A0A5K4EKV6_SCHMA Loading...

Arginyl-tRNA--protein transferase 1

Involved in the post-translational conjugation of arginine to the N-terminal aspartate or glutamate of a protein. This arginylation is required for degradation of the protein via the ubiquitin pathway.

AlphaFold DB , UniProt , Accession A0A5K4EKV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 419 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	41.7	Very low	77.1	Confident	236 Å²	236	104.7 Å²	104.7	100%	1.163	56%	0.56	S	S	*	*				0	120.7	0	-77	171	177.8	0	0	107.2	L3	M1-L3 PolarHBondContact O-N 3.3Å
2	K	55.7	Low	78.8	Confident	213 Å²	213	102.8 Å²	102.8	93%	0.926	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-65.2	120.2	162.6	-77.9	-177	175.7	-178.7	0	105.6	C4	K2-C4 PolarHBondContact O-N 2.95Å
3	L	59.1	Low	80	Confident	161 Å²	161	104.7 Å²	104.7	84%	0.843	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-59.1	127.5	170.4	-71.9	163.8	0	0	0	106.5	M1 T5	M1-L3 PolarHBondContact O-N 3.3Å; L3-T5 PolarHBondContact O-N 2.87Å
4	C	62.9	Low	81	Confident	62 Å²	62	98 Å²	98	42%	0.419	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-55.4	128	170.9	178.2	0	0	0	0	107.4	K2 N6 D342	K2-C4 PolarHBondContact O-N 2.95Å; C4-N6 PolarHBondContact O-N 2.82Å; C4-N6 VanDerWaalsContact SG-C 3.59Å; C4-D342 PolarHBondContact SG-OD2 2.93Å; C4-D342 VanDerWaalsContact SG-OD2 3.34Å
5	T	73	Confident	81.8	Confident	118 Å²	118	97.5 Å²	97.5	72%	0.724	53%	0.526	S	S	*	.	S	Bend	trans	-72.9	-17.7	-177.4	73	0	0	0	0	111.4	L3 D342	L3-T5 PolarHBondContact O-N 2.87Å; T5-D342 PolarHBondContact N-OD2 3.15Å; T5-D342 PolarHBondContact OG1-OD1 3.4Å; T5-D342 PolarHBondContact OG1-OD2 3.15Å
6	N	80.6	Confident	82.3	Confident	46 Å²	46	95.4 Å²	95.4	25%	0.246	51%	0.511	C	S	.	.	S	Bend	trans	-137.3	64.6	-176.7	-150.8	15.2	0	0	0	113	C4 R41 T43	C4-N6 PolarHBondContact O-N 2.82Å; C4-N6 VanDerWaalsContact SG-C 3.59Å; N6-R41 WeakPolarHBondContact OD1-CD 3.4Å; N6-R41 PolarHBondContact OD1-NE 2.83Å; N6-R41 PolarHBondContact OD1-NH1 3.5Å; N6-T43 VanDerWaalsContact O-CG2 3.31Å; N6-T43 WeakPolarHBondContact O-CG2 3.4Å
7	P	89.7	Confident	82.5	Confident	71 Å²	71	93.6 Å²	93.6	46%	0.461	51%	0.508	S	S	.	.			trans	-69.6	153.8	-174.2	30.7	-35.8	0	0	0	112.4	R41	P7-R41 WeakPolarHBondContact O-CD 3.48Å
8	S	95	Very high	82.3	Confident	33 Å²	33	91.5 Å²	91.5	23%	0.231	50%	0.502	C	S	.	.			trans	-63.1	134.9	168.5	-63.3	0	0	0	0	111.2	R41 T43 D46	S8-R41 CarbonylContact C-O 3.54Å; S8-R41 WeakPolarHBondContact CA-O 3.39Å; S8-T43 PolarHBondContact OG-N 3.26Å; S8-D46 WeakPolarHBondContact CB-OD2 3.4Å; S8-D46 PolarHBondContact OG-OD2 3.47Å
9	L	96.2	Very high	82.2	Confident	83 Å²	83	88.8 Å²	88.8	44%	0.435	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.2	177	179.8	61.4	0	0	0	109.1	E40 R41	L9-E40 HydrophobicContact CD2-CB 4.18Å; L9-E40 WeakPolarHBondContact CD2-OE2 3.45Å; L9-E40 HydrophobicContact CG-CB 4.31Å; L9-E40 PolarHBondContact O-N 2.72Å; L9-R41 CarbonylContact C-O 3.53Å; L9-R41 HydrophobicContact CB-CB 4.25Å; L9-R41 PolarHBondContact N-O 3.11Å; L9-R41 PolarHBondContact O-N 2.82Å; L9-R41 VanDerWaalsContact O-O 3.13Å
10	V	96.9	Very high	82.2	Confident	56 Å²	56	91.5 Å²	91.5	34%	0.339	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.1	-176.8	-58.5	0	0	0	0	111.3	M37 M38 A39 L42	V10-M37 HydrophobicContact CB-SD 3.81Å; V10-M37 HydrophobicContact CG1-SD 3.85Å; V10-M37 HydrophobicContact CG2-SD 4.06Å; V10-M38 CarbonylContact C-O 3.5Å; V10-M38 VanDerWaalsContact CA-O 3.29Å; V10-M38 WeakPolarHBondContact CA-O 3.48Å; V10-A39 HydrophobicContact CG1-CB 4.06Å; V10-L42 HydrophobicContact CG1-CD1 4.48Å
11	I	97.6	Very high	82.2	Confident	73 Å²	73	87.2 Å²	87.2	37%	0.374	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	105	176	-56.4	171.8	0	0	0	107.1	Y13 M37 M38 E40	I11-Y13 HydrophobicContact CG2-CD1 4.39Å; I11-Y13 HydrophobicContact CG2-CE1 3.97Å; I11-M37 CarbonylContact O-C 3.5Å; I11-M37 VanDerWaalsContact O-CA 3.26Å; I11-M37 WeakPolarHBondContact O-CA 3.33Å; I11-M37 WeakPolarHBondContact O-CB 3.49Å; I11-M38 HydrophobicContact CB-CB 4.42Å; I11-M38 PolarHBondContact N-O 2.78Å; I11-M38 PolarHBondContact O-N 3.4Å; I11-E40 HydrophobicContact CD1-CG 4.49Å
12	P	96.8	Very high	83.9	Confident	81 Å²	81	77.6 Å²	77.6	53%	0.526	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.7	179.8	29.9	-34.4	0	0	0	110.9	W35	P12-W35 HydrophobicContact CB-CH2 3.58Å; P12-W35 HydrophobicContact CB-CZ2 4.16Å; P12-W35 HydrophobicContact CB-CZ3 4.3Å
13	Y	94.5	Very high	85.2	Confident	128 Å²	128	74.4 Å²	74.4	50%	0.502	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-22.6	171	-60.6	-25.9	0	0	0	112	I11 G36 M38 Y61	I11-Y13 HydrophobicContact CG2-CD1 4.39Å; I11-Y13 HydrophobicContact CG2-CE1 3.97Å; Y13-G36 WeakPolarHBondContact CA-O 3.35Å; Y13-G36 WeakPolarHBondContact CB-O 3.48Å; Y13-G36 PolarHBondContact N-O 3.38Å; Y13-M38 HydrophobicContact CE1-CB 4.33Å; Y13-M38 HydrophobicContact CE2-CB 4.04Å; Y13-M38 HydrophobicContact CE2-CE 4.25Å; Y13-M38 WeakPolarHBondContact OH-CB 3.4Å; Y13-Y61 HydrophobicContact CD2-CE2 4.07Å; Y13-Y61 HydrophobicContact CE2-CD2 4.39Å; Y13-Y61 HydrophobicContact CE2-CE2 4.38Å
14	G	94.4	Very high	86.4	Confident	11 Å²	11	68.8 Å²	68.8	11%	0.113	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.5	-165.6	-179.9	0	0	0	0	0	113.4	H16 W35 G36	G14-H16 PolarHBondContact O-ND1 2.88Å; G14-W35 WeakPolarHBondContact O-CA 3.39Å; G14-G36 PolarHBondContact N-O 3.46Å; G14-G36 PolarHBondContact O-N 3.07Å
15	P	93.1	Very high	87.1	Confident	90 Å²	90	73.1 Å²	73.1	58%	0.584	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.7	-179.5	30.3	-34.1	0	0	0	110.9	N34 L66	P15-N34 WeakPolarHBondContact CA-O 3.28Å; P15-L66 HydrophobicContact CB-CD1 3.73Å
16	H	89.8	Confident	86.8	Confident	64 Å²	64	71.3 Å²	71.3	30%	0.296	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.7	175.5	59.5	-75.3	0	0	0	110.9	G14 T33 N34 Y61	G14-H16 PolarHBondContact O-ND1 2.88Å; H16-T33 WeakPolarHBondContact O-CA 3.37Å; H16-T33 WeakPolarHBondContact O-CG2 3.33Å; H16-N34 PolarHBondContact N-O 3.27Å; H16-N34 PolarHBondContact ND1-O 3.24Å; H16-N34 PolarHBondContact O-N 3.25Å; H16-Y61 PolarHBondContact CE1-OH 3.11Å; H16-Y61 PolarHBondContact NE2-OH 3.31Å
17	S	85.6	Confident	85.9	Confident	65 Å²	65	74.3 Å²	74.3	46%	0.455	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	130.7	173.1	-59	0	0	0	0	110.1
18	S	78.5	Confident	84.4	Confident	56 Å²	56	74.6 Å²	74.6	39%	0.392	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	12.6	-179.2	60.2	0	0	0	0	113.9	K32 N34	S18-K32 PolarHBondContact N-O 3.3Å; S18-K32 WeakPolarHBondContact OG-CD 3.48Å; S18-K32 VanDerWaalsContact OG-CG 3.32Å; S18-K32 WeakPolarHBondContact OG-CG 3.04Å; S18-K32 PolarHBondContact OG-O 3.02Å; S18-N34 VanDerWaalsContact CB-ND2 3.28Å; S18-N34 WeakPolarHBondContact CB-ND2 3.44Å; S18-N34 PolarHBondContact OG-ND2 3.5Å
19	G	80.3	Confident	82.8	Confident	40 Å²	40	80 Å²	80	41%	0.412	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	110.5	-163.4	-178.1	0	0	0	0	0	113.5	K32	G19-K32 PolarHBondContact O-N 3.4Å
20	Q	81.9	Confident	81.1	Confident	142 Å²	142	79.2 Å²	79.2	66%	0.664	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	147.4	178.1	-69.9	177.6	-12.7	0	0	111	G22	Q20-G22 PolarHBondContact O-N 3.08Å
21	C	83.1	Confident	79.9	Confident	3 Å²	3	81.7 Å²	81.7	2%	0.02	46%	0.455	C	S	.	.			trans	-67.7	119.7	172.2	-179.9	0	0	0	0	110.4	Y23 K25 C71 C72	C21-Y23 PolarHBondContact O-N 3.05Å; C21-K25 WeakPolarHBondContact O-CA 3.24Å; C21-K25 PolarHBondContact O-N 3.01Å; C21-C71 WeakPolarHBondContact CB-SG 3.4Å; C21-C71 PolarHBondContact SG-SG 3.12Å; C21-C72 VanDerWaalsContact SG-CB 3.6Å; C21-C72 VanDerWaalsContact SG-SG 3.6Å
22	G	77.4	Confident	79.2	Confident	33 Å²	33	81.9 Å²	81.9	34%	0.34	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.9	178.7	0	0	0	0	0	114.4	Q20	Q20-G22 PolarHBondContact O-N 3.08Å
23	Y	82.5	Confident	78.8	Confident	147 Å²	147	78.8 Å²	78.8	58%	0.576	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-60.1	-178	-64.2	-75.1	0	0	0	112.9	C21 C72	C21-Y23 PolarHBondContact O-N 3.05Å; Y23-C72 HydrophobicContact CD2-CB 3.74Å; Y23-C72 HydrophobicContact CG-CB 4.08Å
24	C	85.2	Confident	78.7	Confident	43 Å²	43	73 Å²	73	29%	0.291	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-18.5	-178.8	66.5	0	0	0	0	113.2	N26 C71	C24-N26 PolarHBondContact O-N 3.28Å; C24-N26 PolarHBondContact O-OD1 2.87Å; C24-C71 PolarHBondContact SG-SG 3.26Å
25	K	76.4	Confident	78.7	Confident	153 Å²	153	76.2 Å²	76.2	67%	0.665	42%	0.419	S	S	*	.			trans	50.7	18.5	-176	-57.9	-173.5	177.9	-173	0	114.4	C21 S27	C21-K25 WeakPolarHBondContact O-CA 3.24Å; C21-K25 PolarHBondContact O-N 3.01Å; K25-S27 PolarHBondContact O-N 3.45Å
26	N	67	Low	78.9	Confident	79 Å²	79	72 Å²	72	42%	0.422	39%	0.391	S	S	.	.			trans	-66.6	131.4	-179.8	-78.7	-12.5	0	0	0	109.9	C24	C24-N26 PolarHBondContact O-N 3.28Å; C24-N26 PolarHBondContact O-OD1 2.87Å
27	S	62.6	Low	79.2	Confident	110 Å²	110	69.9 Å²	69.9	77%	0.769	38%	0.382	S	S	*	.			trans	-80.2	-18.3	177.6	57.1	0	0	0	0	113.3	K25 D29	K25-S27 PolarHBondContact O-N 3.45Å; S27-D29 PolarHBondContact O-N 2.92Å
28	S	58.7	Low	79.8	Confident	76 Å²	76	69 Å²	69	53%	0.531	37%	0.371	S	S	.	.	S	Bend	trans	-89.2	101.4	-175.2	56	0	0	0	0	111	D30	S28-D30 PolarHBondContact O-N 3.04Å
29	D	60	Low	80.7	Confident	147 Å²	147	66.4 Å²	66.4	79%	0.786	35%	0.353	S	S	*	.	S	Bend	trans	51.8	-10.9	165.1	-71.6	-31	0	0	0	121	S27 K31	S27-D29 PolarHBondContact O-N 2.92Å; D29-K31 PolarHBondContact O-N 3.35Å
30	D	61	Low	81.4	Confident	66 Å²	66	70.4 Å²	70.4	35%	0.353	36%	0.361	S	S	.	.			trans	-79.4	66.1	179.6	-82.5	-17.7	0	0	0	111.3	S28 C71	S28-D30 PolarHBondContact O-N 3.04Å; D30-C71 HydrophobicContact CB-CB 3.6Å; D30-C71 VanDerWaalsContact CG-CB 3.44Å; D30-C71 WeakPolarHBondContact OD2-CB 3.34Å
31	K	71.4	Confident	82	Confident	109 Å²	109	68.1 Å²	68.1	47%	0.474	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.5	-178.8	-65.7	177.6	-174.1	171	0	110.6	D29 T33	D29-K31 PolarHBondContact O-N 3.35Å; K31-T33 PolarHBondContact O-N 3.02Å; K31-T33 PolarHBondContact O-OG1 3.06Å
32	K	82.9	Confident	82.6	Confident	76 Å²	76	68.1 Å²	68.1	33%	0.33	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	112.3	170	179.1	-173.3	173.9	-176.4	0	108.8	S18 G19 T70	S18-K32 PolarHBondContact N-O 3.3Å; S18-K32 WeakPolarHBondContact OG-CD 3.48Å; S18-K32 VanDerWaalsContact OG-CG 3.32Å; S18-K32 WeakPolarHBondContact OG-CG 3.04Å; S18-K32 PolarHBondContact OG-O 3.02Å; G19-K32 PolarHBondContact O-N 3.4Å; K32-T70 HydrophobicContact CB-CG2 4.46Å; K32-T70 HydrophobicContact CG-CG2 4.39Å
33	T	89.7	Confident	83.5	Confident	17 Å²	17	66.7 Å²	66.7	10%	0.104	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.7	-174.6	-54.6	0	0	0	0	110.3	H16 K31 L66 I69 T70	H16-T33 WeakPolarHBondContact O-CA 3.37Å; H16-T33 WeakPolarHBondContact O-CG2 3.33Å; K31-T33 PolarHBondContact O-N 3.02Å; K31-T33 PolarHBondContact O-OG1 3.06Å; T33-L66 HydrophobicContact CG2-CD1 4.04Å; T33-L66 PolarHBondContact O-N 3.17Å; T33-I69 HydrophobicContact CG2-CD1 3.57Å; T33-T70 PolarHBondContact N-OG1 2.95Å; T33-T70 VanDerWaalsContact N-OG1 3.1Å; T33-T70 PolarHBondContact O-OG1 2.8Å
34	N	91.9	Very high	84	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.7	176.1	-50.7	-70.6	0	0	0	109.6	P15 H16 S18 K64 P65	P15-N34 WeakPolarHBondContact CA-O 3.28Å; H16-N34 PolarHBondContact N-O 3.27Å; H16-N34 PolarHBondContact ND1-O 3.24Å; H16-N34 PolarHBondContact O-N 3.25Å; S18-N34 VanDerWaalsContact CB-ND2 3.28Å; S18-N34 WeakPolarHBondContact CB-ND2 3.44Å; S18-N34 PolarHBondContact OG-ND2 3.5Å; N34-K64 WeakPolarHBondContact CA-O 3.43Å; N34-P65 WeakPolarHBondContact OD1-CA 3.28Å
35	W	95	Very high	84.4	Confident	80 Å²	80	58.9 Å²	58.9	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.3	157.7	-157.8	105.4	0	0	0	107.8	P12 G14 M37 W55 Y63 K64 L66	P12-W35 HydrophobicContact CB-CH2 3.58Å; P12-W35 HydrophobicContact CB-CZ2 4.16Å; P12-W35 HydrophobicContact CB-CZ3 4.3Å; G14-W35 WeakPolarHBondContact O-CA 3.39Å; W35-M37 HydrophobicContact CE3-CE 4.41Å; W35-M37 HydrophobicContact CH2-CE 3.89Å; W35-M37 HydrophobicContact CZ3-CB 3.96Å; W35-M37 HydrophobicContact CZ3-CE 3.39Å; W35-M37 HydrophobicContact CZ3-CG 4.3Å; W35-W55 HydrophobicContact CD2-CH2 4.04Å; W35-W55 AromaticContact CE3-CH2 3.23Å; W35-W55 HydrophobicContact CE3-CH2 3.23Å; W35-W55 HydrophobicContact CE3-CZ2 4.34Å; W35-W55 AromaticContact CE3-CZ3 3.75Å; W35-W55 HydrophobicContact CE3-CZ3 3.75Å; W35-W55 HydrophobicContact CH2-CH2 4.42Å; W35-W55 AromaticContact CZ3-CH2 3.46Å; W35-W55 HydrophobicContact CZ3-CH2 3.46Å; W35-W55 VanDerWaalsContact CZ3-CH2 3.46Å; W35-W55 HydrophobicContact CZ3-CZ3 4.05Å; W35-Y63 CarbonylContact O-C 3.57Å; W35-Y63 VanDerWaalsContact O-CA 3.27Å; W35-Y63 WeakPolarHBondContact O-CA 3.45Å; W35-K64 PolarHBondContact N-O 3.32Å; W35-K64 PolarHBondContact O-N 3.12Å; W35-L66 HydrophobicContact CB-CD1 4.48Å; W35-L66 HydrophobicContact CB-CD2 4.17Å; W35-L66 HydrophobicContact CB-CG 4.37Å
36	G	96.1	Very high	85.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.1	-176.5	0	0	0	0	0	114.4	Y13 G14 Y61 C62	Y13-G36 WeakPolarHBondContact CA-O 3.35Å; Y13-G36 WeakPolarHBondContact CB-O 3.48Å; Y13-G36 PolarHBondContact N-O 3.38Å; G14-G36 PolarHBondContact N-O 3.46Å; G14-G36 PolarHBondContact O-N 3.07Å; G36-Y61 WeakPolarHBondContact CA-OH 3.23Å; G36-C62 CarbonylContact C-O 3.54Å; G36-C62 WeakPolarHBondContact CA-O 3.27Å
37	M	97.2	Very high	86.7	Confident	21 Å²	21	51.1 Å²	51.1	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.2	168.4	58.7	175.5	74.3	0	0	110.4	V10 I11 W35 M50 W55 Y61 C62	V10-M37 HydrophobicContact CB-SD 3.81Å; V10-M37 HydrophobicContact CG1-SD 3.85Å; V10-M37 HydrophobicContact CG2-SD 4.06Å; I11-M37 CarbonylContact O-C 3.5Å; I11-M37 VanDerWaalsContact O-CA 3.26Å; I11-M37 WeakPolarHBondContact O-CA 3.33Å; I11-M37 WeakPolarHBondContact O-CB 3.49Å; W35-M37 HydrophobicContact CE3-CE 4.41Å; W35-M37 HydrophobicContact CH2-CE 3.89Å; W35-M37 HydrophobicContact CZ3-CB 3.96Å; W35-M37 HydrophobicContact CZ3-CE 3.39Å; W35-M37 HydrophobicContact CZ3-CG 4.3Å; M37-M50 HydrophobicContact CE-CE 4.36Å; M37-M50 HydrophobicContact SD-CE 3.89Å; M37-W55 HydrophobicContact CE-CH2 3.59Å; M37-W55 HydrophobicContact CE-CZ2 4.24Å; M37-W55 HydrophobicContact CE-CZ3 3.83Å; M37-W55 HydrophobicContact CG-CZ3 4.3Å; M37-Y61 VanDerWaalsContact O-CD2 3.29Å; M37-Y61 WeakPolarHBondContact O-CD2 3.48Å; M37-C62 HydrophobicContact CG-CB 3.83Å; M37-C62 PolarHBondContact N-O 3.04Å; M37-C62 PolarHBondContact O-N 3.27Å; M37-C62 HydrophobicContact SD-CB 4.47Å
38	M	97.5	Very high	88.2	Confident	47 Å²	47	46 Å²	46	23%	0.232	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.5	165.5	-172.8	63.7	64.8	0	0	109.1	V10 I11 Y13 T60	V10-M38 CarbonylContact C-O 3.5Å; V10-M38 VanDerWaalsContact CA-O 3.29Å; V10-M38 WeakPolarHBondContact CA-O 3.48Å; I11-M38 HydrophobicContact CB-CB 4.42Å; I11-M38 PolarHBondContact N-O 2.78Å; I11-M38 PolarHBondContact O-N 3.4Å; Y13-M38 HydrophobicContact CE1-CB 4.33Å; Y13-M38 HydrophobicContact CE2-CB 4.04Å; Y13-M38 HydrophobicContact CE2-CE 4.25Å; Y13-M38 WeakPolarHBondContact OH-CB 3.4Å; M38-T60 VanDerWaalsContact SD-CB 3.58Å; M38-T60 PolarHBondContact SD-OG1 3.04Å
39	A	97.6	Very high	89.9	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.4	170.7	0	0	0	0	0	109.1	V10 L42 T60 P337	V10-A39 HydrophobicContact CG1-CB 4.06Å; A39-L42 HydrophobicContact CB-CB 4.07Å; A39-L42 HydrophobicContact CB-CD2 4.5Å; A39-T60 PolarHBondContact N-O 2.95Å; A39-T60 WeakPolarHBondContact O-CB 3.26Å; A39-P337 HydrophobicContact CB-CB 3.63Å; A39-P337 HydrophobicContact CB-CG 3.91Å; A39-P337 WeakPolarHBondContact O-CB 3.28Å
40	E	95.3	Very high	91.7	Very high	125 Å²	125	43.2 Å²	43.2	58%	0.584	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	-35.4	166.7	-66.2	-169.7	175.6	0	0	110.3	L9 I11	L9-E40 HydrophobicContact CD2-CB 4.18Å; L9-E40 WeakPolarHBondContact CD2-OE2 3.45Å; L9-E40 HydrophobicContact CG-CB 4.31Å; L9-E40 PolarHBondContact O-N 2.72Å; I11-E40 HydrophobicContact CD1-CG 4.49Å
41	R	94.8	Very high	93.3	Very high	93 Å²	93	40.1 Å²	40.1	35%	0.351	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.9	175.3	-167.1	179.9	-48.6	163.6	10.9	108.8	N6 P7 S8 L9 V339	N6-R41 WeakPolarHBondContact OD1-CD 3.4Å; N6-R41 PolarHBondContact OD1-NE 2.83Å; N6-R41 PolarHBondContact OD1-NH1 3.5Å; P7-R41 WeakPolarHBondContact O-CD 3.48Å; S8-R41 CarbonylContact C-O 3.54Å; S8-R41 WeakPolarHBondContact CA-O 3.39Å; L9-R41 CarbonylContact C-O 3.53Å; L9-R41 HydrophobicContact CB-CB 4.25Å; L9-R41 PolarHBondContact N-O 3.11Å; L9-R41 PolarHBondContact O-N 2.82Å; L9-R41 VanDerWaalsContact O-O 3.13Å; R41-V339 HydrophobicContact CG-CB 4.27Å; R41-V339 HydrophobicContact CG-CG1 3.76Å; R41-V339 HydrophobicContact CG-CG2 3.49Å; R41-V339 VanDerWaalsContact CG-CG2 3.49Å
42	L	95.7	Very high	94.3	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	118.5	178.3	-174.6	63.1	0	0	0	108.3	V10 A39 D46 Y47 M50 P337 L338 V339	V10-L42 HydrophobicContact CG1-CD1 4.48Å; A39-L42 HydrophobicContact CB-CB 4.07Å; A39-L42 HydrophobicContact CB-CD2 4.5Å; L42-D46 HydrophobicContact CD1-CB 3.93Å; L42-Y47 HydrophobicContact CD2-CD2 3.67Å; L42-Y47 HydrophobicContact CD2-CG 3.83Å; L42-M50 HydrophobicContact CD1-SD 3.78Å; L42-M50 HydrophobicContact CD2-SD 4.07Å; L42-P337 HydrophobicContact CB-CB 4.02Å; L42-P337 HydrophobicContact CB-CG 4.15Å; L42-P337 PolarHBondContact N-O 3Å; L42-L338 HydrophobicContact CB-CD2 4.35Å; L42-L338 HydrophobicContact CD2-CD2 4.15Å; L42-L338 HydrophobicContact CG-CD2 4.31Å; L42-L338 CarbonylContact O-C 3.59Å; L42-L338 VanDerWaalsContact O-CA 3.24Å; L42-L338 WeakPolarHBondContact O-CA 3.37Å; L42-V339 PolarHBondContact O-N 3.05Å
43	T	94.7	Very high	94.9	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	150.2	177.3	81.5	0	0	0	0	110.5	N6 S8 S45 D46 Y47 V339 D341	N6-T43 VanDerWaalsContact O-CG2 3.31Å; N6-T43 WeakPolarHBondContact O-CG2 3.4Å; S8-T43 PolarHBondContact OG-N 3.26Å; T43-S45 PolarHBondContact O-N 3.36Å; T43-D46 PolarHBondContact O-N 3.05Å; T43-D46 PolarHBondContact OG1-N 3.15Å; T43-D46 VanDerWaalsContact OG1-N 3.14Å; T43-Y47 PolarHBondContact O-N 3.4Å; T43-V339 CarbonylContact C-O 3.45Å; T43-V339 WeakPolarHBondContact CA-O 3.33Å; T43-V339 HydrophobicContact CG2-CG2 4.12Å; T43-D341 WeakPolarHBondContact CB-OD1 3.29Å; T43-D341 PolarHBondContact OG1-OD1 3.31Å
44	V	93.4	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-31.8	179.1	-67.6	0	0	0	0	112	Q48 L338 V339 L340 D341 F352 L375 P376	V44-Q48 WeakPolarHBondContact O-CB 3.5Å; V44-Q48 PolarHBondContact O-N 3.1Å; V44-L338 HydrophobicContact CG1-CB 4.26Å; V44-V339 WeakPolarHBondContact CG1-O 3.12Å; V44-V339 PolarHBondContact N-O 3.23Å; V44-L340 HydrophobicContact CG2-CD2 4.38Å; V44-D341 WeakPolarHBondContact CG2-OD2 3.46Å; V44-F352 HydrophobicContact CB-CB 4.08Å; V44-F352 HydrophobicContact CG1-CB 3.81Å; V44-F352 HydrophobicContact CG2-CB 3.89Å; V44-F352 HydrophobicContact CG2-CD2 4.31Å; V44-F352 HydrophobicContact CG2-CG 4.43Å; V44-L375 HydrophobicContact CB-CD2 4.11Å; V44-L375 HydrophobicContact CG1-CD2 4.22Å; V44-P376 HydrophobicContact CG2-CG 4.15Å
45	S	92.9	Very high	95.2	Very high	26 Å²	26	42 Å²	42	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-68.9	-43.4	172.6	-64.7	0	0	0	0	112.8	T43 Y47 Q48 Y49 D341	T43-S45 PolarHBondContact O-N 3.36Å; S45-Y47 PolarHBondContact O-N 3.16Å; S45-Q48 WeakPolarHBondContact O-CB 3.2Å; S45-Q48 PolarHBondContact O-N 2.59Å; S45-Y49 WeakPolarHBondContact O-CD2 3.48Å; S45-Y49 PolarHBondContact O-N 3.4Å; S45-D341 WeakPolarHBondContact CB-OD1 3.18Å; S45-D341 VanDerWaalsContact CB-OD2 3.23Å; S45-D341 WeakPolarHBondContact CB-OD2 3.34Å; S45-D341 PolarHBondContact N-OD2 2.97Å; S45-D341 VanDerWaalsContact N-OD2 3.11Å; S45-D341 PolarHBondContact OG-OD1 3.33Å; S45-D341 PolarHBondContact OG-OD2 2.85Å
46	D	95.5	Very high	95.1	Very high	69 Å²	69	39.5 Å²	39.5	37%	0.369	18%	0.178	S	C	.	.	H	α-helix	trans	-63.8	-42.9	176.2	-77.6	-17.7	0	0	0	111.1	S8 L42 T43 Q48 Y49 M50	S8-D46 WeakPolarHBondContact CB-OD2 3.4Å; S8-D46 PolarHBondContact OG-OD2 3.47Å; L42-D46 HydrophobicContact CD1-CB 3.93Å; T43-D46 PolarHBondContact O-N 3.05Å; T43-D46 PolarHBondContact OG1-N 3.15Å; T43-D46 VanDerWaalsContact OG1-N 3.14Å; D46-Q48 VanDerWaalsContact C-N 3.3Å; D46-Q48 PolarHBondContact O-N 2.9Å; D46-Y49 PolarHBondContact O-N 3.29Å; D46-Y49 VanDerWaalsContact O-N 3.13Å; D46-M50 WeakPolarHBondContact O-CG 3.49Å; D46-M50 PolarHBondContact O-N 3.44Å
47	Y	96.5	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-35.7	175.6	-169.9	-134.6	0	0	0	112.3	L42 T43 S45 Y49 M50 I51 R57 L338 L375	L42-Y47 HydrophobicContact CD2-CD2 3.67Å; L42-Y47 HydrophobicContact CD2-CG 3.83Å; T43-Y47 PolarHBondContact O-N 3.4Å; S45-Y47 PolarHBondContact O-N 3.16Å; Y47-Y49 VanDerWaalsContact C-N 3.33Å; Y47-Y49 PolarHBondContact O-N 3.21Å; Y47-M50 HydrophobicContact CD2-CB 4.15Å; Y47-M50 HydrophobicContact CD2-SD 4.43Å; Y47-M50 WeakPolarHBondContact O-CB 3.24Å; Y47-M50 PolarHBondContact O-N 2.84Å; Y47-M50 VanDerWaalsContact O-N 3.14Å; Y47-I51 PolarHBondContact O-N 3.2Å; Y47-R57 HydrophobicContact CE1-CG 4.24Å; Y47-R57 HydrophobicContact CE2-CB 4.24Å; Y47-R57 HydrophobicContact CE2-CG 4.31Å; Y47-R57 WeakPolarHBondContact OH-CG 3.5Å; Y47-L338 HydrophobicContact CD1-CD1 4.13Å; Y47-L338 HydrophobicContact CD1-CD2 3.7Å; Y47-L338 HydrophobicContact CG-CD2 3.88Å; Y47-L375 HydrophobicContact CD1-CD1 3.61Å; Y47-L375 HydrophobicContact CD1-CD2 3.79Å; Y47-L375 HydrophobicContact CD1-CG 4.34Å; Y47-L375 HydrophobicContact CE1-CD1 3.91Å; Y47-L375 HydrophobicContact CG-CD1 4.47Å
48	Q	94.7	Very high	94.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-44.1	171.7	-178	68.1	67.5	0	0	111.4	V44 S45 D46 M50 I51 D52 L375 R377 C378	V44-Q48 WeakPolarHBondContact O-CB 3.5Å; V44-Q48 PolarHBondContact O-N 3.1Å; S45-Q48 WeakPolarHBondContact O-CB 3.2Å; S45-Q48 PolarHBondContact O-N 2.59Å; D46-Q48 VanDerWaalsContact C-N 3.3Å; D46-Q48 PolarHBondContact O-N 2.9Å; Q48-M50 VanDerWaalsContact C-N 3.29Å; Q48-M50 PolarHBondContact O-N 3.13Å; Q48-I51 WeakPolarHBondContact O-CG2 3.38Å; Q48-D52 PolarHBondContact NE2-OD1 2.89Å; Q48-D52 WeakPolarHBondContact O-CB 3.18Å; Q48-D52 PolarHBondContact O-N 2.72Å; Q48-L375 VanDerWaalsContact OE1-CB 3.27Å; Q48-R377 HydrophobicContact CG-CB 4.33Å; Q48-C378 PolarHBondContact NE2-SG 3.38Å; Q48-C378 PolarHBondContact OE1-SG 2.91Å
49	Y	95.2	Very high	94.7	Very high	137 Å²	137	38.5 Å²	38.5	54%	0.537	18%	0.177	S	C	.	.	H	α-helix	trans	-66.3	-31.4	176	-74.4	-61	0	0	0	113.4	S45 D46 Y47 R53	S45-Y49 WeakPolarHBondContact O-CD2 3.48Å; S45-Y49 PolarHBondContact O-N 3.4Å; D46-Y49 PolarHBondContact O-N 3.29Å; D46-Y49 VanDerWaalsContact O-N 3.13Å; Y47-Y49 VanDerWaalsContact C-N 3.33Å; Y47-Y49 PolarHBondContact O-N 3.21Å; Y49-R53 PolarHBondContact O-NH1 2.94Å
50	M	96.1	Very high	94.6	Very high	27 Å²	27	40.2 Å²	40.2	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-52.9	175.7	-70	175.1	67.8	0	0	111.5	M37 L42 D46 Y47 Q48 D52 R53 G54 W55 C62	M37-M50 HydrophobicContact CE-CE 4.36Å; M37-M50 HydrophobicContact SD-CE 3.89Å; L42-M50 HydrophobicContact CD1-SD 3.78Å; L42-M50 HydrophobicContact CD2-SD 4.07Å; D46-M50 WeakPolarHBondContact O-CG 3.49Å; D46-M50 PolarHBondContact O-N 3.44Å; Y47-M50 HydrophobicContact CD2-CB 4.15Å; Y47-M50 HydrophobicContact CD2-SD 4.43Å; Y47-M50 WeakPolarHBondContact O-CB 3.24Å; Y47-M50 PolarHBondContact O-N 2.84Å; Y47-M50 VanDerWaalsContact O-N 3.14Å; Q48-M50 VanDerWaalsContact C-N 3.29Å; Q48-M50 PolarHBondContact O-N 3.13Å; M50-D52 PolarHBondContact O-N 3.03Å; M50-R53 CarbonylContact O-C 3.51Å; M50-R53 WeakPolarHBondContact O-CA 3.34Å; M50-R53 PolarHBondContact O-N 3.43Å; M50-G54 PolarHBondContact O-N 3.48Å; M50-W55 HydrophobicContact CB-CB 3.78Å; M50-W55 HydrophobicContact CB-CG 3.9Å; M50-W55 HydrophobicContact CE-CB 4.28Å; M50-W55 HydrophobicContact CE-CD2 3.88Å; M50-W55 HydrophobicContact CE-CE3 3.82Å; M50-W55 HydrophobicContact CE-CG 4.11Å; M50-W55 HydrophobicContact CE-CZ3 4.46Å; M50-W55 HydrophobicContact CG-CG 4.46Å; M50-W55 WeakPolarHBondContact O-CB 3.21Å; M50-W55 PolarHBondContact O-N 3.18Å; M50-W55 VanDerWaalsContact O-N 3.13Å; M50-C62 HydrophobicContact CE-CB 3.81Å
51	I	94.8	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-32.6	-177.4	-161.6	173.2	0	0	0	111.8	Y47 Q48 R53 G54 R78 L375 F413 I415	Y47-I51 PolarHBondContact O-N 3.2Å; Q48-I51 WeakPolarHBondContact O-CG2 3.38Å; I51-R53 PolarHBondContact O-N 3.05Å; I51-G54 PolarHBondContact O-N 2.92Å; I51-R78 PolarHBondContact O-NH2 3.15Å; I51-L375 HydrophobicContact CG2-CD1 4.1Å; I51-F413 HydrophobicContact CD1-CB 4.34Å; I51-F413 HydrophobicContact CD1-CD1 3.87Å; I51-F413 HydrophobicContact CD1-CE1 4.42Å; I51-F413 HydrophobicContact CD1-CG 4.29Å; I51-F413 HydrophobicContact CG1-CD1 3.9Å; I51-F413 HydrophobicContact CG1-CE1 4.08Å; I51-F413 HydrophobicContact CG2-CE1 4.4Å; I51-I415 HydrophobicContact CD1-CD1 4.22Å
52	D	93.9	Very high	94.8	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.214	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.6	171.3	-81	19.7	0	0	0	113.9	Q48 M50 R78 R377	Q48-D52 PolarHBondContact NE2-OD1 2.89Å; Q48-D52 WeakPolarHBondContact O-CB 3.18Å; Q48-D52 PolarHBondContact O-N 2.72Å; M50-D52 PolarHBondContact O-N 3.03Å; D52-R78 VanDerWaalsContact CA-NH2 3.27Å; D52-R78 PolarHBondContact O-NH2 3.29Å; D52-R377 IonicContact OD1-NH1 3.73Å; D52-R377 IonicContact OD1-NH2 3.96Å; D52-R377 IonicContact OD2-CZ 3.12Å; D52-R377 IonicContact OD2-NH1 2.77Å; D52-R377 PolarHBondContact OD2-NH1 3.29Å; D52-R377 IonicContact OD2-NH2 2.61Å; D52-R377 PolarHBondContact OD2-NH2 3.08Å
53	R	93.6	Very high	94.8	Very high	154 Å²	154	33.5 Å²	33.5	58%	0.581	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	13	177.4	-70.4	171.7	175.2	72	1.4	113.2	Y49 M50 I51 K64	Y49-R53 PolarHBondContact O-NH1 2.94Å; M50-R53 CarbonylContact O-C 3.51Å; M50-R53 WeakPolarHBondContact O-CA 3.34Å; M50-R53 PolarHBondContact O-N 3.43Å; I51-R53 PolarHBondContact O-N 3.05Å; R53-K64 WeakPolarHBondContact O-CE 3.43Å
54	G	92.8	Very high	94.7	Very high	15 Å²	15	37.3 Å²	37.3	16%	0.155	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	12	175.1	0	0	0	0	0	114.6	M50 I51	M50-G54 PolarHBondContact O-N 3.48Å; I51-G54 PolarHBondContact O-N 2.92Å
55	W	95.1	Very high	94.7	Very high	38 Å²	38	37.8 Å²	37.8	14%	0.144	18%	0.176	C	C	.	.			trans	-71.3	152.5	169.2	-67.7	80.5	0	0	0	111.3	W35 M37 M50 C62 Y63 K64	W35-W55 HydrophobicContact CD2-CH2 4.04Å; W35-W55 AromaticContact CE3-CH2 3.23Å; W35-W55 HydrophobicContact CE3-CH2 3.23Å; W35-W55 HydrophobicContact CE3-CZ2 4.34Å; W35-W55 AromaticContact CE3-CZ3 3.75Å; W35-W55 HydrophobicContact CE3-CZ3 3.75Å; W35-W55 HydrophobicContact CH2-CH2 4.42Å; W35-W55 AromaticContact CZ3-CH2 3.46Å; W35-W55 HydrophobicContact CZ3-CH2 3.46Å; W35-W55 VanDerWaalsContact CZ3-CH2 3.46Å; W35-W55 HydrophobicContact CZ3-CZ3 4.05Å; M37-W55 HydrophobicContact CE-CH2 3.59Å; M37-W55 HydrophobicContact CE-CZ2 4.24Å; M37-W55 HydrophobicContact CE-CZ3 3.83Å; M37-W55 HydrophobicContact CG-CZ3 4.3Å; M50-W55 HydrophobicContact CB-CB 3.78Å; M50-W55 HydrophobicContact CB-CG 3.9Å; M50-W55 HydrophobicContact CE-CB 4.28Å; M50-W55 HydrophobicContact CE-CD2 3.88Å; M50-W55 HydrophobicContact CE-CE3 3.82Å; M50-W55 HydrophobicContact CE-CG 4.11Å; M50-W55 HydrophobicContact CE-CZ3 4.46Å; M50-W55 HydrophobicContact CG-CG 4.46Å; M50-W55 WeakPolarHBondContact O-CB 3.21Å; M50-W55 PolarHBondContact O-N 3.18Å; M50-W55 VanDerWaalsContact O-N 3.13Å; W55-C62 HydrophobicContact CE3-CB 4.48Å; W55-Y63 WeakPolarHBondContact CA-O 3.47Å; W55-K64 HydrophobicContact CD2-CB 3.75Å; W55-K64 HydrophobicContact CE3-CB 3.86Å; W55-K64 HydrophobicContact CG-CB 4.2Å; W55-K64 HydrophobicContact CH2-CB 4.4Å; W55-K64 HydrophobicContact CZ2-CB 4.31Å; W55-K64 HydrophobicContact CZ3-CB 4.19Å
56	R	93.2	Very high	94.7	Very high	27 Å²	27	38.9 Å²	38.9	10%	0.102	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	167.4	177.9	-58.1	-178.5	-172.4	176.6	3.3	108.9	C62 Y63 S74 Y75 T76 I415	R56-C62 CarbonylContact O-C 3.55Å; R56-C62 VanDerWaalsContact O-CA 3.28Å; R56-C62 WeakPolarHBondContact O-CA 3.35Å; R56-Y63 HydrophobicContact CB-CD1 4.4Å; R56-Y63 HydrophobicContact CB-CD2 4.36Å; R56-Y63 HydrophobicContact CB-CE1 3.9Å; R56-Y63 HydrophobicContact CB-CE2 3.87Å; R56-Y63 HydrophobicContact CG-CE2 4.45Å; R56-Y63 PolarHBondContact N-O 2.91Å; R56-Y63 PolarHBondContact O-N 3.13Å; R56-S74 PolarHBondContact NH2-O 3.44Å; R56-Y75 PolarHBondContact NH2-O 3.49Å; R56-T76 PolarHBondContact NE-OG1 3.37Å; R56-T76 VanDerWaalsContact NH2-CA 3.33Å; R56-T76 PolarHBondContact NH2-OG1 3.25Å; R56-I415 HydrophobicContact CG-CD1 4.45Å
57	R	94.8	Very high	94.4	Very high	10 Å²	10	37.4 Å²	37.4	4%	0.038	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155	173.8	79.7	-179.2	-169.5	79.1	15	112.8	Y47 G59 Y61 S354 D373	Y47-R57 HydrophobicContact CE1-CG 4.24Å; Y47-R57 HydrophobicContact CE2-CB 4.24Å; Y47-R57 HydrophobicContact CE2-CG 4.31Å; Y47-R57 WeakPolarHBondContact OH-CG 3.5Å; R57-G59 PolarHBondContact NH1-O 3.04Å; R57-Y61 CarbonylContact C-O 3.54Å; R57-Y61 WeakPolarHBondContact CA-O 3.49Å; R57-Y61 WeakPolarHBondContact CB-O 3.38Å; R57-S354 PolarHBondContact NH2-OG 3.45Å; R57-D373 IonicContact CZ-OD1 3.47Å; R57-D373 IonicContact CZ-OD2 3.21Å; R57-D373 IonicContact NE-OD1 3.66Å; R57-D373 IonicContact NE-OD2 2.71Å; R57-D373 PolarHBondContact NE-OD2 2.88Å; R57-D373 IonicContact NH2-OD1 2.6Å; R57-D373 PolarHBondContact NH2-OD1 3.07Å; R57-D373 IonicContact NH2-OD2 2.89Å; R57-D373 PolarHBondContact NH2-OD2 3.24Å
58	S	92.8	Very high	94.1	Very high	37 Å²	37	45.3 Å²	45.3	26%	0.259	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	108.5	168.2	-54.7	0	0	0	0	107.4	T60 Y61	S58-T60 PolarHBondContact O-N 3.42Å; S58-Y61 PolarHBondContact N-O 2.66Å; S58-Y61 PolarHBondContact O-N 3.49Å; S58-Y61 VanDerWaalsContact O-N 3.08Å
59	G	94.7	Very high	93.7	Very high	1 Å²	1	50 Å²	50	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-125.1	-166.6	0	0	0	0	0	112	R57 R331 F332 K335 P337	R57-G59 PolarHBondContact NH1-O 3.04Å; G59-R331 WeakPolarHBondContact CA-O 3.21Å; G59-F332 PolarHBondContact N-O 3.17Å; G59-K335 CarbonylContact C-O 3.54Å; G59-K335 WeakPolarHBondContact CA-O 3.15Å; G59-P337 WeakPolarHBondContact O-CD 3.47Å
60	T	96.4	Very high	93.3	Very high	36 Å²	36	43.8 Å²	43.8	22%	0.221	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.5	178.1	53.2	0	0	0	0	114.1	M38 A39 S58 K335 P337	M38-T60 VanDerWaalsContact SD-CB 3.58Å; M38-T60 PolarHBondContact SD-OG1 3.04Å; A39-T60 PolarHBondContact N-O 2.95Å; A39-T60 WeakPolarHBondContact O-CB 3.26Å; S58-T60 PolarHBondContact O-N 3.42Å; T60-K335 HydrophobicContact CG2-CB 4.49Å; T60-P337 HydrophobicContact CG2-CB 4.37Å
61	Y	96.6	Very high	92.8	Very high	50 Å²	50	44.5 Å²	44.5	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.6	-180	177.9	-114.5	0	0	0	111.2	Y13 H16 G36 M37 R57 S58 Y63	Y13-Y61 HydrophobicContact CD2-CE2 4.07Å; Y13-Y61 HydrophobicContact CE2-CD2 4.39Å; Y13-Y61 HydrophobicContact CE2-CE2 4.38Å; H16-Y61 PolarHBondContact CE1-OH 3.11Å; H16-Y61 PolarHBondContact NE2-OH 3.31Å; G36-Y61 WeakPolarHBondContact CA-OH 3.23Å; M37-Y61 VanDerWaalsContact O-CD2 3.29Å; M37-Y61 WeakPolarHBondContact O-CD2 3.48Å; R57-Y61 CarbonylContact C-O 3.54Å; R57-Y61 WeakPolarHBondContact CA-O 3.49Å; R57-Y61 WeakPolarHBondContact CB-O 3.38Å; S58-Y61 PolarHBondContact N-O 2.66Å; S58-Y61 PolarHBondContact O-N 3.49Å; S58-Y61 VanDerWaalsContact O-N 3.08Å; Y61-Y63 AromaticContact CD1-CD1 3.82Å; Y61-Y63 HydrophobicContact CD1-CD1 3.82Å; Y61-Y63 AromaticContact CE1-CD1 3.68Å; Y61-Y63 HydrophobicContact CE1-CD1 3.68Å; Y61-Y63 AromaticContact CE1-CG 3.94Å; Y61-Y63 HydrophobicContact CE1-CG 3.94Å
62	C	97.1	Very high	92.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.1	175.8	-60.7	0	0	0	0	110.6	G36 M37 M50 W55 R56	G36-C62 CarbonylContact C-O 3.54Å; G36-C62 WeakPolarHBondContact CA-O 3.27Å; M37-C62 HydrophobicContact CG-CB 3.83Å; M37-C62 PolarHBondContact N-O 3.04Å; M37-C62 PolarHBondContact O-N 3.27Å; M37-C62 HydrophobicContact SD-CB 4.47Å; M50-C62 HydrophobicContact CE-CB 3.81Å; W55-C62 HydrophobicContact CE3-CB 4.48Å; R56-C62 CarbonylContact O-C 3.55Å; R56-C62 VanDerWaalsContact O-CA 3.28Å; R56-C62 WeakPolarHBondContact O-CA 3.35Å
63	Y	95.4	Very high	92.1	Very high	29 Å²	29	46.8 Å²	46.8	11%	0.114	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.9	-176.2	63.4	-81.8	0	0	0	113	W35 W55 R56 Y61	W35-Y63 CarbonylContact O-C 3.57Å; W35-Y63 VanDerWaalsContact O-CA 3.27Å; W35-Y63 WeakPolarHBondContact O-CA 3.45Å; W55-Y63 WeakPolarHBondContact CA-O 3.47Å; R56-Y63 HydrophobicContact CB-CD1 4.4Å; R56-Y63 HydrophobicContact CB-CD2 4.36Å; R56-Y63 HydrophobicContact CB-CE1 3.9Å; R56-Y63 HydrophobicContact CB-CE2 3.87Å; R56-Y63 HydrophobicContact CG-CE2 4.45Å; R56-Y63 PolarHBondContact N-O 2.91Å; R56-Y63 PolarHBondContact O-N 3.13Å; Y61-Y63 AromaticContact CD1-CD1 3.82Å; Y61-Y63 HydrophobicContact CD1-CD1 3.82Å; Y61-Y63 AromaticContact CE1-CD1 3.68Å; Y61-Y63 HydrophobicContact CE1-CD1 3.68Å; Y61-Y63 AromaticContact CE1-CG 3.94Å; Y61-Y63 HydrophobicContact CE1-CG 3.94Å
64	K	94.3	Very high	91.7	Very high	83 Å²	83	40.1 Å²	40.1	36%	0.361	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.9	171.7	-172.2	-175.9	175.6	-159.3	0	109.3	N34 W35 R53 W55 L66	N34-K64 WeakPolarHBondContact CA-O 3.43Å; W35-K64 PolarHBondContact N-O 3.32Å; W35-K64 PolarHBondContact O-N 3.12Å; R53-K64 WeakPolarHBondContact O-CE 3.43Å; W55-K64 HydrophobicContact CD2-CB 3.75Å; W55-K64 HydrophobicContact CE3-CB 3.86Å; W55-K64 HydrophobicContact CG-CB 4.2Å; W55-K64 HydrophobicContact CH2-CB 4.4Å; W55-K64 HydrophobicContact CZ2-CB 4.31Å; W55-K64 HydrophobicContact CZ3-CB 4.19Å; K64-L66 PolarHBondContact O-N 3.18Å
65	P	92.1	Very high	91.4	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.071	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	136.1	174	-24.9	34.9	0	0	0	111.9	N34 N67	N34-P65 WeakPolarHBondContact OD1-CA 3.28Å; P65-N67 PolarHBondContact O-N 2.93Å
66	L	92.2	Very high	90.8	Very high	49 Å²	49	47.4 Å²	47.4	26%	0.257	24%	0.244	S	C	.	.			trans	-91.3	87.3	171.6	-64.6	179.1	0	0	0	108.2	P15 T33 W35 K64 D68 I69 T70	P15-L66 HydrophobicContact CB-CD1 3.73Å; T33-L66 HydrophobicContact CG2-CD1 4.04Å; T33-L66 PolarHBondContact O-N 3.17Å; W35-L66 HydrophobicContact CB-CD1 4.48Å; W35-L66 HydrophobicContact CB-CD2 4.17Å; W35-L66 HydrophobicContact CB-CG 4.37Å; K64-L66 PolarHBondContact O-N 3.18Å; L66-D68 PolarHBondContact O-N 2.82Å; L66-I69 HydrophobicContact CB-CD1 3.66Å; L66-I69 HydrophobicContact CB-CG1 3.57Å; L66-I69 HydrophobicContact CD1-CD1 3.72Å; L66-I69 HydrophobicContact CG-CD1 4.34Å; L66-I69 VanDerWaalsContact O-CG1 3.29Å; L66-I69 WeakPolarHBondContact O-CG1 3.43Å; L66-I69 PolarHBondContact O-N 2.71Å; L66-T70 WeakPolarHBondContact O-CB 3.48Å; L66-T70 PolarHBondContact O-N 2.8Å; L66-T70 PolarHBondContact O-OG1 3.47Å
67	N	90.6	Very high	90.5	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.203	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.7	-172.9	-73.9	-13.4	0	0	0	113.8	P65 I69 P73 S74	P65-N67 PolarHBondContact O-N 2.93Å; N67-I69 PolarHBondContact O-N 3.39Å; N67-P73 HydrophobicContact CB-CB 3.97Å; N67-P73 WeakPolarHBondContact OD1-CA 3.29Å; N67-S74 PolarHBondContact OD1-N 3.37Å
68	D	89.6	Confident	90.1	Very high	166 Å²	166	56.5 Å²	56.5	89%	0.888	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-18	179.4	-55.6	-31.7	0	0	0	112.8	L66	L66-D68 PolarHBondContact O-N 2.82Å
69	I	86.7	Confident	89.9	Confident	102 Å²	102	55.9 Å²	55.9	52%	0.523	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-17.9	-177.7	59.7	175.3	0	0	0	113	T33 L66 N67	T33-I69 HydrophobicContact CG2-CD1 3.57Å; L66-I69 HydrophobicContact CB-CD1 3.66Å; L66-I69 HydrophobicContact CB-CG1 3.57Å; L66-I69 HydrophobicContact CD1-CD1 3.72Å; L66-I69 HydrophobicContact CG-CD1 4.34Å; L66-I69 VanDerWaalsContact O-CG1 3.29Å; L66-I69 WeakPolarHBondContact O-CG1 3.43Å; L66-I69 PolarHBondContact O-N 2.71Å; N67-I69 PolarHBondContact O-N 3.39Å
70	T	86.8	Confident	89.7	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.037	30%	0.298	C	S	.	.	S	Bend	trans	-85	126.5	177.5	-60.6	0	0	0	0	109.7	K32 T33 L66 C72	K32-T70 HydrophobicContact CB-CG2 4.46Å; K32-T70 HydrophobicContact CG-CG2 4.39Å; T33-T70 PolarHBondContact N-OG1 2.95Å; T33-T70 VanDerWaalsContact N-OG1 3.1Å; T33-T70 PolarHBondContact O-OG1 2.8Å; L66-T70 WeakPolarHBondContact O-CB 3.48Å; L66-T70 PolarHBondContact O-N 2.8Å; L66-T70 PolarHBondContact O-OG1 3.47Å; T70-C72 PolarHBondContact O-N 2.98Å; T70-C72 VanDerWaalsContact O-N 3.13Å
71	C	85.2	Confident	89.1	Confident	43 Å²	43	58.3 Å²	58.3	29%	0.291	29%	0.294	S	S	.	.	S	Bend	trans	-54.5	-31.8	-178.3	62.3	0	0	0	0	115.4	C21 C24 D30	C21-C71 WeakPolarHBondContact CB-SG 3.4Å; C21-C71 PolarHBondContact SG-SG 3.12Å; C24-C71 PolarHBondContact SG-SG 3.26Å; D30-C71 HydrophobicContact CB-CB 3.6Å; D30-C71 VanDerWaalsContact CG-CB 3.44Å; D30-C71 WeakPolarHBondContact OD2-CB 3.34Å
72	C	87.2	Confident	88.4	Confident	29 Å²	29	61.3 Å²	61.3	20%	0.196	31%	0.313	C	S	.	.	S	Bend	trans	-120.5	93.3	175.9	-60.7	0	0	0	0	109.5	C21 Y23 T70 S74	C21-C72 VanDerWaalsContact SG-CB 3.6Å; C21-C72 VanDerWaalsContact SG-SG 3.6Å; Y23-C72 HydrophobicContact CD2-CB 3.74Å; Y23-C72 HydrophobicContact CG-CB 4.08Å; T70-C72 PolarHBondContact O-N 2.98Å; T70-C72 VanDerWaalsContact O-N 3.13Å; C72-S74 PolarHBondContact O-N 3.44Å
73	P	87.7	Confident	87.9	Confident	59 Å²	59	67.4 Å²	67.4	38%	0.383	34%	0.341	S	S	.	.			trans	-51.8	129.8	178.2	-30.7	37.3	0	0	0	112.4	N67 Y75	N67-P73 HydrophobicContact CB-CB 3.97Å; N67-P73 WeakPolarHBondContact OD1-CA 3.29Å; P73-Y75 HydrophobicContact CB-CD2 4.36Å; P73-Y75 HydrophobicContact CB-CE2 3.73Å
74	S	84.7	Confident	87.5	Confident	13 Å²	13	68.5 Å²	68.5	9%	0.091	35%	0.347	C	S	.	.			trans	-107.2	84.9	-176.6	-68.3	0	0	0	0	110.4	R56 N67 C72	R56-S74 PolarHBondContact NH2-O 3.44Å; N67-S74 PolarHBondContact OD1-N 3.37Å; C72-S74 PolarHBondContact O-N 3.44Å
75	Y	85.5	Confident	87.2	Confident	176 Å²	176	71.3 Å²	71.3	69%	0.69	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-73.3	141.1	174.3	-61.7	-77.5	0	0	0	111.1	R56 P73	R56-Y75 PolarHBondContact NH2-O 3.49Å; P73-Y75 HydrophobicContact CB-CD2 4.36Å; P73-Y75 HydrophobicContact CB-CE2 3.73Å
76	T	84.4	Confident	87.2	Confident	31 Å²	31	72.1 Å²	72.1	19%	0.19	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-77.6	124.5	176.4	-61.3	0	0	0	0	109.4	R56	R56-T76 PolarHBondContact NE-OG1 3.37Å; R56-T76 VanDerWaalsContact NH2-CA 3.33Å; R56-T76 PolarHBondContact NH2-OG1 3.25Å
77	I	85	Confident	87.2	Confident	109 Å²	109	76.6 Å²	76.6	56%	0.559	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-75.6	135.9	176.2	-60	172	0	0	0	108.4
78	R	88.1	Confident	87.3	Confident	118 Å²	118	83.5 Å²	83.5	45%	0.445	41%	0.41	S	S	.	.			trans	-126.2	143.5	174.3	-63.6	-171.2	177.9	147.1	1.8	109.7	I51 D52 F413	I51-R78 PolarHBondContact O-NH2 3.15Å; D52-R78 VanDerWaalsContact CA-NH2 3.27Å; D52-R78 PolarHBondContact O-NH2 3.29Å; R78-F413 HydrophobicContact CG-CD1 3.89Å; R78-F413 HydrophobicContact CG-CE1 3.79Å; R78-F413 HydrophobicContact CG-CG 4.49Å; R78-F413 HydrophobicContact CG-CZ 4.24Å
79	C	88.4	Confident	87.4	Confident	24 Å²	24	77.6 Å²	77.6	16%	0.162	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-118.7	117	173.4	-166.4	0	0	0	0	108	A81 F84 E404 V412	C79-A81 PolarHBondContact O-N 2.92Å; C79-A81 VanDerWaalsContact O-N 3.14Å; C79-F84 VanDerWaalsContact SG-CD2 3.52Å; C79-E404 PolarHBondContact SG-OE1 2.54Å; C79-V412 CarbonylContact C-O 3.4Å; C79-V412 WeakPolarHBondContact CA-O 3.16Å; C79-V412 WeakPolarHBondContact CB-O 3.46Å; C79-V412 PolarHBondContact N-O 2.75Å; C79-V412 PolarHBondContact O-N 3.23Å
80	D	89.5	Confident	87.8	Confident	71 Å²	71	74.3 Å²	74.3	38%	0.38	37%	0.365	S	S	.	.			trans	-73.3	103.9	165.8	-178.9	-14.2	0	0	0	107.6	L82 Q83 F84	D80-L82 VanDerWaalsContact C-N 3.27Å; D80-L82 PolarHBondContact O-N 2.98Å; D80-L82 PolarHBondContact OD1-N 3.4Å; D80-Q83 HydrophobicContact CB-CB 4.24Å; D80-Q83 CarbonylContact O-C 3.5Å; D80-Q83 PolarHBondContact O-N 2.92Å; D80-Q83 PolarHBondContact OD1-N 3.31Å; D80-Q83 WeakPolarHBondContact OD2-CG 3.31Å; D80-F84 PolarHBondContact O-N 3.36Å
81	A	83.5	Confident	88.1	Confident	17 Å²	17	77.5 Å²	77.5	14%	0.14	38%	0.378	C	S	.	.	S	Bend	trans	-60.6	-38.3	-177.6	0	0	0	0	0	112	C79 Q83 F84 E404 F410 V412	C79-A81 PolarHBondContact O-N 2.92Å; C79-A81 VanDerWaalsContact O-N 3.14Å; A81-Q83 VanDerWaalsContact C-N 3.29Å; A81-Q83 PolarHBondContact O-N 3.47Å; A81-F84 WeakPolarHBondContact O-CB 3.5Å; A81-F84 PolarHBondContact O-N 3.32Å; A81-E404 WeakPolarHBondContact CA-OE2 3.36Å; A81-E404 WeakPolarHBondContact CB-OE2 3Å; A81-F410 VanDerWaalsContact CB-O 3.24Å; A81-F410 WeakPolarHBondContact CB-O 3.4Å; A81-V412 HydrophobicContact CB-CG2 4.01Å
82	L	83.5	Confident	88.5	Confident	114 Å²	114	80.9 Å²	80.9	60%	0.597	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.7	-177.1	-59	179.2	0	0	0	112	D80	D80-L82 VanDerWaalsContact C-N 3.27Å; D80-L82 PolarHBondContact O-N 2.98Å; D80-L82 PolarHBondContact OD1-N 3.4Å
83	Q	86.6	Confident	88.9	Confident	127 Å²	127	79.8 Å²	79.8	59%	0.593	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	11.6	175.3	-59.1	-57.8	-41.1	0	0	113.1	D80 A81 H85	D80-Q83 HydrophobicContact CB-CB 4.24Å; D80-Q83 CarbonylContact O-C 3.5Å; D80-Q83 PolarHBondContact O-N 2.92Å; D80-Q83 PolarHBondContact OD1-N 3.31Å; D80-Q83 WeakPolarHBondContact OD2-CG 3.31Å; A81-Q83 VanDerWaalsContact C-N 3.29Å; A81-Q83 PolarHBondContact O-N 3.47Å; Q83-H85 PolarHBondContact O-N 2.91Å
84	F	86.6	Confident	89.3	Confident	52 Å²	52	77.1 Å²	77.1	23%	0.228	36%	0.359	C	S	.	.			trans	-69	133.8	-177.8	-179.3	-108.7	0	0	0	111.7	C79 D80 A81 L86 H90 I266 L401 E404	C79-F84 VanDerWaalsContact SG-CD2 3.52Å; D80-F84 PolarHBondContact O-N 3.36Å; A81-F84 WeakPolarHBondContact O-CB 3.5Å; A81-F84 PolarHBondContact O-N 3.32Å; F84-L86 HydrophobicContact CE1-CD2 3.83Å; F84-H90 AromaticContact CE2-CE1 3.78Å; F84-H90 AromaticContact CZ-CE1 3.5Å; F84-H90 VanDerWaalsContact CZ-CE1 3.5Å; F84-H90 WeakPolarHBondContact CZ-CE1 3.38Å; F84-H90 AromaticContact CZ-ND1 3.34Å; F84-H90 VanDerWaalsContact CZ-ND1 3.34Å; F84-H90 WeakPolarHBondContact CZ-ND1 3.38Å; F84-I266 HydrophobicContact CE1-CD1 4.33Å; F84-L401 HydrophobicContact CE1-CD2 3.7Å; F84-L401 HydrophobicContact CZ-CD2 3.68Å; F84-E404 HydrophobicContact CD1-CG 4.35Å
85	H	88	Confident	89.7	Confident	143 Å²	143	82.3 Å²	82.3	66%	0.662	38%	0.38	S	S	*	.			trans	-123.3	128.2	178.9	-65	-35.4	0	0	0	112.1	Q83 K87	Q83-H85 PolarHBondContact O-N 2.91Å; H85-K87 PolarHBondContact O-N 3.18Å; H85-K87 VanDerWaalsContact O-N 3.14Å
86	L	91.7	Very high	90.2	Very high	28 Å²	28	75.2 Å²	75.2	15%	0.147	35%	0.354	C	S	.	.			trans	-66.5	112.7	-180	-71.8	177.7	0	0	0	112.8	F84 H90 K91 L94 I266 F269 L401	F84-L86 HydrophobicContact CE1-CD2 3.83Å; L86-H90 HydrophobicContact CD2-CB 3.69Å; L86-K91 HydrophobicContact CB-CG 4.12Å; L86-K91 HydrophobicContact CD1-CG 4.42Å; L86-K91 WeakPolarHBondContact O-CE 3.42Å; L86-L94 HydrophobicContact CD1-CD1 4.24Å; L86-L94 HydrophobicContact CD2-CD1 3.99Å; L86-I266 HydrophobicContact CD1-CB 4.15Å; L86-I266 HydrophobicContact CD2-CB 4.24Å; L86-I266 HydrophobicContact CD2-CD1 4.31Å; L86-I266 HydrophobicContact CD2-CG1 4.25Å; L86-I266 HydrophobicContact CG-CB 4.32Å; L86-F269 HydrophobicContact CD1-CD2 3.78Å; L86-F269 HydrophobicContact CD1-CE2 3.77Å; L86-L401 HydrophobicContact CD2-CD2 4.01Å
87	K	92.1	Very high	90.7	Very high	142 Å²	142	73.8 Å²	73.8	62%	0.617	35%	0.345	S	S	*	.			trans	-74.3	164.7	168.7	-63.3	-179.2	-178.3	174.8	0	111.5	H85 S89 H90 K91	H85-K87 PolarHBondContact O-N 3.18Å; H85-K87 VanDerWaalsContact O-N 3.14Å; K87-S89 PolarHBondContact O-N 2.99Å; K87-H90 PolarHBondContact N-ND1 3.43Å; K87-H90 PolarHBondContact O-N 3.32Å; K87-H90 VanDerWaalsContact O-N 3.11Å; K87-K91 PolarHBondContact O-N 3.39Å; K87-K91 VanDerWaalsContact O-N 3.08Å
88	K	92.2	Very high	91.3	Very high	184 Å²	184	71.7 Å²	71.7	80%	0.8	33%	0.331	S	S	*	.	H	α-helix	trans	-57.6	-35.7	176.7	-172.2	178.1	-178.3	178.7	0	112.5	R92	K88-R92 PolarHBondContact O-N 2.91Å; K88-R92 VanDerWaalsContact O-N 3.12Å
89	S	93	Very high	91.7	Very high	42 Å²	42	67.7 Å²	67.7	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-45.8	174.3	46.6	0	0	0	0	112	K87 K91 R92 V93	K87-S89 PolarHBondContact O-N 2.99Å; S89-K91 PolarHBondContact O-N 3.27Å; S89-R92 WeakPolarHBondContact O-CB 3.48Å; S89-R92 PolarHBondContact O-N 3.13Å; S89-R92 VanDerWaalsContact O-N 3.15Å; S89-V93 PolarHBondContact O-N 3.12Å; S89-V93 VanDerWaalsContact O-N 3.11Å
90	H	93.7	Very high	92.1	Very high	33 Å²	33	67.2 Å²	67.2	15%	0.153	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-47.2	179	-50.4	161.1	0	0	0	110.9	F84 L86 K87 R92 V93 L94 L401	F84-H90 AromaticContact CE2-CE1 3.78Å; F84-H90 AromaticContact CZ-CE1 3.5Å; F84-H90 VanDerWaalsContact CZ-CE1 3.5Å; F84-H90 WeakPolarHBondContact CZ-CE1 3.38Å; F84-H90 AromaticContact CZ-ND1 3.34Å; F84-H90 VanDerWaalsContact CZ-ND1 3.34Å; F84-H90 WeakPolarHBondContact CZ-ND1 3.38Å; L86-H90 HydrophobicContact CD2-CB 3.69Å; K87-H90 PolarHBondContact N-ND1 3.43Å; K87-H90 PolarHBondContact O-N 3.32Å; K87-H90 VanDerWaalsContact O-N 3.11Å; H90-R92 PolarHBondContact O-N 2.98Å; H90-V93 PolarHBondContact O-N 2.81Å; H90-V93 VanDerWaalsContact O-N 3.11Å; H90-L94 WeakPolarHBondContact O-CG 3.33Å; H90-L94 PolarHBondContact O-N 2.84Å; H90-L401 HydrophobicContact CB-CD1 4Å; H90-L401 HydrophobicContact CB-CD2 3.99Å
91	K	93.6	Very high	92.5	Very high	73 Å²	73	63.8 Å²	63.8	32%	0.317	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-33.5	176.2	-66	178	-177.9	177.7	0	112.5	L86 K87 S89 K95 F269	L86-K91 HydrophobicContact CB-CG 4.12Å; L86-K91 HydrophobicContact CD1-CG 4.42Å; L86-K91 WeakPolarHBondContact O-CE 3.42Å; K87-K91 PolarHBondContact O-N 3.39Å; K87-K91 VanDerWaalsContact O-N 3.08Å; S89-K91 PolarHBondContact O-N 3.27Å; K91-K95 VanDerWaalsContact O-CB 3.23Å; K91-K95 WeakPolarHBondContact O-CB 3.04Å; K91-K95 PolarHBondContact O-N 2.94Å; K91-F269 HydrophobicContact CB-CZ 4.4Å; K91-F269 HydrophobicContact CG-CE2 4.23Å; K91-F269 HydrophobicContact CG-CZ 4.08Å
92	R	93.9	Very high	93.2	Very high	114 Å²	114	66.3 Å²	66.3	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-45	175.4	-178.8	174.9	65.4	-141.9	2.3	111.4	K88 S89 H90 K95 N96	K88-R92 PolarHBondContact O-N 2.91Å; K88-R92 VanDerWaalsContact O-N 3.12Å; S89-R92 WeakPolarHBondContact O-CB 3.48Å; S89-R92 PolarHBondContact O-N 3.13Å; S89-R92 VanDerWaalsContact O-N 3.15Å; H90-R92 PolarHBondContact O-N 2.98Å; R92-K95 PolarHBondContact O-N 3.21Å; R92-N96 WeakPolarHBondContact O-CB 3.36Å; R92-N96 PolarHBondContact O-N 3.4Å; R92-N96 PolarHBondContact O-OD1 2.93Å
93	V	95.5	Very high	93.8	Very high	5 Å²	5	66 Å²	66	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-50.2	176.7	174.6	0	0	0	0	110.7	S89 H90 K95 N96 M97 H394 T397	S89-V93 PolarHBondContact O-N 3.12Å; S89-V93 VanDerWaalsContact O-N 3.11Å; H90-V93 PolarHBondContact O-N 2.81Å; H90-V93 VanDerWaalsContact O-N 3.11Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.15Å; V93-N96 PolarHBondContact O-N 2.96Å; V93-M97 PolarHBondContact O-N 3.06Å; V93-H394 HydrophobicContact CG1-CB 4.3Å; V93-H394 HydrophobicContact CG2-CB 3.94Å; V93-T397 HydrophobicContact CB-CG2 4.41Å; V93-T397 HydrophobicContact CG1-CG2 4.37Å; V93-T397 HydrophobicContact CG2-CG2 3.97Å
94	L	94.9	Very high	94.2	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-41.8	178.6	-66.3	167.9	0	0	0	112.4	L86 H90 M97 Y98 I266 F269 L270 Y398 L401	L86-L94 HydrophobicContact CD1-CD1 4.24Å; L86-L94 HydrophobicContact CD2-CD1 3.99Å; H90-L94 WeakPolarHBondContact O-CG 3.33Å; H90-L94 PolarHBondContact O-N 2.84Å; L94-M97 PolarHBondContact O-N 2.97Å; L94-Y98 WeakPolarHBondContact O-CB 3.44Å; L94-Y98 PolarHBondContact O-N 3.24Å; L94-I266 HydrophobicContact CD1-CG1 4.42Å; L94-F269 HydrophobicContact CB-CB 4.12Å; L94-F269 HydrophobicContact CB-CD1 3.94Å; L94-F269 HydrophobicContact CB-CG 4.09Å; L94-F269 HydrophobicContact CD1-CB 3.85Å; L94-F269 HydrophobicContact CD1-CD1 4.46Å; L94-F269 HydrophobicContact CD1-CD2 3.98Å; L94-F269 HydrophobicContact CD1-CG 3.85Å; L94-F269 HydrophobicContact CD2-CB 4.44Å; L94-F269 HydrophobicContact CG-CB 4.36Å; L94-L270 HydrophobicContact CD2-CD2 3.72Å; L94-Y398 HydrophobicContact CD2-CD2 4.45Å; L94-Y398 HydrophobicContact CD2-CE2 4.47Å; L94-L401 HydrophobicContact CD1-CD1 4.25Å; L94-L401 HydrophobicContact CD2-CD1 4.09Å; L94-L401 HydrophobicContact CG-CD1 3.92Å
95	K	94.4	Very high	94.5	Very high	123 Å²	123	63.5 Å²	63.5	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-67.2	-39.1	176.4	-174.4	176	179.8	179.9	0	112.5	K91 R92 V93 Y98 N99	K91-K95 VanDerWaalsContact O-CB 3.23Å; K91-K95 WeakPolarHBondContact O-CB 3.04Å; K91-K95 PolarHBondContact O-N 2.94Å; R92-K95 PolarHBondContact O-N 3.21Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.15Å; K95-Y98 PolarHBondContact O-N 3.47Å; K95-N99 WeakPolarHBondContact O-CB 3.32Å; K95-N99 VanDerWaalsContact O-CG 3.26Å; K95-N99 PolarHBondContact O-N 2.95Å
96	N	95.4	Very high	94.4	Very high	27 Å²	27	61 Å²	61	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-45.2	176.1	-74.4	-1.9	0	0	0	110.6	R92 V93 N99 F100 P107	R92-N96 WeakPolarHBondContact O-CB 3.36Å; R92-N96 PolarHBondContact O-N 3.4Å; R92-N96 PolarHBondContact O-OD1 2.93Å; V93-N96 PolarHBondContact O-N 2.96Å; N96-N99 PolarHBondContact O-N 3.31Å; N96-F100 WeakPolarHBondContact O-CB 3.4Å; N96-F100 PolarHBondContact O-N 3.43Å; N96-P107 HydrophobicContact CB-CG 3.97Å; N96-P107 WeakPolarHBondContact ND2-CG 3.49Å
97	M	96.2	Very high	93.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-53.3	174.1	-176	63.5	78.5	0	0	111	V93 L94 N99 F100 L101 I283 L393 L395 Y398	V93-M97 PolarHBondContact O-N 3.06Å; L94-M97 PolarHBondContact O-N 2.97Å; M97-N99 VanDerWaalsContact C-N 3.32Å; M97-N99 PolarHBondContact O-N 2.91Å; M97-F100 WeakPolarHBondContact O-CB 3.41Å; M97-F100 PolarHBondContact O-N 3.26Å; M97-F100 VanDerWaalsContact O-N 3.12Å; M97-F100 HydrophobicContact SD-CD1 4.47Å; M97-L101 HydrophobicContact CG-CD1 3.8Å; M97-L101 HydrophobicContact CG-CG 4.15Å; M97-L101 WeakPolarHBondContact O-CG 3.3Å; M97-L101 PolarHBondContact O-N 3.47Å; M97-L101 HydrophobicContact SD-CD1 3.98Å; M97-L101 HydrophobicContact SD-CD2 4.15Å; M97-L101 HydrophobicContact SD-CG 3.92Å; M97-I283 HydrophobicContact SD-CG1 4.36Å; M97-L393 HydrophobicContact CE-CB 4.12Å; M97-L393 HydrophobicContact CE-CD1 3.96Å; M97-L393 HydrophobicContact CE-CG 4.43Å; M97-L393 HydrophobicContact SD-CD1 4.04Å; M97-L393 HydrophobicContact SD-CD2 4.21Å; M97-L395 HydrophobicContact CE-CD2 3.76Å; M97-Y398 HydrophobicContact CB-CD2 4.09Å; M97-Y398 HydrophobicContact CB-CE2 3.95Å; M97-Y398 HydrophobicContact CE-CD1 3.59Å; M97-Y398 HydrophobicContact CE-CD2 3.79Å; M97-Y398 HydrophobicContact CE-CE1 3.67Å; M97-Y398 HydrophobicContact CE-CE2 3.88Å; M97-Y398 HydrophobicContact CE-CG 3.63Å; M97-Y398 HydrophobicContact CG-CD2 4.06Å; M97-Y398 HydrophobicContact CG-CE2 3.53Å
98	Y	96	Very high	93	Very high	65 Å²	65	62.6 Å²	62.6	26%	0.255	30%	0.296	S	S	.	.	H	α-helix	trans	-53.7	-47.2	178.3	170.9	-94.1	0	0	0	112.6	L94 K95 F100 L101 K102 F103 S272	L94-Y98 WeakPolarHBondContact O-CB 3.44Å; L94-Y98 PolarHBondContact O-N 3.24Å; K95-Y98 PolarHBondContact O-N 3.47Å; Y98-F100 VanDerWaalsContact C-N 3.34Å; Y98-F100 PolarHBondContact O-N 2.89Å; Y98-L101 PolarHBondContact O-N 3.19Å; Y98-K102 HydrophobicContact CE1-CB 4.33Å; Y98-K102 HydrophobicContact CE2-CB 4.3Å; Y98-K102 WeakPolarHBondContact O-CB 3.35Å; Y98-K102 PolarHBondContact O-N 3.26Å; Y98-F103 HydrophobicContact CE1-CE2 4.04Å; Y98-S272 WeakPolarHBondContact CD2-O 3.45Å; Y98-S272 WeakPolarHBondContact CE2-O 3.45Å
99	N	96.5	Very high	91.2	Very high	35 Å²	35	62.7 Å²	62.7	19%	0.187	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-38.3	-179.9	-76.8	-8.3	0	0	0	112.4	K95 N96 M97 F103 G104 Q105	K95-N99 WeakPolarHBondContact O-CB 3.32Å; K95-N99 VanDerWaalsContact O-CG 3.26Å; K95-N99 PolarHBondContact O-N 2.95Å; N96-N99 PolarHBondContact O-N 3.31Å; M97-N99 VanDerWaalsContact C-N 3.32Å; M97-N99 PolarHBondContact O-N 2.91Å; N99-F103 WeakPolarHBondContact O-CA 3.47Å; N99-F103 WeakPolarHBondContact O-CB 3.25Å; N99-F103 PolarHBondContact O-N 3.39Å; N99-G104 PolarHBondContact O-N 2.66Å; N99-Q105 HydrophobicContact CB-CB 4.3Å; N99-Q105 PolarHBondContact O-N 3.12Å
100	F	97.8	Very high	89.1	Confident	13 Å²	13	68.6 Å²	68.6	6%	0.057	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-48.7	174.7	172.6	-106.5	0	0	0	111.1	N96 M97 Y98 G104 Q105 L106 H281 L361 Y390 F392 L393	N96-F100 WeakPolarHBondContact O-CB 3.4Å; N96-F100 PolarHBondContact O-N 3.43Å; M97-F100 WeakPolarHBondContact O-CB 3.41Å; M97-F100 PolarHBondContact O-N 3.26Å; M97-F100 VanDerWaalsContact O-N 3.12Å; M97-F100 HydrophobicContact SD-CD1 4.47Å; Y98-F100 VanDerWaalsContact C-N 3.34Å; Y98-F100 PolarHBondContact O-N 2.89Å; F100-G104 WeakPolarHBondContact O-CA 3.27Å; F100-G104 PolarHBondContact O-N 2.99Å; F100-Q105 WeakPolarHBondContact CA-O 3.39Å; F100-L106 HydrophobicContact CD2-CD2 4.37Å; F100-H281 AromaticContact CZ-CD2 3.9Å; F100-L361 HydrophobicContact CE1-CD1 3.74Å; F100-L361 HydrophobicContact CE1-CD2 4.3Å; F100-L361 HydrophobicContact CZ-CD1 4.32Å; F100-L361 HydrophobicContact CZ-CD2 4.15Å; F100-Y390 HydrophobicContact CZ-CD1 4.35Å; F100-Y390 HydrophobicContact CZ-CE1 4.1Å; F100-F392 AromaticContact CD2-CE2 3.84Å; F100-F392 HydrophobicContact CD2-CE2 3.84Å; F100-F392 HydrophobicContact CD2-CZ 4.08Å; F100-F392 HydrophobicContact CE2-CE2 4.16Å; F100-F392 AromaticContact CE2-CZ 3.91Å; F100-F392 HydrophobicContact CE2-CZ 3.91Å; F100-F392 HydrophobicContact CG-CE2 4.24Å; F100-F392 HydrophobicContact CZ-CZ 4.41Å; F100-L393 HydrophobicContact CB-CD2 3.72Å; F100-L393 HydrophobicContact CD1-CD1 3.78Å; F100-L393 HydrophobicContact CD1-CD2 3.87Å; F100-L393 HydrophobicContact CD1-CG 4.44Å; F100-L393 HydrophobicContact CE1-CD1 3.89Å; F100-L393 HydrophobicContact CG-CD1 4.42Å; F100-L393 HydrophobicContact CG-CD2 3.8Å
101	L	97.7	Very high	86.2	Confident	0 Å²	0	75 Å²	75	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-46.1	-180	-60.1	179.7	0	0	0	112.1	M97 Y98 E273 P274 K280 H281 I283 L361	M97-L101 HydrophobicContact CG-CD1 3.8Å; M97-L101 HydrophobicContact CG-CG 4.15Å; M97-L101 WeakPolarHBondContact O-CG 3.3Å; M97-L101 PolarHBondContact O-N 3.47Å; M97-L101 HydrophobicContact SD-CD1 3.98Å; M97-L101 HydrophobicContact SD-CD2 4.15Å; M97-L101 HydrophobicContact SD-CG 3.92Å; Y98-L101 PolarHBondContact O-N 3.19Å; L101-E273 HydrophobicContact CD1-CB 4.33Å; L101-E273 HydrophobicContact CD1-CG 4.33Å; L101-P274 HydrophobicContact CB-CG 3.57Å; L101-K280 PolarHBondContact O-N 3.43Å; L101-H281 CarbonylContact C-O 3.56Å; L101-H281 HydrophobicContact CD2-CB 3.91Å; L101-H281 PolarHBondContact O-N 3.31Å; L101-H281 VanDerWaalsContact O-O 3.05Å; L101-I283 HydrophobicContact CD1-CB 4.45Å; L101-I283 HydrophobicContact CD1-CG1 3.73Å; L101-I283 HydrophobicContact CD2-CD1 4.02Å; L101-I283 HydrophobicContact CD2-CG1 3.67Å; L101-I283 HydrophobicContact CG-CG1 4.31Å; L101-L361 HydrophobicContact CD2-CD1 4.08Å
102	K	97.2	Very high	83.6	Confident	70 Å²	70	76 Å²	76	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-72	-42.6	-176.3	-169.7	65.8	175.3	-177.9	0	112.4	Y98 P274 E278 K280	Y98-K102 HydrophobicContact CE1-CB 4.33Å; Y98-K102 HydrophobicContact CE2-CB 4.3Å; Y98-K102 WeakPolarHBondContact O-CB 3.35Å; Y98-K102 PolarHBondContact O-N 3.26Å; K102-P274 HydrophobicContact CD-CB 4.28Å; K102-E278 PolarHBondContact NZ-O 3.42Å; K102-K280 PolarHBondContact O-N 3.19Å
103	F	96.8	Very high	80.6	Confident	107 Å²	107	78.5 Å²	78.5	47%	0.469	38%	0.376	S	S	.	.	H	α-helix	trans	-123.5	-4.5	-167.2	-52.4	-65.6	0	0	0	114.8	Y98 N99 Q105	Y98-F103 HydrophobicContact CE1-CE2 4.04Å; N99-F103 WeakPolarHBondContact O-CA 3.47Å; N99-F103 WeakPolarHBondContact O-CB 3.25Å; N99-F103 PolarHBondContact O-N 3.39Å; F103-Q105 HydrophobicContact CB-CB 4.44Å; F103-Q105 HydrophobicContact CB-CG 3.72Å; F103-Q105 PolarHBondContact O-N 3.15Å
104	G	95	Very high	77.8	Confident	29 Å²	29	84.1 Å²	84.1	30%	0.299	41%	0.413	S	S	.	.			trans	69.5	16.9	-171.8	0	0	0	0	0	113.5	N99 F100	N99-G104 PolarHBondContact O-N 2.66Å; F100-G104 WeakPolarHBondContact O-CA 3.27Å; F100-G104 PolarHBondContact O-N 2.99Å
105	Q	92	Very high	74.8	Confident	98 Å²	98	93.4 Å²	93.4	46%	0.458	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-81	127.4	-174.1	-73.3	173.2	14.2	0	0	112	N99 F100 F103	N99-Q105 HydrophobicContact CB-CB 4.3Å; N99-Q105 PolarHBondContact O-N 3.12Å; F100-Q105 WeakPolarHBondContact CA-O 3.39Å; F103-Q105 HydrophobicContact CB-CB 4.44Å; F103-Q105 HydrophobicContact CB-CG 3.72Å; F103-Q105 PolarHBondContact O-N 3.15Å
106	L	87.8	Confident	71.7	Confident	89 Å²	89	96.7 Å²	96.7	47%	0.466	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-84.3	141.5	171.7	-61.1	173.2	0	0	0	110.6	F100 H108 V130 F392	F100-L106 HydrophobicContact CD2-CD2 4.37Å; L106-H108 PolarHBondContact O-N 3.27Å; L106-V130 HydrophobicContact CD1-CG1 4.26Å; L106-F392 HydrophobicContact CD2-CD1 4.19Å; L106-F392 HydrophobicContact CD2-CD2 3.78Å; L106-F392 HydrophobicContact CD2-CE1 3.71Å; L106-F392 HydrophobicContact CD2-CE2 3.26Å; L106-F392 HydrophobicContact CD2-CG 4.22Å; L106-F392 HydrophobicContact CD2-CZ 3.24Å
107	P	80.6	Confident	68.9	Low	27 Å²	27	100 Å²	100	18%	0.175	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-58.9	133.8	174.5	-22.7	33.4	0	0	0	111.6	N96 R109 R127 F392	N96-P107 HydrophobicContact CB-CG 3.97Å; N96-P107 WeakPolarHBondContact ND2-CG 3.49Å; P107-R109 PolarHBondContact O-N 2.87Å; P107-R127 PolarHBondContact O-NH1 2.95Å; P107-F392 HydrophobicContact CG-CD2 4.21Å
108	H	72	Confident	66	Low	178 Å²	178	105.9 Å²	105.9	82%	0.824	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-52	128	177.6	-110.3	40.4	0	0	0	111.8	L106 K110 R127	L106-H108 PolarHBondContact O-N 3.27Å; H108-K110 PolarHBondContact O-N 3Å; H108-R127 PolarHBondContact O-NH1 3.28Å
109	R	55.9	Low	63.1	Low	185 Å²	185	109.7 Å²	109.7	70%	0.698	55%	0.55	S	S	*	*			trans	-62.8	106.6	171.6	-163.7	174.8	-176.5	171.7	0.9	107.8	P107 M111	P107-R109 PolarHBondContact O-N 2.87Å; R109-M111 PolarHBondContact O-N 2.9Å
110	K	48.3	Very low	60.1	Low	167 Å²	167	113.6 Å²	113.6	73%	0.726	57%	0.572	S	S	*	*			trans	-74.6	111.9	162.5	-73.9	-168.3	177.4	-170.5	0	105.4	H108 S112	H108-K110 PolarHBondContact O-N 3Å; K110-S112 PolarHBondContact O-N 3.08Å
111	M	33.2	Very low	57.1	Low	167 Å²	167	120 Å²	120	82%	0.823	61%	0.606	S	S	*	*			trans	-68.3	85.1	158.2	-69.4	-158.2	73.7	0	0	107	R109	R109-M111 PolarHBondContact O-N 2.9Å
112	S	38.5	Very low	54.1	Low	93 Å²	93	130.6 Å²	130.6	65%	0.65	65%	0.646	S	S	*	*			trans	-87.2	117.2	163.3	48.3	0	0	0	0	107.6	K110	K110-S112 PolarHBondContact O-N 3.08Å
113	H	31.5	Very low	51.3	Low	168 Å²	168	130.9 Å²	130.9	78%	0.778	65%	0.65	S	S	*	*			trans	-52.9	141.4	158.9	-77	-81.7	0	0	0	108.9	K115	H113-K115 PolarHBondContact O-N 3.09Å
114	P	36.7	Very low	48.6	Very low	123 Å²	123	128.2 Å²	128.2	80%	0.799	64%	0.64	S	S	*	*			trans	-62	106.5	178.7	-10.6	23.9	0	0	0	108.2
115	K	31.9	Very low	45.9	Very low	197 Å²	197	130.6 Å²	130.6	86%	0.857	65%	0.646	S	S	*	*			trans	-104.7	110.1	157.1	-76.2	-169.4	175.6	-174.8	0	105.4	H113 D117	H113-K115 PolarHBondContact O-N 3.09Å; K115-D117 PolarHBondContact O-N 3.27Å
116	E	29.4	Very low	43.4	Very low	192 Å²	192	129.7 Å²	129.7	90%	0.897	64%	0.642	S	S	*	*			trans	-64.5	98.2	172.9	-65.1	179.9	163.1	0	0	108.3
117	D	34.9	Very low	41.1	Very low	97 Å²	97	127.8 Å²	127.8	52%	0.519	63%	0.628	S	S	.	*			trans	-104.1	111	159.4	-177.4	-9.3	0	0	0	107.2	K115 N119 N120	K115-D117 PolarHBondContact O-N 3.27Å; D117-N119 PolarHBondContact O-N 3.13Å; D117-N119 VanDerWaalsContact O-N 3.13Å; D117-N119 PolarHBondContact OD1-N 3.09Å; D117-N119 VanDerWaalsContact OD1-N 3.09Å; D117-N120 PolarHBondContact O-N 2.88Å
118	P	36.6	Very low	38.9	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-20.2	-177.3	-21.4	31.5	0	0	0	114.4
119	N	35.1	Very low	37	Very low	145 Å²	145	131 Å²	131	78%	0.775	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-4.6	-176.3	-74.5	-35.8	0	0	0	114.2	D117 L121	D117-N119 PolarHBondContact O-N 3.13Å; D117-N119 VanDerWaalsContact O-N 3.13Å; D117-N119 PolarHBondContact OD1-N 3.09Å; D117-N119 VanDerWaalsContact OD1-N 3.09Å; N119-L121 VanDerWaalsContact C-N 3.27Å; N119-L121 PolarHBondContact O-N 2.94Å
120	N	32.4	Very low	35.8	Very low	118 Å²	118	126.3 Å²	126.3	63%	0.631	63%	0.634	S	S	*	*	S	Bend	trans	-84.2	79.5	171.4	-151.6	20.8	0	0	0	107.9	D117 R122	D117-N120 PolarHBondContact O-N 2.88Å; N120-R122 PolarHBondContact O-N 3.4Å
121	L	35	Very low	34.9	Very low	148 Å²	148	122.9 Å²	122.9	78%	0.775	63%	0.631	S	S	*	*			trans	-39.7	115.3	165.8	-78.6	160.9	0	0	0	107.4	N119 I123	N119-L121 VanDerWaalsContact C-N 3.27Å; N119-L121 PolarHBondContact O-N 2.94Å; L121-I123 PolarHBondContact O-N 3.04Å
122	R	35	Very low	34.9	Very low	222 Å²	222	123.8 Å²	123.8	84%	0.838	63%	0.634	S	S	*	*			trans	-44.7	103.6	-173.7	-69.7	177.9	177.2	157.4	-2	108.7	N120 D124	N120-R122 PolarHBondContact O-N 3.4Å; R122-D124 PolarHBondContact O-N 3.04Å; R122-D124 VanDerWaalsContact O-N 3.1Å
123	I	39.5	Very low	34.4	Very low	75 Å²	75	128.3 Å²	128.3	39%	0.385	64%	0.644	S	S	.	*			trans	-73.1	99	154.7	-61.7	175.2	0	0	0	101.3	L121 D125	L121-I123 PolarHBondContact O-N 3.04Å; I123-D125 VanDerWaalsContact C-N 3.34Å; I123-D125 PolarHBondContact O-N 2.91Å
124	D	40.1	Very low	34.2	Very low	52 Å²	52	129.6 Å²	129.6	28%	0.278	65%	0.648	S	S	.	*			trans	-38.7	98.2	179	-69.8	-27.1	0	0	0	110.1	R122 H126 H394	R122-D124 PolarHBondContact O-N 3.04Å; R122-D124 VanDerWaalsContact O-N 3.1Å; D124-H126 IonicContact OD1-CD2 2.82Å; D124-H126 IonicContact OD1-NE2 3.54Å; D124-H394 PolarHBondContact O-ND1 2.74Å
125	D	37.3	Very low	33.8	Very low	78 Å²	78	128.2 Å²	128.2	42%	0.417	65%	0.647	S	S	.	*			trans	-110.2	54.9	175	-165.9	0.8	0	0	0	107.2	I123 R127	I123-D125 VanDerWaalsContact C-N 3.34Å; I123-D125 PolarHBondContact O-N 2.91Å; D125-R127 PolarHBondContact O-N 3.31Å; D125-R127 WeakPolarHBondContact OD1-CD 3.46Å; D125-R127 VanDerWaalsContact OD1-CG 3.26Å; D125-R127 WeakPolarHBondContact OD1-CG 3.44Å; D125-R127 IonicContact OD1-CZ 3.27Å; D125-R127 IonicContact OD1-NE 3.9Å; D125-R127 PolarHBondContact OD1-NE 2.93Å; D125-R127 IonicContact OD1-NH2 2.78Å; D125-R127 PolarHBondContact OD1-NH2 2.87Å; D125-R127 IonicContact OD2-CZ 3.17Å; D125-R127 IonicContact OD2-NE 3.21Å; D125-R127 IonicContact OD2-NH2 3.86Å; D125-R127 PolarHBondContact OD2-NH2 3.3Å
126	H	40.1	Very low	33.7	Very low	79 Å²	79	122.3 Å²	122.3	37%	0.366	63%	0.628	S	S	.	*			trans	-79.5	63.7	174.2	-62.7	-68.1	0	0	0	109.7	D124 I128 I316 S391	D124-H126 IonicContact OD1-CD2 2.82Å; D124-H126 IonicContact OD1-NE2 3.54Å; H126-I128 VanDerWaalsContact C-N 3.28Å; H126-I128 PolarHBondContact O-N 2.65Å; H126-I316 HydrophobicContact CB-CD1 4.23Å; H126-S391 PolarHBondContact O-OG 2.95Å
127	R	38.3	Very low	33.6	Very low	49 Å²	49	118.5 Å²	118.5	19%	0.185	62%	0.62	C	S	.	*			trans	-85.2	23.2	176.8	-84.9	-170.1	-72.9	-175	-7.4	114.2	P107 H108 D125 F129 F392	P107-R127 PolarHBondContact O-NH1 2.95Å; H108-R127 PolarHBondContact O-NH1 3.28Å; D125-R127 PolarHBondContact O-N 3.31Å; D125-R127 WeakPolarHBondContact OD1-CD 3.46Å; D125-R127 VanDerWaalsContact OD1-CG 3.26Å; D125-R127 WeakPolarHBondContact OD1-CG 3.44Å; D125-R127 IonicContact OD1-CZ 3.27Å; D125-R127 IonicContact OD1-NE 3.9Å; D125-R127 PolarHBondContact OD1-NE 2.93Å; D125-R127 IonicContact OD1-NH2 2.78Å; D125-R127 PolarHBondContact OD1-NH2 2.87Å; D125-R127 IonicContact OD2-CZ 3.17Å; D125-R127 IonicContact OD2-NE 3.21Å; D125-R127 IonicContact OD2-NH2 3.86Å; D125-R127 PolarHBondContact OD2-NH2 3.3Å; R127-F129 VanDerWaalsContact C-N 3.29Å; R127-F129 PolarHBondContact O-N 2.8Å; R127-F392 HydrophobicContact CG-CB 4.22Å
128	I	34.8	Very low	33.3	Very low	133 Å²	133	119.2 Å²	119.2	68%	0.682	63%	0.628	S	S	*	*			trans	-72.8	-17.9	-175.5	-65.4	178.7	0	0	0	113	H126	H126-I128 VanDerWaalsContact C-N 3.28Å; H126-I128 PolarHBondContact O-N 2.65Å
129	F	33	Very low	33	Very low	141 Å²	141	118.4 Å²	118.4	62%	0.618	62%	0.616	S	S	*	*			trans	-124.6	75	-177.9	-66.6	-85	0	0	0	112.9	R127	R127-F129 VanDerWaalsContact C-N 3.29Å; R127-F129 PolarHBondContact O-N 2.8Å
130	V	30.5	Very low	32.5	Very low	85 Å²	85	115.1 Å²	115.1	52%	0.515	60%	0.604	S	S	.	*			trans	-118.1	82.8	144.9	-175.3	0	0	0	0	105.2	L106 E132	L106-V130 HydrophobicContact CD1-CG1 4.26Å; V130-E132 PolarHBondContact O-N 3.02Å
131	S	29.4	Very low	32.3	Very low	96 Å²	96	115.9 Å²	115.9	67%	0.671	60%	0.602	S	S	*	*			trans	-64.7	129.5	164.6	-56.7	0	0	0	0	107.3	E133	S131-E133 PolarHBondContact O-N 3.03Å
132	E	31.8	Very low	31.9	Very low	186 Å²	186	117.2 Å²	117.2	87%	0.869	60%	0.602	S	S	*	*	S	Bend	trans	-47.9	124.6	175.2	-71.4	170.2	161.4	0	0	110.3	V130	V130-E132 PolarHBondContact O-N 3.02Å
133	E	28.8	Very low	31.5	Very low	187 Å²	187	113.9 Å²	113.9	87%	0.874	60%	0.601	S	S	*	*	S	Bend	trans	40.5	79.1	159.5	-60	-172.9	170.8	0	0	117.7	S131	S131-E133 PolarHBondContact O-N 3.03Å
134	K	27.5	Very low	30.9	Very low	196 Å²	196	115.5 Å²	115.5	85%	0.852	61%	0.614	S	S	*	*				-131	120.1	127.2	-72	-171.9	-179.4	175.2	0	107.5	P136	K134-P136 VanDerWaalsContact O-N 3.09Å
135	A	28.8	Very low	30.2	Very low	94 Å²	94	120.3 Å²	120.3	78%	0.777	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-48.2	121.5	172.5	0	0	0	0	0	108.2
136	P	30.2	Very low	29.7	Very low	72 Å²	72	120.8 Å²	120.8	47%	0.468	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-58.9	139.6	179.5	21.9	-30.2	0	0	0	108	K134 V138	K134-P136 VanDerWaalsContact O-N 3.09Å; P136-V138 PolarHBondContact O-N 3.12Å
137	P	27.2	Very low	29	Very low	113 Å²	113	124 Å²	124	73%	0.734	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-54.8	121.1	-174.2	20.4	-30.8	0	0	0	109.3	L139	P137-L139 PolarHBondContact O-N 2.93Å
138	V	27.4	Very low	28.3	Very low	112 Å²	112	130 Å²	130	68%	0.679	71%	0.708	S	S	*	*			trans	-57.9	112.2	170.3	178.3	0	0	0	0	106	P136 S140	P136-V138 PolarHBondContact O-N 3.12Å; V138-S140 PolarHBondContact O-N 2.91Å
139	L	31.1	Very low	27.7	Very low	105 Å²	105	132 Å²	132	55%	0.55	71%	0.714	S	S	.	*			trans	-68.5	88.8	175.5	-71.6	171.6	0	0	0	107.5	P137 F141	P137-L139 PolarHBondContact O-N 2.93Å; L139-F141 PolarHBondContact O-N 2.94Å
140	S	25.4	Very low	27.3	Very low	76 Å²	76	133 Å²	133	53%	0.531	73%	0.726	S	S	.	*			trans	-67.8	127.2	175.6	179.4	0	0	0	0	109.9	V138 K142	V138-S140 PolarHBondContact O-N 2.91Å; S140-K142 PolarHBondContact O-N 3.45Å
141	F	27.5	Very low	26.9	Very low	134 Å²	134	136.8 Å²	136.8	59%	0.588	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-60	-2.4	176.4	-77.4	-86.1	0	0	0	115	L139 N143 W360	L139-F141 PolarHBondContact O-N 2.94Å; F141-N143 VanDerWaalsContact C-N 3.25Å; F141-N143 PolarHBondContact O-N 3.31Å; F141-W360 HydrophobicContact CZ-CH2 4.44Å; F141-W360 HydrophobicContact CZ-CZ3 4.25Å
142	K	26.4	Very low	26.6	Very low	177 Å²	177	138.9 Å²	138.9	77%	0.77	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-69.9	-13.7	-176.2	-75.5	-173.8	175.2	-177.9	0	115.1	S140	S140-K142 PolarHBondContact O-N 3.45Å
143	N	26.1	Very low	26	Very low	151 Å²	151	137.5 Å²	137.5	81%	0.807	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-108	15.4	-174.2	-68.3	-6.1	0	0	0	115.6	F141	F141-N143 VanDerWaalsContact C-N 3.25Å; F141-N143 PolarHBondContact O-N 3.31Å
144	V	27.2	Very low	25.6	Very low	109 Å²	109	135.2 Å²	135.2	66%	0.661	73%	0.728	S	S	*	*	S	Bend	trans	-101.5	-8.1	174.9	-176.7	0	0	0	0	113.2	A146	V144-A146 PolarHBondContact O-N 3.08Å
145	I	25.9	Very low	25.2	Very low	154 Å²	154	134.5 Å²	134.5	79%	0.79	73%	0.725	S	S	*	*			trans	-91.9	70.4	172.5	-50.1	174.7	0	0	0	109.2
146	A	25.6	Very low	24.9	Very low	87 Å²	87	137 Å²	137	72%	0.719	73%	0.725	S	S	*	*			trans	-159.5	40.4	167.9	0	0	0	0	0	112.7	V144	V144-A146 PolarHBondContact O-N 3.08Å
147	V	26.7	Very low	24.5	Very low	148 Å²	148	141.7 Å²	141.7	90%	0.897	74%	0.74	S	S	*	*			trans	-142.9	68.7	158.2	-168.9	0	0	0	0	107.9
148	Q	22.9	Very low	24.1	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	74%	0.735	S	S	*	*			trans	-118.1	111.2	157.9	-78.7	-175.4	-4.9	0	0	106.1
149	Q	22.8	Very low	23.8	Very low	175 Å²	175	141.9 Å²	141.9	82%	0.818	74%	0.735	S	S	*	*			trans	169.1	100.7	144.1	-92.7	165.5	31.6	0	0	107.3
150	N	23.7	Very low	23.3	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	74%	0.739	S	S	*	*			trans	-172	85.2	133.7	-85.6	-13.6	0	0	0	107.1
151	E	22.3	Very low	23.2	Very low	166 Å²	166	150.2 Å²	150.2	78%	0.776	76%	0.757	S	S	*	*				3.9	132	126.2	-71.3	179.7	169.6	0	0	114.4
152	E	22.6	Very low	22.8	Very low	140 Å²	140	151.6 Å²	151.6	65%	0.654	77%	0.766	S	S	*	*				-174.2	128.5	52.4	-124.5	173.9	169.7	0	0	113.3
153	K	19.7	Very low	22.6	Very low	156 Å²	156	149.7 Å²	149.7	68%	0.678	77%	0.769	S	S	*	*				46.6	118.3	127.1	-63.5	177.7	-159.6	140	0	121.4
154	T	20.8	Very low	22.4	Very low	140 Å²	140	148.7 Å²	148.7	86%	0.859	76%	0.764	S	S	*	*			trans	-165.8	93.2	139.1	10.3	0	0	0	0	106.8
155	K	19.7	Very low	22	Very low	181 Å²	181	148.2 Å²	148.2	79%	0.787	76%	0.764	S	S	*	*				42.1	106.2	88.5	-75.9	-170.7	179.3	-179.6	0	115.3
156	N	22.4	Very low	21.8	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	77%	0.77	S	S	*	*				179.1	114.6	125.6	-81.8	-15.3	0	0	0	107.7
157	Q	21.2	Very low	21.6	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.794	77%	0.769	S	S	*	*				50	127.7	86.7	-90.4	-173.5	-21.6	0	0	111.7
158	T	19.8	Very low	21.4	Very low	103 Å²	103	151.5 Å²	151.5	63%	0.632	76%	0.764	S	S	*	*			cis	-176.8	151.2	33.6	-3.7	0	0	0	0	110.1
159	N	20.4	Very low	21.3	Very low	126 Å²	126	152.2 Å²	152.2	67%	0.674	77%	0.765	S	S	*	*			trans	59.7	114.4	136.3	-64.7	-6.6	0	0	0	121.8
160	I	20	Very low	21.3	Very low	121 Å²	121	149.5 Å²	149.5	62%	0.621	76%	0.76	S	S	*	*				67.7	113.9	90.4	-62	163	0	0	0	112.6
161	Y	23	Very low	21.1	Very low	235 Å²	235	146.8 Å²	146.8	92%	0.922	75%	0.754	S	S	*	*			trans	-152.4	118.2	132.3	-85.5	-70.1	0	0	0	110.3
162	Q	20.5	Very low	21	Very low	164 Å²	164	143.7 Å²	143.7	77%	0.766	75%	0.75	S	S	*	*			trans	-78	145	159.9	-80.6	164.9	-74.2	0	0	109.8
163	T	22.4	Very low	20.9	Very low	137 Å²	137	142 Å²	142	84%	0.84	75%	0.753	S	S	*	*			trans	-163	97.1	144.6	4.9	0	0	0	0	111.3
164	D	20.4	Very low	21	Very low	130 Å²	130	139.6 Å²	139.6	70%	0.695	76%	0.756	S	S	*	*				33.1	126.5	116.5	-70.6	-0.8	0	0	0	122.4
165	C	19	Very low	21	Very low	99 Å²	99	138.2 Å²	138.2	67%	0.669	75%	0.748	S	S	*	*			trans	74.3	119.1	135.6	-56.4	0	0	0	0	119.5
166	F	23.2	Very low	21	Very low	209 Å²	209	138.3 Å²	138.3	92%	0.917	75%	0.748	S	S	*	*				-178.8	137.2	94.3	-103.6	-83.1	0	0	0	111.6
167	S	20.2	Very low	20.9	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	75%	0.748	S	S	*	*			trans	-73.4	150.7	171.3	-62.2	0	0	0	0	112.4
168	D	23.1	Very low	21	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	75%	0.747	S	S	*	*				170.3	114.6	119.9	-83.5	-26.8	0	0	0	108.9
169	K	21.2	Very low	21.3	Very low	189 Å²	189	135.1 Å²	135.1	82%	0.822	75%	0.752	S	S	*	*				75.7	128.4	76.5	-109.3	-173.7	-174.7	175.6	0	115.6
170	V	21.1	Very low	21.3	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.715	76%	0.756	S	S	*	*			trans	92.5	100.1	148.3	-173.2	0	0	0	0	114.8
171	S	20.3	Very low	21.3	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	77%	0.768	S	S	*	*				74.7	144.2	93.8	-48.9	0	0	0	0	111.9
172	S	20.4	Very low	21.2	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	75%	0.752	S	S	*	*			cis	175.7	167.8	-0.7	41.5	0	0	0	0	105.6
173	S	21.4	Very low	21.3	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	75%	0.753	S	S	*	*			trans	81.3	108.2	164.4	75.2	0	0	0	0	115.7
174	S	20.3	Very low	21.2	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	75%	0.75	S	S	*	*				71.1	107.5	61.5	-54.5	0	0	0	0	112.5
175	T	20.7	Very low	21.2	Very low	112 Å²	112	129.6 Å²	129.6	69%	0.687	76%	0.759	S	S	*	*				160.7	134.7	104.4	35.7	0	0	0	0	112.9
176	K	21	Very low	21.2	Very low	182 Å²	182	131.4 Å²	131.4	79%	0.791	76%	0.761	S	S	*	*				58.1	149.5	129.9	-60.1	171.8	-175.8	178.9	0	118.6
177	N	20.3	Very low	21.3	Very low	144 Å²	144	127.8 Å²	127.8	77%	0.77	76%	0.757	S	S	*	*			cis	176.6	144.6	-18.6	-102.6	-8.3	0	0	0	103.9
178	A	23.5	Very low	22	Very low	93 Å²	93	128.2 Å²	128.2	77%	0.769	76%	0.757	S	S	*	*			trans	62.1	169.6	154.6	0	0	0	0	0	116.7
179	P	25.4	Very low	22	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	76%	0.759	S	S	*	*			cis	-123.4	163	7.8	22.1	3.5	0	0	0	113.1
180	S	19.1	Very low	22.2	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	76%	0.756	S	S	*	*				74.3	109.1	54.3	-52	0	0	0	0	116.6
181	T	21.8	Very low	22.4	Very low	141 Å²	141	128 Å²	128	87%	0.865	76%	0.761	S	S	*	*			trans	-176.5	150.5	160.6	14	0	0	0	0	106.6
182	S	20.6	Very low	22.7	Very low	86 Å²	86	130.5 Å²	130.5	60%	0.601	77%	0.766	S	S	*	*			cis	-178.5	164.9	-12	42.2	0	0	0	0	107.7
183	H	22.4	Very low	23.1	Very low	170 Å²	170	132.8 Å²	132.8	79%	0.787	77%	0.77	S	S	*	*			trans	77.4	100.6	156.2	-61.4	-60.5	0	0	0	123.1
184	T	19.5	Very low	23.8	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	78%	0.777	S	S	*	*				27.6	125.4	119.2	-29.3	0	0	0	0	121.5
185	L	20.6	Very low	24.3	Very low	168 Å²	168	137.8 Å²	137.8	88%	0.88	78%	0.781	S	S	*	*			trans	-176.6	160.9	137.5	-97.1	164.3	0	0	0	112.4
186	N	19.2	Very low	24.9	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	78%	0.783	S	S	*	*			trans	-80.8	149.7	-160	-65.4	-45.9	0	0	0	118.2
187	T	25.6	Very low	25.3	Very low	134 Å²	134	137.7 Å²	137.7	82%	0.822	78%	0.783	S	S	*	*			trans	57	161.9	150.9	54.5	0	0	0	0	120
188	P	33.6	Very low	26.5	Very low	107 Å²	107	136 Å²	136	70%	0.695	77%	0.77	S	S	*	*			cis	-127.4	170.8	-20.4	37.9	-20.8	0	0	0	114.1
189	N	24.8	Very low	27.2	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	77%	0.769	S	S	*	*			trans	34.2	96.3	154.6	-78.6	-12	0	0	0	118.4
190	N	23.9	Very low	27.8	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	77%	0.771	S	S	*	*			trans	-150.5	118.4	150.4	-91.4	-39.9	0	0	0	110.5	D192	N190-D192 PolarHBondContact O-N 3.08Å
191	N	25.6	Very low	28.8	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	76%	0.761	S	S	*	*			trans	36.4	73.3	149.2	-61	-21.6	0	0	0	117.1	D193	N191-D193 PolarHBondContact O-N 2.82Å
192	D	27.5	Very low	29.4	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	75%	0.746	S	S	*	*			trans	-82.2	108.5	162.6	-81	-37.7	0	0	0	110.1	N190	N190-D192 PolarHBondContact O-N 3.08Å
193	D	29.1	Very low	30.4	Very low	149 Å²	149	137 Å²	137	80%	0.797	75%	0.751	S	S	*	*			trans	-41.9	139.9	154.8	-85	-48.6	0	0	0	111.2	N191 N195	N191-D193 PolarHBondContact O-N 2.82Å; D193-N195 PolarHBondContact O-N 2.95Å
194	N	34.6	Very low	31	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	75%	0.748	S	S	*	*	S	Bend	trans	-70.8	61.6	-167.1	-71	-75.4	0	0	0	114.1
195	N	31.5	Very low	31.6	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	74%	0.744	S	S	*	*			trans	-127.3	61.1	166.9	-136.8	14.7	0	0	0	109.7	D193 E197	D193-N195 PolarHBondContact O-N 2.95Å; N195-E197 PolarHBondContact O-N 3.11Å
196	V	32.9	Very low	32.1	Very low	121 Å²	121	137 Å²	137	73%	0.733	74%	0.744	S	S	*	*			trans	-63.9	107.3	168.5	179.9	0	0	0	0	107.5	F198	V196-F198 PolarHBondContact O-N 2.9Å
197	E	29.3	Very low	32.7	Very low	171 Å²	171	138 Å²	138	80%	0.799	75%	0.748	S	S	*	*			trans	-59.4	117.2	176.6	-163	168.4	-169.1	0	0	109.7	N195 Q199	N195-E197 PolarHBondContact O-N 3.11Å; E197-Q199 PolarHBondContact O-N 3.38Å; E197-Q199 VanDerWaalsContact O-N 3.14Å
198	F	45.8	Very low	33	Very low	110 Å²	110	139.6 Å²	139.6	48%	0.482	75%	0.746	S	S	.	*			trans	-88.2	83.9	-161.7	-130.8	-67.7	0	0	0	110.5	V196 W225	V196-F198 PolarHBondContact O-N 2.9Å; F198-W225 AromaticContact CD1-CE2 3.97Å; F198-W225 HydrophobicContact CD1-CH2 4.14Å; F198-W225 AromaticContact CD1-CZ2 3.56Å; F198-W225 HydrophobicContact CD1-CZ2 3.56Å; F198-W225 AromaticContact CE1-CD2 3.73Å; F198-W225 HydrophobicContact CE1-CD2 3.73Å; F198-W225 AromaticContact CE1-CE2 3.11Å; F198-W225 HydrophobicContact CE1-CE3 4.12Å; F198-W225 HydrophobicContact CE1-CG 4.42Å; F198-W225 AromaticContact CE1-CH2 3.4Å; F198-W225 HydrophobicContact CE1-CH2 3.4Å; F198-W225 AromaticContact CE1-CZ2 2.95Å; F198-W225 HydrophobicContact CE1-CZ2 2.95Å; F198-W225 AromaticContact CE1-CZ3 3.97Å; F198-W225 HydrophobicContact CE1-CZ3 3.97Å; F198-W225 AromaticContact CE1-NE1 3.52Å; F198-W225 AromaticContact CZ-CD1 3.83Å; F198-W225 AromaticContact CZ-CD2 3.69Å; F198-W225 HydrophobicContact CZ-CD2 3.69Å; F198-W225 AromaticContact CZ-CE2 3.43Å; F198-W225 VanDerWaalsContact CZ-CE2 3.43Å; F198-W225 HydrophobicContact CZ-CE3 4.26Å; F198-W225 AromaticContact CZ-CG 3.96Å; F198-W225 HydrophobicContact CZ-CG 3.96Å; F198-W225 HydrophobicContact CZ-CH2 4.31Å; F198-W225 AromaticContact CZ-CZ2 3.8Å; F198-W225 HydrophobicContact CZ-CZ2 3.8Å; F198-W225 AromaticContact CZ-NE1 3.51Å
199	Q	37.7	Very low	32.9	Very low	163 Å²	163	140.4 Å²	140.4	76%	0.762	75%	0.754	S	S	*	*			trans	-72.3	141.3	179.2	-70.8	-176.5	-2.1	0	0	112.8	E197 I201	E197-Q199 PolarHBondContact O-N 3.38Å; E197-Q199 VanDerWaalsContact O-N 3.14Å; Q199-I201 PolarHBondContact O-N 3.11Å
200	S	39.3	Very low	33.2	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	75%	0.745	S	S	*	*			trans	-65.9	120.8	172	53.1	0	0	0	0	110.8	S202	S200-S202 PolarHBondContact O-N 3.11Å
201	I	39.8	Very low	33.7	Very low	109 Å²	109	136 Å²	136	56%	0.559	75%	0.747	S	S	*	*			trans	-72.5	113.1	167.8	-56.6	172.6	0	0	0	107.4	Q199	Q199-I201 PolarHBondContact O-N 3.11Å
202	S	33.8	Very low	34.5	Very low	77 Å²	77	134.3 Å²	134.3	54%	0.538	75%	0.747	S	S	.	*			trans	-63.5	141.7	176.1	62.2	0	0	0	0	110.8	S200 S204	S200-S202 PolarHBondContact O-N 3.11Å; S202-S204 PolarHBondContact O-N 2.99Å
203	S	42.5	Very low	34.8	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	13.1	-175.1	-61.2	0	0	0	0	115.3
204	S	34.5	Very low	35.4	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-5.1	-177.3	-67.5	0	0	0	0	115.3	S202 R206	S202-S204 PolarHBondContact O-N 2.99Å; S204-R206 PolarHBondContact O-N 3.29Å; S204-R206 VanDerWaalsContact O-N 3.08Å
205	N	31.3	Very low	36.3	Very low	127 Å²	127	130.8 Å²	130.8	68%	0.679	74%	0.735	S	S	*	*			trans	-85.6	83.4	169.5	-76.6	-9	0	0	0	110.1	I207	N205-I207 PolarHBondContact O-N 3.24Å
206	R	30.9	Very low	37.5	Very low	233 Å²	233	132.2 Å²	132.2	88%	0.879	74%	0.736	S	S	*	*			trans	-59.2	95.2	151.5	-73.3	-177.2	-149.1	175.8	7.2	106.3	S204 Q208	S204-R206 PolarHBondContact O-N 3.29Å; S204-R206 VanDerWaalsContact O-N 3.08Å; R206-Q208 VanDerWaalsContact C-N 3.28Å; R206-Q208 PolarHBondContact O-N 3.32Å
207	I	33.1	Very low	39.5	Very low	157 Å²	157	135.9 Å²	135.9	81%	0.805	74%	0.742	S	S	*	*			trans	-61.4	103.5	164.1	-64.2	173.1	0	0	0	104.7	N205 S209	N205-I207 PolarHBondContact O-N 3.24Å; I207-S209 PolarHBondContact O-N 3.24Å; I207-S209 VanDerWaalsContact O-N 3.11Å
208	Q	30.9	Very low	42.1	Very low	168 Å²	168	131.4 Å²	131.4	79%	0.785	72%	0.722	S	S	*	*			trans	-54.8	118.2	170.7	-74.8	177.5	-13.5	0	0	107	R206 S210	R206-Q208 VanDerWaalsContact C-N 3.28Å; R206-Q208 PolarHBondContact O-N 3.32Å; Q208-S210 VanDerWaalsContact C-N 3.28Å; Q208-S210 PolarHBondContact O-N 2.83Å
209	S	32.7	Very low	44.3	Very low	124 Å²	124	133.5 Å²	133.5	87%	0.867	73%	0.731	S	S	*	*			trans	-67.9	84.4	175.9	48.8	0	0	0	0	109.3	I207	I207-S209 PolarHBondContact O-N 3.24Å; I207-S209 VanDerWaalsContact O-N 3.11Å
210	S	30.8	Very low	46.9	Very low	93 Å²	93	127.9 Å²	127.9	65%	0.65	71%	0.713	S	S	*	*			trans	-149.3	78.7	167.2	53.5	0	0	0	0	111.1	Q208	Q208-S210 VanDerWaalsContact C-N 3.28Å; Q208-S210 PolarHBondContact O-N 2.83Å
211	S	33.7	Very low	49.5	Very low	114 Å²	114	128.5 Å²	128.5	80%	0.797	70%	0.703	S	S	*	*			trans	171.3	125.5	136.5	46.2	0	0	0	0	111.1	Y213	S211-Y213 VanDerWaalsContact C-N 3.27Å; S211-Y213 PolarHBondContact O-N 2.86Å; S211-Y213 VanDerWaalsContact O-N 3.12Å
212	S	43.8	Very low	52	Low	117 Å²	117	126 Å²	126	82%	0.818	69%	0.69	S	S	*	*			trans	-81.4	34.5	-172	-176.3	0	0	0	0	114.5
213	Y	33.3	Very low	54.9	Low	225 Å²	225	128.2 Å²	128.2	88%	0.882	69%	0.687	S	S	*	*			trans	-135.3	103	-179.4	-79	-85	0	0	0	111.7	S211	S211-Y213 VanDerWaalsContact C-N 3.27Å; S211-Y213 PolarHBondContact O-N 2.86Å; S211-Y213 VanDerWaalsContact O-N 3.12Å
214	G	41.6	Very low	57.4	Low	57 Å²	57	132.7 Å²	132.7	59%	0.588	69%	0.688	S	S	*	*			trans	153.1	-4.4	163.2	0	0	0	0	0	119.7	H216 K217	G214-H216 PolarHBondContact O-N 2.81Å; G214-K217 PolarHBondContact O-N 2.75Å
215	S	52.5	Low	60.3	Low	109 Å²	109	129.1 Å²	129.1	76%	0.762	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-56.7	-26	-172.9	-177.7	0	0	0	0	115.1	K217	S215-K217 VanDerWaalsContact C-N 3.34Å; S215-K217 PolarHBondContact O-N 3.44Å
216	H	56.6	Low	63.3	Low	185 Å²	185	126.2 Å²	126.2	86%	0.856	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-78.7	-0.8	-177.5	-81.2	-68.7	0	0	0	116.4	G214	G214-H216 PolarHBondContact O-N 2.81Å
217	K	74.9	Confident	66.4	Low	197 Å²	197	118.1 Å²	118.1	86%	0.857	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-93	-2.2	-176.4	-91	-174.1	176.8	-179.8	0	116.7	G214 S215	G214-K217 PolarHBondContact O-N 2.75Å; S215-K217 VanDerWaalsContact C-N 3.34Å; S215-K217 PolarHBondContact O-N 3.44Å
218	M	83.9	Confident	69.5	Low	77 Å²	77	114.2 Å²	114.2	38%	0.379	60%	0.603	S	S	.	*			trans	-76.4	138.3	-177.6	-59.7	-174.7	89.1	0	0	112.3	L222 R223 L226	M218-L222 HydrophobicContact CE-CD2 3.32Å; M218-L222 HydrophobicContact CE-CG 3.69Å; M218-R223 HydrophobicContact CB-CG 4.03Å; M218-R223 PolarHBondContact O-NH1 3.21Å; M218-L226 HydrophobicContact CE-CD1 3.4Å; M218-L226 HydrophobicContact SD-CD1 4.22Å
219	K	92.5	Very high	72.6	Confident	154 Å²	154	107.4 Å²	107.4	67%	0.67	57%	0.571	S	S	*	*			trans	-65.8	144.8	171.1	-69.1	178.1	178.3	176.7	0	109.9	H221 L222 R223	K219-H221 PolarHBondContact O-N 3.08Å; K219-L222 WeakPolarHBondContact O-CB 3.34Å; K219-L222 PolarHBondContact O-N 3.11Å; K219-R223 PolarHBondContact O-N 3.27Å
220	A	93.2	Very high	75.6	Confident	46 Å²	46	105.9 Å²	105.9	38%	0.38	55%	0.551	S	S	.	*	H	α-helix	trans	-58.1	-33.3	-176.1	0	0	0	0	0	113.9	L222 R223 R224	A220-L222 VanDerWaalsContact C-N 3.32Å; A220-L222 PolarHBondContact O-N 3.5Å; A220-R223 PolarHBondContact O-N 3.14Å; A220-R224 WeakPolarHBondContact O-CG 3.13Å; A220-R224 PolarHBondContact O-N 3.1Å; A220-R224 VanDerWaalsContact O-N 3.13Å
221	H	92.6	Very high	78.8	Confident	123 Å²	123	106.5 Å²	106.5	57%	0.569	54%	0.543	S	S	*	.	H	α-helix	trans	-64.3	-38	176.3	77.1	-96.6	0	0	0	112	K219 R224 W225	K219-H221 PolarHBondContact O-N 3.08Å; H221-R224 PolarHBondContact O-N 2.79Å; H221-W225 PolarHBondContact O-N 2.98Å
222	L	93.5	Very high	81.8	Confident	56 Å²	56	101.4 Å²	101.4	29%	0.293	51%	0.507	S	S	.	.	H	α-helix	trans	-69.4	-41.9	-179.3	-173.9	62	0	0	0	110.5	M218 K219 A220 R224 W225 L226	M218-L222 HydrophobicContact CE-CD2 3.32Å; M218-L222 HydrophobicContact CE-CG 3.69Å; K219-L222 WeakPolarHBondContact O-CB 3.34Å; K219-L222 PolarHBondContact O-N 3.11Å; A220-L222 VanDerWaalsContact C-N 3.32Å; A220-L222 PolarHBondContact O-N 3.5Å; L222-R224 PolarHBondContact O-N 3.42Å; L222-W225 PolarHBondContact O-N 3.05Å; L222-L226 WeakPolarHBondContact O-CG 3.4Å; L222-L226 PolarHBondContact O-N 3.08Å
223	R	93.9	Very high	84.3	Confident	125 Å²	125	99.7 Å²	99.7	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-58.2	-45	172.5	-71.6	-164.9	-68.8	-90	-4.4	112.5	M218 K219 A220 W225 L226 A227	M218-R223 HydrophobicContact CB-CG 4.03Å; M218-R223 PolarHBondContact O-NH1 3.21Å; K219-R223 PolarHBondContact O-N 3.27Å; A220-R223 PolarHBondContact O-N 3.14Å; R223-W225 VanDerWaalsContact C-N 3.3Å; R223-W225 PolarHBondContact O-N 2.83Å; R223-L226 PolarHBondContact O-N 3.21Å; R223-A227 WeakPolarHBondContact O-CB 3.39Å; R223-A227 PolarHBondContact O-N 2.9Å
224	R	95.4	Very high	87.4	Confident	195 Å²	195	94.9 Å²	94.9	74%	0.736	47%	0.468	S	S	*	.	H	α-helix	trans	-63.6	-36.2	177.7	-70.9	176.9	-170	161.9	2.9	112.1	A220 H221 L222 K228	A220-R224 WeakPolarHBondContact O-CG 3.13Å; A220-R224 PolarHBondContact O-N 3.1Å; A220-R224 VanDerWaalsContact O-N 3.13Å; H221-R224 PolarHBondContact O-N 2.79Å; L222-R224 PolarHBondContact O-N 3.42Å; R224-K228 WeakPolarHBondContact O-CB 3.44Å; R224-K228 PolarHBondContact O-N 3.22Å
225	W	94.6	Very high	90	Very high	29 Å²	29	95.9 Å²	95.9	11%	0.11	45%	0.454	C	S	.	.	H	α-helix	trans	-70.6	-43.6	177.9	179.1	95.1	0	0	0	112	F198 H221 L222 R223 A227 K228 Q229	F198-W225 AromaticContact CD1-CE2 3.97Å; F198-W225 HydrophobicContact CD1-CH2 4.14Å; F198-W225 AromaticContact CD1-CZ2 3.56Å; F198-W225 HydrophobicContact CD1-CZ2 3.56Å; F198-W225 AromaticContact CE1-CD2 3.73Å; F198-W225 HydrophobicContact CE1-CD2 3.73Å; F198-W225 AromaticContact CE1-CE2 3.11Å; F198-W225 HydrophobicContact CE1-CE3 4.12Å; F198-W225 HydrophobicContact CE1-CG 4.42Å; F198-W225 AromaticContact CE1-CH2 3.4Å; F198-W225 HydrophobicContact CE1-CH2 3.4Å; F198-W225 AromaticContact CE1-CZ2 2.95Å; F198-W225 HydrophobicContact CE1-CZ2 2.95Å; F198-W225 AromaticContact CE1-CZ3 3.97Å; F198-W225 HydrophobicContact CE1-CZ3 3.97Å; F198-W225 AromaticContact CE1-NE1 3.52Å; F198-W225 AromaticContact CZ-CD1 3.83Å; F198-W225 AromaticContact CZ-CD2 3.69Å; F198-W225 HydrophobicContact CZ-CD2 3.69Å; F198-W225 AromaticContact CZ-CE2 3.43Å; F198-W225 VanDerWaalsContact CZ-CE2 3.43Å; F198-W225 HydrophobicContact CZ-CE3 4.26Å; F198-W225 AromaticContact CZ-CG 3.96Å; F198-W225 HydrophobicContact CZ-CG 3.96Å; F198-W225 HydrophobicContact CZ-CH2 4.31Å; F198-W225 AromaticContact CZ-CZ2 3.8Å; F198-W225 HydrophobicContact CZ-CZ2 3.8Å; F198-W225 AromaticContact CZ-NE1 3.51Å; H221-W225 PolarHBondContact O-N 2.98Å; L222-W225 PolarHBondContact O-N 3.05Å; R223-W225 VanDerWaalsContact C-N 3.3Å; R223-W225 PolarHBondContact O-N 2.83Å; W225-A227 PolarHBondContact O-N 3.04Å; W225-K228 WeakPolarHBondContact O-CA 3.46Å; W225-K228 WeakPolarHBondContact O-CB 3.48Å; W225-K228 PolarHBondContact O-N 2.91Å; W225-K228 VanDerWaalsContact O-N 3.08Å; W225-Q229 HydrophobicContact CD2-CG 4.04Å; W225-Q229 HydrophobicContact CE3-CG 4.15Å; W225-Q229 HydrophobicContact CH2-CG 3.85Å; W225-Q229 HydrophobicContact CZ2-CG 3.66Å; W225-Q229 VanDerWaalsContact CZ3-CD 3.42Å; W225-Q229 HydrophobicContact CZ3-CG 4.07Å; W225-Q229 PolarHBondContact O-N 2.6Å
226	L	95.6	Very high	92.1	Very high	66 Å²	66	91.6 Å²	91.6	35%	0.346	42%	0.424	S	S	.	.	H	α-helix	trans	-60.4	-46.9	175.5	-73.3	171.5	0	0	0	111.6	M218 L222 R223 K228 Q229 E230	M218-L226 HydrophobicContact CE-CD1 3.4Å; M218-L226 HydrophobicContact SD-CD1 4.22Å; L222-L226 WeakPolarHBondContact O-CG 3.4Å; L222-L226 PolarHBondContact O-N 3.08Å; R223-L226 PolarHBondContact O-N 3.21Å; L226-K228 PolarHBondContact O-N 2.77Å; L226-Q229 PolarHBondContact O-N 3.45Å; L226-Q229 VanDerWaalsContact O-N 3.15Å; L226-E230 PolarHBondContact O-N 3.07Å
227	A	95.8	Very high	94	Very high	64 Å²	64	89.6 Å²	89.6	53%	0.529	42%	0.419	S	S	.	.	H	α-helix	trans	-59.9	-35.3	174.8	0	0	0	0	0	112.1	R223 W225 H231	R223-A227 WeakPolarHBondContact O-CB 3.39Å; R223-A227 PolarHBondContact O-N 2.9Å; W225-A227 PolarHBondContact O-N 3.04Å; A227-H231 WeakPolarHBondContact O-CB 3.28Å; A227-H231 PolarHBondContact O-N 3.36Å
228	K	97	Very high	95	Very high	75 Å²	75	89.2 Å²	89.2	33%	0.326	42%	0.417	S	S	.	.	H	α-helix	trans	-68.5	-41.3	175.9	-175.2	59.5	179.2	177	0	112	R224 W225 L226 H231 L232 Y250	R224-K228 WeakPolarHBondContact O-CB 3.44Å; R224-K228 PolarHBondContact O-N 3.22Å; W225-K228 WeakPolarHBondContact O-CA 3.46Å; W225-K228 WeakPolarHBondContact O-CB 3.48Å; W225-K228 PolarHBondContact O-N 2.91Å; W225-K228 VanDerWaalsContact O-N 3.08Å; L226-K228 PolarHBondContact O-N 2.77Å; K228-H231 PolarHBondContact O-N 2.85Å; K228-L232 WeakPolarHBondContact O-CG 3.28Å; K228-L232 PolarHBondContact O-N 2.85Å; K228-Y250 HydrophobicContact CD-CE2 4.34Å; K228-Y250 HydrophobicContact CG-CD2 4.35Å; K228-Y250 HydrophobicContact CG-CE2 3.98Å
229	Q	96.7	Very high	95.5	Very high	24 Å²	24	89.5 Å²	89.5	11%	0.112	42%	0.417	C	S	.	.	H	α-helix	trans	-63.1	-44.1	174.7	-73	-156	-42.8	0	0	111.9	W225 L226 H231 L232 R233 F243	W225-Q229 HydrophobicContact CD2-CG 4.04Å; W225-Q229 HydrophobicContact CE3-CG 4.15Å; W225-Q229 HydrophobicContact CH2-CG 3.85Å; W225-Q229 HydrophobicContact CZ2-CG 3.66Å; W225-Q229 VanDerWaalsContact CZ3-CD 3.42Å; W225-Q229 HydrophobicContact CZ3-CG 4.07Å; W225-Q229 PolarHBondContact O-N 2.6Å; L226-Q229 PolarHBondContact O-N 3.45Å; L226-Q229 VanDerWaalsContact O-N 3.15Å; Q229-H231 VanDerWaalsContact C-N 3.3Å; Q229-H231 PolarHBondContact O-N 3.13Å; Q229-L232 CarbonylContact O-C 3.49Å; Q229-L232 WeakPolarHBondContact O-CA 3.28Å; Q229-L232 WeakPolarHBondContact O-CB 3.32Å; Q229-L232 PolarHBondContact O-N 3.36Å; Q229-R233 PolarHBondContact O-N 2.83Å; Q229-F243 HydrophobicContact CB-CZ 4.44Å; Q229-F243 WeakPolarHBondContact O-CE2 3.26Å
230	E	96.7	Very high	95.6	Very high	92 Å²	92	89.5 Å²	89.5	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-59.8	-44	177.7	-169.8	54.1	-139.1	0	0	111.2	L226 L232 R233 H234	L226-E230 PolarHBondContact O-N 3.07Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 3.2Å; E230-R233 WeakPolarHBondContact O-CB 3.32Å; E230-R233 PolarHBondContact O-N 3.17Å; E230-R233 VanDerWaalsContact O-N 3.13Å; E230-H234 PolarHBondContact O-N 2.84Å; E230-H234 IonicContact OE1-CD2 3.54Å; E230-H234 PolarHBondContact OE1-CD2 2.89Å; E230-H234 VanDerWaalsContact OE1-CD2 3.27Å; E230-H234 IonicContact OE1-NE2 2.87Å; E230-H234 PolarHBondContact OE1-NE2 2.86Å
231	H	96.8	Very high	95.7	Very high	106 Å²	106	91.8 Å²	91.8	49%	0.491	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-38.6	173.6	-180	79.6	0	0	0	113	A227 K228 Q229 R235	A227-H231 WeakPolarHBondContact O-CB 3.28Å; A227-H231 PolarHBondContact O-N 3.36Å; K228-H231 PolarHBondContact O-N 2.85Å; Q229-H231 VanDerWaalsContact C-N 3.3Å; Q229-H231 PolarHBondContact O-N 3.13Å; H231-R235 WeakPolarHBondContact O-CB 3.3Å; H231-R235 PolarHBondContact O-N 3.22Å
232	L	97.3	Very high	95.9	Very high	8 Å²	8	88.7 Å²	88.7	4%	0.042	42%	0.416	C	S	.	.	H	α-helix	trans	-69.5	-34.3	175.2	-69	173.1	0	0	0	112	K228 Q229 E230 R235 S236 F243 L246 L247 Y250	K228-L232 WeakPolarHBondContact O-CG 3.28Å; K228-L232 PolarHBondContact O-N 2.85Å; Q229-L232 CarbonylContact O-C 3.49Å; Q229-L232 WeakPolarHBondContact O-CA 3.28Å; Q229-L232 WeakPolarHBondContact O-CB 3.32Å; Q229-L232 PolarHBondContact O-N 3.36Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 3.2Å; L232-R235 PolarHBondContact O-N 3.04Å; L232-S236 WeakPolarHBondContact O-CB 3.31Å; L232-S236 PolarHBondContact O-N 2.78Å; L232-F243 HydrophobicContact CB-CD2 4.08Å; L232-F243 HydrophobicContact CB-CE2 3.72Å; L232-L246 HydrophobicContact CD2-CB 4.23Å; L232-L247 HydrophobicContact CD1-CD1 4.02Å; L232-Y250 HydrophobicContact CD1-CG 4.35Å
233	R	97	Very high	96	Very high	81 Å²	81	88.2 Å²	88.2	31%	0.306	41%	0.412	S	S	.	.	H	α-helix	trans	-63.1	-51.8	172.1	-71.7	-176.1	178.6	-109.2	-1.1	110.6	Q229 E230 R235 S236 L237 F243	Q229-R233 PolarHBondContact O-N 2.83Å; E230-R233 WeakPolarHBondContact O-CB 3.32Å; E230-R233 PolarHBondContact O-N 3.17Å; E230-R233 VanDerWaalsContact O-N 3.13Å; R233-R235 VanDerWaalsContact C-N 3.27Å; R233-R235 PolarHBondContact O-N 3.28Å; R233-S236 VanDerWaalsContact O-CB 3.28Å; R233-S236 WeakPolarHBondContact O-CB 3.46Å; R233-S236 PolarHBondContact O-N 3.3Å; R233-L237 WeakPolarHBondContact O-CD1 3.4Å; R233-L237 PolarHBondContact O-N 2.75Å; R233-L237 VanDerWaalsContact O-N 3.08Å; R233-F243 HydrophobicContact CB-CD2 4.3Å; R233-F243 HydrophobicContact CB-CE2 4.39Å; R233-F243 HydrophobicContact CG-CD2 3.61Å; R233-F243 HydrophobicContact CG-CE2 3.47Å; R233-F243 VanDerWaalsContact CG-CE2 3.47Å; R233-F243 HydrophobicContact CG-CG 4.33Å; R233-F243 HydrophobicContact CG-CZ 4.11Å
234	H	96.7	Very high	96.1	Very high	123 Å²	123	89.3 Å²	89.3	57%	0.569	42%	0.422	S	S	*	.	H	α-helix	trans	-56.4	-41.5	176.1	-79	-158.8	0	0	0	112.5	E230 L237 K238	E230-H234 PolarHBondContact O-N 2.84Å; E230-H234 IonicContact OE1-CD2 3.54Å; E230-H234 PolarHBondContact OE1-CD2 2.89Å; E230-H234 VanDerWaalsContact OE1-CD2 3.27Å; E230-H234 IonicContact OE1-NE2 2.87Å; E230-H234 PolarHBondContact OE1-NE2 2.86Å; H234-L237 PolarHBondContact O-N 3.07Å; H234-K238 WeakPolarHBondContact O-CB 3.25Å; H234-K238 PolarHBondContact O-N 3.16Å
235	R	96.1	Very high	96.2	Very high	79 Å²	79	84.2 Å²	84.2	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-40	175.4	-175.2	-178.8	175.4	156.2	15.7	112.4	H231 L232 R233 K238 E239 L246	H231-R235 WeakPolarHBondContact O-CB 3.3Å; H231-R235 PolarHBondContact O-N 3.22Å; L232-R235 PolarHBondContact O-N 3.04Å; R233-R235 VanDerWaalsContact C-N 3.27Å; R233-R235 PolarHBondContact O-N 3.28Å; R235-K238 PolarHBondContact O-N 3.21Å; R235-E239 VanDerWaalsContact CG-CD 3.49Å; R235-E239 HydrophobicContact CG-CG 4.08Å; R235-E239 WeakPolarHBondContact CG-OE1 3.29Å; R235-E239 IonicContact CZ-OE1 3.68Å; R235-E239 VanDerWaalsContact CZ-OE1 3.26Å; R235-E239 IonicContact CZ-OE2 2.6Å; R235-E239 IonicContact NE-OE1 3.45Å; R235-E239 PolarHBondContact NE-OE1 3.15Å; R235-E239 IonicContact NE-OE2 3.63Å; R235-E239 PolarHBondContact NE-OE2 2.94Å; R235-E239 IonicContact NH2-OE1 2.95Å; R235-E239 PolarHBondContact NH2-OE1 3.05Å; R235-E239 IonicContact NH2-OE2 3.3Å; R235-E239 PolarHBondContact NH2-OE2 3.31Å; R235-E239 WeakPolarHBondContact O-CB 3.4Å; R235-E239 PolarHBondContact O-N 3.31Å; R235-L246 HydrophobicContact CB-CD1 4.1Å; R235-L246 HydrophobicContact CG-CD1 3.9Å
236	S	97.2	Very high	96.2	Very high	19 Å²	19	83 Å²	83	13%	0.133	40%	0.404	C	S	.	.	H	α-helix	trans	-57.2	-48.4	176	169.5	0	0	0	0	111.4	L232 R233 N240 R241 F243	L232-S236 WeakPolarHBondContact O-CB 3.31Å; L232-S236 PolarHBondContact O-N 2.78Å; R233-S236 VanDerWaalsContact O-CB 3.28Å; R233-S236 WeakPolarHBondContact O-CB 3.46Å; R233-S236 PolarHBondContact O-N 3.3Å; S236-N240 WeakPolarHBondContact O-CA 3.33Å; S236-N240 PolarHBondContact O-N 3.03Å; S236-N240 VanDerWaalsContact O-N 3.07Å; S236-R241 WeakPolarHBondContact CA-O 3.36Å; S236-R241 VanDerWaalsContact CB-O 3.28Å; S236-R241 WeakPolarHBondContact CB-O 3.08Å; S236-R241 PolarHBondContact O-N 3Å; S236-R241 VanDerWaalsContact O-N 3.11Å; S236-R241 PolarHBondContact OG-O 3.26Å; S236-F243 PolarHBondContact OG-N 3.23Å; S236-F243 VanDerWaalsContact OG-N 3.15Å
237	L	96.3	Very high	96.3	Very high	143 Å²	143	81.1 Å²	81.1	75%	0.749	39%	0.394	S	S	*	.	H	α-helix	trans	-64.3	-45.5	175.6	-76.5	91.2	0	0	0	112	R233 H234 N240	R233-L237 WeakPolarHBondContact O-CD1 3.4Å; R233-L237 PolarHBondContact O-N 2.75Å; R233-L237 VanDerWaalsContact O-N 3.08Å; H234-L237 PolarHBondContact O-N 3.07Å; L237-N240 PolarHBondContact O-N 3.45Å
238	K	96.1	Very high	96.4	Very high	189 Å²	189	83 Å²	83	82%	0.822	39%	0.392	S	S	*	.	H	α-helix	trans	-65.6	-40.3	-177	-177.3	179.7	176.6	-179.2	0	113.4	H234 R235	H234-K238 WeakPolarHBondContact O-CB 3.25Å; H234-K238 PolarHBondContact O-N 3.16Å; R235-K238 PolarHBondContact O-N 3.21Å
239	E	94.9	Very high	96.4	Very high	82 Å²	82	81.3 Å²	81.3	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-93.1	-1.2	-177.1	-63.4	-179.9	178.3	0	0	112.7	R235 R241	R235-E239 VanDerWaalsContact CG-CD 3.49Å; R235-E239 HydrophobicContact CG-CG 4.08Å; R235-E239 WeakPolarHBondContact CG-OE1 3.29Å; R235-E239 IonicContact CZ-OE1 3.68Å; R235-E239 VanDerWaalsContact CZ-OE1 3.26Å; R235-E239 IonicContact CZ-OE2 2.6Å; R235-E239 IonicContact NE-OE1 3.45Å; R235-E239 PolarHBondContact NE-OE1 3.15Å; R235-E239 IonicContact NE-OE2 3.63Å; R235-E239 PolarHBondContact NE-OE2 2.94Å; R235-E239 IonicContact NH2-OE1 2.95Å; R235-E239 PolarHBondContact NH2-OE1 3.05Å; R235-E239 IonicContact NH2-OE2 3.3Å; R235-E239 PolarHBondContact NH2-OE2 3.31Å; R235-E239 WeakPolarHBondContact O-CB 3.4Å; R235-E239 PolarHBondContact O-N 3.31Å; E239-R241 HydrophobicContact CB-CB 4.48Å; E239-R241 HydrophobicContact CB-CG 4.01Å; E239-R241 PolarHBondContact O-N 2.84Å
240	N	95	Very high	96.4	Very high	155 Å²	155	81.8 Å²	81.8	83%	0.829	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	40	-172	-162.1	46.2	0	0	0	112.7	S236 L237	S236-N240 WeakPolarHBondContact O-CA 3.33Å; S236-N240 PolarHBondContact O-N 3.03Å; S236-N240 VanDerWaalsContact O-N 3.07Å; L237-N240 PolarHBondContact O-N 3.45Å
241	R	95	Very high	96.4	Very high	94 Å²	94	81 Å²	81	36%	0.355	38%	0.38	S	S	.	.			trans	-111.5	148.2	177.8	-64.8	-170.8	72.2	-158.3	-3	109.8	S236 E239 F243 L246 E249	S236-R241 WeakPolarHBondContact CA-O 3.36Å; S236-R241 VanDerWaalsContact CB-O 3.28Å; S236-R241 WeakPolarHBondContact CB-O 3.08Å; S236-R241 PolarHBondContact O-N 3Å; S236-R241 VanDerWaalsContact O-N 3.11Å; S236-R241 PolarHBondContact OG-O 3.26Å; E239-R241 HydrophobicContact CB-CB 4.48Å; E239-R241 HydrophobicContact CB-CG 4.01Å; E239-R241 PolarHBondContact O-N 2.84Å; R241-F243 PolarHBondContact O-N 3.03Å; R241-L246 HydrophobicContact CB-CG 4.41Å; R241-E249 IonicContact CZ-OE1 2.9Å; R241-E249 IonicContact NH1-OE1 3.79Å; R241-E249 PolarHBondContact NH1-OE1 2.93Å; R241-E249 IonicContact NH1-OE2 3.93Å; R241-E249 IonicContact NH2-OE1 3.04Å; R241-E249 PolarHBondContact NH2-OE1 3.46Å
242	S	95.4	Very high	96.4	Very high	58 Å²	58	80.5 Å²	80.5	41%	0.406	38%	0.378	S	S	.	.			trans	-58.8	131	175.4	173.2	0	0	0	0	111.5	E244 I245 L246	S242-E244 PolarHBondContact O-N 3.48Å; S242-E244 PolarHBondContact OG-N 3.01Å; S242-I245 PolarHBondContact O-N 3.45Å; S242-L246 PolarHBondContact O-N 3.33Å; S242-L246 VanDerWaalsContact O-N 3.16Å
243	F	96.5	Very high	96.4	Very high	46 Å²	46	86.2 Å²	86.2	20%	0.202	40%	0.399	C	S	.	.	H	α-helix	trans	-55.5	-37.6	173.5	171	-104.7	0	0	0	111.8	Q229 L232 R233 S236 R241 L246 L247	Q229-F243 HydrophobicContact CB-CZ 4.44Å; Q229-F243 WeakPolarHBondContact O-CE2 3.26Å; L232-F243 HydrophobicContact CB-CD2 4.08Å; L232-F243 HydrophobicContact CB-CE2 3.72Å; R233-F243 HydrophobicContact CB-CD2 4.3Å; R233-F243 HydrophobicContact CB-CE2 4.39Å; R233-F243 HydrophobicContact CG-CD2 3.61Å; R233-F243 HydrophobicContact CG-CE2 3.47Å; R233-F243 VanDerWaalsContact CG-CE2 3.47Å; R233-F243 HydrophobicContact CG-CG 4.33Å; R233-F243 HydrophobicContact CG-CZ 4.11Å; S236-F243 PolarHBondContact OG-N 3.23Å; S236-F243 VanDerWaalsContact OG-N 3.15Å; R241-F243 PolarHBondContact O-N 3.03Å; F243-L246 PolarHBondContact O-N 2.89Å; F243-L247 HydrophobicContact CE1-CD2 4.22Å; F243-L247 HydrophobicContact CZ-CD2 4.45Å; F243-L247 WeakPolarHBondContact O-CB 3.36Å; F243-L247 PolarHBondContact O-N 3.47Å
244	E	96.4	Very high	96.3	Very high	148 Å²	148	87.6 Å²	87.6	69%	0.692	40%	0.404	S	S	*	.	H	α-helix	trans	-64.3	-42.8	179.3	-172.9	166.9	-165.9	0	0	111.8	S242 L246 L247 Q248	S242-E244 PolarHBondContact O-N 3.48Å; S242-E244 PolarHBondContact OG-N 3.01Å; E244-L246 PolarHBondContact O-N 3.47Å; E244-L247 PolarHBondContact O-N 3.01Å; E244-Q248 WeakPolarHBondContact O-CB 3.34Å; E244-Q248 PolarHBondContact O-N 3.14Å
245	I	96.2	Very high	96.2	Very high	87 Å²	87	86.5 Å²	86.5	45%	0.446	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-44.9	174.9	-64.9	175.3	0	0	0	110.6	S242 L247 Q248 E249	S242-I245 PolarHBondContact O-N 3.45Å; I245-L247 VanDerWaalsContact C-N 3.31Å; I245-L247 PolarHBondContact O-N 3.21Å; I245-Q248 PolarHBondContact O-N 2.73Å; I245-E249 WeakPolarHBondContact O-CG 3.25Å; I245-E249 PolarHBondContact O-N 3.23Å
246	L	96.5	Very high	96.1	Very high	4 Å²	4	89.8 Å²	89.8	2%	0.021	42%	0.415	C	S	.	.	H	α-helix	trans	-65.8	-33.8	178.5	-67	-179.2	0	0	0	112.6	L232 R235 R241 S242 F243 E244 Y250	L232-L246 HydrophobicContact CD2-CB 4.23Å; R235-L246 HydrophobicContact CB-CD1 4.1Å; R235-L246 HydrophobicContact CG-CD1 3.9Å; R241-L246 HydrophobicContact CB-CG 4.41Å; S242-L246 PolarHBondContact O-N 3.33Å; S242-L246 VanDerWaalsContact O-N 3.16Å; F243-L246 PolarHBondContact O-N 2.89Å; E244-L246 PolarHBondContact O-N 3.47Å; L246-Y250 PolarHBondContact O-N 3.46Å; L246-Y250 VanDerWaalsContact O-N 3.1Å
247	L	97.4	Very high	96.1	Very high	26 Å²	26	94.9 Å²	94.9	14%	0.136	43%	0.432	C	S	.	.	H	α-helix	trans	-69	-41.9	175	-175.9	61.9	0	0	0	111.2	L232 F243 E244 I245 Y250 Y251	L232-L247 HydrophobicContact CD1-CD1 4.02Å; F243-L247 HydrophobicContact CE1-CD2 4.22Å; F243-L247 HydrophobicContact CZ-CD2 4.45Å; F243-L247 WeakPolarHBondContact O-CB 3.36Å; F243-L247 PolarHBondContact O-N 3.47Å; E244-L247 PolarHBondContact O-N 3.01Å; I245-L247 VanDerWaalsContact C-N 3.31Å; I245-L247 PolarHBondContact O-N 3.21Å; L247-Y250 HydrophobicContact CD1-CD1 4.39Å; L247-Y250 WeakPolarHBondContact O-CB 3.34Å; L247-Y250 PolarHBondContact O-N 3.11Å; L247-Y251 HydrophobicContact CD1-CD2 4.44Å; L247-Y251 HydrophobicContact CD1-CE2 3.87Å; L247-Y251 HydrophobicContact CD2-CE2 4.05Å; L247-Y251 HydrophobicContact CG-CD2 4.08Å; L247-Y251 HydrophobicContact CG-CE2 3.59Å; L247-Y251 VanDerWaalsContact O-CD2 3.31Å; L247-Y251 WeakPolarHBondContact O-CD2 3.32Å; L247-Y251 PolarHBondContact O-N 3.04Å
248	Q	97.1	Very high	95.9	Very high	104 Å²	104	92.4 Å²	92.4	49%	0.486	42%	0.419	S	S	.	.	H	α-helix	trans	-61.6	-47.7	174.4	-174.1	60.9	18.5	0	0	111.8	E244 I245 Y250 Y251 E252	E244-Q248 WeakPolarHBondContact O-CB 3.34Å; E244-Q248 PolarHBondContact O-N 3.14Å; I245-Q248 PolarHBondContact O-N 2.73Å; Q248-Y250 PolarHBondContact O-N 2.9Å; Q248-Y251 PolarHBondContact O-N 2.82Å; Q248-E252 PolarHBondContact O-N 2.92Å
249	E	96.2	Very high	95.7	Very high	39 Å²	39	87.8 Å²	87.8	18%	0.182	40%	0.403	C	S	.	.	H	α-helix	trans	-57.3	-37.4	173.9	-75.2	-175.4	-158.6	0	0	112.1	R241 I245 R253	R241-E249 IonicContact CZ-OE1 2.9Å; R241-E249 IonicContact NH1-OE1 3.79Å; R241-E249 PolarHBondContact NH1-OE1 2.93Å; R241-E249 IonicContact NH1-OE2 3.93Å; R241-E249 IonicContact NH2-OE1 3.04Å; R241-E249 PolarHBondContact NH2-OE1 3.46Å; I245-E249 WeakPolarHBondContact O-CG 3.25Å; I245-E249 PolarHBondContact O-N 3.23Å; E249-R253 WeakPolarHBondContact O-CB 3.42Å; E249-R253 VanDerWaalsContact O-CG 3.24Å; E249-R253 WeakPolarHBondContact O-CG 3.46Å; E249-R253 PolarHBondContact O-N 3.39Å; E249-R253 IonicContact OE2-CZ 2.82Å; E249-R253 IonicContact OE2-NH2 3.26Å; E249-R253 PolarHBondContact OE2-NH2 2.84Å
250	Y	96.8	Very high	95.4	Very high	35 Å²	35	92.4 Å²	92.4	14%	0.137	42%	0.422	C	S	.	.	H	α-helix	trans	-66	-43.1	175.9	166.1	-97.7	0	0	0	111.7	K228 L232 L246 L247 Q248 R253 R254	K228-Y250 HydrophobicContact CD-CE2 4.34Å; K228-Y250 HydrophobicContact CG-CD2 4.35Å; K228-Y250 HydrophobicContact CG-CE2 3.98Å; L232-Y250 HydrophobicContact CD1-CG 4.35Å; L246-Y250 PolarHBondContact O-N 3.46Å; L246-Y250 VanDerWaalsContact O-N 3.1Å; L247-Y250 HydrophobicContact CD1-CD1 4.39Å; L247-Y250 WeakPolarHBondContact O-CB 3.34Å; L247-Y250 PolarHBondContact O-N 3.11Å; Q248-Y250 PolarHBondContact O-N 2.9Å; Y250-R253 PolarHBondContact O-N 2.87Å; Y250-R254 VanDerWaalsContact O-CB 3.29Å; Y250-R254 WeakPolarHBondContact O-CB 3.5Å; Y250-R254 PolarHBondContact O-N 3.48Å; Y250-R254 PolarHBondContact OH-NH1 3.44Å
251	Y	97.3	Very high	95.1	Very high	76 Å²	76	91 Å²	91	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.4	-74.3	-52.3	0	0	0	111.5	L247 Q248 R253 R254 Q255	L247-Y251 HydrophobicContact CD1-CD2 4.44Å; L247-Y251 HydrophobicContact CD1-CE2 3.87Å; L247-Y251 HydrophobicContact CD2-CE2 4.05Å; L247-Y251 HydrophobicContact CG-CD2 4.08Å; L247-Y251 HydrophobicContact CG-CE2 3.59Å; L247-Y251 VanDerWaalsContact O-CD2 3.31Å; L247-Y251 WeakPolarHBondContact O-CD2 3.32Å; L247-Y251 PolarHBondContact O-N 3.04Å; Q248-Y251 PolarHBondContact O-N 2.82Å; Y251-R253 PolarHBondContact O-N 2.89Å; Y251-R254 WeakPolarHBondContact O-CB 3.37Å; Y251-R254 PolarHBondContact O-N 3.45Å; Y251-R254 VanDerWaalsContact O-N 3.15Å; Y251-Q255 WeakPolarHBondContact O-CB 3.26Å; Y251-Q255 PolarHBondContact O-N 3.46Å
252	E	97.1	Very high	94.7	Very high	94 Å²	94	92.7 Å²	92.7	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-45.9	175	-70.3	175	-169.6	0	0	112.5	Q248 R254 Q255 K256	Q248-E252 PolarHBondContact O-N 2.92Å; E252-R254 VanDerWaalsContact C-N 3.27Å; E252-R254 PolarHBondContact O-N 3.21Å; E252-Q255 PolarHBondContact O-N 3.17Å; E252-K256 WeakPolarHBondContact O-CG 3.34Å; E252-K256 PolarHBondContact O-N 3.25Å
253	R	96.3	Very high	94.2	Very high	128 Å²	128	94.1 Å²	94.1	48%	0.483	43%	0.432	S	S	.	.	H	α-helix	trans	-64.5	-33.5	175.5	-71.6	177.8	-146.6	-161.7	6.3	112.1	E249 Y250 Y251 R257	E249-R253 WeakPolarHBondContact O-CB 3.42Å; E249-R253 VanDerWaalsContact O-CG 3.24Å; E249-R253 WeakPolarHBondContact O-CG 3.46Å; E249-R253 PolarHBondContact O-N 3.39Å; E249-R253 IonicContact OE2-CZ 2.82Å; E249-R253 IonicContact OE2-NH2 3.26Å; E249-R253 PolarHBondContact OE2-NH2 2.84Å; Y250-R253 PolarHBondContact O-N 2.87Å; Y251-R253 PolarHBondContact O-N 2.89Å; R253-R257 WeakPolarHBondContact O-CG 3.46Å; R253-R257 PolarHBondContact O-N 3.07Å; R253-R257 PolarHBondContact O-NE 3.18Å
254	R	95.4	Very high	93.8	Very high	111 Å²	111	97.7 Å²	97.7	42%	0.419	45%	0.448	S	S	.	.	H	α-helix	trans	-68.7	-46.2	175.3	-179.1	-179.4	178.7	109.4	-1.8	110.1	Y250 Y251 E252 R257 L258	Y250-R254 VanDerWaalsContact O-CB 3.29Å; Y250-R254 WeakPolarHBondContact O-CB 3.5Å; Y250-R254 PolarHBondContact O-N 3.48Å; Y250-R254 PolarHBondContact OH-NH1 3.44Å; Y251-R254 WeakPolarHBondContact O-CB 3.37Å; Y251-R254 PolarHBondContact O-N 3.45Å; Y251-R254 VanDerWaalsContact O-N 3.15Å; E252-R254 VanDerWaalsContact C-N 3.27Å; E252-R254 PolarHBondContact O-N 3.21Å; R254-R257 WeakPolarHBondContact O-CB 3.5Å; R254-R257 PolarHBondContact O-N 3.41Å; R254-R257 VanDerWaalsContact O-N 3.13Å; R254-L258 HydrophobicContact CG-CD1 4.18Å; R254-L258 HydrophobicContact CG-CG 4.49Å; R254-L258 WeakPolarHBondContact O-CG 3.33Å; R254-L258 PolarHBondContact O-N 2.89Å
255	Q	94.6	Very high	93.3	Very high	100 Å²	100	95.5 Å²	95.5	47%	0.467	44%	0.438	S	S	.	.	H	α-helix	trans	-59.5	-49.8	177.8	-167.8	56.9	41.3	0	0	110.6	Y251 E252 R257 L258 D259	Y251-Q255 WeakPolarHBondContact O-CB 3.26Å; Y251-Q255 PolarHBondContact O-N 3.46Å; E252-Q255 PolarHBondContact O-N 3.17Å; Q255-R257 PolarHBondContact O-N 3.36Å; Q255-R257 VanDerWaalsContact O-N 3.12Å; Q255-L258 CarbonylContact O-C 3.56Å; Q255-L258 WeakPolarHBondContact O-CA 3.46Å; Q255-L258 WeakPolarHBondContact O-CB 3.47Å; Q255-L258 PolarHBondContact O-N 2.88Å; Q255-D259 PolarHBondContact NE2-OD1 3.16Å; Q255-D259 PolarHBondContact O-N 3.12Å
256	K	95.1	Very high	92.9	Very high	147 Å²	147	92 Å²	92	64%	0.639	42%	0.419	S	S	*	.	H	α-helix	trans	-54.2	-36.5	174	-72.2	175.1	-178.9	175.5	0	113.6	E252 K260	E252-K256 WeakPolarHBondContact O-CG 3.34Å; E252-K256 PolarHBondContact O-N 3.25Å; K256-K260 WeakPolarHBondContact O-CB 3.45Å; K256-K260 PolarHBondContact O-N 3.41Å
257	R	95.7	Very high	92.5	Very high	126 Å²	126	94.3 Å²	94.3	48%	0.475	43%	0.43	S	S	.	.	H	α-helix	trans	-73.2	-37.9	175.4	-76	-176.6	-62.4	121.2	-3.5	112.6	R253 R254 Q255 N261	R253-R257 WeakPolarHBondContact O-CG 3.46Å; R253-R257 PolarHBondContact O-N 3.07Å; R253-R257 PolarHBondContact O-NE 3.18Å; R254-R257 WeakPolarHBondContact O-CB 3.5Å; R254-R257 PolarHBondContact O-N 3.41Å; R254-R257 VanDerWaalsContact O-N 3.13Å; Q255-R257 PolarHBondContact O-N 3.36Å; Q255-R257 VanDerWaalsContact O-N 3.12Å; R257-N261 VanDerWaalsContact O-CB 3.27Å; R257-N261 WeakPolarHBondContact O-CB 3.36Å; R257-N261 VanDerWaalsContact O-CG 3.3Å; R257-N261 PolarHBondContact O-N 3.33Å; R257-N261 PolarHBondContact O-ND2 3.49Å
258	L	93.5	Very high	92.2	Very high	91 Å²	91	96.3 Å²	96.3	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-65.7	-44.3	175.2	-70.6	172	0	0	0	110.3	R254 Q255 N261 K262	R254-L258 HydrophobicContact CG-CD1 4.18Å; R254-L258 HydrophobicContact CG-CG 4.49Å; R254-L258 WeakPolarHBondContact O-CG 3.33Å; R254-L258 PolarHBondContact O-N 2.89Å; Q255-L258 CarbonylContact O-C 3.56Å; Q255-L258 WeakPolarHBondContact O-CA 3.46Å; Q255-L258 WeakPolarHBondContact O-CB 3.47Å; Q255-L258 PolarHBondContact O-N 2.88Å; L258-N261 CarbonylContact O-C 3.54Å; L258-N261 PolarHBondContact O-N 3.24Å; L258-K262 WeakPolarHBondContact O-CA 2.99Å; L258-K262 PolarHBondContact O-N 3.31Å
259	D	90.8	Very high	91.9	Very high	92 Å²	92	92.9 Å²	92.9	49%	0.492	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-44.9	176.4	-57.8	-27	0	0	0	111	Q255 N261 K262	Q255-D259 PolarHBondContact NE2-OD1 3.16Å; Q255-D259 PolarHBondContact O-N 3.12Å; D259-N261 VanDerWaalsContact C-N 3.32Å; D259-N261 PolarHBondContact O-N 3.18Å; D259-K262 VanDerWaalsContact O-CB 3.27Å; D259-K262 WeakPolarHBondContact O-CB 3.5Å; D259-K262 PolarHBondContact O-N 3.4Å
260	K	88.7	Confident	91.6	Very high	179 Å²	179	91.4 Å²	91.4	78%	0.778	42%	0.418	S	S	*	.	H	α-helix	trans	-62.5	-36.5	176	-179.3	176.2	178.5	177.1	0	113.1	K256	K256-K260 WeakPolarHBondContact O-CB 3.45Å; K256-K260 PolarHBondContact O-N 3.41Å
261	N	89.4	Confident	91.3	Very high	125 Å²	125	96.6 Å²	96.6	67%	0.668	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	6.1	-179.4	-66.6	-24.7	0	0	0	112.6	R257 L258 D259	R257-N261 VanDerWaalsContact O-CB 3.27Å; R257-N261 WeakPolarHBondContact O-CB 3.36Å; R257-N261 VanDerWaalsContact O-CG 3.3Å; R257-N261 PolarHBondContact O-N 3.33Å; R257-N261 PolarHBondContact O-ND2 3.49Å; L258-N261 CarbonylContact O-C 3.54Å; L258-N261 PolarHBondContact O-N 3.24Å; D259-N261 VanDerWaalsContact C-N 3.32Å; D259-N261 PolarHBondContact O-N 3.18Å
262	K	86.8	Confident	91.1	Very high	130 Å²	130	95.2 Å²	95.2	57%	0.565	45%	0.445	S	S	*	.	S	Bend	trans	-58.6	129.1	176.8	-171.6	179.4	177.4	-174.9	0	107.4	L258 D259 K264	L258-K262 WeakPolarHBondContact O-CA 2.99Å; L258-K262 PolarHBondContact O-N 3.31Å; D259-K262 VanDerWaalsContact O-CB 3.27Å; D259-K262 WeakPolarHBondContact O-CB 3.5Å; D259-K262 PolarHBondContact O-N 3.4Å; K262-K264 PolarHBondContact O-N 3.02Å
263	P	84.6	Confident	90.9	Very high	89 Å²	89	91.4 Å²	91.4	58%	0.578	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-60.5	131.2	177.5	25.3	-33.2	0	0	0	109	Q265	P263-Q265 PolarHBondContact O-N 3.5Å
264	K	87	Confident	90.8	Very high	121 Å²	121	85.6 Å²	85.6	53%	0.526	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-54.2	130.2	171.5	-70.3	-168.8	176.6	-162.2	0	110.1	K262 D268 F269	K262-K264 PolarHBondContact O-N 3.02Å; K264-D268 VanDerWaalsContact CA-OD2 3.31Å; K264-D268 WeakPolarHBondContact CA-OD2 3.4Å; K264-D268 HydrophobicContact CB-CB 4.09Å; K264-D268 HydrophobicContact CD-CB 4.47Å; K264-D268 HydrophobicContact CG-CB 4.36Å; K264-F269 HydrophobicContact CB-CD2 4.14Å; K264-F269 HydrophobicContact CB-CE2 3.51Å; K264-F269 HydrophobicContact CB-CZ 4.03Å; K264-F269 HydrophobicContact CD-CE2 4.3Å; K264-F269 HydrophobicContact CD-CZ 4.14Å
265	Q	87.5	Confident	90.7	Very high	102 Å²	102	85.3 Å²	85.3	48%	0.477	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-79.5	171.9	172.5	-57.1	-167.3	104.9	0	0	110	P263 E267 D268 F269	P263-Q265 PolarHBondContact O-N 3.5Å; Q265-E267 VanDerWaalsContact C-N 3.32Å; Q265-E267 WeakPolarHBondContact CB-OE2 3.48Å; Q265-D268 PolarHBondContact N-OD2 3.02Å; Q265-D268 WeakPolarHBondContact O-CB 3.27Å; Q265-D268 PolarHBondContact O-N 3.28Å; Q265-F269 VanDerWaalsContact O-CD2 3.25Å; Q265-F269 WeakPolarHBondContact O-CD2 3.47Å
266	I	87.9	Confident	90.7	Very high	12 Å²	12	88.5 Å²	88.5	6%	0.062	43%	0.425	C	S	.	.	H	α-helix	trans	-66.3	-38.4	-177.5	-168.4	172.3	0	0	0	111.5	F84 L86 L94 D268 F269 L270 L401 E404	F84-I266 HydrophobicContact CE1-CD1 4.33Å; L86-I266 HydrophobicContact CD1-CB 4.15Å; L86-I266 HydrophobicContact CD2-CB 4.24Å; L86-I266 HydrophobicContact CD2-CD1 4.31Å; L86-I266 HydrophobicContact CD2-CG1 4.25Å; L86-I266 HydrophobicContact CG-CB 4.32Å; L94-I266 HydrophobicContact CD1-CG1 4.42Å; I266-D268 VanDerWaalsContact C-N 3.27Å; I266-D268 PolarHBondContact O-N 3.44Å; I266-F269 PolarHBondContact O-N 3.39Å; I266-L270 HydrophobicContact CD1-CD1 4.44Å; I266-L270 HydrophobicContact CG1-CD1 3.91Å; I266-L270 HydrophobicContact CG1-CG 4.29Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 3.32Å; I266-L401 HydrophobicContact CD1-CB 4.01Å; I266-L401 HydrophobicContact CD1-CD2 3.94Å; I266-L401 WeakPolarHBondContact CD1-O 3.26Å; I266-E404 HydrophobicContact CD1-CB 3.98Å; I266-E404 HydrophobicContact CD1-CG 4.44Å
267	E	87.9	Confident	90.7	Very high	53 Å²	53	85.2 Å²	85.2	25%	0.248	43%	0.433	C	S	.	.	H	α-helix	trans	-56.3	-42.1	174.8	-61.8	67.7	-143.1	0	0	110.8	Q265 F269 L270 Q271	Q265-E267 VanDerWaalsContact C-N 3.32Å; Q265-E267 WeakPolarHBondContact CB-OE2 3.48Å; E267-F269 VanDerWaalsContact C-N 3.26Å; E267-F269 PolarHBondContact O-N 2.82Å; E267-L270 PolarHBondContact O-N 3.3Å; E267-Q271 VanDerWaalsContact O-CB 3.28Å; E267-Q271 WeakPolarHBondContact O-CB 3.34Å; E267-Q271 VanDerWaalsContact O-CG 3.28Å; E267-Q271 WeakPolarHBondContact O-CG 3.38Å; E267-Q271 PolarHBondContact O-N 3.24Å
268	D	89.9	Confident	90.7	Very high	68 Å²	68	84 Å²	84	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-32.8	179.4	-61.1	-40	0	0	0	112.4	K264 Q265 I266 S272	K264-D268 VanDerWaalsContact CA-OD2 3.31Å; K264-D268 WeakPolarHBondContact CA-OD2 3.4Å; K264-D268 HydrophobicContact CB-CB 4.09Å; K264-D268 HydrophobicContact CD-CB 4.47Å; K264-D268 HydrophobicContact CG-CB 4.36Å; Q265-D268 PolarHBondContact N-OD2 3.02Å; Q265-D268 WeakPolarHBondContact O-CB 3.27Å; Q265-D268 PolarHBondContact O-N 3.28Å; I266-D268 VanDerWaalsContact C-N 3.27Å; I266-D268 PolarHBondContact O-N 3.44Å; D268-S272 WeakPolarHBondContact O-CB 3.48Å
269	F	91.2	Very high	90.8	Very high	33 Å²	33	81.1 Å²	81.1	15%	0.145	42%	0.424	C	S	.	.	H	α-helix	trans	-76.5	-45	175.8	-76.1	-84.2	0	0	0	110.9	L86 K91 L94 K264 Q265 I266 E267 S272	L86-F269 HydrophobicContact CD1-CD2 3.78Å; L86-F269 HydrophobicContact CD1-CE2 3.77Å; K91-F269 HydrophobicContact CB-CZ 4.4Å; K91-F269 HydrophobicContact CG-CE2 4.23Å; K91-F269 HydrophobicContact CG-CZ 4.08Å; L94-F269 HydrophobicContact CB-CB 4.12Å; L94-F269 HydrophobicContact CB-CD1 3.94Å; L94-F269 HydrophobicContact CB-CG 4.09Å; L94-F269 HydrophobicContact CD1-CB 3.85Å; L94-F269 HydrophobicContact CD1-CD1 4.46Å; L94-F269 HydrophobicContact CD1-CD2 3.98Å; L94-F269 HydrophobicContact CD1-CG 3.85Å; L94-F269 HydrophobicContact CD2-CB 4.44Å; L94-F269 HydrophobicContact CG-CB 4.36Å; K264-F269 HydrophobicContact CB-CD2 4.14Å; K264-F269 HydrophobicContact CB-CE2 3.51Å; K264-F269 HydrophobicContact CB-CZ 4.03Å; K264-F269 HydrophobicContact CD-CE2 4.3Å; K264-F269 HydrophobicContact CD-CZ 4.14Å; Q265-F269 VanDerWaalsContact O-CD2 3.25Å; Q265-F269 WeakPolarHBondContact O-CD2 3.47Å; I266-F269 PolarHBondContact O-N 3.39Å; E267-F269 VanDerWaalsContact C-N 3.26Å; E267-F269 PolarHBondContact O-N 2.82Å; F269-S272 PolarHBondContact O-N 3.02Å; F269-S272 PolarHBondContact O-OG 3.23Å
270	L	89.9	Confident	91.1	Very high	7 Å²	7	83.5 Å²	83.5	4%	0.037	43%	0.43	C	S	.	.	H	α-helix	trans	-71.3	-37.8	-174.6	-62.6	178.3	0	0	0	112.3	L94 I266 E267 S272 E273 R402 Q405	L94-L270 HydrophobicContact CD2-CD2 3.72Å; I266-L270 HydrophobicContact CD1-CD1 4.44Å; I266-L270 HydrophobicContact CG1-CD1 3.91Å; I266-L270 HydrophobicContact CG1-CG 4.29Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 3.32Å; E267-L270 PolarHBondContact O-N 3.3Å; L270-S272 PolarHBondContact O-N 3.25Å; L270-E273 WeakPolarHBondContact O-CB 3.35Å; L270-E273 PolarHBondContact O-N 3.33Å; L270-R402 HydrophobicContact CD2-CG 4.4Å; L270-Q405 HydrophobicContact CD1-CB 3.62Å; L270-Q405 HydrophobicContact CD1-CG 4.01Å
271	Q	90.6	Very high	91.5	Very high	144 Å²	144	76.9 Å²	76.9	67%	0.673	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-18.6	172.9	-70.3	177.2	-6.3	0	0	113	E267 E273	E267-Q271 VanDerWaalsContact O-CB 3.28Å; E267-Q271 WeakPolarHBondContact O-CB 3.34Å; E267-Q271 VanDerWaalsContact O-CG 3.28Å; E267-Q271 WeakPolarHBondContact O-CG 3.38Å; E267-Q271 PolarHBondContact O-N 3.24Å; Q271-E273 VanDerWaalsContact C-N 3.34Å
272	S	92.5	Very high	91.9	Very high	47 Å²	47	72.3 Å²	72.3	33%	0.329	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.2	176.5	76.8	0	0	0	0	113.6	Y98 D268 F269 L270	Y98-S272 WeakPolarHBondContact CD2-O 3.45Å; Y98-S272 WeakPolarHBondContact CE2-O 3.45Å; D268-S272 WeakPolarHBondContact O-CB 3.48Å; F269-S272 PolarHBondContact O-N 3.02Å; F269-S272 PolarHBondContact O-OG 3.23Å; L270-S272 PolarHBondContact O-N 3.25Å
273	E	93.1	Very high	92.3	Very high	14 Å²	14	67.2 Å²	67.2	7%	0.065	36%	0.355	C	S	.	.	S	Bend	trans	-64.2	138.6	176.9	-65.7	-172.2	-167.5	0	0	110.8	L101 L270 Q271 Y398 R402	L101-E273 HydrophobicContact CD1-CB 4.33Å; L101-E273 HydrophobicContact CD1-CG 4.33Å; L270-E273 WeakPolarHBondContact O-CB 3.35Å; L270-E273 PolarHBondContact O-N 3.33Å; Q271-E273 VanDerWaalsContact C-N 3.34Å; E273-Y398 VanDerWaalsContact CD-OH 3.27Å; E273-Y398 VanDerWaalsContact OE1-CE2 3.3Å; E273-Y398 WeakPolarHBondContact OE1-CE2 3.38Å; E273-Y398 PolarHBondContact OE1-OH 3.05Å; E273-Y398 PolarHBondContact OE2-OH 3.35Å; E273-R402 IonicContact OE1-CZ 3.4Å; E273-R402 IonicContact OE1-NH2 2.72Å; E273-R402 PolarHBondContact OE1-NH2 2.9Å; E273-R402 IonicContact OE2-CZ 2.67Å; E273-R402 IonicContact OE2-NH2 3.42Å; E273-R402 PolarHBondContact OE2-NH2 3.25Å
274	P	94.9	Very high	92.8	Very high	7 Å²	7	66.2 Å²	66.2	5%	0.045	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-67.5	135.7	-176.7	28.6	-35.2	0	0	0	111.4	L101 K102 E278 H281 F282	L101-P274 HydrophobicContact CB-CG 3.57Å; K102-P274 HydrophobicContact CD-CB 4.28Å; P274-E278 HydrophobicContact CB-CB 3.92Å; P274-H281 WeakPolarHBondContact CG-O 3.21Å; P274-F282 WeakPolarHBondContact O-CB 3.37Å
275	N	93.4	Very high	93.2	Very high	105 Å²	105	63.6 Å²	63.6	56%	0.561	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-74.2	173.5	166	-61.1	-57.6	0	0	0	111	G277 E278	N275-G277 PolarHBondContact O-N 3.25Å; N275-G277 VanDerWaalsContact O-N 3.09Å; N275-E278 HydrophobicContact CB-CG 4.28Å; N275-E278 PolarHBondContact N-OE2 2.93Å; N275-E278 PolarHBondContact ND2-OE1 2.91Å; N275-E278 PolarHBondContact ND2-OE2 3.47Å; N275-E278 WeakPolarHBondContact O-CB 3.36Å; N275-E278 PolarHBondContact O-N 3.34Å
276	K	95.2	Very high	93.4	Very high	167 Å²	167	61.9 Å²	61.9	73%	0.726	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	117.7	174.3	-176.9	173.6	-177.5	174.7	0	110.8	F282	K276-F282 HydrophobicContact CB-CD1 4.05Å; K276-F282 HydrophobicContact CB-CD2 4.24Å; K276-F282 HydrophobicContact CB-CE1 3.98Å; K276-F282 HydrophobicContact CB-CE2 4.18Å; K276-F282 HydrophobicContact CB-CG 4.18Å; K276-F282 HydrophobicContact CB-CZ 4.05Å; K276-F282 HydrophobicContact CD-CE1 4.16Å; K276-F282 HydrophobicContact CD-CZ 3.91Å; K276-F282 HydrophobicContact CG-CD1 4.17Å; K276-F282 HydrophobicContact CG-CE1 3.7Å; K276-F282 HydrophobicContact CG-CZ 3.9Å
277	G	94.5	Very high	93.5	Very high	77 Å²	77	64.5 Å²	64.5	79%	0.794	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-6.6	-179.6	0	0	0	0	0	115.7	N275	N275-G277 PolarHBondContact O-N 3.25Å; N275-G277 VanDerWaalsContact O-N 3.09Å
278	E	95.3	Very high	93.7	Very high	102 Å²	102	62.5 Å²	62.5	48%	0.477	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-12.2	-179.1	-64.9	177.6	173.2	0	0	113.8	K102 P274 N275	K102-E278 PolarHBondContact NZ-O 3.42Å; P274-E278 HydrophobicContact CB-CB 3.92Å; N275-E278 HydrophobicContact CB-CG 4.28Å; N275-E278 PolarHBondContact N-OE2 2.93Å; N275-E278 PolarHBondContact ND2-OE1 2.91Å; N275-E278 PolarHBondContact ND2-OE2 3.47Å; N275-E278 WeakPolarHBondContact O-CB 3.36Å; N275-E278 PolarHBondContact O-N 3.34Å
279	G	95.5	Very high	93.7	Very high	29 Å²	29	61.8 Å²	61.8	30%	0.299	32%	0.32	S	S	.	.	S	Bend	trans	-140.8	-178.9	-177.5	0	0	0	0	0	112.2	H281	G279-H281 VanDerWaalsContact C-N 3.28Å
280	K	97.4	Very high	93.7	Very high	143 Å²	143	60.6 Å²	60.6	62%	0.622	32%	0.315	S	S	*	.	S	Bend	trans	-64.7	-36.6	172.3	-176.5	62.6	177.8	-179.5	0	111.6	L101 K102	L101-K280 PolarHBondContact O-N 3.43Å; K102-K280 PolarHBondContact O-N 3.19Å
281	H	97.9	Very high	93.3	Very high	39 Å²	39	63 Å²	63	18%	0.181	33%	0.333	C	S	.	.			trans	-138.8	166.6	175.6	-54.6	-73.6	0	0	0	111.1	F100 L101 P274 G279 L361 D362	F100-H281 AromaticContact CZ-CD2 3.9Å; L101-H281 CarbonylContact C-O 3.56Å; L101-H281 HydrophobicContact CD2-CB 3.91Å; L101-H281 PolarHBondContact O-N 3.31Å; L101-H281 VanDerWaalsContact O-O 3.05Å; P274-H281 WeakPolarHBondContact CG-O 3.21Å; G279-H281 VanDerWaalsContact C-N 3.28Å; H281-L361 HydrophobicContact CB-CD1 3.76Å; H281-D362 WeakPolarHBondContact CA-OD1 3.37Å; H281-D362 WeakPolarHBondContact CB-OD1 3.39Å; H281-D362 IonicContact CE1-OD2 3.86Å; H281-D362 IonicContact CG-OD1 3.38Å; H281-D362 IonicContact CG-OD2 2.72Å; H281-D362 IonicContact ND1-OD1 2.8Å; H281-D362 IonicContact ND1-OD2 3.3Å; H281-D362 PolarHBondContact ND1-OD2 2.89Å
282	F	96.9	Very high	92.4	Very high	30 Å²	30	58.4 Å²	58.4	13%	0.132	32%	0.316	C	S	.	.			trans	-138.2	161.5	167.4	69.8	-79.9	0	0	0	111.2	P274 K276 E284 D362	P274-F282 WeakPolarHBondContact O-CB 3.37Å; K276-F282 HydrophobicContact CB-CD1 4.05Å; K276-F282 HydrophobicContact CB-CD2 4.24Å; K276-F282 HydrophobicContact CB-CE1 3.98Å; K276-F282 HydrophobicContact CB-CE2 4.18Å; K276-F282 HydrophobicContact CB-CG 4.18Å; K276-F282 HydrophobicContact CB-CZ 4.05Å; K276-F282 HydrophobicContact CD-CE1 4.16Å; K276-F282 HydrophobicContact CD-CZ 3.91Å; K276-F282 HydrophobicContact CG-CD1 4.17Å; K276-F282 HydrophobicContact CG-CE1 3.7Å; K276-F282 HydrophobicContact CG-CZ 3.9Å; F282-E284 HydrophobicContact CE2-CB 4.1Å; F282-D362 HydrophobicContact CD1-CB 4.43Å; F282-D362 HydrophobicContact CE1-CB 4.05Å; F282-D362 WeakPolarHBondContact CZ-O 3.29Å; F282-D362 PolarHBondContact N-OD1 3.01Å; F282-D362 PolarHBondContact O-N 3.3Å
283	I	96.2	Very high	91.2	Very high	22 Å²	22	60.2 Å²	60.2	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.9	174.2	-65.3	-63.4	0	0	0	109.4	M97 L101 I285 Y359 W360 L361 I367	M97-I283 HydrophobicContact SD-CG1 4.36Å; L101-I283 HydrophobicContact CD1-CB 4.45Å; L101-I283 HydrophobicContact CD1-CG1 3.73Å; L101-I283 HydrophobicContact CD2-CD1 4.02Å; L101-I283 HydrophobicContact CD2-CG1 3.67Å; L101-I283 HydrophobicContact CG-CG1 4.31Å; I283-I285 HydrophobicContact CG2-CG1 4.06Å; I283-Y359 HydrophobicContact CG2-CD1 4.07Å; I283-W360 WeakPolarHBondContact CA-O 3.47Å; I283-L361 HydrophobicContact CD1-CB 4.44Å; I283-L361 HydrophobicContact CD1-CD1 3.87Å; I283-I367 HydrophobicContact CD1-CD1 3.82Å
284	E	95	Very high	90	Very high	69 Å²	69	65.4 Å²	65.4	32%	0.322	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.4	169.6	-173.2	-171.8	155.4	0	0	109.5	F282 R286 W360 G363	F282-E284 HydrophobicContact CE2-CB 4.1Å; E284-R286 VanDerWaalsContact CD-NH2 3.26Å; E284-R286 HydrophobicContact CG-CG 4.42Å; E284-R286 IonicContact OE1-CZ 3.7Å; E284-R286 VanDerWaalsContact OE1-CZ 3.3Å; E284-R286 IonicContact OE1-NE 2.74Å; E284-R286 PolarHBondContact OE1-NE 3.36Å; E284-R286 IonicContact OE1-NH2 3.54Å; E284-R286 PolarHBondContact OE1-NH2 3.07Å; E284-R286 IonicContact OE2-CZ 3.69Å; E284-R286 IonicContact OE2-NE 2.64Å; E284-R286 IonicContact OE2-NH2 2.66Å; E284-R286 PolarHBondContact OE2-NH2 3.44Å; E284-W360 HydrophobicContact CB-CB 4.19Å; E284-W360 PolarHBondContact N-O 2.96Å; E284-W360 WeakPolarHBondContact O-CB 3.4Å; E284-W360 PolarHBondContact O-N 3.19Å; E284-G363 VanDerWaalsContact OE2-CA 3.26Å; E284-G363 WeakPolarHBondContact OE2-CA 3.39Å
285	I	93.7	Very high	89	Confident	65 Å²	65	68.6 Å²	68.6	33%	0.333	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.2	179.1	-56.9	177.6	0	0	0	108.7	I283 Q357 Q358 Y359	I283-I285 HydrophobicContact CG2-CG1 4.06Å; I285-Q357 HydrophobicContact CG2-CG 3.61Å; I285-Q358 WeakPolarHBondContact CA-O 3.49Å; I285-Y359 HydrophobicContact CD1-CD1 4.22Å; I285-Y359 HydrophobicContact CD1-CE1 3.85Å; I285-Y359 HydrophobicContact CG1-CD1 3.97Å; I285-Y359 HydrophobicContact CG1-CE1 4.07Å
286	R	92	Very high	88.3	Confident	66 Å²	66	71.4 Å²	71.4	25%	0.249	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.6	177.4	-59.5	-175.8	-175.2	149.4	7.9	109.9	E284 I288 Q358 G363	E284-R286 VanDerWaalsContact CD-NH2 3.26Å; E284-R286 HydrophobicContact CG-CG 4.42Å; E284-R286 IonicContact OE1-CZ 3.7Å; E284-R286 VanDerWaalsContact OE1-CZ 3.3Å; E284-R286 IonicContact OE1-NE 2.74Å; E284-R286 PolarHBondContact OE1-NE 3.36Å; E284-R286 IonicContact OE1-NH2 3.54Å; E284-R286 PolarHBondContact OE1-NH2 3.07Å; E284-R286 IonicContact OE2-CZ 3.69Å; E284-R286 IonicContact OE2-NE 2.64Å; E284-R286 IonicContact OE2-NH2 2.66Å; E284-R286 PolarHBondContact OE2-NH2 3.44Å; R286-I288 HydrophobicContact CB-CD1 4.09Å; R286-Q358 HydrophobicContact CB-CB 4.39Å; R286-Q358 PolarHBondContact N-O 2.57Å; R286-Q358 PolarHBondContact O-N 2.72Å; R286-G363 PolarHBondContact NH2-O 3.29Å; R286-G363 VanDerWaalsContact NH2-O 3.11Å
287	L	91.1	Very high	87.8	Confident	68 Å²	68	68 Å²	68	36%	0.356	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	109	179.9	-170.8	68.8	0	0	0	110.2	P350 Y355 Q357 I372 L374	L287-P350 HydrophobicContact CD2-CB 3.86Å; L287-P350 HydrophobicContact CD2-CG 4.23Å; L287-Y355 HydrophobicContact CD1-CD1 3.93Å; L287-Y355 HydrophobicContact CD1-CG 3.87Å; L287-Y355 HydrophobicContact CD2-CD1 3.92Å; L287-Y355 HydrophobicContact CD2-CE1 4.13Å; L287-Y355 HydrophobicContact CD2-CG 4.33Å; L287-Y355 HydrophobicContact CG-CD1 3.52Å; L287-Y355 HydrophobicContact CG-CE1 4.15Å; L287-Y355 HydrophobicContact CG-CG 3.98Å; L287-Q357 HydrophobicContact CD1-CB 4.02Å; L287-Q357 HydrophobicContact CD1-CG 4.47Å; L287-I372 HydrophobicContact CD1-CD1 3.97Å; L287-L374 HydrophobicContact CD2-CD1 4.32Å
288	I	91.1	Very high	87.5	Confident	10 Å²	10	65.6 Å²	65.6	5%	0.051	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.1	-174.5	-47.2	-46.5	0	0	0	110	R286 T290 Y298 I302 Y355 H356 Q358	R286-I288 HydrophobicContact CB-CD1 4.09Å; I288-T290 PolarHBondContact O-N 3.24Å; I288-Y298 HydrophobicContact CG2-CD2 4.26Å; I288-Y298 HydrophobicContact CG2-CE2 4.31Å; I288-I302 HydrophobicContact CG2-CD1 4.25Å; I288-Y355 CarbonylContact O-C 3.6Å; I288-Y355 VanDerWaalsContact O-CA 3.25Å; I288-Y355 WeakPolarHBondContact O-CA 3.2Å; I288-H356 HydrophobicContact CB-CB 4.44Å; I288-H356 PolarHBondContact N-O 3.21Å; I288-H356 PolarHBondContact O-N 2.9Å; I288-Q358 HydrophobicContact CG1-CG 4.32Å
289	R	90.6	Very high	87.3	Confident	53 Å²	53	66 Å²	66	20%	0.2	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.6	178	-165.7	175.4	-167.1	174.9	7.8	110.4	S291 Y298 M351 F352 Y355	R289-S291 PolarHBondContact NE-OG 3.05Å; R289-Y298 WeakPolarHBondContact O-CE2 3.15Å; R289-M351 PolarHBondContact NH1-SD 2.72Å; R289-F352 PolarHBondContact NH2-O 2.95Å; R289-Y355 VanDerWaalsContact CA-CD1 3.42Å; R289-Y355 HydrophobicContact CB-CD1 3.87Å; R289-Y355 HydrophobicContact CB-CE1 3.48Å; R289-Y355 VanDerWaalsContact CB-CE1 3.48Å; R289-Y355 HydrophobicContact CG-CD1 4.28Å; R289-Y355 HydrophobicContact CG-CE1 3.73Å
290	T	91.5	Very high	87.1	Confident	8 Å²	8	66.7 Å²	66.7	5%	0.049	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-24.3	-175.9	69.1	0	0	0	0	113.6	I288 Y298 V334 S354	I288-T290 PolarHBondContact O-N 3.24Å; T290-Y298 PolarHBondContact O-OH 3.14Å; T290-V334 WeakPolarHBondContact CB-O 3.47Å; T290-V334 PolarHBondContact OG1-O 3Å; T290-S354 PolarHBondContact N-O 3.42Å; T290-S354 WeakPolarHBondContact OG1-CB 3.47Å; T290-S354 PolarHBondContact OG1-O 2.8Å
291	S	80.8	Confident	86.8	Confident	58 Å²	58	62.3 Å²	62.3	41%	0.406	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.7	-176.4	54.9	0	0	0	0	115.7	R289 P293	R289-S291 PolarHBondContact NE-OG 3.05Å; S291-P293 WeakPolarHBondContact O-CD 3.4Å
292	S	72.8	Confident	86.6	Confident	48 Å²	48	60.5 Å²	60.5	34%	0.336	32%	0.32	S	S	.	.			trans	-122	80.7	-177.7	-168.4	0	0	0	0	111.4	T294	S292-T294 PolarHBondContact O-N 3.39Å; S292-T294 PolarHBondContact OG-OG1 3.29Å
293	P	67.3	Low	86.5	Confident	85 Å²	85	64.1 Å²	64.1	55%	0.552	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	23.4	-178	33.8	-37.2	0	0	0	113.8	S291 D295 Y298	S291-P293 WeakPolarHBondContact O-CD 3.4Å; P293-D295 VanDerWaalsContact C-N 3.26Å; P293-D295 PolarHBondContact O-N 2.87Å; P293-Y298 HydrophobicContact CB-CD1 3.68Å; P293-Y298 HydrophobicContact CB-CE1 3.8Å; P293-Y298 HydrophobicContact CB-CG 4.14Å
294	T	67.1	Low	86.5	Confident	122 Å²	122	65.5 Å²	65.5	75%	0.748	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.1	-170.7	47.4	0	0	0	0	114.3	S292	S292-T294 PolarHBondContact O-N 3.39Å; S292-T294 PolarHBondContact OG-OG1 3.29Å
295	D	74.1	Confident	86.6	Confident	75 Å²	75	62.2 Å²	62.2	40%	0.401	33%	0.328	S	S	.	.	S	Bend	trans	-86	134.6	179.3	-173.8	-9.1	0	0	0	110.9	P293 D297 Y298 R301	P293-D295 VanDerWaalsContact C-N 3.26Å; P293-D295 PolarHBondContact O-N 2.87Å; D295-D297 PolarHBondContact O-N 3.15Å; D295-D297 VanDerWaalsContact O-N 3.15Å; D295-D297 PolarHBondContact OD1-N 3.29Å; D295-D297 VanDerWaalsContact OD1-N 3.15Å; D295-Y298 WeakPolarHBondContact O-CB 3.15Å; D295-Y298 PolarHBondContact O-N 2.96Å; D295-R301 VanDerWaalsContact CG-NH2 3.33Å; D295-R301 IonicContact OD2-CZ 3.68Å; D295-R301 IonicContact OD2-NH1 2.95Å; D295-R301 IonicContact OD2-NH2 3.94Å; D295-R301 PolarHBondContact OD2-NH2 3.32Å
296	I	78.4	Confident	86.7	Confident	164 Å²	164	60.5 Å²	60.5	84%	0.841	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33.7	179.2	-62.8	167.3	0	0	0	110.7
297	D	85.1	Confident	87	Confident	95 Å²	95	62 Å²	62	51%	0.508	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.7	179.8	-67.1	-38.7	0	0	0	113.7	D295 S300 R301	D295-D297 PolarHBondContact O-N 3.15Å; D295-D297 VanDerWaalsContact O-N 3.15Å; D295-D297 PolarHBondContact OD1-N 3.29Å; D295-D297 VanDerWaalsContact OD1-N 3.15Å; D297-S300 PolarHBondContact O-OG 2.85Å; D297-R301 WeakPolarHBondContact O-CB 3.34Å; D297-R301 VanDerWaalsContact O-CG 3.27Å; D297-R301 WeakPolarHBondContact O-CG 3.43Å; D297-R301 PolarHBondContact O-N 3.44Å; D297-R301 PolarHBondContact O-NE 2.93Å
298	Y	88.3	Confident	87.3	Confident	27 Å²	27	59.7 Å²	59.7	11%	0.106	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-51.6	178.4	175.1	-92.3	0	0	0	112	I288 R289 T290 P293 D295 S300 R301 I302	I288-Y298 HydrophobicContact CG2-CD2 4.26Å; I288-Y298 HydrophobicContact CG2-CE2 4.31Å; R289-Y298 WeakPolarHBondContact O-CE2 3.15Å; T290-Y298 PolarHBondContact O-OH 3.14Å; P293-Y298 HydrophobicContact CB-CD1 3.68Å; P293-Y298 HydrophobicContact CB-CE1 3.8Å; P293-Y298 HydrophobicContact CB-CG 4.14Å; D295-Y298 WeakPolarHBondContact O-CB 3.15Å; D295-Y298 PolarHBondContact O-N 2.96Å; Y298-S300 VanDerWaalsContact C-N 3.34Å; Y298-S300 PolarHBondContact O-N 3.27Å; Y298-R301 PolarHBondContact O-N 2.77Å; Y298-I302 HydrophobicContact CD1-CG1 4.27Å; Y298-I302 HydrophobicContact CD2-CG1 4.27Å; Y298-I302 HydrophobicContact CE1-CG1 3.81Å; Y298-I302 HydrophobicContact CE2-CD1 4.15Å; Y298-I302 HydrophobicContact CE2-CG1 3.83Å; Y298-I302 HydrophobicContact CG-CG1 4.48Å; Y298-I302 WeakPolarHBondContact O-CG1 3.38Å; Y298-I302 PolarHBondContact O-N 3.06Å
299	E	89.5	Confident	87.6	Confident	110 Å²	110	59.9 Å²	59.9	51%	0.514	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-41.3	-174.7	-168.6	-176.1	154.3	0	0	111.7	I302 K303	E299-I302 PolarHBondContact O-N 3.31Å; E299-K303 HydrophobicContact CG-CD 4.22Å; E299-K303 WeakPolarHBondContact O-CB 2.96Å; E299-K303 WeakPolarHBondContact O-CG 3.12Å; E299-K303 PolarHBondContact O-N 2.88Å; E299-K303 VanDerWaalsContact OE1-CE 3.24Å; E299-K303 WeakPolarHBondContact OE1-CE 3.38Å; E299-K303 IonicContact OE1-NZ 3.97Å; E299-K303 PolarHBondContact OE1-NZ 3.12Å
300	S	91.8	Very high	88	Confident	44 Å²	44	59 Å²	59	31%	0.308	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-43.4	177	63.8	0	0	0	0	111.6	D297 Y298 K303 L304	D297-S300 PolarHBondContact O-OG 2.85Å; Y298-S300 VanDerWaalsContact C-N 3.34Å; Y298-S300 PolarHBondContact O-N 3.27Å; S300-K303 PolarHBondContact O-N 3.43Å; S300-L304 WeakPolarHBondContact O-CG 3.45Å; S300-L304 PolarHBondContact O-N 2.82Å; S300-L304 VanDerWaalsContact O-N 3.07Å
301	R	90.7	Very high	88.2	Confident	50 Å²	50	62 Å²	62	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-40.3	177	-74.4	-179.8	-62.8	171.8	-1.6	113.3	D295 D297 Y298 L304 S305 Q358	D295-R301 VanDerWaalsContact CG-NH2 3.33Å; D295-R301 IonicContact OD2-CZ 3.68Å; D295-R301 IonicContact OD2-NH1 2.95Å; D295-R301 IonicContact OD2-NH2 3.94Å; D295-R301 PolarHBondContact OD2-NH2 3.32Å; D297-R301 WeakPolarHBondContact O-CB 3.34Å; D297-R301 VanDerWaalsContact O-CG 3.27Å; D297-R301 WeakPolarHBondContact O-CG 3.43Å; D297-R301 PolarHBondContact O-N 3.44Å; D297-R301 PolarHBondContact O-NE 2.93Å; Y298-R301 PolarHBondContact O-N 2.77Å; R301-L304 WeakPolarHBondContact O-CB 3.39Å; R301-L304 PolarHBondContact O-N 3.18Å; R301-S305 PolarHBondContact O-N 3.33Å; R301-Q358 PolarHBondContact O-NE2 3.13Å
302	I	94	Very high	89	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-72.7	-34.4	178.1	-61.4	-61.5	0	0	0	111.2	I288 Y298 E299 L304 S305 H306 W326 F329 V334	I288-I302 HydrophobicContact CG2-CD1 4.25Å; Y298-I302 HydrophobicContact CD1-CG1 4.27Å; Y298-I302 HydrophobicContact CD2-CG1 4.27Å; Y298-I302 HydrophobicContact CE1-CG1 3.81Å; Y298-I302 HydrophobicContact CE2-CD1 4.15Å; Y298-I302 HydrophobicContact CE2-CG1 3.83Å; Y298-I302 HydrophobicContact CG-CG1 4.48Å; Y298-I302 WeakPolarHBondContact O-CG1 3.38Å; Y298-I302 PolarHBondContact O-N 3.06Å; E299-I302 PolarHBondContact O-N 3.31Å; I302-L304 VanDerWaalsContact C-N 3.29Å; I302-L304 PolarHBondContact O-N 2.9Å; I302-S305 WeakPolarHBondContact O-CB 2.99Å; I302-S305 PolarHBondContact O-N 2.76Å; I302-S305 VanDerWaalsContact O-N 3.14Å; I302-H306 PolarHBondContact O-N 3.41Å; I302-W326 HydrophobicContact CB-CH2 4.28Å; I302-W326 HydrophobicContact CG2-CH2 3.65Å; I302-W326 HydrophobicContact CG2-CZ3 4.02Å; I302-F329 HydrophobicContact CG2-CE1 3.8Å; I302-V334 HydrophobicContact CG2-CG1 4.35Å; I302-V334 HydrophobicContact CG2-CG2 3.79Å
303	K	94.7	Very high	90.1	Very high	105 Å²	105	58.3 Å²	58.3	46%	0.457	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-36.4	170.8	-80.3	174.7	167.8	168.2	0	112.4	E299 S300 H306 K307 W326	E299-K303 HydrophobicContact CG-CD 4.22Å; E299-K303 WeakPolarHBondContact O-CB 2.96Å; E299-K303 WeakPolarHBondContact O-CG 3.12Å; E299-K303 PolarHBondContact O-N 2.88Å; E299-K303 VanDerWaalsContact OE1-CE 3.24Å; E299-K303 WeakPolarHBondContact OE1-CE 3.38Å; E299-K303 IonicContact OE1-NZ 3.97Å; E299-K303 PolarHBondContact OE1-NZ 3.12Å; S300-K303 PolarHBondContact O-N 3.43Å; K303-H306 PolarHBondContact O-N 2.78Å; K303-K307 PolarHBondContact O-N 3.02Å; K303-W326 HydrophobicContact CG-CH2 3.83Å; K303-W326 HydrophobicContact CG-CZ2 4.42Å; K303-W326 HydrophobicContact CG-CZ3 3.95Å
304	L	95.9	Very high	91.4	Very high	51 Å²	51	56.5 Å²	56.5	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-43.4	171.2	-70.8	172.7	0	0	0	111.8	S300 R301 I302 H306 K307 I308 W360 L366	S300-L304 WeakPolarHBondContact O-CG 3.45Å; S300-L304 PolarHBondContact O-N 2.82Å; S300-L304 VanDerWaalsContact O-N 3.07Å; R301-L304 WeakPolarHBondContact O-CB 3.39Å; R301-L304 PolarHBondContact O-N 3.18Å; I302-L304 VanDerWaalsContact C-N 3.29Å; I302-L304 PolarHBondContact O-N 2.9Å; L304-H306 VanDerWaalsContact C-N 3.32Å; L304-H306 PolarHBondContact O-N 3.14Å; L304-K307 PolarHBondContact O-N 3.4Å; L304-I308 WeakPolarHBondContact O-CG1 3.39Å; L304-I308 PolarHBondContact O-N 3.44Å; L304-W360 HydrophobicContact CD1-CH2 3.6Å; L304-W360 HydrophobicContact CD1-CZ2 4.25Å; L304-L366 HydrophobicContact CB-CD2 4.06Å
305	S	97.1	Very high	92.6	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-45	172.4	-63.4	0	0	0	0	111.5	R301 I302 K307 I308 Y309 H356 Q358 F385	R301-S305 PolarHBondContact O-N 3.33Å; I302-S305 WeakPolarHBondContact O-CB 2.99Å; I302-S305 PolarHBondContact O-N 2.76Å; I302-S305 VanDerWaalsContact O-N 3.14Å; S305-K307 VanDerWaalsContact C-N 3.33Å; S305-K307 PolarHBondContact O-N 2.8Å; S305-I308 PolarHBondContact O-N 2.95Å; S305-I308 VanDerWaalsContact O-N 3.17Å; S305-Y309 PolarHBondContact O-N 2.71Å; S305-H356 PolarHBondContact OG-ND1 3.06Å; S305-Q358 PolarHBondContact OG-NE2 2.6Å; S305-F385 WeakPolarHBondContact O-CE2 3.14Å
306	H	97.7	Very high	93.5	Very high	29 Å²	29	52.2 Å²	52.2	13%	0.134	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-40.7	178.6	177.3	-131.2	0	0	0	112.8	I302 K303 L304 I308 Y309 E310 C324 W326 F329	I302-H306 PolarHBondContact O-N 3.41Å; K303-H306 PolarHBondContact O-N 2.78Å; L304-H306 VanDerWaalsContact C-N 3.32Å; L304-H306 PolarHBondContact O-N 3.14Å; H306-I308 VanDerWaalsContact C-N 3.32Å; H306-I308 PolarHBondContact O-N 3.3Å; H306-Y309 AromaticContact CD2-CD1 3.95Å; H306-Y309 WeakPolarHBondContact O-CB 3.24Å; H306-Y309 PolarHBondContact O-N 3.23Å; H306-Y309 VanDerWaalsContact O-N 3.15Å; H306-E310 PolarHBondContact O-N 3.28Å; H306-C324 PolarHBondContact NE2-O 3.16Å; H306-W326 HydrophobicContact CB-CE3 3.64Å; H306-W326 HydrophobicContact CB-CZ3 3.64Å; H306-W326 AromaticContact CG-CE3 3.59Å; H306-W326 AromaticContact ND1-CE3 3.55Å; H306-F329 HydrophobicContact CB-CD1 3.68Å; H306-F329 HydrophobicContact CB-CD2 4.43Å; H306-F329 HydrophobicContact CB-CE1 3.73Å; H306-F329 HydrophobicContact CB-CE2 4.47Å; H306-F329 HydrophobicContact CB-CG 4.04Å; H306-F329 HydrophobicContact CB-CZ 4.13Å; H306-F329 VanDerWaalsContact CD2-CB 3.43Å; H306-F329 WeakPolarHBondContact CD2-CB 3.2Å; H306-F329 AromaticContact CD2-CD1 3.96Å; H306-F329 AromaticContact CD2-CG 3.53Å
307	K	97.4	Very high	93.9	Very high	99 Å²	99	47.5 Å²	47.5	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-59.7	-41.5	175.5	-173.8	176.3	-179.4	177.5	0	112.2	K303 L304 S305 Q311	K303-K307 PolarHBondContact O-N 3.02Å; L304-K307 PolarHBondContact O-N 3.4Å; S305-K307 VanDerWaalsContact C-N 3.33Å; S305-K307 PolarHBondContact O-N 2.8Å; K307-Q311 WeakPolarHBondContact O-CG 3.45Å; K307-Q311 PolarHBondContact O-N 3.46Å
308	I	97.9	Very high	94.3	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-40.8	175.9	-55.3	-58.1	0	0	0	110.7	L304 S305 H306 Q311 Y312 L366 F385 D387	L304-I308 WeakPolarHBondContact O-CG1 3.39Å; L304-I308 PolarHBondContact O-N 3.44Å; S305-I308 PolarHBondContact O-N 2.95Å; S305-I308 VanDerWaalsContact O-N 3.17Å; H306-I308 VanDerWaalsContact C-N 3.32Å; H306-I308 PolarHBondContact O-N 3.3Å; I308-Q311 PolarHBondContact O-N 3.46Å; I308-Y312 VanDerWaalsContact O-CB 3.27Å; I308-Y312 WeakPolarHBondContact O-CB 3.27Å; I308-Y312 PolarHBondContact O-N 3.22Å; I308-L366 WeakPolarHBondContact CD1-O 3.33Å; I308-L366 HydrophobicContact CG1-CD2 3.97Å; I308-L366 HydrophobicContact CG1-CG 4.07Å; I308-F385 HydrophobicContact CB-CD2 4.09Å; I308-F385 HydrophobicContact CB-CE2 4.21Å; I308-F385 HydrophobicContact CG2-CD2 3.91Å; I308-F385 HydrophobicContact CG2-CE2 4.44Å; I308-D387 HydrophobicContact CD1-CB 4.29Å
309	Y	97.7	Very high	94.4	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-48.5	176.1	167.6	-96.3	0	0	0	112.1	S305 H306 Q311 Y312 Q313 C324 F329 L333 Y383 F385	S305-Y309 PolarHBondContact O-N 2.71Å; H306-Y309 AromaticContact CD2-CD1 3.95Å; H306-Y309 WeakPolarHBondContact O-CB 3.24Å; H306-Y309 PolarHBondContact O-N 3.23Å; H306-Y309 VanDerWaalsContact O-N 3.15Å; Y309-Q311 PolarHBondContact O-N 2.7Å; Y309-Y312 PolarHBondContact O-N 2.99Å; Y309-Q313 HydrophobicContact CD1-CG 4.31Å; Y309-Q313 HydrophobicContact CD2-CG 3.97Å; Y309-Q313 HydrophobicContact CE1-CG 3.9Å; Y309-Q313 HydrophobicContact CE2-CG 3.5Å; Y309-Q313 HydrophobicContact CG-CG 4.35Å; Y309-Q313 VanDerWaalsContact CZ-CG 3.45Å; Y309-Q313 WeakPolarHBondContact O-CG 3.22Å; Y309-Q313 PolarHBondContact O-N 2.9Å; Y309-C324 HydrophobicContact CE1-CB 4.49Å; Y309-F329 HydrophobicContact CD1-CB 4.2Å; Y309-F329 AromaticContact CD1-CD2 3.67Å; Y309-F329 HydrophobicContact CD1-CD2 3.67Å; Y309-F329 HydrophobicContact CD1-CG 4.33Å; Y309-F329 HydrophobicContact CD2-CD2 4.13Å; Y309-F329 HydrophobicContact CE1-CB 4.24Å; Y309-F329 HydrophobicContact CE1-CD2 4.27Å; Y309-F329 AromaticContact CG-CD2 3.58Å; Y309-F329 HydrophobicContact CG-CD2 3.58Å; Y309-F329 HydrophobicContact CG-CE2 4.05Å; Y309-L333 HydrophobicContact CD2-CD1 3.57Å; Y309-L333 HydrophobicContact CE2-CD1 3.68Å; Y309-L333 HydrophobicContact CG-CD1 4.39Å; Y309-Y383 HydrophobicContact CD2-CE1 4.36Å; Y309-Y383 HydrophobicContact CE2-CE1 4.26Å; Y309-F385 HydrophobicContact CD2-CD1 4.38Å; Y309-F385 HydrophobicContact CD2-CG 4.41Å
310	E	97.3	Very high	94.6	Very high	36 Å²	36	50.5 Å²	50.5	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-50.8	177.4	-179.5	-171.3	-162.7	0	0	110.8	H306 Y312 Q313 I314 K321 C324	H306-E310 PolarHBondContact O-N 3.28Å; E310-Y312 VanDerWaalsContact C-N 3.3Å; E310-Y312 PolarHBondContact O-N 3.34Å; E310-Q313 PolarHBondContact O-N 3.13Å; E310-I314 HydrophobicContact CG-CD1 3.75Å; E310-I314 WeakPolarHBondContact O-CB 3.47Å; E310-I314 VanDerWaalsContact O-CG1 3.26Å; E310-I314 WeakPolarHBondContact O-CG1 3.44Å; E310-I314 PolarHBondContact O-N 3.47Å; E310-I314 VanDerWaalsContact O-N 3.07Å; E310-K321 WeakPolarHBondContact OE1-CE 3.49Å; E310-K321 WeakPolarHBondContact OE1-CG 3.46Å; E310-C324 HydrophobicContact CB-CB 4.36Å; E310-C324 HydrophobicContact CG-CB 4.05Å
311	Q	96.4	Very high	94.6	Very high	71 Å²	71	54.5 Å²	54.5	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-40.5	178.1	-64.4	-57.9	-58.8	0	0	111.9	K307 I308 Y309 H315	K307-Q311 WeakPolarHBondContact O-CG 3.45Å; K307-Q311 PolarHBondContact O-N 3.46Å; I308-Q311 PolarHBondContact O-N 3.46Å; Y309-Q311 PolarHBondContact O-N 2.7Å; Q311-H315 WeakPolarHBondContact O-CB 3.49Å; Q311-H315 PolarHBondContact O-N 2.99Å; Q311-H315 PolarHBondContact O-ND1 3.47Å; Q311-H315 PolarHBondContact OE1-CE1 3.39Å
312	Y	97.2	Very high	94.6	Very high	18 Å²	18	59.2 Å²	59.2	7%	0.071	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-49.1	179	-179.5	-95.7	0	0	0	112.3	I308 Y309 E310 I314 H315 I316 H317 F385 Y386	I308-Y312 VanDerWaalsContact O-CB 3.27Å; I308-Y312 WeakPolarHBondContact O-CB 3.27Å; I308-Y312 PolarHBondContact O-N 3.22Å; Y309-Y312 PolarHBondContact O-N 2.99Å; E310-Y312 VanDerWaalsContact C-N 3.3Å; E310-Y312 PolarHBondContact O-N 3.34Å; Y312-I314 PolarHBondContact O-N 2.67Å; Y312-H315 PolarHBondContact O-N 2.88Å; Y312-I316 HydrophobicContact CD2-CB 4.25Å; Y312-I316 HydrophobicContact CD2-CG1 3.68Å; Y312-I316 HydrophobicContact CE2-CB 4.01Å; Y312-I316 HydrophobicContact CE2-CG1 3.66Å; Y312-I316 HydrophobicContact CE2-CG2 4.07Å; Y312-I316 HydrophobicContact CG-CG1 4.37Å; Y312-I316 VanDerWaalsContact O-CB 3.25Å; Y312-I316 WeakPolarHBondContact O-CB 3.25Å; Y312-I316 PolarHBondContact O-N 3.26Å; Y312-H317 AromaticContact CE1-CD2 3.52Å; Y312-H317 AromaticContact CE1-NE2 3.35Å; Y312-H317 WeakPolarHBondContact CE1-NE2 3.24Å; Y312-H317 AromaticContact CZ-NE2 3.84Å; Y312-F385 HydrophobicContact CD1-CB 3.58Å; Y312-F385 HydrophobicContact CD2-CB 4.25Å; Y312-F385 HydrophobicContact CE1-CB 4.16Å; Y312-F385 HydrophobicContact CG-CB 3.63Å; Y312-Y386 HydrophobicContact CD2-CD1 4.07Å; Y312-Y386 HydrophobicContact CD2-CD2 4.34Å; Y312-Y386 HydrophobicContact CD2-CE1 4.15Å; Y312-Y386 HydrophobicContact CD2-CE2 4.4Å; Y312-Y386 HydrophobicContact CD2-CG 4.17Å; Y312-Y386 WeakPolarHBondContact CD2-O 3.36Å; Y312-Y386 AromaticContact CE2-CD1 3.67Å; Y312-Y386 HydrophobicContact CE2-CD1 3.67Å; Y312-Y386 HydrophobicContact CE2-CD2 4.46Å; Y312-Y386 AromaticContact CE2-CE1 3.38Å; Y312-Y386 HydrophobicContact CE2-CE1 3.38Å; Y312-Y386 HydrophobicContact CE2-CE2 4.22Å; Y312-Y386 HydrophobicContact CE2-CG 4.2Å; Y312-Y386 AromaticContact CE2-CZ 3.67Å
313	Q	95.5	Very high	94.5	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.047	30%	0.3	C	S	.	.	I	π-helix	trans	-60.7	-46	178.9	-66.7	-47.5	-46	0	0	111.5	Y309 E310 H315 H317 N318 D319 C324 Y383	Y309-Q313 HydrophobicContact CD1-CG 4.31Å; Y309-Q313 HydrophobicContact CD2-CG 3.97Å; Y309-Q313 HydrophobicContact CE1-CG 3.9Å; Y309-Q313 HydrophobicContact CE2-CG 3.5Å; Y309-Q313 HydrophobicContact CG-CG 4.35Å; Y309-Q313 VanDerWaalsContact CZ-CG 3.45Å; Y309-Q313 WeakPolarHBondContact O-CG 3.22Å; Y309-Q313 PolarHBondContact O-N 2.9Å; E310-Q313 PolarHBondContact O-N 3.13Å; Q313-H315 PolarHBondContact O-N 2.84Å; Q313-H317 CarbonylContact O-C 3.57Å; Q313-H317 WeakPolarHBondContact O-CA 3.34Å; Q313-H317 WeakPolarHBondContact O-CB 3.44Å; Q313-H317 PolarHBondContact O-N 2.64Å; Q313-H317 PolarHBondContact OE1-CD2 2.83Å; Q313-N318 PolarHBondContact O-N 2.92Å; Q313-D319 HydrophobicContact CB-CB 4.04Å; Q313-D319 PolarHBondContact O-N 3.4Å; Q313-D319 PolarHBondContact OE1-OD2 3.01Å; Q313-C324 WeakPolarHBondContact CB-SG 3.49Å; Q313-Y383 PolarHBondContact NE2-OH 2.92Å
314	I	94.9	Very high	94.4	Very high	46 Å²	46	57.6 Å²	57.6	24%	0.236	28%	0.279	C	S	.	.	I	π-helix	trans	-63.2	-45.6	-179.4	-66.3	168.9	0	0	0	111.4	E310 Y312 N318 K321	E310-I314 HydrophobicContact CG-CD1 3.75Å; E310-I314 WeakPolarHBondContact O-CB 3.47Å; E310-I314 VanDerWaalsContact O-CG1 3.26Å; E310-I314 WeakPolarHBondContact O-CG1 3.44Å; E310-I314 PolarHBondContact O-N 3.47Å; E310-I314 VanDerWaalsContact O-N 3.07Å; Y312-I314 PolarHBondContact O-N 2.67Å; I314-N318 VanDerWaalsContact O-CA 3.26Å; I314-N318 WeakPolarHBondContact O-CA 3.41Å; I314-N318 PolarHBondContact O-N 3.23Å; I314-K321 HydrophobicContact CD1-CB 4.13Å; I314-K321 HydrophobicContact CD1-CG 4.15Å
315	H	93.6	Very high	94.4	Very high	90 Å²	90	57.7 Å²	57.7	42%	0.417	28%	0.282	S	S	.	.	I	π-helix	trans	-91.1	-28	-170.5	-64.4	85.6	0	0	0	114.5	Q311 Y312 Q313 P388	Q311-H315 WeakPolarHBondContact O-CB 3.49Å; Q311-H315 PolarHBondContact O-N 2.99Å; Q311-H315 PolarHBondContact O-ND1 3.47Å; Q311-H315 PolarHBondContact OE1-CE1 3.39Å; Y312-H315 PolarHBondContact O-N 2.88Å; Q313-H315 PolarHBondContact O-N 2.84Å; H315-P388 HydrophobicContact CB-CB 4.13Å; H315-P388 HydrophobicContact CB-CG 3.78Å
316	I	91.5	Very high	94.3	Very high	18 Å²	18	60.3 Å²	60.3	9%	0.092	29%	0.292	C	S	.	.	I	π-helix	trans	-98.8	-41	-178	-55.6	-59.6	0	0	0	110.7	H126 Y312 P388	H126-I316 HydrophobicContact CB-CD1 4.23Å; Y312-I316 HydrophobicContact CD2-CB 4.25Å; Y312-I316 HydrophobicContact CD2-CG1 3.68Å; Y312-I316 HydrophobicContact CE2-CB 4.01Å; Y312-I316 HydrophobicContact CE2-CG1 3.66Å; Y312-I316 HydrophobicContact CE2-CG2 4.07Å; Y312-I316 HydrophobicContact CG-CG1 4.37Å; Y312-I316 VanDerWaalsContact O-CB 3.25Å; Y312-I316 WeakPolarHBondContact O-CB 3.25Å; Y312-I316 PolarHBondContact O-N 3.26Å; I316-P388 HydrophobicContact CD1-CB 4.48Å
317	H	88.4	Confident	94.2	Very high	65 Å²	65	64.7 Å²	64.7	30%	0.301	31%	0.312	S	S	.	.	I	π-helix	trans	-98.2	-11.8	-178.5	-67.2	-69	0	0	0	113.9	Y312 Q313 D319	Y312-H317 AromaticContact CE1-CD2 3.52Å; Y312-H317 AromaticContact CE1-NE2 3.35Å; Y312-H317 WeakPolarHBondContact CE1-NE2 3.24Å; Y312-H317 AromaticContact CZ-NE2 3.84Å; Q313-H317 CarbonylContact O-C 3.57Å; Q313-H317 WeakPolarHBondContact O-CA 3.34Å; Q313-H317 WeakPolarHBondContact O-CB 3.44Å; Q313-H317 PolarHBondContact O-N 2.64Å; Q313-H317 PolarHBondContact OE1-CD2 2.83Å; H317-D319 PolarHBondContact O-N 3.21Å
318	N	92	Very high	94.1	Very high	133 Å²	133	63.8 Å²	63.8	71%	0.711	31%	0.306	S	S	*	.			trans	58.6	33.8	-174.3	-47	-72.1	0	0	0	112.7	Q313 I314	Q313-N318 PolarHBondContact O-N 2.92Å; I314-N318 VanDerWaalsContact O-CA 3.26Å; I314-N318 WeakPolarHBondContact O-CA 3.41Å; I314-N318 PolarHBondContact O-N 3.23Å
319	D	90.8	Very high	94	Very high	55 Å²	55	63 Å²	63	29%	0.294	30%	0.302	S	S	.	.			trans	-72.6	148.9	172.9	-73.3	3.4	0	0	0	110.2	Q313 H317	Q313-D319 HydrophobicContact CB-CB 4.04Å; Q313-D319 PolarHBondContact O-N 3.4Å; Q313-D319 PolarHBondContact OE1-OD2 3.01Å; H317-D319 PolarHBondContact O-N 3.21Å
320	D	93.4	Very high	93.9	Very high	106 Å²	106	65 Å²	65	57%	0.567	31%	0.312	S	S	*	.			trans	-68.5	148.7	172.7	-70.2	-37.8	0	0	0	110.7	E322 D323 C324	D320-E322 PolarHBondContact O-N 3.28Å; D320-D323 WeakPolarHBondContact O-CB 3.37Å; D320-D323 PolarHBondContact O-N 3.5Å; D320-C324 PolarHBondContact O-SG 3.35Å; D320-C324 VanDerWaalsContact O-SG 3.39Å
321	K	91.8	Very high	93.8	Very high	129 Å²	129	69.3 Å²	69.3	56%	0.561	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.1	-35.8	-178.8	-173.3	-179	-177.6	-174.1	0	111.3	E310 I314 D323 C324	E310-K321 WeakPolarHBondContact OE1-CE 3.49Å; E310-K321 WeakPolarHBondContact OE1-CG 3.46Å; I314-K321 HydrophobicContact CD1-CB 4.13Å; I314-K321 HydrophobicContact CD1-CG 4.15Å; K321-D323 PolarHBondContact O-N 2.97Å; K321-C324 PolarHBondContact O-N 3.45Å
322	E	92.4	Very high	93.7	Very high	148 Å²	148	69.2 Å²	69.2	69%	0.692	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-64	-24.7	177.5	-64.2	69.1	-152	0	0	112	D320 T325	D320-E322 PolarHBondContact O-N 3.28Å; E322-T325 WeakPolarHBondContact O-CG2 3.32Å
323	D	90.7	Very high	93.6	Very high	71 Å²	71	69.1 Å²	69.1	38%	0.38	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-80.4	-17.9	174.8	-88.7	-49.5	0	0	0	113	D320 K321 T325 R328	D320-D323 WeakPolarHBondContact O-CB 3.37Å; D320-D323 PolarHBondContact O-N 3.5Å; K321-D323 PolarHBondContact O-N 2.97Å; D323-T325 VanDerWaalsContact C-N 3.33Å; D323-T325 PolarHBondContact O-N 3.44Å; D323-R328 WeakPolarHBondContact O-CD 3.42Å; D323-R328 PolarHBondContact O-NH1 3.4Å; D323-R328 IonicContact OD1-NH1 3.67Å; D323-R328 PolarHBondContact OD1-NH1 2.83Å
324	C	93.6	Very high	93.6	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.02	33%	0.327	C	S	.	.	S	Bend	trans	-93	32.8	-173.3	-62	0	0	0	0	113.7	H306 Y309 E310 Q313 D320 K321	H306-C324 PolarHBondContact NE2-O 3.16Å; Y309-C324 HydrophobicContact CE1-CB 4.49Å; E310-C324 HydrophobicContact CB-CB 4.36Å; E310-C324 HydrophobicContact CG-CB 4.05Å; Q313-C324 WeakPolarHBondContact CB-SG 3.49Å; D320-C324 PolarHBondContact O-SG 3.35Å; D320-C324 VanDerWaalsContact O-SG 3.39Å; K321-C324 PolarHBondContact O-N 3.45Å
325	T	95.1	Very high	93.6	Very high	53 Å²	53	73 Å²	73	33%	0.325	34%	0.342	S	S	.	.			trans	-65.8	156.1	-171.9	78	0	0	0	0	114.1	E322 D323 E327 R328 F329	E322-T325 WeakPolarHBondContact O-CG2 3.32Å; D323-T325 VanDerWaalsContact C-N 3.33Å; D323-T325 PolarHBondContact O-N 3.44Å; T325-E327 VanDerWaalsContact C-N 3.29Å; T325-E327 WeakPolarHBondContact CB-OE2 3.5Å; T325-E327 PolarHBondContact O-N 3.4Å; T325-E327 PolarHBondContact OG1-OE2 2.85Å; T325-R328 PolarHBondContact O-N 2.95Å; T325-R328 WeakPolarHBondContact OG1-CB 3.41Å; T325-R328 PolarHBondContact OG1-N 2.87Å; T325-F329 WeakPolarHBondContact O-CB 3.42Å; T325-F329 PolarHBondContact O-N 2.81Å
326	W	95.7	Very high	93.7	Very high	55 Å²	55	70 Å²	70	21%	0.208	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-40.9	175.3	171.3	-112.3	0	0	0	111.8	I302 K303 H306 R328 F329 Q330	I302-W326 HydrophobicContact CB-CH2 4.28Å; I302-W326 HydrophobicContact CG2-CH2 3.65Å; I302-W326 HydrophobicContact CG2-CZ3 4.02Å; K303-W326 HydrophobicContact CG-CH2 3.83Å; K303-W326 HydrophobicContact CG-CZ2 4.42Å; K303-W326 HydrophobicContact CG-CZ3 3.95Å; H306-W326 HydrophobicContact CB-CE3 3.64Å; H306-W326 HydrophobicContact CB-CZ3 3.64Å; H306-W326 AromaticContact CG-CE3 3.59Å; H306-W326 AromaticContact ND1-CE3 3.55Å; W326-R328 VanDerWaalsContact C-N 3.34Å; W326-R328 PolarHBondContact O-N 2.83Å; W326-F329 AromaticContact CE3-CD1 3.92Å; W326-F329 HydrophobicContact CE3-CD1 3.92Å; W326-F329 HydrophobicContact CE3-CE1 4.48Å; W326-F329 AromaticContact CZ3-CD1 3.86Å; W326-F329 HydrophobicContact CZ3-CD1 3.86Å; W326-F329 AromaticContact CZ3-CE1 3.98Å; W326-F329 HydrophobicContact CZ3-CE1 3.98Å; W326-F329 PolarHBondContact O-N 3Å; W326-Q330 HydrophobicContact CD2-CG 3.95Å; W326-Q330 HydrophobicContact CE3-CG 4.39Å; W326-Q330 HydrophobicContact CG-CG 4.45Å; W326-Q330 HydrophobicContact CH2-CG 4.31Å; W326-Q330 HydrophobicContact CZ2-CG 3.82Å; W326-Q330 VanDerWaalsContact CZ2-NE2 3.33Å; W326-Q330 VanDerWaalsContact NE1-OE1 3.14Å; W326-Q330 WeakPolarHBondContact O-CB 3.18Å; W326-Q330 WeakPolarHBondContact O-CG 3.43Å; W326-Q330 PolarHBondContact O-N 3.27Å
327	E	95.4	Very high	93.9	Very high	120 Å²	120	69.3 Å²	69.3	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-40.7	-179.5	-61.6	67.7	-143.6	0	0	111	T325 Q330 R331	T325-E327 VanDerWaalsContact C-N 3.29Å; T325-E327 WeakPolarHBondContact CB-OE2 3.5Å; T325-E327 PolarHBondContact O-N 3.4Å; T325-E327 PolarHBondContact OG1-OE2 2.85Å; E327-Q330 PolarHBondContact O-N 3.21Å; E327-R331 VanDerWaalsContact O-CB 3.27Å; E327-R331 WeakPolarHBondContact O-CB 3.36Å; E327-R331 PolarHBondContact O-N 2.78Å
328	R	94.2	Very high	94.2	Very high	81 Å²	81	66.4 Å²	66.4	31%	0.306	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-45.6	177.3	-169	-178.9	-169.8	156	-1.9	110.8	D323 T325 W326 R331 F332	D323-R328 WeakPolarHBondContact O-CD 3.42Å; D323-R328 PolarHBondContact O-NH1 3.4Å; D323-R328 IonicContact OD1-NH1 3.67Å; D323-R328 PolarHBondContact OD1-NH1 2.83Å; T325-R328 PolarHBondContact O-N 2.95Å; T325-R328 WeakPolarHBondContact OG1-CB 3.41Å; T325-R328 PolarHBondContact OG1-N 2.87Å; W326-R328 VanDerWaalsContact C-N 3.34Å; W326-R328 PolarHBondContact O-N 2.83Å; R328-R331 PolarHBondContact O-N 3.19Å; R328-F332 HydrophobicContact CG-CD2 3.51Å; R328-F332 HydrophobicContact CG-CE2 3.39Å; R328-F332 WeakPolarHBondContact O-CD2 3.22Å; R328-F332 PolarHBondContact O-N 3.29Å
329	F	96.5	Very high	94.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-49.4	174.1	172.4	-99.9	0	0	0	111.6	I302 H306 Y309 T325 W326 R331 F332 L333 V334 H356 F385	I302-F329 HydrophobicContact CG2-CE1 3.8Å; H306-F329 HydrophobicContact CB-CD1 3.68Å; H306-F329 HydrophobicContact CB-CD2 4.43Å; H306-F329 HydrophobicContact CB-CE1 3.73Å; H306-F329 HydrophobicContact CB-CE2 4.47Å; H306-F329 HydrophobicContact CB-CG 4.04Å; H306-F329 HydrophobicContact CB-CZ 4.13Å; H306-F329 VanDerWaalsContact CD2-CB 3.43Å; H306-F329 WeakPolarHBondContact CD2-CB 3.2Å; H306-F329 AromaticContact CD2-CD1 3.96Å; H306-F329 AromaticContact CD2-CG 3.53Å; Y309-F329 HydrophobicContact CD1-CB 4.2Å; Y309-F329 AromaticContact CD1-CD2 3.67Å; Y309-F329 HydrophobicContact CD1-CD2 3.67Å; Y309-F329 HydrophobicContact CD1-CG 4.33Å; Y309-F329 HydrophobicContact CD2-CD2 4.13Å; Y309-F329 HydrophobicContact CE1-CB 4.24Å; Y309-F329 HydrophobicContact CE1-CD2 4.27Å; Y309-F329 AromaticContact CG-CD2 3.58Å; Y309-F329 HydrophobicContact CG-CD2 3.58Å; Y309-F329 HydrophobicContact CG-CE2 4.05Å; T325-F329 WeakPolarHBondContact O-CB 3.42Å; T325-F329 PolarHBondContact O-N 2.81Å; W326-F329 AromaticContact CE3-CD1 3.92Å; W326-F329 HydrophobicContact CE3-CD1 3.92Å; W326-F329 HydrophobicContact CE3-CE1 4.48Å; W326-F329 AromaticContact CZ3-CD1 3.86Å; W326-F329 HydrophobicContact CZ3-CD1 3.86Å; W326-F329 AromaticContact CZ3-CE1 3.98Å; W326-F329 HydrophobicContact CZ3-CE1 3.98Å; W326-F329 PolarHBondContact O-N 3Å; F329-R331 PolarHBondContact O-N 2.95Å; F329-F332 PolarHBondContact O-N 3.25Å; F329-L333 HydrophobicContact CD2-CB 4.26Å; F329-L333 HydrophobicContact CD2-CD1 3.86Å; F329-L333 HydrophobicContact CE2-CB 4.15Å; F329-L333 HydrophobicContact CE2-CD1 3.92Å; F329-L333 WeakPolarHBondContact O-CB 3.46Å; F329-L333 PolarHBondContact O-N 3.01Å; F329-V334 HydrophobicContact CD1-CG2 3.87Å; F329-V334 HydrophobicContact CE1-CG2 3.45Å; F329-V334 VanDerWaalsContact CE1-CG2 3.45Å; F329-V334 HydrophobicContact CZ-CG2 4.06Å; F329-H356 AromaticContact CZ-CE1 3.72Å; F329-F385 HydrophobicContact CE2-CE1 4.34Å; F329-F385 AromaticContact CE2-CZ 3.86Å; F329-F385 HydrophobicContact CE2-CZ 3.86Å; F329-F385 HydrophobicContact CZ-CZ 4.36Å
330	Q	95.3	Very high	94.1	Very high	57 Å²	57	61 Å²	61	27%	0.266	29%	0.286	S	S	.	.	I	π-helix	trans	-59	-47.6	177.2	-76.3	-173.6	-51.3	0	0	111.4	W326 E327 F332 V334 K335	W326-Q330 HydrophobicContact CD2-CG 3.95Å; W326-Q330 HydrophobicContact CE3-CG 4.39Å; W326-Q330 HydrophobicContact CG-CG 4.45Å; W326-Q330 HydrophobicContact CH2-CG 4.31Å; W326-Q330 HydrophobicContact CZ2-CG 3.82Å; W326-Q330 VanDerWaalsContact CZ2-NE2 3.33Å; W326-Q330 VanDerWaalsContact NE1-OE1 3.14Å; W326-Q330 WeakPolarHBondContact O-CB 3.18Å; W326-Q330 WeakPolarHBondContact O-CG 3.43Å; W326-Q330 PolarHBondContact O-N 3.27Å; E327-Q330 PolarHBondContact O-N 3.21Å; Q330-F332 PolarHBondContact O-N 3.02Å; Q330-V334 PolarHBondContact O-N 2.84Å; Q330-V334 VanDerWaalsContact O-N 3.16Å; Q330-K335 WeakPolarHBondContact O-CG 3.04Å; Q330-K335 PolarHBondContact O-N 2.9Å
331	R	94.8	Very high	93.7	Very high	127 Å²	127	56.8 Å²	56.8	48%	0.479	26%	0.264	S	S	.	.	I	π-helix	trans	-59.9	-43.8	-178.7	-177.8	178.4	66.9	-156.8	-0.4	112.4	G59 E327 R328 F329	G59-R331 WeakPolarHBondContact CA-O 3.21Å; E327-R331 VanDerWaalsContact O-CB 3.27Å; E327-R331 WeakPolarHBondContact O-CB 3.36Å; E327-R331 PolarHBondContact O-N 2.78Å; R328-R331 PolarHBondContact O-N 3.19Å; F329-R331 PolarHBondContact O-N 2.95Å
332	F	93.9	Very high	92.9	Very high	68 Å²	68	54.5 Å²	54.5	30%	0.298	26%	0.258	S	S	.	.	I	π-helix	trans	-90.2	-34.9	-173	-70.2	-56.7	0	0	0	114.4	G59 R328 F329 Q330	G59-F332 PolarHBondContact N-O 3.17Å; R328-F332 HydrophobicContact CG-CD2 3.51Å; R328-F332 HydrophobicContact CG-CE2 3.39Å; R328-F332 WeakPolarHBondContact O-CD2 3.22Å; R328-F332 PolarHBondContact O-N 3.29Å; F329-F332 PolarHBondContact O-N 3.25Å; Q330-F332 PolarHBondContact O-N 3.02Å
333	L	95.8	Very high	91.7	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.084	25%	0.254	C	S	.	.	I	π-helix	trans	-120.2	-10	-166.2	-58.1	-178	0	0	0	114	Y309 F329 H356 V371 Y383 F385	Y309-L333 HydrophobicContact CD2-CD1 3.57Å; Y309-L333 HydrophobicContact CE2-CD1 3.68Å; Y309-L333 HydrophobicContact CG-CD1 4.39Å; F329-L333 HydrophobicContact CD2-CB 4.26Å; F329-L333 HydrophobicContact CD2-CD1 3.86Å; F329-L333 HydrophobicContact CE2-CB 4.15Å; F329-L333 HydrophobicContact CE2-CD1 3.92Å; F329-L333 WeakPolarHBondContact O-CB 3.46Å; F329-L333 PolarHBondContact O-N 3.01Å; L333-H356 PolarHBondContact O-NE2 2.82Å; L333-V371 HydrophobicContact CB-CG2 4.28Å; L333-V371 HydrophobicContact CD2-CG2 4.23Å; L333-Y383 HydrophobicContact CD1-CD1 3.84Å; L333-Y383 HydrophobicContact CD1-CE1 4.33Å; L333-Y383 HydrophobicContact CD2-CD1 3.87Å; L333-Y383 HydrophobicContact CD2-CG 4.05Å; L333-F385 HydrophobicContact CD1-CD1 4.23Å; L333-F385 HydrophobicContact CD1-CE1 3.87Å
334	V	95.1	Very high	90.3	Very high	11 Å²	11	60.1 Å²	60.1	7%	0.067	28%	0.28	C	S	.	.	I	π-helix	trans	-114.5	-57.5	-179.3	-174.3	0	0	0	0	111.5	T290 I302 F329 Q330 S336	T290-V334 WeakPolarHBondContact CB-O 3.47Å; T290-V334 PolarHBondContact OG1-O 3Å; I302-V334 HydrophobicContact CG2-CG1 4.35Å; I302-V334 HydrophobicContact CG2-CG2 3.79Å; F329-V334 HydrophobicContact CD1-CG2 3.87Å; F329-V334 HydrophobicContact CE1-CG2 3.45Å; F329-V334 VanDerWaalsContact CE1-CG2 3.45Å; F329-V334 HydrophobicContact CZ-CG2 4.06Å; Q330-V334 PolarHBondContact O-N 2.84Å; Q330-V334 VanDerWaalsContact O-N 3.16Å; V334-S336 PolarHBondContact O-N 2.78Å
335	K	94.9	Very high	88.8	Confident	127 Å²	127	64.7 Å²	64.7	55%	0.552	30%	0.297	S	S	*	.			trans	-59.8	125.5	-179.5	-69.5	-173.2	-178.8	-177.1	0	109.3	G59 T60 Q330	G59-K335 CarbonylContact C-O 3.54Å; G59-K335 WeakPolarHBondContact CA-O 3.15Å; T60-K335 HydrophobicContact CG2-CB 4.49Å; Q330-K335 WeakPolarHBondContact O-CG 3.04Å; Q330-K335 PolarHBondContact O-N 2.9Å
336	S	95.5	Very high	87	Confident	26 Å²	26	68.7 Å²	68.7	18%	0.182	32%	0.316	C	S	.	.			trans	-130.7	136.9	-179.4	-177.3	0	0	0	0	110.2	V334 L338 S354	V334-S336 PolarHBondContact O-N 2.78Å; S336-L338 WeakPolarHBondContact OG-CB 3.32Å; S336-L338 PolarHBondContact OG-N 3.17Å; S336-S354 VanDerWaalsContact CB-OG 3.29Å; S336-S354 WeakPolarHBondContact CB-OG 3.38Å; S336-S354 PolarHBondContact OG-OG 2.93Å
337	P	95.7	Very high	85.2	Confident	4 Å²	4	72 Å²	72	3%	0.026	35%	0.348	C	S	.	.			trans	-80.5	-7.8	173	35.9	-35	0	0	0	111.9	A39 L42 G59 T60 V339	A39-P337 HydrophobicContact CB-CB 3.63Å; A39-P337 HydrophobicContact CB-CG 3.91Å; A39-P337 WeakPolarHBondContact O-CB 3.28Å; L42-P337 HydrophobicContact CB-CB 4.02Å; L42-P337 HydrophobicContact CB-CG 4.15Å; L42-P337 PolarHBondContact N-O 3Å; G59-P337 WeakPolarHBondContact O-CD 3.47Å; T60-P337 HydrophobicContact CG2-CB 4.37Å; P337-V339 PolarHBondContact O-N 3.1Å
338	L	95.1	Very high	83.2	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.021	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	120.2	-170.4	-62.7	-172.7	0	0	0	111.9	L42 V44 Y47 S336 D373 L375	L42-L338 HydrophobicContact CB-CD2 4.35Å; L42-L338 HydrophobicContact CD2-CD2 4.15Å; L42-L338 HydrophobicContact CG-CD2 4.31Å; L42-L338 CarbonylContact O-C 3.59Å; L42-L338 VanDerWaalsContact O-CA 3.24Å; L42-L338 WeakPolarHBondContact O-CA 3.37Å; V44-L338 HydrophobicContact CG1-CB 4.26Å; Y47-L338 HydrophobicContact CD1-CD1 4.13Å; Y47-L338 HydrophobicContact CD1-CD2 3.7Å; Y47-L338 HydrophobicContact CG-CD2 3.88Å; S336-L338 WeakPolarHBondContact OG-CB 3.32Å; S336-L338 PolarHBondContact OG-N 3.17Å; L338-D373 HydrophobicContact CD1-CB 3.9Å; L338-D373 WeakPolarHBondContact CD1-OD1 3.34Å; L338-L375 HydrophobicContact CD1-CD2 4.05Å
339	V	92.4	Very high	81.9	Confident	38 Å²	38	72.6 Å²	72.6	23%	0.23	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.5	172.6	-61.5	0	0	0	0	110.3	R41 L42 T43 V44 P337	R41-V339 HydrophobicContact CG-CB 4.27Å; R41-V339 HydrophobicContact CG-CG1 3.76Å; R41-V339 HydrophobicContact CG-CG2 3.49Å; R41-V339 VanDerWaalsContact CG-CG2 3.49Å; L42-V339 PolarHBondContact O-N 3.05Å; T43-V339 CarbonylContact C-O 3.45Å; T43-V339 WeakPolarHBondContact CA-O 3.33Å; T43-V339 HydrophobicContact CG2-CG2 4.12Å; V44-V339 WeakPolarHBondContact CG1-O 3.12Å; V44-V339 PolarHBondContact N-O 3.23Å; P337-V339 PolarHBondContact O-N 3.1Å
340	L	89.2	Confident	80.8	Confident	36 Å²	36	76.1 Å²	76.1	19%	0.188	40%	0.395	C	S	.	.			trans	-69	144	171.4	-66.2	-176.2	0	0	0	110.4	V44 M351 F352	V44-L340 HydrophobicContact CG2-CD2 4.38Å; L340-M351 HydrophobicContact CD1-CB 4.38Å; L340-M351 HydrophobicContact CD1-CE 3.17Å; L340-M351 HydrophobicContact CD1-CG 4.5Å; L340-M351 HydrophobicContact CG-CE 4.42Å; L340-F352 HydrophobicContact CD2-CB 3.73Å; L340-F352 WeakPolarHBondContact CD2-O 3.41Å
341	D	83.9	Confident	80.3	Confident	19 Å²	19	77.9 Å²	77.9	10%	0.102	41%	0.405	C	S	.	.			trans	-64.4	163.5	161.7	-55.2	-76.3	0	0	0	110.4	T43 V44 S45 F343	T43-D341 WeakPolarHBondContact CB-OD1 3.29Å; T43-D341 PolarHBondContact OG1-OD1 3.31Å; V44-D341 WeakPolarHBondContact CG2-OD2 3.46Å; S45-D341 WeakPolarHBondContact CB-OD1 3.18Å; S45-D341 VanDerWaalsContact CB-OD2 3.23Å; S45-D341 WeakPolarHBondContact CB-OD2 3.34Å; S45-D341 PolarHBondContact N-OD2 2.97Å; S45-D341 VanDerWaalsContact N-OD2 3.11Å; S45-D341 PolarHBondContact OG-OD1 3.33Å; S45-D341 PolarHBondContact OG-OD2 2.85Å; D341-F343 HydrophobicContact CB-CD2 3.53Å; D341-F343 HydrophobicContact CB-CE2 4.07Å; D341-F343 PolarHBondContact O-N 2.9Å
342	D	75	Confident	80	Confident	80 Å²	80	73.1 Å²	73.1	43%	0.428	39%	0.387	S	S	.	.	S	Bend	trans	-67	6.9	178.9	-56.6	-32	0	0	0	114.2	C4 T5	C4-D342 PolarHBondContact SG-OD2 2.93Å; C4-D342 VanDerWaalsContact SG-OD2 3.34Å; T5-D342 PolarHBondContact N-OD2 3.15Å; T5-D342 PolarHBondContact OG1-OD1 3.4Å; T5-D342 PolarHBondContact OG1-OD2 3.15Å
343	F	68.4	Low	80	Confident	141 Å²	141	70 Å²	70	62%	0.618	37%	0.374	S	S	*	.	S	Bend	trans	-80.9	140.1	-179.8	-61.4	-69.5	0	0	0	111.4	D341 W345	D341-F343 HydrophobicContact CB-CD2 3.53Å; D341-F343 HydrophobicContact CB-CE2 4.07Å; D341-F343 PolarHBondContact O-N 2.9Å; F343-W345 VanDerWaalsContact O-CD1 3.29Å; F343-W345 PolarHBondContact O-N 3.31Å
344	E	60.8	Low	79.9	Confident	197 Å²	197	69.3 Å²	69.3	92%	0.921	37%	0.37	S	S	*	.			trans	-68.8	102.3	170.5	-72	-175.1	172.2	0	0	109.8
345	W	62.8	Low	79.8	Confident	99 Å²	99	69.3 Å²	69.3	38%	0.375	37%	0.369	S	S	.	.			trans	-85.3	133.3	169.5	-62.2	104.5	0	0	0	109.7	F343 F352 P376	F343-W345 VanDerWaalsContact O-CD1 3.29Å; F343-W345 PolarHBondContact O-N 3.31Å; W345-F352 AromaticContact CD2-CD2 3.78Å; W345-F352 HydrophobicContact CD2-CD2 3.78Å; W345-F352 AromaticContact CD2-CE2 3.58Å; W345-F352 HydrophobicContact CD2-CE2 3.58Å; W345-F352 AromaticContact CE2-CD2 3.65Å; W345-F352 AromaticContact CE2-CE2 3.71Å; W345-F352 HydrophobicContact CE3-CD2 4.14Å; W345-F352 AromaticContact CE3-CE2 3.44Å; W345-F352 HydrophobicContact CE3-CE2 3.44Å; W345-F352 VanDerWaalsContact CE3-CE2 3.44Å; W345-F352 HydrophobicContact CE3-CZ 4.37Å; W345-F352 HydrophobicContact CG-CD2 4.27Å; W345-F352 HydrophobicContact CG-CE2 4.4Å; W345-F352 HydrophobicContact CH2-CD2 4.22Å; W345-F352 AromaticContact CH2-CE2 3.56Å; W345-F352 HydrophobicContact CH2-CE2 3.56Å; W345-F352 AromaticContact CZ2-CD2 3.86Å; W345-F352 HydrophobicContact CZ2-CD2 3.86Å; W345-F352 AromaticContact CZ2-CE2 3.69Å; W345-F352 HydrophobicContact CZ2-CE2 3.69Å; W345-F352 HydrophobicContact CZ3-CD2 4.37Å; W345-F352 AromaticContact CZ3-CE2 3.46Å; W345-F352 HydrophobicContact CZ3-CE2 3.46Å; W345-F352 VanDerWaalsContact CZ3-CE2 3.46Å; W345-F352 HydrophobicContact CZ3-CZ 4.26Å; W345-P376 HydrophobicContact CH2-CB 4.15Å; W345-P376 HydrophobicContact CH2-CG 4.18Å; W345-P376 HydrophobicContact CZ2-CG 4.15Å
346	N	56.5	Low	79.8	Confident	137 Å²	137	63.3 Å²	63.3	73%	0.733	34%	0.343	S	S	*	.			trans	-56.3	137.2	-178.7	-78	-18.9	0	0	0	112.7	T348	N346-T348 VanDerWaalsContact C-N 3.3Å; N346-T348 PolarHBondContact O-N 2.99Å
347	S	57.9	Low	79.8	Confident	124 Å²	124	62.9 Å²	62.9	87%	0.867	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.3	-172.9	-177	0	0	0	0	115.8
348	T	54.5	Low	79.8	Confident	134 Å²	134	62.7 Å²	62.7	82%	0.822	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.7	-173.5	38.6	0	0	0	0	114.3	N346	N346-T348 VanDerWaalsContact C-N 3.3Å; N346-T348 PolarHBondContact O-N 2.99Å
349	S	66.3	Low	79.9	Confident	79 Å²	79	62.5 Å²	62.5	55%	0.552	34%	0.336	S	S	*	.	S	Bend	trans	-111.3	154.3	-179.5	-65.5	0	0	0	0	111.1	M351	S349-M351 PolarHBondContact O-N 3.28Å
350	P	72.8	Confident	80.2	Confident	75 Å²	75	61 Å²	61	49%	0.487	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-53.7	133.8	165.8	25.4	-33.7	0	0	0	109	L287 L374	L287-P350 HydrophobicContact CD2-CB 3.86Å; L287-P350 HydrophobicContact CD2-CG 4.23Å; P350-L374 HydrophobicContact CB-CD1 4.02Å; P350-L374 HydrophobicContact CG-CD1 3.93Å
351	M	84.3	Confident	80.6	Confident	94 Å²	94	59.7 Å²	59.7	46%	0.463	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.3	155.9	177.5	-65.5	165.9	86.1	0	0	110.5	R289 L340 S349 Y355	R289-M351 PolarHBondContact NH1-SD 2.72Å; L340-M351 HydrophobicContact CD1-CB 4.38Å; L340-M351 HydrophobicContact CD1-CE 3.17Å; L340-M351 HydrophobicContact CD1-CG 4.5Å; L340-M351 HydrophobicContact CG-CE 4.42Å; S349-M351 PolarHBondContact O-N 3.28Å; M351-Y355 VanDerWaalsContact O-CE2 3.29Å; M351-Y355 WeakPolarHBondContact O-CE2 3.46Å; M351-Y355 PolarHBondContact O-OH 2.74Å
352	F	89.9	Confident	81.3	Confident	27 Å²	27	61 Å²	61	12%	0.118	33%	0.327	C	S	.	.	S	Bend	trans	-65.4	152.1	169	-62.6	-53	0	0	0	111.8	V44 R289 L340 W345 L374 L375 P376	V44-F352 HydrophobicContact CB-CB 4.08Å; V44-F352 HydrophobicContact CG1-CB 3.81Å; V44-F352 HydrophobicContact CG2-CB 3.89Å; V44-F352 HydrophobicContact CG2-CD2 4.31Å; V44-F352 HydrophobicContact CG2-CG 4.43Å; R289-F352 PolarHBondContact NH2-O 2.95Å; L340-F352 HydrophobicContact CD2-CB 3.73Å; L340-F352 WeakPolarHBondContact CD2-O 3.41Å; W345-F352 AromaticContact CD2-CD2 3.78Å; W345-F352 HydrophobicContact CD2-CD2 3.78Å; W345-F352 AromaticContact CD2-CE2 3.58Å; W345-F352 HydrophobicContact CD2-CE2 3.58Å; W345-F352 AromaticContact CE2-CD2 3.65Å; W345-F352 AromaticContact CE2-CE2 3.71Å; W345-F352 HydrophobicContact CE3-CD2 4.14Å; W345-F352 AromaticContact CE3-CE2 3.44Å; W345-F352 HydrophobicContact CE3-CE2 3.44Å; W345-F352 VanDerWaalsContact CE3-CE2 3.44Å; W345-F352 HydrophobicContact CE3-CZ 4.37Å; W345-F352 HydrophobicContact CG-CD2 4.27Å; W345-F352 HydrophobicContact CG-CE2 4.4Å; W345-F352 HydrophobicContact CH2-CD2 4.22Å; W345-F352 AromaticContact CH2-CE2 3.56Å; W345-F352 HydrophobicContact CH2-CE2 3.56Å; W345-F352 AromaticContact CZ2-CD2 3.86Å; W345-F352 HydrophobicContact CZ2-CD2 3.86Å; W345-F352 AromaticContact CZ2-CE2 3.69Å; W345-F352 HydrophobicContact CZ2-CE2 3.69Å; W345-F352 HydrophobicContact CZ3-CD2 4.37Å; W345-F352 AromaticContact CZ3-CE2 3.46Å; W345-F352 HydrophobicContact CZ3-CE2 3.46Å; W345-F352 VanDerWaalsContact CZ3-CE2 3.46Å; W345-F352 HydrophobicContact CZ3-CZ 4.26Å; F352-L374 WeakPolarHBondContact CA-O 3.47Å; F352-L374 VanDerWaalsContact CB-O 3.29Å; F352-L374 WeakPolarHBondContact CB-O 3.39Å; F352-L374 HydrophobicContact CD1-CB 4.1Å; F352-L374 WeakPolarHBondContact CD1-O 3.41Å; F352-L375 VanDerWaalsContact CE1-C 3.46Å; F352-L375 VanDerWaalsContact CE1-O 3.27Å; F352-L375 WeakPolarHBondContact CE1-O 3.22Å; F352-P376 HydrophobicContact CD2-CG 4.1Å; F352-P376 HydrophobicContact CE2-CB 4.22Å; F352-P376 HydrophobicContact CE2-CG 4.03Å; F352-P376 HydrophobicContact CZ-CB 4.34Å; F352-P376 HydrophobicContact CZ-CG 4.49Å
353	G	92.7	Very high	82.2	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136.8	-163.6	-177.8	0	0	0	0	0	113	Y355 D373 L374	G353-Y355 VanDerWaalsContact O-CD2 3.3Å; G353-Y355 WeakPolarHBondContact O-CD2 3.29Å; G353-Y355 WeakPolarHBondContact O-CE2 3.3Å; G353-D373 WeakPolarHBondContact O-CA 3.27Å; G353-L374 PolarHBondContact N-O 3.26Å; G353-L374 PolarHBondContact O-N 2.88Å
354	S	94.6	Very high	83.6	Confident	2 Å²	2	57 Å²	57	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.9	-174.6	-57.5	0	0	0	0	113.1	R57 T290 S336 I372 D373	R57-S354 PolarHBondContact NH2-OG 3.45Å; T290-S354 PolarHBondContact N-O 3.42Å; T290-S354 WeakPolarHBondContact OG1-CB 3.47Å; T290-S354 PolarHBondContact OG1-O 2.8Å; S336-S354 VanDerWaalsContact CB-OG 3.29Å; S336-S354 WeakPolarHBondContact CB-OG 3.38Å; S336-S354 PolarHBondContact OG-OG 2.93Å; S354-I372 WeakPolarHBondContact CA-O 3.45Å; S354-D373 WeakPolarHBondContact CA-OD1 3.41Å; S354-D373 VanDerWaalsContact CB-OD1 3.31Å; S354-D373 WeakPolarHBondContact CB-OD1 3.36Å; S354-D373 PolarHBondContact OG-OD1 3.35Å
355	Y	93.5	Very high	85.3	Confident	12 Å²	12	50.1 Å²	50.1	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.9	-174.2	-65	-93.8	0	0	0	112.3	L287 I288 R289 M351 G353 I372 L374	L287-Y355 HydrophobicContact CD1-CD1 3.93Å; L287-Y355 HydrophobicContact CD1-CG 3.87Å; L287-Y355 HydrophobicContact CD2-CD1 3.92Å; L287-Y355 HydrophobicContact CD2-CE1 4.13Å; L287-Y355 HydrophobicContact CD2-CG 4.33Å; L287-Y355 HydrophobicContact CG-CD1 3.52Å; L287-Y355 HydrophobicContact CG-CE1 4.15Å; L287-Y355 HydrophobicContact CG-CG 3.98Å; I288-Y355 CarbonylContact O-C 3.6Å; I288-Y355 VanDerWaalsContact O-CA 3.25Å; I288-Y355 WeakPolarHBondContact O-CA 3.2Å; R289-Y355 VanDerWaalsContact CA-CD1 3.42Å; R289-Y355 HydrophobicContact CB-CD1 3.87Å; R289-Y355 HydrophobicContact CB-CE1 3.48Å; R289-Y355 VanDerWaalsContact CB-CE1 3.48Å; R289-Y355 HydrophobicContact CG-CD1 4.28Å; R289-Y355 HydrophobicContact CG-CE1 3.73Å; M351-Y355 VanDerWaalsContact O-CE2 3.29Å; M351-Y355 WeakPolarHBondContact O-CE2 3.46Å; M351-Y355 PolarHBondContact O-OH 2.74Å; G353-Y355 VanDerWaalsContact O-CD2 3.3Å; G353-Y355 WeakPolarHBondContact O-CD2 3.29Å; G353-Y355 WeakPolarHBondContact O-CE2 3.3Å; Y355-I372 PolarHBondContact N-O 2.9Å; Y355-I372 PolarHBondContact O-N 2.92Å; Y355-L374 HydrophobicContact CD2-CD1 3.93Å; Y355-L374 HydrophobicContact CD2-CG 3.97Å; Y355-L374 HydrophobicContact CE2-CB 4.39Å; Y355-L374 HydrophobicContact CE2-CD1 3.82Å; Y355-L374 HydrophobicContact CE2-CG 4.14Å
356	H	95	Very high	87	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.7	156.2	-74.3	-169.5	0	0	0	107.9	I288 S305 F329 L333 Q358 V369 G370	I288-H356 HydrophobicContact CB-CB 4.44Å; I288-H356 PolarHBondContact N-O 3.21Å; I288-H356 PolarHBondContact O-N 2.9Å; S305-H356 PolarHBondContact OG-ND1 3.06Å; F329-H356 AromaticContact CZ-CE1 3.72Å; L333-H356 PolarHBondContact O-NE2 2.82Å; H356-Q358 HydrophobicContact CB-CG 4.44Å; H356-Q358 PolarHBondContact O-N 3.27Å; H356-V369 HydrophobicContact CB-CG1 3.82Å; H356-G370 CarbonylContact C-O 3.58Å; H356-G370 WeakPolarHBondContact CA-O 3.27Å
357	Q	94.9	Very high	89	Confident	17 Å²	17	39.3 Å²	39.3	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	102.7	167	-175.6	168.6	-33.6	0	0	108.7	I285 L287 Y359 V369 G370 I372 Y403	I285-Q357 HydrophobicContact CG2-CG 3.61Å; L287-Q357 HydrophobicContact CD1-CB 4.02Å; L287-Q357 HydrophobicContact CD1-CG 4.47Å; Q357-Y359 HydrophobicContact CG-CE2 3.94Å; Q357-Y359 PolarHBondContact NE2-OH 2.65Å; Q357-Y359 WeakPolarHBondContact O-CD2 3.14Å; Q357-Y359 WeakPolarHBondContact O-CE2 3.31Å; Q357-V369 WeakPolarHBondContact O-CA 3.15Å; Q357-G370 PolarHBondContact N-O 3.31Å; Q357-G370 PolarHBondContact O-N 3.44Å; Q357-I372 HydrophobicContact CB-CD1 4.22Å; Q357-Y403 HydrophobicContact CB-CE1 4.45Å; Q357-Y403 VanDerWaalsContact OE1-CE1 3.31Å
358	Q	95.6	Very high	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.2	-177.3	-68.5	-171.8	-22.5	0	0	111.3	I285 R286 I288 R301 S305 H356 L366 V369	I285-Q358 WeakPolarHBondContact CA-O 3.49Å; R286-Q358 HydrophobicContact CB-CB 4.39Å; R286-Q358 PolarHBondContact N-O 2.57Å; R286-Q358 PolarHBondContact O-N 2.72Å; I288-Q358 HydrophobicContact CG1-CG 4.32Å; R301-Q358 PolarHBondContact O-NE2 3.13Å; S305-Q358 PolarHBondContact OG-NE2 2.6Å; H356-Q358 HydrophobicContact CB-CG 4.44Å; H356-Q358 PolarHBondContact O-N 3.27Å; Q358-L366 HydrophobicContact CB-CD1 3.6Å; Q358-L366 HydrophobicContact CG-CD1 3.95Å; Q358-V369 HydrophobicContact CG-CG2 4.34Å
359	Y	97.4	Very high	93	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.7	177.6	-63.9	-99.7	0	0	0	109.6	I283 I285 Q357 I367 A368 Y398 T399 R402	I283-Y359 HydrophobicContact CG2-CD1 4.07Å; I285-Y359 HydrophobicContact CD1-CD1 4.22Å; I285-Y359 HydrophobicContact CD1-CE1 3.85Å; I285-Y359 HydrophobicContact CG1-CD1 3.97Å; I285-Y359 HydrophobicContact CG1-CE1 4.07Å; Q357-Y359 HydrophobicContact CG-CE2 3.94Å; Q357-Y359 PolarHBondContact NE2-OH 2.65Å; Q357-Y359 WeakPolarHBondContact O-CD2 3.14Å; Q357-Y359 WeakPolarHBondContact O-CE2 3.31Å; Y359-I367 WeakPolarHBondContact O-CG1 3.29Å; Y359-I367 PolarHBondContact O-N 3.08Å; Y359-A368 HydrophobicContact CD2-CB 3.99Å; Y359-A368 HydrophobicContact CG-CB 4.27Å; Y359-A368 PolarHBondContact N-O 2.83Å; Y359-Y398 HydrophobicContact CD1-CD1 4.44Å; Y359-Y398 AromaticContact CD1-CE1 3.96Å; Y359-Y398 HydrophobicContact CD1-CE1 3.96Å; Y359-Y398 HydrophobicContact CE1-CD1 4.28Å; Y359-Y398 AromaticContact CE1-CE1 3.9Å; Y359-Y398 HydrophobicContact CE1-CE1 3.9Å; Y359-T399 HydrophobicContact CD2-CG2 3.79Å; Y359-T399 HydrophobicContact CE1-CG2 4.23Å; Y359-T399 HydrophobicContact CE2-CG2 3.27Å; Y359-T399 HydrophobicContact CG-CG2 4.46Å; Y359-T399 VanDerWaalsContact CZ-CG2 3.49Å; Y359-T399 WeakPolarHBondContact OH-CA 3.45Å; Y359-T399 PolarHBondContact OH-O 2.95Å; Y359-R402 HydrophobicContact CE1-CB 4.22Å; Y359-R402 HydrophobicContact CE1-CG 4.08Å; Y359-R402 WeakPolarHBondContact OH-CB 3.5Å
360	W	97.7	Very high	94.4	Very high	5 Å²	5	23.3 Å²	23.3	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.5	-175.5	-68.8	77.9	0	0	0	110.4	F141 I283 E284 L304 E364 K365 L366	F141-W360 HydrophobicContact CZ-CH2 4.44Å; F141-W360 HydrophobicContact CZ-CZ3 4.25Å; I283-W360 WeakPolarHBondContact CA-O 3.47Å; E284-W360 HydrophobicContact CB-CB 4.19Å; E284-W360 PolarHBondContact N-O 2.96Å; E284-W360 WeakPolarHBondContact O-CB 3.4Å; E284-W360 PolarHBondContact O-N 3.19Å; L304-W360 HydrophobicContact CD1-CH2 3.6Å; L304-W360 HydrophobicContact CD1-CZ2 4.25Å; W360-E364 WeakPolarHBondContact CZ3-O 3.27Å; W360-K365 CarbonylContact C-O 3.42Å; W360-K365 WeakPolarHBondContact CA-O 3.03Å; W360-L366 HydrophobicContact CD2-CB 4.33Å; W360-L366 HydrophobicContact CD2-CD1 4.46Å; W360-L366 HydrophobicContact CE3-CB 4.43Å; W360-L366 HydrophobicContact CG-CD1 4.48Å; W360-L366 HydrophobicContact CH2-CB 4.5Å; W360-L366 HydrophobicContact CZ2-CB 4.37Å
361	L	98.3	Very high	95.5	Very high	9 Å²	9	19.9 Å²	19.9	5%	0.047	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.8	170	-173.6	66.6	0	0	0	109.2	F100 L101 H281 I283 G363 E364 K365 I367 Y390	F100-L361 HydrophobicContact CE1-CD1 3.74Å; F100-L361 HydrophobicContact CE1-CD2 4.3Å; F100-L361 HydrophobicContact CZ-CD1 4.32Å; F100-L361 HydrophobicContact CZ-CD2 4.15Å; L101-L361 HydrophobicContact CD2-CD1 4.08Å; H281-L361 HydrophobicContact CB-CD1 3.76Å; I283-L361 HydrophobicContact CD1-CB 4.44Å; I283-L361 HydrophobicContact CD1-CD1 3.87Å; L361-G363 PolarHBondContact O-N 2.87Å; L361-G363 VanDerWaalsContact O-N 3.07Å; L361-E364 PolarHBondContact O-N 2.76Å; L361-E364 VanDerWaalsContact O-N 3.08Å; L361-K365 PolarHBondContact N-O 3.25Å; L361-K365 PolarHBondContact O-N 2.71Å; L361-I367 HydrophobicContact CB-CD1 4.28Å; L361-I367 HydrophobicContact CB-CG1 4.46Å; L361-I367 HydrophobicContact CB-CG2 3.83Å; L361-I367 HydrophobicContact CD2-CG2 4.43Å; L361-Y390 HydrophobicContact CD2-CE1 3.57Å
362	D	97.8	Very high	96	Very high	47 Å²	47	15.5 Å²	15.5	25%	0.251	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	19.6	-179.2	-57.6	-38.8	0	0	0	114.9	H281 F282 E364	H281-D362 WeakPolarHBondContact CA-OD1 3.37Å; H281-D362 WeakPolarHBondContact CB-OD1 3.39Å; H281-D362 IonicContact CE1-OD2 3.86Å; H281-D362 IonicContact CG-OD1 3.38Å; H281-D362 IonicContact CG-OD2 2.72Å; H281-D362 IonicContact ND1-OD1 2.8Å; H281-D362 IonicContact ND1-OD2 3.3Å; H281-D362 PolarHBondContact ND1-OD2 2.89Å; F282-D362 HydrophobicContact CD1-CB 4.43Å; F282-D362 HydrophobicContact CE1-CB 4.05Å; F282-D362 WeakPolarHBondContact CZ-O 3.29Å; F282-D362 PolarHBondContact N-OD1 3.01Å; F282-D362 PolarHBondContact O-N 3.3Å; D362-E364 PolarHBondContact O-N 2.89Å
363	G	95.2	Very high	96.3	Very high	15 Å²	15	14.2 Å²	14.2	16%	0.155	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	0.3	-174.6	0	0	0	0	0	114.7	E284 R286 L361	E284-G363 VanDerWaalsContact OE2-CA 3.26Å; E284-G363 WeakPolarHBondContact OE2-CA 3.39Å; R286-G363 PolarHBondContact NH2-O 3.29Å; R286-G363 VanDerWaalsContact NH2-O 3.11Å; L361-G363 PolarHBondContact O-N 2.87Å; L361-G363 VanDerWaalsContact O-N 3.07Å
364	E	96.2	Very high	96.2	Very high	121 Å²	121	15 Å²	15	57%	0.565	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-40.3	-171.4	-68	-176.6	-178.9	0	0	113.2	W360 L361 D362	W360-E364 WeakPolarHBondContact CZ3-O 3.27Å; L361-E364 PolarHBondContact O-N 2.76Å; L361-E364 VanDerWaalsContact O-N 3.08Å; D362-E364 PolarHBondContact O-N 2.89Å
365	K	97.3	Very high	96.1	Very high	53 Å²	53	15 Å²	15	23%	0.23	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.8	-174.5	-173.4	176.4	176.9	-173.6	0	111.8	W360 L361 I367 D387 Y390	W360-K365 CarbonylContact C-O 3.42Å; W360-K365 WeakPolarHBondContact CA-O 3.03Å; L361-K365 PolarHBondContact N-O 3.25Å; L361-K365 PolarHBondContact O-N 2.71Å; K365-I367 HydrophobicContact CD-CG2 4.43Å; K365-I367 HydrophobicContact CG-CG2 4.19Å; K365-I367 PolarHBondContact O-N 2.87Å; K365-D387 WeakPolarHBondContact CE-OD2 3.41Å; K365-D387 IonicContact NZ-OD2 2.72Å; K365-D387 PolarHBondContact NZ-OD2 3.32Å; K365-Y390 HydrophobicContact CD-CE2 4.21Å; K365-Y390 WeakPolarHBondContact CD-OH 3.44Å; K365-Y390 VanDerWaalsContact NZ-CE2 3.33Å; K365-Y390 PolarHBondContact NZ-OH 2.86Å
366	L	98.1	Very high	95.9	Very high	10 Å²	10	15.7 Å²	15.7	5%	0.052	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	120.4	170.3	-177	61.1	0	0	0	110.3	L304 I308 Q358 W360 A368 V369	L304-L366 HydrophobicContact CB-CD2 4.06Å; I308-L366 WeakPolarHBondContact CD1-O 3.33Å; I308-L366 HydrophobicContact CG1-CD2 3.97Å; I308-L366 HydrophobicContact CG1-CG 4.07Å; Q358-L366 HydrophobicContact CB-CD1 3.6Å; Q358-L366 HydrophobicContact CG-CD1 3.95Å; W360-L366 HydrophobicContact CD2-CB 4.33Å; W360-L366 HydrophobicContact CD2-CD1 4.46Å; W360-L366 HydrophobicContact CE3-CB 4.43Å; W360-L366 HydrophobicContact CG-CD1 4.48Å; W360-L366 HydrophobicContact CH2-CB 4.5Å; W360-L366 HydrophobicContact CZ2-CB 4.37Å; L366-A368 WeakPolarHBondContact CD1-O 3.38Å; L366-V369 HydrophobicContact CD1-CG2 4.09Å; L366-V369 HydrophobicContact CD2-CG2 3.86Å; L366-V369 HydrophobicContact CG-CG2 4.19Å
367	I	98.2	Very high	95.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-21.4	-178.1	63.4	163.7	0	0	0	114	I283 Y359 L361 K365 Y386 D387 Y390 L393 L395	I283-I367 HydrophobicContact CD1-CD1 3.82Å; Y359-I367 WeakPolarHBondContact O-CG1 3.29Å; Y359-I367 PolarHBondContact O-N 3.08Å; L361-I367 HydrophobicContact CB-CD1 4.28Å; L361-I367 HydrophobicContact CB-CG1 4.46Å; L361-I367 HydrophobicContact CB-CG2 3.83Å; L361-I367 HydrophobicContact CD2-CG2 4.43Å; K365-I367 HydrophobicContact CD-CG2 4.43Å; K365-I367 HydrophobicContact CG-CG2 4.19Å; K365-I367 PolarHBondContact O-N 2.87Å; I367-Y386 CarbonylContact O-C 3.6Å; I367-Y386 VanDerWaalsContact O-CA 3.32Å; I367-Y386 WeakPolarHBondContact O-CA 3.32Å; I367-Y386 VanDerWaalsContact O-CB 3.28Å; I367-Y386 WeakPolarHBondContact O-CB 3.4Å; I367-D387 PolarHBondContact O-N 3.2Å; I367-Y390 HydrophobicContact CB-CD2 4Å; I367-Y390 HydrophobicContact CB-CE2 4.25Å; I367-Y390 HydrophobicContact CB-CG 4.34Å; I367-Y390 HydrophobicContact CG2-CD1 4.47Å; I367-Y390 HydrophobicContact CG2-CD2 3.67Å; I367-Y390 HydrophobicContact CG2-CE1 4.29Å; I367-Y390 HydrophobicContact CG2-CE2 3.41Å; I367-Y390 VanDerWaalsContact CG2-CE2 3.41Å; I367-Y390 HydrophobicContact CG2-CG 4.19Å; I367-L393 HydrophobicContact CD1-CD1 4.46Å; I367-L395 HydrophobicContact CB-CD1 4.49Å; I367-L395 HydrophobicContact CD1-CD1 4.34Å; I367-L395 HydrophobicContact CD1-CD2 4.16Å
368	A	98.5	Very high	95.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.7	174.2	0	0	0	0	0	111.6	Y359 L366 L395 T399	Y359-A368 HydrophobicContact CD2-CB 3.99Å; Y359-A368 HydrophobicContact CG-CB 4.27Å; Y359-A368 PolarHBondContact N-O 2.83Å; L366-A368 WeakPolarHBondContact CD1-O 3.38Å; A368-L395 HydrophobicContact CB-CB 4.21Å; A368-L395 HydrophobicContact CB-CD1 4.2Å; A368-T399 HydrophobicContact CB-CG2 4.22Å
369	V	98	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.5	172.8	-174.6	0	0	0	0	109.2	H356 Q357 Q358 L366 V384 F385	H356-V369 HydrophobicContact CB-CG1 3.82Å; Q357-V369 WeakPolarHBondContact O-CA 3.15Å; Q358-V369 HydrophobicContact CG-CG2 4.34Å; L366-V369 HydrophobicContact CD1-CG2 4.09Å; L366-V369 HydrophobicContact CD2-CG2 3.86Å; L366-V369 HydrophobicContact CG-CG2 4.19Å; V369-V384 WeakPolarHBondContact O-CA 3.42Å; V369-F385 HydrophobicContact CB-CD2 4.08Å; V369-F385 HydrophobicContact CB-CE1 4.01Å; V369-F385 HydrophobicContact CB-CE2 3.45Å; V369-F385 VanDerWaalsContact CB-CE2 3.45Å; V369-F385 HydrophobicContact CB-CZ 3.43Å; V369-F385 VanDerWaalsContact CB-CZ 3.43Å; V369-F385 HydrophobicContact CG1-CE1 4.08Å; V369-F385 HydrophobicContact CG1-CE2 4.11Å; V369-F385 HydrophobicContact CG1-CZ 3.58Å; V369-F385 HydrophobicContact CG2-CD2 4.35Å; V369-F385 HydrophobicContact CG2-CE2 3.58Å; V369-F385 HydrophobicContact CG2-CZ 3.94Å; V369-F385 PolarHBondContact N-O 2.61Å; V369-F385 PolarHBondContact O-N 3.21Å; V369-F385 VanDerWaalsContact O-N 3.12Å
370	G	96.6	Very high	95.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.5	166.6	0	0	0	0	0	111.2	H356 Q357 Y403	H356-G370 CarbonylContact C-O 3.58Å; H356-G370 WeakPolarHBondContact CA-O 3.27Å; Q357-G370 PolarHBondContact N-O 3.31Å; Q357-G370 PolarHBondContact O-N 3.44Å; G370-Y403 WeakPolarHBondContact CA-OH 3.34Å
371	V	96.3	Very high	94.8	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.024	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.1	169.5	-173.8	0	0	0	0	107.5	L333 V382 Y383 F385	L333-V371 HydrophobicContact CB-CG2 4.28Å; L333-V371 HydrophobicContact CD2-CG2 4.23Å; V371-V382 HydrophobicContact CB-CB 4.41Å; V371-V382 HydrophobicContact CG1-CB 4.16Å; V371-V382 HydrophobicContact CG1-CG1 4.49Å; V371-V382 WeakPolarHBondContact O-CB 3.28Å; V371-V382 PolarHBondContact O-N 2.81Å; V371-Y383 PolarHBondContact N-O 2.77Å; V371-Y383 PolarHBondContact O-N 2.93Å; V371-F385 HydrophobicContact CG2-CE1 3.76Å
372	I	94.8	Very high	94.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.4	-173.7	66.9	175.4	0	0	0	112.1	L287 S354 Y355 Q357 L374 L379 S380 Y403	L287-I372 HydrophobicContact CD1-CD1 3.97Å; S354-I372 WeakPolarHBondContact CA-O 3.45Å; Y355-I372 PolarHBondContact N-O 2.9Å; Y355-I372 PolarHBondContact O-N 2.92Å; Q357-I372 HydrophobicContact CB-CD1 4.22Å; I372-L374 HydrophobicContact CD1-CD2 4.08Å; I372-L379 HydrophobicContact CB-CD2 4.28Å; I372-L379 HydrophobicContact CB-CG 4.49Å; I372-L379 HydrophobicContact CD1-CD1 4.13Å; I372-L379 HydrophobicContact CG2-CD2 4.13Å; I372-S380 CarbonylContact C-O 3.56Å; I372-S380 WeakPolarHBondContact CA-O 3.41Å; I372-Y403 HydrophobicContact CD1-CE1 4.42Å; I372-Y403 HydrophobicContact CG2-CD1 4.29Å; I372-Y403 HydrophobicContact CG2-CE1 3.53Å; I372-Y403 HydrophobicContact CG2-CE2 4.06Å; I372-Y403 VanDerWaalsContact CG2-CZ 3.4Å; I372-Y403 WeakPolarHBondContact CG2-OH 3.23Å
373	D	94.7	Very high	94.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.7	162.2	-59.6	-44.1	0	0	0	110.5	R57 L338 G353 S354 L375 L379 S380 V382	R57-D373 IonicContact CZ-OD1 3.47Å; R57-D373 IonicContact CZ-OD2 3.21Å; R57-D373 IonicContact NE-OD1 3.66Å; R57-D373 IonicContact NE-OD2 2.71Å; R57-D373 PolarHBondContact NE-OD2 2.88Å; R57-D373 IonicContact NH2-OD1 2.6Å; R57-D373 PolarHBondContact NH2-OD1 3.07Å; R57-D373 IonicContact NH2-OD2 2.89Å; R57-D373 PolarHBondContact NH2-OD2 3.24Å; L338-D373 HydrophobicContact CD1-CB 3.9Å; L338-D373 WeakPolarHBondContact CD1-OD1 3.34Å; G353-D373 WeakPolarHBondContact O-CA 3.27Å; S354-D373 WeakPolarHBondContact CA-OD1 3.41Å; S354-D373 VanDerWaalsContact CB-OD1 3.31Å; S354-D373 WeakPolarHBondContact CB-OD1 3.36Å; S354-D373 PolarHBondContact OG-OD1 3.35Å; D373-L375 HydrophobicContact CB-CD2 4.21Å; D373-L375 HydrophobicContact CB-CG 4.18Å; D373-L379 CarbonylContact O-C 3.49Å; D373-L379 WeakPolarHBondContact O-CA 3.5Å; D373-S380 PolarHBondContact N-O 2.81Å; D373-S380 PolarHBondContact O-N 3.13Å; D373-V382 WeakPolarHBondContact OD2-CG2 3.42Å
374	L	92.3	Very high	94.6	Very high	19 Å²	19	20.2 Å²	20.2	10%	0.099	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.5	167	-58.6	-177.6	0	0	0	107.7	L287 P350 F352 G353 Y355 I372 L379	L287-L374 HydrophobicContact CD2-CD1 4.32Å; P350-L374 HydrophobicContact CB-CD1 4.02Å; P350-L374 HydrophobicContact CG-CD1 3.93Å; F352-L374 WeakPolarHBondContact CA-O 3.47Å; F352-L374 VanDerWaalsContact CB-O 3.29Å; F352-L374 WeakPolarHBondContact CB-O 3.39Å; F352-L374 HydrophobicContact CD1-CB 4.1Å; F352-L374 WeakPolarHBondContact CD1-O 3.41Å; G353-L374 PolarHBondContact N-O 3.26Å; G353-L374 PolarHBondContact O-N 2.88Å; Y355-L374 HydrophobicContact CD2-CD1 3.93Å; Y355-L374 HydrophobicContact CD2-CG 3.97Å; Y355-L374 HydrophobicContact CE2-CB 4.39Å; Y355-L374 HydrophobicContact CE2-CD1 3.82Å; Y355-L374 HydrophobicContact CE2-CG 4.14Å; I372-L374 HydrophobicContact CD1-CD2 4.08Å; L374-L379 HydrophobicContact CD2-CB 4.47Å; L374-L379 HydrophobicContact CD2-CD1 3.65Å; L374-L379 HydrophobicContact CD2-CG 3.99Å
375	L	92.5	Very high	94.7	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	7%	0.067	C	C	.	.			trans	-121.2	161.8	-179.7	-54.9	177.8	0	0	0	110.8	V44 Y47 Q48 I51 L338 F352 D373 R377 C378	V44-L375 HydrophobicContact CB-CD2 4.11Å; V44-L375 HydrophobicContact CG1-CD2 4.22Å; Y47-L375 HydrophobicContact CD1-CD1 3.61Å; Y47-L375 HydrophobicContact CD1-CD2 3.79Å; Y47-L375 HydrophobicContact CD1-CG 4.34Å; Y47-L375 HydrophobicContact CE1-CD1 3.91Å; Y47-L375 HydrophobicContact CG-CD1 4.47Å; Q48-L375 VanDerWaalsContact OE1-CB 3.27Å; I51-L375 HydrophobicContact CG2-CD1 4.1Å; L338-L375 HydrophobicContact CD1-CD2 4.05Å; F352-L375 VanDerWaalsContact CE1-C 3.46Å; F352-L375 VanDerWaalsContact CE1-O 3.27Å; F352-L375 WeakPolarHBondContact CE1-O 3.22Å; D373-L375 HydrophobicContact CB-CD2 4.21Å; D373-L375 HydrophobicContact CB-CG 4.18Å; L375-R377 PolarHBondContact O-N 3.03Å; L375-C378 WeakPolarHBondContact CA-O 3.39Å; L375-C378 VanDerWaalsContact CB-O 3.32Å; L375-C378 WeakPolarHBondContact CB-O 3.36Å; L375-C378 PolarHBondContact N-O 2.72Å; L375-C378 PolarHBondContact O-N 2.9Å; L375-C378 VanDerWaalsContact O-O 3.13Å
376	P	89.3	Confident	94.7	Very high	25 Å²	25	12.1 Å²	12.1	16%	0.162	6%	0.057	C	C	.	.	S	Bend	trans	-57	-21.6	-174.5	-30	36.6	0	0	0	117.1	V44 W345 F352 F410	V44-P376 HydrophobicContact CG2-CG 4.15Å; W345-P376 HydrophobicContact CH2-CB 4.15Å; W345-P376 HydrophobicContact CH2-CG 4.18Å; W345-P376 HydrophobicContact CZ2-CG 4.15Å; F352-P376 HydrophobicContact CD2-CG 4.1Å; F352-P376 HydrophobicContact CE2-CB 4.22Å; F352-P376 HydrophobicContact CE2-CG 4.03Å; F352-P376 HydrophobicContact CZ-CB 4.34Å; F352-P376 HydrophobicContact CZ-CG 4.49Å; P376-F410 WeakPolarHBondContact O-CE1 3.31Å
377	R	89.5	Confident	94.7	Very high	108 Å²	108	12.3 Å²	12.3	41%	0.408	6%	0.058	S	C	.	.	S	Bend	trans	-127.8	-5.2	177.4	-69.4	-174	-72.7	113.8	-4.7	113.8	Q48 D52 L375 E411	Q48-R377 HydrophobicContact CG-CB 4.33Å; D52-R377 IonicContact OD1-NH1 3.73Å; D52-R377 IonicContact OD1-NH2 3.96Å; D52-R377 IonicContact OD2-CZ 3.12Å; D52-R377 IonicContact OD2-NH1 2.77Å; D52-R377 PolarHBondContact OD2-NH1 3.29Å; D52-R377 IonicContact OD2-NH2 2.61Å; D52-R377 PolarHBondContact OD2-NH2 3.08Å; L375-R377 PolarHBondContact O-N 3.03Å; R377-E411 PolarHBondContact O-N 3.5Å
378	C	90.8	Very high	94.6	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160.5	-176.5	68.5	0	0	0	0	115.3	Q48 L375 E411 F413	Q48-C378 PolarHBondContact NE2-SG 3.38Å; Q48-C378 PolarHBondContact OE1-SG 2.91Å; L375-C378 WeakPolarHBondContact CA-O 3.39Å; L375-C378 VanDerWaalsContact CB-O 3.32Å; L375-C378 WeakPolarHBondContact CB-O 3.36Å; L375-C378 PolarHBondContact N-O 2.72Å; L375-C378 PolarHBondContact O-N 2.9Å; L375-C378 VanDerWaalsContact O-O 3.13Å; C378-E411 CarbonylContact C-O 3.53Å; C378-E411 WeakPolarHBondContact CA-O 3.29Å; C378-E411 HydrophobicContact CB-CB 4.43Å; C378-E411 WeakPolarHBondContact CB-O 3.2Å; C378-F413 HydrophobicContact CB-CD2 3.27Å; C378-F413 HydrophobicContact CB-CE2 3.23Å; C378-F413 HydrophobicContact CB-CG 4.32Å; C378-F413 HydrophobicContact CB-CZ 4.24Å
379	L	91.8	Very high	94.5	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.2	165.7	-177.3	154.5	0	0	0	109.1	I372 D373 L374 Y403 N407 E411 V412 F413	I372-L379 HydrophobicContact CB-CD2 4.28Å; I372-L379 HydrophobicContact CB-CG 4.49Å; I372-L379 HydrophobicContact CD1-CD1 4.13Å; I372-L379 HydrophobicContact CG2-CD2 4.13Å; D373-L379 CarbonylContact O-C 3.49Å; D373-L379 WeakPolarHBondContact O-CA 3.5Å; L374-L379 HydrophobicContact CD2-CB 4.47Å; L374-L379 HydrophobicContact CD2-CD1 3.65Å; L374-L379 HydrophobicContact CD2-CG 3.99Å; L379-Y403 HydrophobicContact CD1-CD1 4.19Å; L379-Y403 HydrophobicContact CD1-CG 4.24Å; L379-Y403 HydrophobicContact CD2-CD1 4.28Å; L379-Y403 HydrophobicContact CD2-CD2 3.97Å; L379-Y403 HydrophobicContact CD2-CG 3.84Å; L379-N407 WeakPolarHBondContact CD1-ND2 3.32Å; L379-E411 PolarHBondContact N-O 2.66Å; L379-V412 HydrophobicContact CB-CG2 4.45Å; L379-V412 HydrophobicContact CD2-CG1 4.28Å; L379-F413 WeakPolarHBondContact O-CA 3.24Å; L379-F413 PolarHBondContact O-N 3.34Å
380	S	93.1	Very high	94.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.8	172.6	-177.7	0	0	0	0	110.3	I372 D373 V382 F413 I415	I372-S380 CarbonylContact C-O 3.56Å; I372-S380 WeakPolarHBondContact CA-O 3.41Å; D373-S380 PolarHBondContact N-O 2.81Å; D373-S380 PolarHBondContact O-N 3.13Å; S380-V382 PolarHBondContact O-N 3.47Å; S380-F413 CarbonylContact C-O 3.55Å; S380-F413 WeakPolarHBondContact CA-O 3.2Å; S380-I415 WeakPolarHBondContact OG-CD1 3.19Å
381	S	92.3	Very high	94.3	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.035	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	96.5	168.2	170.6	0	0	0	0	108.8	F413 I415	S381-F413 PolarHBondContact N-O 2.69Å; S381-I415 CarbonylContact O-C 3.53Å; S381-I415 WeakPolarHBondContact O-CA 3.48Å; S381-I415 WeakPolarHBondContact O-CB 3.36Å; S381-I415 PolarHBondContact O-N 3.36Å; S381-I415 VanDerWaalsContact O-O 3.12Å
382	V	93.3	Very high	94.2	Very high	11 Å²	11	19.3 Å²	19.3	7%	0.067	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-46	-173.7	179.4	0	0	0	0	111.8	V371 D373 S380	V371-V382 HydrophobicContact CB-CB 4.41Å; V371-V382 HydrophobicContact CG1-CB 4.16Å; V371-V382 HydrophobicContact CG1-CG1 4.49Å; V371-V382 WeakPolarHBondContact O-CB 3.28Å; V371-V382 PolarHBondContact O-N 2.81Å; D373-V382 WeakPolarHBondContact OD2-CG2 3.42Å; S380-V382 PolarHBondContact O-N 3.47Å
383	Y	95.3	Very high	94.2	Very high	36 Å²	36	19.3 Å²	19.3	14%	0.141	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	151.4	-177.8	-159.7	-117.9	0	0	0	110.9	Y309 Q313 L333 V371 F385	Y309-Y383 HydrophobicContact CD2-CE1 4.36Å; Y309-Y383 HydrophobicContact CE2-CE1 4.26Å; Q313-Y383 PolarHBondContact NE2-OH 2.92Å; L333-Y383 HydrophobicContact CD1-CD1 3.84Å; L333-Y383 HydrophobicContact CD1-CE1 4.33Å; L333-Y383 HydrophobicContact CD2-CD1 3.87Å; L333-Y383 HydrophobicContact CD2-CG 4.05Å; V371-Y383 PolarHBondContact N-O 2.77Å; V371-Y383 PolarHBondContact O-N 2.93Å; Y383-F385 AromaticContact CD1-CD1 3.78Å; Y383-F385 HydrophobicContact CD1-CD1 3.78Å; Y383-F385 HydrophobicContact CD1-CE1 4.5Å; Y383-F385 HydrophobicContact CE1-CB 4.32Å; Y383-F385 HydrophobicContact CE1-CD1 4.1Å
384	V	97.1	Very high	94.2	Very high	25 Å²	25	20.3 Å²	20.3	15%	0.152	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.7	173.9	179.2	0	0	0	0	108.8	V369 T399	V369-V384 WeakPolarHBondContact O-CA 3.42Å; V384-T399 HydrophobicContact CG1-CG2 4.24Å
385	F	98.1	Very high	94.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.9	172.9	53.8	-86.5	0	0	0	109.4	S305 I308 Y309 Y312 F329 L333 V369 V371 Y383	S305-F385 WeakPolarHBondContact O-CE2 3.14Å; I308-F385 HydrophobicContact CB-CD2 4.09Å; I308-F385 HydrophobicContact CB-CE2 4.21Å; I308-F385 HydrophobicContact CG2-CD2 3.91Å; I308-F385 HydrophobicContact CG2-CE2 4.44Å; Y309-F385 HydrophobicContact CD2-CD1 4.38Å; Y309-F385 HydrophobicContact CD2-CG 4.41Å; Y312-F385 HydrophobicContact CD1-CB 3.58Å; Y312-F385 HydrophobicContact CD2-CB 4.25Å; Y312-F385 HydrophobicContact CE1-CB 4.16Å; Y312-F385 HydrophobicContact CG-CB 3.63Å; F329-F385 HydrophobicContact CE2-CE1 4.34Å; F329-F385 AromaticContact CE2-CZ 3.86Å; F329-F385 HydrophobicContact CE2-CZ 3.86Å; F329-F385 HydrophobicContact CZ-CZ 4.36Å; L333-F385 HydrophobicContact CD1-CD1 4.23Å; L333-F385 HydrophobicContact CD1-CE1 3.87Å; V369-F385 HydrophobicContact CB-CD2 4.08Å; V369-F385 HydrophobicContact CB-CE1 4.01Å; V369-F385 HydrophobicContact CB-CE2 3.45Å; V369-F385 VanDerWaalsContact CB-CE2 3.45Å; V369-F385 HydrophobicContact CB-CZ 3.43Å; V369-F385 VanDerWaalsContact CB-CZ 3.43Å; V369-F385 HydrophobicContact CG1-CE1 4.08Å; V369-F385 HydrophobicContact CG1-CE2 4.11Å; V369-F385 HydrophobicContact CG1-CZ 3.58Å; V369-F385 HydrophobicContact CG2-CD2 4.35Å; V369-F385 HydrophobicContact CG2-CE2 3.58Å; V369-F385 HydrophobicContact CG2-CZ 3.94Å; V369-F385 PolarHBondContact N-O 2.61Å; V369-F385 PolarHBondContact O-N 3.21Å; V369-F385 VanDerWaalsContact O-N 3.12Å; V371-F385 HydrophobicContact CG2-CE1 3.76Å; Y383-F385 AromaticContact CD1-CD1 3.78Å; Y383-F385 HydrophobicContact CD1-CD1 3.78Å; Y383-F385 HydrophobicContact CD1-CE1 4.5Å; Y383-F385 HydrophobicContact CE1-CB 4.32Å; Y383-F385 HydrophobicContact CE1-CD1 4.1Å
386	Y	98.4	Very high	94.5	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.02	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	160.8	-172	58.3	-97.9	0	0	0	112.4	Y312 I367 P388 L395	Y312-Y386 HydrophobicContact CD2-CD1 4.07Å; Y312-Y386 HydrophobicContact CD2-CD2 4.34Å; Y312-Y386 HydrophobicContact CD2-CE1 4.15Å; Y312-Y386 HydrophobicContact CD2-CE2 4.4Å; Y312-Y386 HydrophobicContact CD2-CG 4.17Å; Y312-Y386 WeakPolarHBondContact CD2-O 3.36Å; Y312-Y386 AromaticContact CE2-CD1 3.67Å; Y312-Y386 HydrophobicContact CE2-CD1 3.67Å; Y312-Y386 HydrophobicContact CE2-CD2 4.46Å; Y312-Y386 AromaticContact CE2-CE1 3.38Å; Y312-Y386 HydrophobicContact CE2-CE1 3.38Å; Y312-Y386 HydrophobicContact CE2-CE2 4.22Å; Y312-Y386 HydrophobicContact CE2-CG 4.2Å; Y312-Y386 AromaticContact CE2-CZ 3.67Å; I367-Y386 CarbonylContact O-C 3.6Å; I367-Y386 VanDerWaalsContact O-CA 3.32Å; I367-Y386 WeakPolarHBondContact O-CA 3.32Å; I367-Y386 VanDerWaalsContact O-CB 3.28Å; I367-Y386 WeakPolarHBondContact O-CB 3.4Å; Y386-P388 VanDerWaalsContact O-CD 3.25Å; Y386-P388 WeakPolarHBondContact O-CD 3.34Å; Y386-L395 HydrophobicContact CD1-CB 3.95Å; Y386-L395 HydrophobicContact CD2-CB 4.3Å; Y386-L395 HydrophobicContact CD2-CD1 4.1Å; Y386-L395 HydrophobicContact CG-CB 3.78Å; Y386-L395 HydrophobicContact CG-CD1 4.06Å
387	D	97.9	Very high	94.7	Very high	13 Å²	13	22 Å²	22	7%	0.07	12%	0.116	C	C	.	.			trans	-65.6	115.7	174.7	178.4	-9.2	0	0	0	108.7	I308 K365 I367 N389 Y390	I308-D387 HydrophobicContact CD1-CB 4.29Å; K365-D387 WeakPolarHBondContact CE-OD2 3.41Å; K365-D387 IonicContact NZ-OD2 2.72Å; K365-D387 PolarHBondContact NZ-OD2 3.32Å; I367-D387 PolarHBondContact O-N 3.2Å; D387-N389 PolarHBondContact O-N 2.96Å; D387-N389 VanDerWaalsContact OD1-CB 3.32Å; D387-N389 WeakPolarHBondContact OD1-CB 3.29Å; D387-N389 PolarHBondContact OD1-N 2.95Å; D387-N389 PolarHBondContact OD1-ND2 3.29Å; D387-Y390 HydrophobicContact CB-CD2 3.86Å; D387-Y390 HydrophobicContact CB-CE2 4.35Å; D387-Y390 PolarHBondContact O-N 3.08Å; D387-Y390 WeakPolarHBondContact OD2-CE2 3.34Å
388	P	96.5	Very high	95	Very high	22 Å²	22	16.9 Å²	16.9	14%	0.143	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-56.4	-23.7	-177.3	-25.8	35	0	0	0	114.1	H315 I316 Y386 Y390 S391	H315-P388 HydrophobicContact CB-CB 4.13Å; H315-P388 HydrophobicContact CB-CG 3.78Å; I316-P388 HydrophobicContact CD1-CB 4.48Å; Y386-P388 VanDerWaalsContact O-CD 3.25Å; Y386-P388 WeakPolarHBondContact O-CD 3.34Å; P388-Y390 PolarHBondContact O-N 2.8Å; P388-Y390 VanDerWaalsContact O-N 3.12Å; P388-S391 VanDerWaalsContact O-CB 3.3Å; P388-S391 WeakPolarHBondContact O-CB 3.36Å; P388-S391 PolarHBondContact O-N 3.25Å; P388-S391 VanDerWaalsContact O-N 3.08Å; P388-S391 PolarHBondContact O-OG 3.41Å
389	N	95.6	Very high	95.2	Very high	84 Å²	84	16.8 Å²	16.8	45%	0.449	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-63.3	-16.4	175.6	-62.9	-59.1	0	0	0	113.2	D387 F392	D387-N389 PolarHBondContact O-N 2.96Å; D387-N389 VanDerWaalsContact OD1-CB 3.32Å; D387-N389 WeakPolarHBondContact OD1-CB 3.29Å; D387-N389 PolarHBondContact OD1-N 2.95Å; D387-N389 PolarHBondContact OD1-ND2 3.29Å; N389-F392 VanDerWaalsContact O-CE1 3.24Å; N389-F392 WeakPolarHBondContact O-CE1 3.34Å
390	Y	96.5	Very high	95.2	Very high	24 Å²	24	17.5 Å²	17.5	9%	0.094	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-110.9	18.6	177.1	-60.2	-89.3	0	0	0	112.8	F100 L361 K365 I367 D387 P388 F392 L393	F100-Y390 HydrophobicContact CZ-CD1 4.35Å; F100-Y390 HydrophobicContact CZ-CE1 4.1Å; L361-Y390 HydrophobicContact CD2-CE1 3.57Å; K365-Y390 HydrophobicContact CD-CE2 4.21Å; K365-Y390 WeakPolarHBondContact CD-OH 3.44Å; K365-Y390 VanDerWaalsContact NZ-CE2 3.33Å; K365-Y390 PolarHBondContact NZ-OH 2.86Å; I367-Y390 HydrophobicContact CB-CD2 4Å; I367-Y390 HydrophobicContact CB-CE2 4.25Å; I367-Y390 HydrophobicContact CB-CG 4.34Å; I367-Y390 HydrophobicContact CG2-CD1 4.47Å; I367-Y390 HydrophobicContact CG2-CD2 3.67Å; I367-Y390 HydrophobicContact CG2-CE1 4.29Å; I367-Y390 HydrophobicContact CG2-CE2 3.41Å; I367-Y390 VanDerWaalsContact CG2-CE2 3.41Å; I367-Y390 HydrophobicContact CG2-CG 4.19Å; D387-Y390 HydrophobicContact CB-CD2 3.86Å; D387-Y390 HydrophobicContact CB-CE2 4.35Å; D387-Y390 PolarHBondContact O-N 3.08Å; D387-Y390 WeakPolarHBondContact OD2-CE2 3.34Å; P388-Y390 PolarHBondContact O-N 2.8Å; P388-Y390 VanDerWaalsContact O-N 3.12Å; Y390-F392 HydrophobicContact CD1-CE1 4.21Å; Y390-F392 HydrophobicContact CD1-CZ 4.04Å; Y390-F392 PolarHBondContact O-N 3.2Å; Y390-F392 VanDerWaalsContact O-N 3.08Å; Y390-L393 HydrophobicContact CD1-CD1 4.09Å; Y390-L393 WeakPolarHBondContact O-CB 3.18Å; Y390-L393 PolarHBondContact O-N 3.32Å
391	S	93.9	Very high	95.1	Very high	8 Å²	8	17.8 Å²	17.8	6%	0.056	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-53	-32	177.6	65.5	0	0	0	0	113	H126 P388 L393 H394	H126-S391 PolarHBondContact O-OG 2.95Å; P388-S391 VanDerWaalsContact O-CB 3.3Å; P388-S391 WeakPolarHBondContact O-CB 3.36Å; P388-S391 PolarHBondContact O-N 3.25Å; P388-S391 VanDerWaalsContact O-N 3.08Å; P388-S391 PolarHBondContact O-OG 3.41Å; S391-L393 PolarHBondContact O-N 2.91Å; S391-L393 VanDerWaalsContact O-N 3.11Å; S391-H394 PolarHBondContact O-N 2.88Å
392	F	94	Very high	94.9	Very high	14 Å²	14	19 Å²	19	6%	0.061	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-61.2	-18.4	177.3	66.9	-96.1	0	0	0	114.1	F100 L106 P107 R127 N389 Y390 H394	F100-F392 AromaticContact CD2-CE2 3.84Å; F100-F392 HydrophobicContact CD2-CE2 3.84Å; F100-F392 HydrophobicContact CD2-CZ 4.08Å; F100-F392 HydrophobicContact CE2-CE2 4.16Å; F100-F392 AromaticContact CE2-CZ 3.91Å; F100-F392 HydrophobicContact CE2-CZ 3.91Å; F100-F392 HydrophobicContact CG-CE2 4.24Å; F100-F392 HydrophobicContact CZ-CZ 4.41Å; L106-F392 HydrophobicContact CD2-CD1 4.19Å; L106-F392 HydrophobicContact CD2-CD2 3.78Å; L106-F392 HydrophobicContact CD2-CE1 3.71Å; L106-F392 HydrophobicContact CD2-CE2 3.26Å; L106-F392 HydrophobicContact CD2-CG 4.22Å; L106-F392 HydrophobicContact CD2-CZ 3.24Å; P107-F392 HydrophobicContact CG-CD2 4.21Å; R127-F392 HydrophobicContact CG-CB 4.22Å; N389-F392 VanDerWaalsContact O-CE1 3.24Å; N389-F392 WeakPolarHBondContact O-CE1 3.34Å; Y390-F392 HydrophobicContact CD1-CE1 4.21Å; Y390-F392 HydrophobicContact CD1-CZ 4.04Å; Y390-F392 PolarHBondContact O-N 3.2Å; Y390-F392 VanDerWaalsContact O-N 3.08Å; F392-H394 VanDerWaalsContact C-N 3.33Å
393	L	95.9	Very high	94.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-83.8	-8.1	174.1	-63.4	178	0	0	0	112.9	M97 F100 I367 Y390 S391 L395	M97-L393 HydrophobicContact CE-CB 4.12Å; M97-L393 HydrophobicContact CE-CD1 3.96Å; M97-L393 HydrophobicContact CE-CG 4.43Å; M97-L393 HydrophobicContact SD-CD1 4.04Å; M97-L393 HydrophobicContact SD-CD2 4.21Å; F100-L393 HydrophobicContact CB-CD2 3.72Å; F100-L393 HydrophobicContact CD1-CD1 3.78Å; F100-L393 HydrophobicContact CD1-CD2 3.87Å; F100-L393 HydrophobicContact CD1-CG 4.44Å; F100-L393 HydrophobicContact CE1-CD1 3.89Å; F100-L393 HydrophobicContact CG-CD1 4.42Å; F100-L393 HydrophobicContact CG-CD2 3.8Å; I367-L393 HydrophobicContact CD1-CD1 4.46Å; Y390-L393 HydrophobicContact CD1-CD1 4.09Å; Y390-L393 WeakPolarHBondContact O-CB 3.18Å; Y390-L393 PolarHBondContact O-N 3.32Å; S391-L393 PolarHBondContact O-N 2.91Å; S391-L393 VanDerWaalsContact O-N 3.11Å; L393-L395 HydrophobicContact CB-CD2 3.9Å; L393-L395 HydrophobicContact CB-CG 4.01Å; L393-L395 HydrophobicContact CD1-CD2 4.25Å
394	H	95.2	Very high	92.4	Very high	21 Å²	21	17.4 Å²	17.4	10%	0.097	10%	0.1	C	C	.	.			trans	51.3	53.8	-174.5	-56.9	-72.4	0	0	0	112	V93 D124 S391 F392 G396 T397 Y398	V93-H394 HydrophobicContact CG1-CB 4.3Å; V93-H394 HydrophobicContact CG2-CB 3.94Å; D124-H394 PolarHBondContact O-ND1 2.74Å; S391-H394 PolarHBondContact O-N 2.88Å; F392-H394 VanDerWaalsContact C-N 3.33Å; H394-G396 PolarHBondContact O-N 3.23Å; H394-G396 VanDerWaalsContact O-N 3.16Å; H394-T397 PolarHBondContact O-N 2.83Å; H394-Y398 PolarHBondContact O-N 2.89Å
395	L	96.2	Very high	90.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-56.8	-35.8	-169.5	-69.3	169.7	0	0	0	112.8	M97 I367 A368 Y386 L393 T397 Y398 T399	M97-L395 HydrophobicContact CE-CD2 3.76Å; I367-L395 HydrophobicContact CB-CD1 4.49Å; I367-L395 HydrophobicContact CD1-CD1 4.34Å; I367-L395 HydrophobicContact CD1-CD2 4.16Å; A368-L395 HydrophobicContact CB-CB 4.21Å; A368-L395 HydrophobicContact CB-CD1 4.2Å; Y386-L395 HydrophobicContact CD1-CB 3.95Å; Y386-L395 HydrophobicContact CD2-CB 4.3Å; Y386-L395 HydrophobicContact CD2-CD1 4.1Å; Y386-L395 HydrophobicContact CG-CB 3.78Å; Y386-L395 HydrophobicContact CG-CD1 4.06Å; L393-L395 HydrophobicContact CB-CD2 3.9Å; L393-L395 HydrophobicContact CB-CG 4.01Å; L393-L395 HydrophobicContact CD1-CD2 4.25Å; L395-T397 VanDerWaalsContact C-N 3.31Å; L395-T397 PolarHBondContact O-N 3.14Å; L395-Y398 HydrophobicContact CD2-CD1 4.46Å; L395-Y398 PolarHBondContact O-N 3Å; L395-Y398 VanDerWaalsContact O-N 3.15Å; L395-T399 VanDerWaalsContact O-CG2 3.29Å; L395-T399 WeakPolarHBondContact O-CG2 3.49Å; L395-T399 PolarHBondContact O-N 3.41Å; L395-T399 PolarHBondContact O-OG1 3.41Å
396	G	94.3	Very high	88.1	Confident	27 Å²	27	22.6 Å²	22.6	28%	0.278	14%	0.135	S	C	.	.	H	α-helix	trans	-58.2	-37.6	174.4	0	0	0	0	0	114.5	H394 T399	H394-G396 PolarHBondContact O-N 3.23Å; H394-G396 VanDerWaalsContact O-N 3.16Å; G396-T399 PolarHBondContact O-OG1 3.01Å
397	T	94	Very high	85.8	Confident	54 Å²	54	23.5 Å²	23.5	33%	0.331	14%	0.14	S	C	.	.	H	α-helix	trans	-77.9	-39.3	174.3	-57.5	0	0	0	0	111.2	V93 H394 L395 A400 L401	V93-T397 HydrophobicContact CB-CG2 4.41Å; V93-T397 HydrophobicContact CG1-CG2 4.37Å; V93-T397 HydrophobicContact CG2-CG2 3.97Å; H394-T397 PolarHBondContact O-N 2.83Å; L395-T397 VanDerWaalsContact C-N 3.31Å; L395-T397 PolarHBondContact O-N 3.14Å; T397-A400 PolarHBondContact O-N 3Å; T397-L401 HydrophobicContact CG2-CD1 4.05Å; T397-L401 HydrophobicContact CG2-CG 4.41Å; T397-L401 WeakPolarHBondContact O-CG 3.5Å; T397-L401 PolarHBondContact O-N 3.07Å
398	Y	95.4	Very high	83	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-45.1	179	178	-101.1	0	0	0	112.2	L94 M97 E273 Y359 H394 L395 A400 L401 R402	L94-Y398 HydrophobicContact CD2-CD2 4.45Å; L94-Y398 HydrophobicContact CD2-CE2 4.47Å; M97-Y398 HydrophobicContact CB-CD2 4.09Å; M97-Y398 HydrophobicContact CB-CE2 3.95Å; M97-Y398 HydrophobicContact CE-CD1 3.59Å; M97-Y398 HydrophobicContact CE-CD2 3.79Å; M97-Y398 HydrophobicContact CE-CE1 3.67Å; M97-Y398 HydrophobicContact CE-CE2 3.88Å; M97-Y398 HydrophobicContact CE-CG 3.63Å; M97-Y398 HydrophobicContact CG-CD2 4.06Å; M97-Y398 HydrophobicContact CG-CE2 3.53Å; E273-Y398 VanDerWaalsContact CD-OH 3.27Å; E273-Y398 VanDerWaalsContact OE1-CE2 3.3Å; E273-Y398 WeakPolarHBondContact OE1-CE2 3.38Å; E273-Y398 PolarHBondContact OE1-OH 3.05Å; E273-Y398 PolarHBondContact OE2-OH 3.35Å; Y359-Y398 HydrophobicContact CD1-CD1 4.44Å; Y359-Y398 AromaticContact CD1-CE1 3.96Å; Y359-Y398 HydrophobicContact CD1-CE1 3.96Å; Y359-Y398 HydrophobicContact CE1-CD1 4.28Å; Y359-Y398 AromaticContact CE1-CE1 3.9Å; Y359-Y398 HydrophobicContact CE1-CE1 3.9Å; H394-Y398 PolarHBondContact O-N 2.89Å; L395-Y398 HydrophobicContact CD2-CD1 4.46Å; L395-Y398 PolarHBondContact O-N 3Å; L395-Y398 VanDerWaalsContact O-N 3.15Å; Y398-A400 VanDerWaalsContact C-N 3.33Å; Y398-A400 PolarHBondContact O-N 3.44Å; Y398-L401 PolarHBondContact O-N 3.5Å; Y398-R402 HydrophobicContact CD1-CG 4.31Å; Y398-R402 HydrophobicContact CE1-CG 3.83Å; Y398-R402 HydrophobicContact CE2-CG 4.28Å; Y398-R402 PolarHBondContact O-N 3.13Å; Y398-R402 PolarHBondContact OH-NE 3.18Å; Y398-R402 PolarHBondContact OH-NH2 2.95Å; Y398-R402 VanDerWaalsContact OH-NH2 3.13Å
399	T	94	Very high	80.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-40.3	178.1	58.2	0	0	0	0	111.7	Y359 A368 V384 L395 G396 L401 R402 Y403	Y359-T399 HydrophobicContact CD2-CG2 3.79Å; Y359-T399 HydrophobicContact CE1-CG2 4.23Å; Y359-T399 HydrophobicContact CE2-CG2 3.27Å; Y359-T399 HydrophobicContact CG-CG2 4.46Å; Y359-T399 VanDerWaalsContact CZ-CG2 3.49Å; Y359-T399 WeakPolarHBondContact OH-CA 3.45Å; Y359-T399 PolarHBondContact OH-O 2.95Å; A368-T399 HydrophobicContact CB-CG2 4.22Å; V384-T399 HydrophobicContact CG1-CG2 4.24Å; L395-T399 VanDerWaalsContact O-CG2 3.29Å; L395-T399 WeakPolarHBondContact O-CG2 3.49Å; L395-T399 PolarHBondContact O-N 3.41Å; L395-T399 PolarHBondContact O-OG1 3.41Å; G396-T399 PolarHBondContact O-OG1 3.01Å; T399-L401 PolarHBondContact O-N 2.89Å; T399-R402 PolarHBondContact O-N 2.86Å; T399-Y403 WeakPolarHBondContact O-CD2 3.39Å; T399-Y403 WeakPolarHBondContact O-CE2 3.26Å; T399-Y403 PolarHBondContact O-N 3.17Å
400	A	91.9	Very high	77.6	Confident	17 Å²	17	31.7 Å²	31.7	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-44	175.7	0	0	0	0	0	111.9	T397 Y398 R402 Y403 I414	T397-A400 PolarHBondContact O-N 3Å; Y398-A400 VanDerWaalsContact C-N 3.33Å; Y398-A400 PolarHBondContact O-N 3.44Å; A400-R402 VanDerWaalsContact C-N 3.28Å; A400-R402 PolarHBondContact O-N 2.96Å; A400-Y403 PolarHBondContact O-N 2.92Å; A400-I414 HydrophobicContact CB-CD1 3.98Å
401	L	91.8	Very high	74.8	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-31.4	175.7	-70.8	172	0	0	0	112.6	F84 L86 H90 L94 I266 T397 Y398 T399 E404	F84-L401 HydrophobicContact CE1-CD2 3.7Å; F84-L401 HydrophobicContact CZ-CD2 3.68Å; L86-L401 HydrophobicContact CD2-CD2 4.01Å; H90-L401 HydrophobicContact CB-CD1 4Å; H90-L401 HydrophobicContact CB-CD2 3.99Å; L94-L401 HydrophobicContact CD1-CD1 4.25Å; L94-L401 HydrophobicContact CD2-CD1 4.09Å; L94-L401 HydrophobicContact CG-CD1 3.92Å; I266-L401 HydrophobicContact CD1-CB 4.01Å; I266-L401 HydrophobicContact CD1-CD2 3.94Å; I266-L401 WeakPolarHBondContact CD1-O 3.26Å; T397-L401 HydrophobicContact CG2-CD1 4.05Å; T397-L401 HydrophobicContact CG2-CG 4.41Å; T397-L401 WeakPolarHBondContact O-CG 3.5Å; T397-L401 PolarHBondContact O-N 3.07Å; Y398-L401 PolarHBondContact O-N 3.5Å; T399-L401 PolarHBondContact O-N 2.89Å; L401-E404 PolarHBondContact O-N 3.06Å
402	R	88.2	Confident	72.4	Confident	32 Å²	32	34.1 Å²	34.1	12%	0.121	20%	0.198	C	C	.	.	H	α-helix	trans	-72	-28	177.6	-81.8	-74.2	-161.2	177.1	5.7	113.5	L270 E273 Y359 Y398 T399 A400 E404 Q405	L270-R402 HydrophobicContact CD2-CG 4.4Å; E273-R402 IonicContact OE1-CZ 3.4Å; E273-R402 IonicContact OE1-NH2 2.72Å; E273-R402 PolarHBondContact OE1-NH2 2.9Å; E273-R402 IonicContact OE2-CZ 2.67Å; E273-R402 IonicContact OE2-NH2 3.42Å; E273-R402 PolarHBondContact OE2-NH2 3.25Å; Y359-R402 HydrophobicContact CE1-CB 4.22Å; Y359-R402 HydrophobicContact CE1-CG 4.08Å; Y359-R402 WeakPolarHBondContact OH-CB 3.5Å; Y398-R402 HydrophobicContact CD1-CG 4.31Å; Y398-R402 HydrophobicContact CE1-CG 3.83Å; Y398-R402 HydrophobicContact CE2-CG 4.28Å; Y398-R402 PolarHBondContact O-N 3.13Å; Y398-R402 PolarHBondContact OH-NE 3.18Å; Y398-R402 PolarHBondContact OH-NH2 2.95Å; Y398-R402 VanDerWaalsContact OH-NH2 3.13Å; T399-R402 PolarHBondContact O-N 2.86Å; A400-R402 VanDerWaalsContact C-N 3.28Å; A400-R402 PolarHBondContact O-N 2.96Å; R402-E404 VanDerWaalsContact C-N 3.27Å; R402-E404 PolarHBondContact O-N 2.57Å; R402-Q405 VanDerWaalsContact NH1-OE1 3.16Å; R402-Q405 PolarHBondContact O-N 3.11Å
403	Y	78.4	Confident	69.8	Low	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-30.3	175.8	-57.7	-39.5	0	0	0	113	Q357 G370 I372 L379 T399 A400 Q405 A406 N407	Q357-Y403 HydrophobicContact CB-CE1 4.45Å; Q357-Y403 VanDerWaalsContact OE1-CE1 3.31Å; G370-Y403 WeakPolarHBondContact CA-OH 3.34Å; I372-Y403 HydrophobicContact CD1-CE1 4.42Å; I372-Y403 HydrophobicContact CG2-CD1 4.29Å; I372-Y403 HydrophobicContact CG2-CE1 3.53Å; I372-Y403 HydrophobicContact CG2-CE2 4.06Å; I372-Y403 VanDerWaalsContact CG2-CZ 3.4Å; I372-Y403 WeakPolarHBondContact CG2-OH 3.23Å; L379-Y403 HydrophobicContact CD1-CD1 4.19Å; L379-Y403 HydrophobicContact CD1-CG 4.24Å; L379-Y403 HydrophobicContact CD2-CD1 4.28Å; L379-Y403 HydrophobicContact CD2-CD2 3.97Å; L379-Y403 HydrophobicContact CD2-CG 3.84Å; T399-Y403 WeakPolarHBondContact O-CD2 3.39Å; T399-Y403 WeakPolarHBondContact O-CE2 3.26Å; T399-Y403 PolarHBondContact O-N 3.17Å; A400-Y403 PolarHBondContact O-N 2.92Å; Y403-Q405 VanDerWaalsContact C-N 3.3Å; Y403-Q405 PolarHBondContact O-N 2.73Å; Y403-A406 PolarHBondContact O-N 3.14Å; Y403-N407 PolarHBondContact O-ND2 2.78Å; Y403-N407 VanDerWaalsContact O-ND2 3.12Å
404	E	57.8	Low	67	Low	12 Å²	12	35.5 Å²	35.5	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-32.3	-179.9	-57.9	-70.3	177.8	0	0	111.7	C79 A81 F84 I266 L401 R402	C79-E404 PolarHBondContact SG-OE1 2.54Å; A81-E404 WeakPolarHBondContact CA-OE2 3.36Å; A81-E404 WeakPolarHBondContact CB-OE2 3Å; F84-E404 HydrophobicContact CD1-CG 4.35Å; I266-E404 HydrophobicContact CD1-CB 3.98Å; I266-E404 HydrophobicContact CD1-CG 4.44Å; L401-E404 PolarHBondContact O-N 3.06Å; R402-E404 VanDerWaalsContact C-N 3.27Å; R402-E404 PolarHBondContact O-N 2.57Å
405	Q	54.6	Low	64.1	Low	64 Å²	64	35.1 Å²	35.1	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-74.5	-30.4	177.6	-164.9	-165.6	-8.6	0	0	113.1	L270 R402 Y403 N407	L270-Q405 HydrophobicContact CD1-CB 3.62Å; L270-Q405 HydrophobicContact CD1-CG 4.01Å; R402-Q405 VanDerWaalsContact NH1-OE1 3.16Å; R402-Q405 PolarHBondContact O-N 3.11Å; Y403-Q405 VanDerWaalsContact C-N 3.3Å; Y403-Q405 PolarHBondContact O-N 2.73Å; Q405-N407 PolarHBondContact O-N 3.41Å; Q405-N407 VanDerWaalsContact O-N 3.13Å
406	A	50.3	Low	60.9	Low	71 Å²	71	40.6 Å²	40.6	59%	0.587	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.2	-173	0	0	0	0	0	113.1	Y403	Y403-A406 PolarHBondContact O-N 3.14Å
407	N	49.1	Very low	57.6	Low	23 Å²	23	42.2 Å²	42.2	12%	0.123	24%	0.237	C	C	.	.			trans	-138.4	75.9	-163.3	-63.2	-56.2	0	0	0	112.7	L379 Y403 Q405 S409 F410	L379-N407 WeakPolarHBondContact CD1-ND2 3.32Å; Y403-N407 PolarHBondContact O-ND2 2.78Å; Y403-N407 VanDerWaalsContact O-ND2 3.12Å; Q405-N407 PolarHBondContact O-N 3.41Å; Q405-N407 VanDerWaalsContact O-N 3.13Å; N407-S409 PolarHBondContact O-N 2.77Å; N407-F410 HydrophobicContact CB-CB 4.19Å; N407-F410 HydrophobicContact CB-CD2 4.32Å
408	D	39.7	Very low	54.4	Low	141 Å²	141	44.2 Å²	44.2	75%	0.754	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	13.9	165.4	-82.1	-21	0	0	0	113.2
409	S	39.3	Very low	51.2	Low	87 Å²	87	49.9 Å²	49.9	61%	0.608	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.5	1.9	-172.9	-53.1	0	0	0	0	116.5	N407	N407-S409 PolarHBondContact O-N 2.77Å
410	F	38.7	Very low	49	Very low	63 Å²	63	52.4 Å²	52.4	28%	0.276	31%	0.307	S	S	.	.			trans	-141	152.1	-172.3	-59	-65	0	0	0	114.6	A81 P376 N407	A81-F410 VanDerWaalsContact CB-O 3.24Å; A81-F410 WeakPolarHBondContact CB-O 3.4Å; P376-F410 WeakPolarHBondContact O-CE1 3.31Å; N407-F410 HydrophobicContact CB-CB 4.19Å; N407-F410 HydrophobicContact CB-CD2 4.32Å
411	E	38.3	Very low	46.8	Very low	84 Å²	84	54.3 Å²	54.3	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	142.4	169.9	-70	-179.2	171.7	0	0	111.2	R377 C378 L379 F413	R377-E411 PolarHBondContact O-N 3.5Å; C378-E411 CarbonylContact C-O 3.53Å; C378-E411 WeakPolarHBondContact CA-O 3.29Å; C378-E411 HydrophobicContact CB-CB 4.43Å; C378-E411 WeakPolarHBondContact CB-O 3.2Å; L379-E411 PolarHBondContact N-O 2.66Å; E411-F413 HydrophobicContact CB-CD2 4.42Å; E411-F413 HydrophobicContact CB-CE2 4Å
412	V	44.3	Very low	44.3	Very low	0 Å²	0	57 Å²	57	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.7	176.1	175.8	0	0	0	0	110.1	C79 A81 L379 I414	C79-V412 CarbonylContact C-O 3.4Å; C79-V412 WeakPolarHBondContact CA-O 3.16Å; C79-V412 WeakPolarHBondContact CB-O 3.46Å; C79-V412 PolarHBondContact N-O 2.75Å; C79-V412 PolarHBondContact O-N 3.23Å; A81-V412 HydrophobicContact CB-CG2 4.01Å; L379-V412 HydrophobicContact CB-CG2 4.45Å; L379-V412 HydrophobicContact CD2-CG1 4.28Å; V412-I414 HydrophobicContact CG1-CG1 4.19Å
413	F	38.1	Very low	41.7	Very low	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.9	176	-74.7	-124.4	0	0	0	108.5	I51 R78 C378 L379 S380 S381 E411	I51-F413 HydrophobicContact CD1-CB 4.34Å; I51-F413 HydrophobicContact CD1-CD1 3.87Å; I51-F413 HydrophobicContact CD1-CE1 4.42Å; I51-F413 HydrophobicContact CD1-CG 4.29Å; I51-F413 HydrophobicContact CG1-CD1 3.9Å; I51-F413 HydrophobicContact CG1-CE1 4.08Å; I51-F413 HydrophobicContact CG2-CE1 4.4Å; R78-F413 HydrophobicContact CG-CD1 3.89Å; R78-F413 HydrophobicContact CG-CE1 3.79Å; R78-F413 HydrophobicContact CG-CG 4.49Å; R78-F413 HydrophobicContact CG-CZ 4.24Å; C378-F413 HydrophobicContact CB-CD2 3.27Å; C378-F413 HydrophobicContact CB-CE2 3.23Å; C378-F413 HydrophobicContact CB-CG 4.32Å; C378-F413 HydrophobicContact CB-CZ 4.24Å; L379-F413 WeakPolarHBondContact O-CA 3.24Å; L379-F413 PolarHBondContact O-N 3.34Å; S380-F413 CarbonylContact C-O 3.55Å; S380-F413 WeakPolarHBondContact CA-O 3.2Å; S381-F413 PolarHBondContact N-O 2.69Å; E411-F413 HydrophobicContact CB-CD2 4.42Å; E411-F413 HydrophobicContact CB-CE2 4Å
414	I	38.1	Very low	39.4	Very low	43 Å²	43	62.1 Å²	62.1	22%	0.221	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	106.2	172.7	-57.5	174.6	0	0	0	108.3	A400 V412 Q416	A400-I414 HydrophobicContact CB-CD1 3.98Å; V412-I414 HydrophobicContact CG1-CG1 4.19Å; I414-Q416 HydrophobicContact CG2-CG 4.04Å; I414-Q416 PolarHBondContact O-N 3.35Å
415	I	33.9	Very low	38.2	Very low	13 Å²	13	65.5 Å²	65.5	7%	0.067	39%	0.387	C	S	.	.			trans	-92.3	90.2	169.3	-51.1	-178.4	0	0	0	107.5	I51 R56 S380 S381 S417	I51-I415 HydrophobicContact CD1-CD1 4.22Å; R56-I415 HydrophobicContact CG-CD1 4.45Å; S380-I415 WeakPolarHBondContact OG-CD1 3.19Å; S381-I415 CarbonylContact O-C 3.53Å; S381-I415 WeakPolarHBondContact O-CA 3.48Å; S381-I415 WeakPolarHBondContact O-CB 3.36Å; S381-I415 PolarHBondContact O-N 3.36Å; S381-I415 VanDerWaalsContact O-O 3.12Å; I415-S417 PolarHBondContact O-N 3.26Å
416	Q	28.1	Very low	37	Very low	116 Å²	116	65.6 Å²	65.6	54%	0.542	39%	0.393	S	S	.	.			trans	-78.8	115.1	162.5	-80.1	-173.3	-26.3	0	0	108.9	I414 N418	I414-Q416 HydrophobicContact CG2-CG 4.04Å; I414-Q416 PolarHBondContact O-N 3.35Å; Q416-N418 VanDerWaalsContact C-N 3.32Å; Q416-N418 PolarHBondContact O-N 3.27Å
417	S	26.5	Very low	36	Very low	60 Å²	60	65.2 Å²	65.2	42%	0.42	38%	0.378	S	S	.	.			trans	-83	83.4	153.5	63.3	0	0	0	0	107.8	I415 A419	I415-S417 PolarHBondContact O-N 3.26Å; S417-A419 PolarHBondContact O-N 3.31Å
418	N	26.5	Very low	34.9	Very low	97 Å²	97	68.7 Å²	68.7	52%	0.519	40%	0.399	S	S	.	.			trans	-74.2	107.4	159.9	-67.2	-15.5	0	0	0	105.5	Q416	Q416-N418 VanDerWaalsContact C-N 3.32Å; Q416-N418 PolarHBondContact O-N 3.27Å
419	A	27	Very low	34.4	Very low	120 Å²	120	62.1 Å²	62.1	99%	0.992	37%	0.367	S	S	*	.			trans	-76	0	166.4	0	0	0	0	0	109.6	S417	S417-A419 PolarHBondContact O-N 3.31Å

Retrieved 419 of 419 residues in 532.8 ms (Link to these results)

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