact O-N 2.72Å; M490-D492 VanDerWaalsContact C-N 3.33Å; M490-D492 PolarHBondContact O-N 2.93Å; M490-M493 WeakPolarHBondContact O-CB 3.41Å; M490-M493 PolarHBondContact O-N 2.66Å; M490-E494 PolarHBondContact O-N 3.23Å
491	I	94.1	Very high	92.6	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-47.1	172.5	-66.9	170.3	0	0	0	110.2	L334 E338 Q487 F488 M493 E494 R495	L334-I491 HydrophobicContact CB-CG2 4.23Å; L334-I491 HydrophobicContact CD2-CG2 4.35Å; E338-I491 HydrophobicContact CB-CD1 4.38Å; Q487-I491 WeakPolarHBondContact O-CG1 3.43Å; Q487-I491 PolarHBondContact O-N 3.33Å; Q487-I491 VanDerWaalsContact O-N 3.08Å; F488-I491 HydrophobicContact CD1-CD1 4.39Å; F488-I491 PolarHBondContact O-N 3.2Å; I491-M493 VanDerWaalsContact C-N 3.34Å; I491-M493 PolarHBondContact O-N 3.05Å; I491-E494 PolarHBondContact O-N 2.87Å; I491-R495 WeakPolarHBondContact O-CG 3.06Å; I491-R495 PolarHBondContact O-N 2.64Å
492	D	94.1	Very high	93	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-35.7	178.4	-86	-3.2	0	0	0	112.9	I416 L434 F488 A489 M490 R495 L496	I416-D492 HydrophobicContact CG1-CB 4.33Å; I416-D492 HydrophobicContact CG2-CB 4.04Å; L434-D492 WeakPolarHBondContact CD1-OD2 3.41Å; F488-D492 WeakPolarHBondContact O-CB 3.45Å; F488-D492 PolarHBondContact O-N 3.2Å; A489-D492 PolarHBondContact O-N 2.86Å; M490-D492 VanDerWaalsContact C-N 3.33Å; M490-D492 PolarHBondContact O-N 2.93Å; D492-R495 IonicContact OD1-NH1 3.61Å; D492-R495 PolarHBondContact OD1-NH1 2.89Å; D492-L496 WeakPolarHBondContact O-CB 3.41Å; D492-L496 PolarHBondContact O-N 2.7Å
493	M	93.7	Very high	93.4	Very high	102 Å²	102	48.4 Å²	48.4	50%	0.502	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-45.1	172.8	-87.3	-65.7	-68.7	0	0	112.1	L432 A489 M490 I491 L496 S497	L432-M493 HydrophobicContact CD1-CG 3.4Å; L432-M493 HydrophobicContact CD1-SD 3.53Å; L432-M493 VanDerWaalsContact CD1-SD 3.53Å; L432-M493 HydrophobicContact CD2-CG 4.28Å; L432-M493 HydrophobicContact CD2-SD 3.88Å; L432-M493 HydrophobicContact CG-CG 4.4Å; L432-M493 HydrophobicContact CG-SD 4.06Å; A489-M493 WeakPolarHBondContact O-CB 3.35Å; A489-M493 WeakPolarHBondContact O-CG 3.38Å; A489-M493 PolarHBondContact O-N 2.79Å; M490-M493 WeakPolarHBondContact O-CB 3.41Å; M490-M493 PolarHBondContact O-N 2.66Å; I491-M493 VanDerWaalsContact C-N 3.34Å; I491-M493 PolarHBondContact O-N 3.05Å; M493-L496 PolarHBondContact O-N 3.33Å; M493-S497 PolarHBondContact O-N 3.41Å
494	E	95	Very high	93.7	Very high	68 Å²	68	52.3 Å²	52.3	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-42.9	178.1	-165.3	177.5	165.4	0	0	110.9	R330 L334 M490 I491 L496 S497 L498	R330-E494 IonicContact CZ-OE1 2.77Å; R330-E494 IonicContact CZ-OE2 3.73Å; R330-E494 IonicContact NE-OE1 3.56Å; R330-E494 PolarHBondContact NE-OE1 2.87Å; R330-E494 IonicContact NH2-OE1 3.32Å; R330-E494 PolarHBondContact NH2-OE1 2.72Å; R330-E494 IonicContact NH2-OE2 2.69Å; R330-E494 PolarHBondContact NH2-OE2 3.41Å; L334-E494 HydrophobicContact CD1-CB 3.89Å; L334-E494 HydrophobicContact CD1-CG 3.83Å; M490-E494 PolarHBondContact O-N 3.23Å; I491-E494 PolarHBondContact O-N 2.87Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 PolarHBondContact O-N 3.37Å; E494-S497 WeakPolarHBondContact O-CB 3.49Å; E494-S497 PolarHBondContact O-N 3.13Å; E494-S497 VanDerWaalsContact O-N 3.13Å; E494-L498 HydrophobicContact CG-CD1 4.24Å; E494-L498 VanDerWaalsContact O-CG 3.31Å; E494-L498 WeakPolarHBondContact O-CG 3.28Å; E494-L498 PolarHBondContact O-N 2.88Å
495	R	95.5	Very high	94	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-55	-46.6	171.6	-74	174.8	169	152.8	-4.1	111.8	L331 L334 D335 E338 I416 I491 D492 S497 L498 L499	L331-R495 HydrophobicContact CD2-CB 4.13Å; L331-R495 HydrophobicContact CD2-CG 3.95Å; L334-R495 HydrophobicContact CB-CG 4.36Å; L334-R495 HydrophobicContact CD1-CG 3.87Å; D335-R495 IonicContact OD1-CZ 3.24Å; D335-R495 IonicContact OD1-NE 2.71Å; D335-R495 IonicContact OD1-NH2 2.96Å; D335-R495 PolarHBondContact OD1-NH2 3.2Å; E338-R495 IonicContact OE2-CZ 3.86Å; E338-R495 IonicContact OE2-NH1 2.64Å; E338-R495 PolarHBondContact OE2-NH1 2.98Å; E338-R495 IonicContact OE2-NH2 2.78Å; E338-R495 PolarHBondContact OE2-NH2 3.01Å; I416-R495 HydrophobicContact CD1-CB 3.72Å; I491-R495 WeakPolarHBondContact O-CG 3.06Å; I491-R495 PolarHBondContact O-N 2.64Å; D492-R495 IonicContact OD1-NH1 3.61Å; D492-R495 PolarHBondContact OD1-NH1 2.89Å; R495-S497 VanDerWaalsContact C-N 3.31Å; R495-S497 PolarHBondContact O-N 3.45Å; R495-L498 PolarHBondContact O-N 3.48Å; R495-L499 WeakPolarHBondContact O-CB 3.4Å; R495-L499 WeakPolarHBondContact O-CG 3.26Å; R495-L499 PolarHBondContact O-N 3.29Å
496	L	93.7	Very high	94.3	Very high	45 Å²	45	52.6 Å²	52.6	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-43.5	178	-178.6	60.3	0	0	0	111.4	I416 L417 L432 D492 M493 E494 L498 L499 L500	I416-L496 HydrophobicContact CD1-CB 4.34Å; I416-L496 HydrophobicContact CG2-CB 4.21Å; L417-L496 HydrophobicContact CD2-CD2 4.37Å; L432-L496 HydrophobicContact CD2-CD2 4.43Å; D492-L496 WeakPolarHBondContact O-CB 3.41Å; D492-L496 PolarHBondContact O-N 2.7Å; M493-L496 PolarHBondContact O-N 3.33Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 PolarHBondContact O-N 3.37Å; L496-L498 PolarHBondContact O-N 2.97Å; L496-L499 PolarHBondContact O-N 3.05Å; L496-L500 HydrophobicContact CD1-CG 4.46Å; L496-L500 HydrophobicContact CG-CD1 4.34Å; L496-L500 WeakPolarHBondContact O-CG 3.44Å; L496-L500 PolarHBondContact O-N 2.77Å
497	S	95.2	Very high	94.6	Very high	77 Å²	77	52.4 Å²	52.4	54%	0.538	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-44.2	176.2	-176.3	0	0	0	0	112.1	M493 E494 R495 L500 R501	M493-S497 PolarHBondContact O-N 3.41Å; E494-S497 WeakPolarHBondContact O-CB 3.49Å; E494-S497 PolarHBondContact O-N 3.13Å; E494-S497 VanDerWaalsContact O-N 3.13Å; R495-S497 VanDerWaalsContact C-N 3.31Å; R495-S497 PolarHBondContact O-N 3.45Å; S497-L500 PolarHBondContact O-N 2.9Å; S497-R501 WeakPolarHBondContact O-CB 3.42Å; S497-R501 PolarHBondContact O-N 2.73Å
498	L	97	Very high	94.9	Very high	24 Å²	24	54 Å²	54	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-38.1	178.3	-65.1	166.3	0	0	0	112.3	T327 R330 L331 L334 E494 R495 L496 R501 L502	T327-L498 HydrophobicContact CG2-CB 3.92Å; T327-L498 HydrophobicContact CG2-CD2 3.78Å; T327-L498 HydrophobicContact CG2-CG 4.44Å; T327-L498 WeakPolarHBondContact CG2-O 3.46Å; R330-L498 HydrophobicContact CB-CD1 4.04Å; R330-L498 HydrophobicContact CB-CD2 4.26Å; R330-L498 HydrophobicContact CG-CD1 3.58Å; R330-L498 HydrophobicContact CG-CD2 4.08Å; R330-L498 HydrophobicContact CG-CG 4.49Å; L331-L498 HydrophobicContact CD1-CB 4.49Å; L331-L498 HydrophobicContact CD2-CB 3.9Å; L331-L498 HydrophobicContact CD2-CD1 3.89Å; L331-L498 HydrophobicContact CG-CB 4.02Å; L331-L498 HydrophobicContact CG-CD1 4.02Å; L334-L498 HydrophobicContact CD1-CD1 3.54Å; E494-L498 HydrophobicContact CG-CD1 4.24Å; E494-L498 VanDerWaalsContact O-CG 3.31Å; E494-L498 WeakPolarHBondContact O-CG 3.28Å; E494-L498 PolarHBondContact O-N 2.88Å; R495-L498 PolarHBondContact O-N 3.48Å; L496-L498 PolarHBondContact O-N 2.97Å; L498-R501 WeakPolarHBondContact O-CB 3.22Å; L498-R501 PolarHBondContact O-N 3.44Å; L498-L502 WeakPolarHBondContact O-CG 3.46Å; L498-L502 PolarHBondContact O-N 3.2Å
499	L	94.6	Very high	95.1	Very high	38 Å²	38	55.5 Å²	55.5	20%	0.199	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-45.2	175.3	-70.4	169.3	0	0	0	111.5	L331 Y414 I416 R495 L496 R501 L502 D503	L331-L499 HydrophobicContact CD1-CD2 4.3Å; Y414-L499 HydrophobicContact CD2-CD1 3.97Å; Y414-L499 HydrophobicContact CD2-CD2 4.22Å; Y414-L499 HydrophobicContact CD2-CG 4.49Å; Y414-L499 HydrophobicContact CE2-CD2 4.29Å; I416-L499 HydrophobicContact CD1-CD1 3.61Å; R495-L499 WeakPolarHBondContact O-CB 3.4Å; R495-L499 WeakPolarHBondContact O-CG 3.26Å; R495-L499 PolarHBondContact O-N 3.29Å; L496-L499 PolarHBondContact O-N 3.05Å; L499-R501 PolarHBondContact O-N 3.43Å; L499-L502 WeakPolarHBondContact O-CB 3.38Å; L499-L502 PolarHBondContact O-N 3.05Å; L499-L502 VanDerWaalsContact O-N 3.16Å; L499-D503 PolarHBondContact O-N 3.12Å
500	L	93.4	Very high	95.2	Very high	98 Å²	98	62.6 Å²	62.6	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-37.2	173.7	-69.9	173.2	0	0	0	111.3	L496 S497 D503 E504	L496-L500 HydrophobicContact CD1-CG 4.46Å; L496-L500 HydrophobicContact CG-CD1 4.34Å; L496-L500 WeakPolarHBondContact O-CG 3.44Å; L496-L500 PolarHBondContact O-N 2.77Å; S497-L500 PolarHBondContact O-N 2.9Å; L500-D503 PolarHBondContact O-N 2.97Å; L500-E504 WeakPolarHBondContact O-CG 3.16Å; L500-E504 PolarHBondContact O-N 3.21Å
501	R	96.2	Very high	95.3	Very high	110 Å²	110	64.1 Å²	64.1	42%	0.415	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-40.3	175.1	-175.3	56.4	172.1	-174.9	-3.4	112.4	T327 S497 L498 L499 D503 E504 I505	T327-R501 HydrophobicContact CG2-CB 4.41Å; T327-R501 HydrophobicContact CG2-CG 4.42Å; S497-R501 WeakPolarHBondContact O-CB 3.42Å; S497-R501 PolarHBondContact O-N 2.73Å; L498-R501 WeakPolarHBondContact O-CB 3.22Å; L498-R501 PolarHBondContact O-N 3.44Å; L499-R501 PolarHBondContact O-N 3.43Å; R501-D503 VanDerWaalsContact C-N 3.34Å; R501-E504 WeakPolarHBondContact CD-OE2 3.18Å; R501-E504 IonicContact CZ-OE2 3.15Å; R501-E504 IonicContact NH1-OE2 3.21Å; R501-E504 PolarHBondContact NH1-OE2 2.9Å; R501-E504 WeakPolarHBondContact O-CB 3.5Å; R501-E504 PolarHBondContact O-N 3.09Å; R501-I505 HydrophobicContact CG-CD1 4.25Å; R501-I505 VanDerWaalsContact O-CG1 3.3Å; R501-I505 WeakPolarHBondContact O-CG1 3.44Å; R501-I505 PolarHBondContact O-N 3.42Å
502	L	96.3	Very high	95.3	Very high	22 Å²	22	64.2 Å²	64.2	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-40.4	174.1	-73.3	171.9	0	0	0	111.8	R324 T327 E328 L331 L498 L499 I505 N506	R324-L502 HydrophobicContact CG-CD2 3.98Å; T327-L502 HydrophobicContact CG2-CD1 4.39Å; T327-L502 HydrophobicContact CG2-CD2 3.92Å; T327-L502 HydrophobicContact CG2-CG 3.75Å; E328-L502 HydrophobicContact CG-CD1 4.43Å; E328-L502 HydrophobicContact CG-CD2 4.17Å; L331-L502 HydrophobicContact CD1-CD1 3.75Å; L498-L502 WeakPolarHBondContact O-CG 3.46Å; L498-L502 PolarHBondContact O-N 3.2Å; L499-L502 WeakPolarHBondContact O-CB 3.38Å; L499-L502 PolarHBondContact O-N 3.05Å; L499-L502 VanDerWaalsContact O-N 3.16Å; L502-I505 PolarHBondContact O-N 3.2Å; L502-N506 WeakPolarHBondContact O-CB 3.34Å; L502-N506 PolarHBondContact O-N 3.11Å; L502-N506 PolarHBondContact O-ND2 3.32Å
503	D	94.3	Very high	95.2	Very high	94 Å²	94	66.7 Å²	66.7	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-43.1	175.4	-73.1	-24.5	0	0	0	111.9	L499 L500 R501 I505 N506 D507	L499-D503 PolarHBondContact O-N 3.12Å; L500-D503 PolarHBondContact O-N 2.97Å; R501-D503 VanDerWaalsContact C-N 3.34Å; D503-I505 VanDerWaalsContact C-N 3.32Å; D503-I505 PolarHBondContact O-N 3.32Å; D503-N506 PolarHBondContact O-N 3.23Å; D503-D507 PolarHBondContact O-N 3.16Å
504	E	96.2	Very high	95.1	Very high	97 Å²	97	66 Å²	66	45%	0.453	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-43.6	173.3	-71.4	176.8	176.2	0	0	112.1	L500 R501 D507 M508	L500-E504 WeakPolarHBondContact O-CG 3.16Å; L500-E504 PolarHBondContact O-N 3.21Å; R501-E504 WeakPolarHBondContact CD-OE2 3.18Å; R501-E504 IonicContact CZ-OE2 3.15Å; R501-E504 IonicContact NH1-OE2 3.21Å; R501-E504 PolarHBondContact NH1-OE2 2.9Å; R501-E504 WeakPolarHBondContact O-CB 3.5Å; R501-E504 PolarHBondContact O-N 3.09Å; E504-D507 PolarHBondContact O-N 2.95Å; E504-M508 WeakPolarHBondContact O-CB 3.33Å; E504-M508 VanDerWaalsContact O-CG 3.29Å; E504-M508 WeakPolarHBondContact O-CG 3.45Å; E504-M508 PolarHBondContact O-N 3.15Å
505	I	97.4	Very high	94.7	Very high	0 Å²	0	70 Å²	70	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-47.2	177.4	-68.7	165	0	0	0	110.4	L320 R324 R501 L502 D503 D507 M508 E509	L320-I505 HydrophobicContact CB-CG2 4.29Å; L320-I505 HydrophobicContact CD2-CG2 4.35Å; R324-I505 HydrophobicContact CB-CG2 4.24Å; R501-I505 HydrophobicContact CG-CD1 4.25Å; R501-I505 VanDerWaalsContact O-CG1 3.3Å; R501-I505 WeakPolarHBondContact O-CG1 3.44Å; R501-I505 PolarHBondContact O-N 3.42Å; L502-I505 PolarHBondContact O-N 3.2Å; D503-I505 VanDerWaalsContact C-N 3.32Å; D503-I505 PolarHBondContact O-N 3.32Å; I505-D507 VanDerWaalsContact C-N 3.33Å; I505-D507 PolarHBondContact O-N 2.78Å; I505-M508 HydrophobicContact CG1-CE 4.19Å; I505-M508 PolarHBondContact O-N 2.72Å; I505-E509 PolarHBondContact O-N 3.23Å
506	N	95.7	Very high	94.3	Very high	62 Å²	62	71.6 Å²	71.6	33%	0.332	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-41.6	178.1	-67.4	-24.6	0	0	0	111.9	R324 L502 D503 E509 R510	R324-N506 PolarHBondContact NH2-OD1 2.82Å; L502-N506 WeakPolarHBondContact O-CB 3.34Å; L502-N506 PolarHBondContact O-N 3.11Å; L502-N506 PolarHBondContact O-ND2 3.32Å; D503-N506 PolarHBondContact O-N 3.23Å; N506-E509 PolarHBondContact O-N 2.96Å; N506-R510 WeakPolarHBondContact O-CB 3.1Å; N506-R510 PolarHBondContact O-N 3.12Å
507	D	96.1	Very high	93.9	Very high	69 Å²	69	76.7 Å²	76.7	37%	0.369	37%	0.369	S	S	.	.	H	α-helix	trans	-70.2	-34.8	176.6	-83.1	-13.5	0	0	0	112.7	D503 E504 I505 R510 R511	D503-D507 PolarHBondContact O-N 3.16Å; E504-D507 PolarHBondContact O-N 2.95Å; I505-D507 VanDerWaalsContact C-N 3.33Å; I505-D507 PolarHBondContact O-N 2.78Å; D507-R510 IonicContact OD1-CZ 3.03Å; D507-R510 IonicContact OD1-NH1 3.17Å; D507-R510 PolarHBondContact OD1-NH1 2.95Å; D507-R510 IonicContact OD1-NH2 2.87Å; D507-R511 WeakPolarHBondContact O-CB 3.4Å; D507-R511 VanDerWaalsContact O-CG 3.31Å; D507-R511 WeakPolarHBondContact O-CG 3.27Å; D507-R511 PolarHBondContact O-N 3.12Å; D507-R511 VanDerWaalsContact O-N 3.1Å; D507-R511 PolarHBondContact O-NE 3.43Å
508	M	96.7	Very high	93.2	Very high	60 Å²	60	76.2 Å²	76.2	30%	0.296	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-46.3	172.5	-75.6	-171.8	-71.1	0	0	111.7	L320 E504 I505 R511 I512	L320-M508 HydrophobicContact CD1-CB 3.82Å; L320-M508 HydrophobicContact CD2-CB 4.22Å; L320-M508 HydrophobicContact CD2-CE 3.59Å; L320-M508 HydrophobicContact CD2-SD 4.17Å; E504-M508 WeakPolarHBondContact O-CB 3.33Å; E504-M508 VanDerWaalsContact O-CG 3.29Å; E504-M508 WeakPolarHBondContact O-CG 3.45Å; E504-M508 PolarHBondContact O-N 3.15Å; I505-M508 HydrophobicContact CG1-CE 4.19Å; I505-M508 PolarHBondContact O-N 2.72Å; M508-R511 PolarHBondContact O-N 3.42Å; M508-I512 WeakPolarHBondContact O-CG1 3.25Å; M508-I512 PolarHBondContact O-N 3.18Å
509	E	96.8	Very high	92.1	Very high	61 Å²	61	76.4 Å²	76.4	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-58.6	-49.2	175.8	176.5	173	-164.9	0	0	111	L317 R324 I505 N506 R511 I512 N513	L317-E509 HydrophobicContact CD2-CB 4.38Å; L317-E509 HydrophobicContact CD2-CG 3.84Å; R324-E509 IonicContact CZ-OE2 2.92Å; R324-E509 IonicContact NH1-OE2 3.9Å; R324-E509 PolarHBondContact NH1-OE2 2.82Å; R324-E509 VanDerWaalsContact NH1-OE2 3.11Å; R324-E509 IonicContact NH2-OE2 2.79Å; R324-E509 PolarHBondContact NH2-OE2 3.49Å; I505-E509 PolarHBondContact O-N 3.23Å; N506-E509 PolarHBondContact O-N 2.96Å; E509-R511 VanDerWaalsContact C-N 3.3Å; E509-R511 PolarHBondContact O-N 3.13Å; E509-I512 PolarHBondContact O-N 2.95Å; E509-I512 VanDerWaalsContact O-N 3.07Å; E509-N513 PolarHBondContact O-N 3.04Å
510	R	95.4	Very high	90.9	Very high	152 Å²	152	76.9 Å²	76.9	57%	0.574	39%	0.387	S	S	*	.	H	α-helix	trans	-55.9	-44.6	177.1	-169.1	-172	-62.2	132.4	5.2	111.6	N506 D507 I512 N513 V514	N506-R510 WeakPolarHBondContact O-CB 3.1Å; N506-R510 PolarHBondContact O-N 3.12Å; D507-R510 IonicContact OD1-CZ 3.03Å; D507-R510 IonicContact OD1-NH1 3.17Å; D507-R510 PolarHBondContact OD1-NH1 2.95Å; D507-R510 IonicContact OD1-NH2 2.87Å; R510-I512 VanDerWaalsContact C-N 3.34Å; R510-I512 PolarHBondContact O-N 3.3Å; R510-N513 PolarHBondContact O-N 3.42Å; R510-V514 WeakPolarHBondContact O-CB 3.47Å; R510-V514 VanDerWaalsContact O-CG2 3.31Å; R510-V514 WeakPolarHBondContact O-CG2 3.43Å; R510-V514 PolarHBondContact O-N 2.91Å
511	R	94.8	Very high	90.1	Very high	147 Å²	147	75.5 Å²	75.5	56%	0.555	38%	0.38	S	S	*	.	H	α-helix	trans	-66.1	-32.7	178.1	-77.4	178.7	-71.3	-155.6	0.2	113.3	D507 M508 E509 R515	D507-R511 WeakPolarHBondContact O-CB 3.4Å; D507-R511 VanDerWaalsContact O-CG 3.31Å; D507-R511 WeakPolarHBondContact O-CG 3.27Å; D507-R511 PolarHBondContact O-N 3.12Å; D507-R511 VanDerWaalsContact O-N 3.1Å; D507-R511 PolarHBondContact O-NE 3.43Å; M508-R511 PolarHBondContact O-N 3.42Å; E509-R511 VanDerWaalsContact C-N 3.3Å; E509-R511 PolarHBondContact O-N 3.13Å; R511-R515 WeakPolarHBondContact O-CG 2.85Å; R511-R515 PolarHBondContact O-N 3.47Å; R511-R515 PolarHBondContact O-NE 3.34Å; R511-R515 VanDerWaalsContact O-NE 3.16Å
512	I	93.8	Very high	89	Confident	8 Å²	8	76 Å²	76	4%	0.041	39%	0.39	C	S	.	.	H	α-helix	trans	-69.4	-48.9	173.6	-67.6	164.2	0	0	0	109.6	A313 K316 L317 L320 M508 E509 R510 V514 R515 L516	A313-I512 HydrophobicContact CB-CG2 3.84Å; K316-I512 HydrophobicContact CB-CD1 4.03Å; L317-I512 HydrophobicContact CD1-CG2 3.99Å; L317-I512 HydrophobicContact CD2-CB 4.13Å; L317-I512 HydrophobicContact CD2-CD1 4.12Å; L317-I512 HydrophobicContact CD2-CG2 3.98Å; L317-I512 HydrophobicContact CG-CD1 4.43Å; L317-I512 HydrophobicContact CG-CG2 3.85Å; L320-I512 HydrophobicContact CD1-CD1 3.6Å; M508-I512 WeakPolarHBondContact O-CG1 3.25Å; M508-I512 PolarHBondContact O-N 3.18Å; E509-I512 PolarHBondContact O-N 2.95Å; E509-I512 VanDerWaalsContact O-N 3.07Å; R510-I512 VanDerWaalsContact C-N 3.34Å; R510-I512 PolarHBondContact O-N 3.3Å; I512-V514 PolarHBondContact O-N 2.92Å; I512-R515 VanDerWaalsContact CG1-NH2 3.34Å; I512-R515 PolarHBondContact O-N 2.65Å; I512-R515 VanDerWaalsContact O-N 3.11Å; I512-L516 HydrophobicContact CG2-CD1 4.04Å; I512-L516 HydrophobicContact CG2-CG 4.39Å; I512-L516 WeakPolarHBondContact O-CG 3.3Å; I512-L516 PolarHBondContact O-N 2.87Å
513	N	92.7	Very high	87.9	Confident	61 Å²	61	80.1 Å²	80.1	33%	0.326	41%	0.41	S	S	.	.	H	α-helix	trans	-61.5	-42.7	-178.8	-70.6	-21.5	0	0	0	112.3	E509 R510 R515 L516 L517	E509-N513 PolarHBondContact O-N 3.04Å; R510-N513 PolarHBondContact O-N 3.42Å; N513-R515 VanDerWaalsContact C-N 3.33Å; N513-R515 PolarHBondContact O-N 2.73Å; N513-L516 PolarHBondContact O-N 2.97Å; N513-L517 WeakPolarHBondContact O-CG 2.99Å; N513-L517 PolarHBondContact O-N 3.48Å
514	V	89.9	Confident	86.9	Confident	86 Å²	86	78 Å²	78	52%	0.521	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-41.6	174.5	170.1	0	0	0	0	111.6	R510 I512 L517 S518	R510-V514 WeakPolarHBondContact O-CB 3.47Å; R510-V514 VanDerWaalsContact O-CG2 3.31Å; R510-V514 WeakPolarHBondContact O-CG2 3.43Å; R510-V514 PolarHBondContact O-N 2.91Å; I512-V514 PolarHBondContact O-N 2.92Å; V514-L517 PolarHBondContact O-N 3.31Å; V514-S518 WeakPolarHBondContact O-CB 3.25Å; V514-S518 PolarHBondContact O-N 3.06Å; V514-S518 PolarHBondContact O-OG 3.31Å
515	R	86.9	Confident	85.8	Confident	153 Å²	153	74.5 Å²	74.5	58%	0.577	38%	0.383	S	S	*	.	H	α-helix	trans	-66.8	-35.9	177.3	-76	-176.6	-65.7	164.5	-1.4	113	R511 I512 N513 L517 G519	R511-R515 WeakPolarHBondContact O-CG 2.85Å; R511-R515 PolarHBondContact O-N 3.47Å; R511-R515 PolarHBondContact O-NE 3.34Å; R511-R515 VanDerWaalsContact O-NE 3.16Å; I512-R515 VanDerWaalsContact CG1-NH2 3.34Å; I512-R515 PolarHBondContact O-N 2.65Å; I512-R515 VanDerWaalsContact O-N 3.11Å; N513-R515 VanDerWaalsContact C-N 3.33Å; N513-R515 PolarHBondContact O-N 2.73Å; R515-L517 VanDerWaalsContact C-N 3.32Å; R515-G519 PolarHBondContact O-N 2.9Å; R515-G519 VanDerWaalsContact O-N 3.12Å
516	L	87.4	Confident	84.7	Confident	39 Å²	39	79.3 Å²	79.3	20%	0.204	41%	0.406	C	S	.	.	H	α-helix	trans	-67	-35.6	175.8	-73.3	175.4	0	0	0	112.2	R306 V310 A313 L317 I512 N513	R306-L516 PolarHBondContact NH1-O 3.2Å; V310-L516 HydrophobicContact CB-CD2 4.5Å; V310-L516 HydrophobicContact CG2-CD2 3.99Å; A313-L516 HydrophobicContact CB-CD1 4.01Å; A313-L516 HydrophobicContact CB-CD2 3.74Å; A313-L516 HydrophobicContact CB-CG 4.1Å; L317-L516 HydrophobicContact CD1-CD1 4.26Å; I512-L516 HydrophobicContact CG2-CD1 4.04Å; I512-L516 HydrophobicContact CG2-CG 4.39Å; I512-L516 WeakPolarHBondContact O-CG 3.3Å; I512-L516 PolarHBondContact O-N 2.87Å; N513-L516 PolarHBondContact O-N 2.97Å
517	L	85.2	Confident	83.6	Confident	153 Å²	153	82.1 Å²	82.1	80%	0.801	42%	0.421	S	S	*	.	H	α-helix	trans	-75.7	-39	176.2	-71	169.7	0	0	0	112.8	N513 V514 R515	N513-L517 WeakPolarHBondContact O-CG 2.99Å; N513-L517 PolarHBondContact O-N 3.48Å; V514-L517 PolarHBondContact O-N 3.31Å; R515-L517 VanDerWaalsContact C-N 3.32Å
518	S	81.5	Confident	82.2	Confident	67 Å²	67	83.5 Å²	83.5	47%	0.469	43%	0.428	S	S	.	.	H	α-helix	trans	-80.3	-26.3	-176.2	68.3	0	0	0	0	114.1	V514 N521	V514-S518 WeakPolarHBondContact O-CB 3.25Å; V514-S518 PolarHBondContact O-N 3.06Å; V514-S518 PolarHBondContact O-OG 3.31Å; S518-N521 PolarHBondContact O-ND2 3.08Å
519	G	72.4	Confident	80.7	Confident	28 Å²	28	86.4 Å²	86.4	29%	0.289	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	131.4	-174.1	0	0	0	0	0	114.3	R306 R515	R306-G519 PolarHBondContact NH1-O 3.41Å; R515-G519 PolarHBondContact O-N 2.9Å; R515-G519 VanDerWaalsContact O-N 3.12Å
520	G	70.3	Confident	79	Confident	48 Å²	48	89 Å²	89	50%	0.495	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	21.8	175.6	0	0	0	0	0	113.9	D524	G520-D524 PolarHBondContact N-OD2 3.5Å
521	N	75.5	Confident	77.4	Confident	69 Å²	69	88.6 Å²	88.6	37%	0.369	46%	0.464	S	S	.	.			trans	-71	164.3	171.2	65.3	58.2	0	0	0	110.7	S518 M523 D524 L525	S518-N521 PolarHBondContact O-ND2 3.08Å; N521-M523 PolarHBondContact O-N 3.42Å; N521-M523 WeakPolarHBondContact OD1-CA 3.36Å; N521-M523 VanDerWaalsContact OD1-CB 3.31Å; N521-M523 WeakPolarHBondContact OD1-CB 3.46Å; N521-M523 PolarHBondContact OD1-N 2.83Å; N521-D524 PolarHBondContact N-OD2 3.16Å; N521-D524 VanDerWaalsContact ND2-CG 3.31Å; N521-D524 PolarHBondContact ND2-OD1 3.38Å; N521-D524 PolarHBondContact ND2-OD2 2.76Å; N521-D524 WeakPolarHBondContact O-CB 3.21Å; N521-D524 PolarHBondContact O-N 2.86Å; N521-D524 VanDerWaalsContact OD1-CG 3.3Å; N521-D524 PolarHBondContact OD1-N 3.33Å; N521-D524 PolarHBondContact OD1-OD1 2.98Å; N521-L525 PolarHBondContact O-N 2.91Å
522	I	73.6	Confident	75.6	Confident	120 Å²	120	87.6 Å²	87.6	62%	0.615	47%	0.474	S	S	*	.	H	α-helix	trans	-62.9	-27	-178.7	-164.6	159.5	0	0	0	112.8	L525 M526	I522-L525 WeakPolarHBondContact O-CB 3.44Å; I522-L525 PolarHBondContact O-N 3.24Å; I522-M526 WeakPolarHBondContact O-CG 3.44Å; I522-M526 PolarHBondContact O-N 3.3Å
523	M	73.7	Confident	74	Confident	109 Å²	109	94.8 Å²	94.8	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-70.8	-39.9	177.2	-66.9	-63	-71.1	0	0	111.3	N521 L525 M526 L527	N521-M523 PolarHBondContact O-N 3.42Å; N521-M523 WeakPolarHBondContact OD1-CA 3.36Å; N521-M523 VanDerWaalsContact OD1-CB 3.31Å; N521-M523 WeakPolarHBondContact OD1-CB 3.46Å; N521-M523 PolarHBondContact OD1-N 2.83Å; M523-L525 VanDerWaalsContact C-N 3.28Å; M523-L525 PolarHBondContact O-N 3.33Å; M523-M526 PolarHBondContact O-N 3.05Å; M523-L527 HydrophobicContact CE-CD1 3.78Å; M523-L527 HydrophobicContact CE-CG 4.42Å; M523-L527 VanDerWaalsContact O-CB 3.3Å; M523-L527 WeakPolarHBondContact O-CB 3.37Å; M523-L527 WeakPolarHBondContact O-CG 3.22Å; M523-L527 PolarHBondContact O-N 3.06Å
524	D	73.3	Confident	72.2	Confident	48 Å²	48	101 Å²	101	26%	0.257	53%	0.534	S	S	.	.	H	α-helix	trans	-59.5	-43.3	172.7	-64.1	-21.7	0	0	0	110	G520 N521 M526 N528	G520-D524 PolarHBondContact N-OD2 3.5Å; N521-D524 PolarHBondContact N-OD2 3.16Å; N521-D524 VanDerWaalsContact ND2-CG 3.31Å; N521-D524 PolarHBondContact ND2-OD1 3.38Å; N521-D524 PolarHBondContact ND2-OD2 2.76Å; N521-D524 WeakPolarHBondContact O-CB 3.21Å; N521-D524 PolarHBondContact O-N 2.86Å; N521-D524 VanDerWaalsContact OD1-CG 3.3Å; N521-D524 PolarHBondContact OD1-N 3.33Å; N521-D524 PolarHBondContact OD1-OD1 2.98Å; D524-M526 VanDerWaalsContact C-N 3.31Å; D524-M526 PolarHBondContact O-N 3.44Å; D524-N528 VanDerWaalsContact O-CB 3.31Å; D524-N528 WeakPolarHBondContact O-CB 3.35Å; D524-N528 PolarHBondContact O-N 3.38Å
525	L	73.6	Confident	70.1	Confident	25 Å²	25	109.8 Å²	109.8	13%	0.131	57%	0.569	C	S	.	*	H	α-helix	trans	-62.4	-35.3	177.6	178.1	64	0	0	0	113	L295 R298 I299 I302 N521 I522 M523	L295-L525 HydrophobicContact CD2-CD2 3.85Å; L295-L525 HydrophobicContact CD2-CG 4.07Å; R298-L525 HydrophobicContact CB-CD1 3.59Å; R298-L525 WeakPolarHBondContact CD-O 3.48Å; R298-L525 PolarHBondContact NH1-O 3.18Å; I299-L525 HydrophobicContact CD1-CD2 4.49Å; I299-L525 HydrophobicContact CG1-CD1 3.98Å; I299-L525 HydrophobicContact CG1-CD2 3.89Å; I302-L525 HydrophobicContact CD1-CB 4.1Å; I302-L525 HydrophobicContact CD1-CD1 3.4Å; I302-L525 HydrophobicContact CD1-CG 4.36Å; N521-L525 PolarHBondContact O-N 2.91Å; I522-L525 WeakPolarHBondContact O-CB 3.44Å; I522-L525 PolarHBondContact O-N 3.24Å; M523-L525 VanDerWaalsContact C-N 3.28Å; M523-L525 PolarHBondContact O-N 3.33Å
526	M	72.6	Confident	69.2	Low	100 Å²	100	107.6 Å²	107.6	49%	0.493	57%	0.569	S	S	.	*	H	α-helix	trans	-85.9	-38.3	-178.3	-71.7	-167.8	70.1	0	0	113.4	R298 I522 M523 D524	R298-M526 PolarHBondContact NH1-O 3.28Å; I522-M526 WeakPolarHBondContact O-CG 3.44Å; I522-M526 PolarHBondContact O-N 3.3Å; M523-M526 PolarHBondContact O-N 3.05Å; D524-M526 VanDerWaalsContact C-N 3.31Å; D524-M526 PolarHBondContact O-N 3.44Å
527	L	73.3	Confident	68.3	Low	122 Å²	122	111.2 Å²	111.2	64%	0.639	59%	0.588	S	S	*	*	H	α-helix	trans	-95.9	-29.3	-170.8	-62.8	179.4	0	0	0	114.2	M523	M523-L527 HydrophobicContact CE-CD1 3.78Å; M523-L527 HydrophobicContact CE-CG 4.42Å; M523-L527 VanDerWaalsContact O-CB 3.3Å; M523-L527 WeakPolarHBondContact O-CB 3.37Å; M523-L527 WeakPolarHBondContact O-CG 3.22Å; M523-L527 PolarHBondContact O-N 3.06Å
528	N	67.6	Low	67.3	Low	97 Å²	97	108.9 Å²	108.9	52%	0.519	58%	0.576	S	S	.	*			trans	-98.1	104.4	-175.9	-61.5	-32.4	0	0	0	110.5	D524	D524-N528 VanDerWaalsContact O-CB 3.31Å; D524-N528 WeakPolarHBondContact O-CB 3.35Å; D524-N528 PolarHBondContact O-N 3.38Å
529	E	65.4	Low	66.5	Low	121 Å²	121	111.4 Å²	111.4	57%	0.565	58%	0.582	S	S	*	*			trans	-98.6	103.5	167.3	-169.3	177.4	146	0	0	108.8	R298 K531	R298-E529 IonicContact NH2-OE2 3.44Å; R298-E529 PolarHBondContact NH2-OE2 3.36Å; E529-K531 HydrophobicContact CG-CG 4.37Å; E529-K531 PolarHBondContact O-N 3.25Å; E529-K531 WeakPolarHBondContact OE1-CE 2.83Å; E529-K531 IonicContact OE1-NZ 2.74Å
530	T	60.7	Low	66.1	Low	115 Å²	115	116.6 Å²	116.6	71%	0.706	60%	0.601	S	S	*	*			trans	-82	101.1	171.6	-43	0	0	0	0	108.6	V532	T530-V532 PolarHBondContact O-N 2.77Å
531	K	61	Low	65.9	Low	144 Å²	144	121.1 Å²	121.1	63%	0.626	61%	0.608	S	S	*	*			trans	-79.7	111	166.7	-66.5	-172.9	178.1	-176.6	0	108	E529 H533	E529-K531 HydrophobicContact CG-CG 4.37Å; E529-K531 PolarHBondContact O-N 3.25Å; E529-K531 WeakPolarHBondContact OE1-CE 2.83Å; E529-K531 IonicContact OE1-NZ 2.74Å; K531-H533 PolarHBondContact O-N 3.28Å
532	V	57.8	Low	65.2	Low	127 Å²	127	124.9 Å²	124.9	77%	0.77	63%	0.625	S	S	*	*			trans	-72.7	112.8	167.9	-176.5	0	0	0	0	106	T530	T530-V532 PolarHBondContact O-N 2.77Å
533	H	60.6	Low	64.5	Low	159 Å²	159	125.2 Å²	125.2	74%	0.736	63%	0.626	S	S	*	*			trans	-76.3	123.3	165.9	-66.5	-76.2	0	0	0	106.6	K531 E535	K531-H533 PolarHBondContact O-N 3.28Å; H533-E535 PolarHBondContact O-N 2.68Å
534	E	53.3	Low	63.8	Low	191 Å²	191	126.6 Å²	126.6	89%	0.893	63%	0.633	S	S	*	*			trans	-63.2	131.9	165.8	-68.5	-177.3	162.7	0	0	107.6
535	E	45.9	Very low	62.9	Low	270 Å²	270	133.7 Å²	133.7	100%	1.262	67%	0.667	S	S	*	*			trans	-65.7	0	-176.2	-70.7	-178.7	161.2	0	0	113	H533	H533-E535 PolarHBondContact O-N 2.68Å

Retrieved 535 of 535 residues in 82.7 ms (Link to these results)

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