A0A5K4F099_SCHMA Loading...

Calmodulin-lysine N-methyltransferase

AlphaFold DB (A0A5K4EZ29), UniProt , Accession A0A5K4F099, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 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	26.4	Very low	40.9	Very low	217 Å²	217	116.3 Å²	116.3	100%	1.069	56%	0.561	S	S	*	*				0	90.7	0	-130.4	175.5	82.4	0	0	107.8	K3	M1-K3 PolarHBondContact O-N 2.97Å
2	N	30.4	Very low	42.1	Very low	139 Å²	139	109.7 Å²	109.7	74%	0.743	53%	0.526	S	S	*	.			trans	-70.1	117.9	-178.6	-94.3	0.1	0	0	0	109.9	E4	N2-E4 PolarHBondContact O-N 2.98Å
3	K	31.8	Very low	42.9	Very low	183 Å²	183	105.8 Å²	105.8	80%	0.796	52%	0.518	S	S	*	.	S	Bend	trans	-67.3	-7.3	176.6	-85.9	177.1	171.1	176.9	0	113.5	M1	M1-K3 PolarHBondContact O-N 2.97Å
4	E	36.1	Very low	43.9	Very low	152 Å²	152	104.6 Å²	104.6	71%	0.71	52%	0.519	S	S	*	.	S	Bend	trans	-85.6	-29.7	-163.2	-70.6	177.9	156.4	0	0	114.5	N2	N2-E4 PolarHBondContact O-N 2.98Å
5	N	37.3	Very low	44.8	Very low	90 Å²	90	100.7 Å²	100.7	48%	0.481	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-12	-176.8	-76.1	-3.9	0	0	0	115.2	N7 S353	N5-N7 PolarHBondContact O-N 3.45Å; N5-S353 PolarHBondContact ND2-O 2.94Å
6	R	39.4	Very low	45.5	Very low	196 Å²	196	95.3 Å²	95.3	74%	0.74	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.7	174.9	-81.8	-171.8	179.8	-176.1	0	113.9
7	N	51	Low	46.3	Very low	74 Å²	74	100 Å²	100	40%	0.396	49%	0.488	S	S	.	.			trans	-111.4	-17.9	-157.1	-121.3	-8.7	0	0	0	115.4	N5 L11	N5-N7 PolarHBondContact O-N 3.45Å; N7-L11 VanDerWaalsContact O-CA 3.28Å; N7-L11 WeakPolarHBondContact O-CA 3.4Å; N7-L11 WeakPolarHBondContact O-CB 3.39Å; N7-L11 PolarHBondContact O-N 3.19Å
8	S	45.3	Very low	46.9	Very low	28 Å²	28	96.8 Å²	96.8	20%	0.196	48%	0.48	C	S	.	.	H	α-helix	trans	-64.4	-59.9	-167.8	49.1	0	0	0	0	114.4	Q10 L11 W12 W125	S8-Q10 VanDerWaalsContact C-N 3.33Å; S8-Q10 PolarHBondContact O-N 3.26Å; S8-L11 CarbonylContact O-C 3.43Å; S8-L11 PolarHBondContact O-N 2.9Å; S8-L11 VanDerWaalsContact O-N 3.16Å; S8-W12 VanDerWaalsContact C-CD1 3.46Å; S8-W12 WeakPolarHBondContact O-CB 3.36Å; S8-W12 VanDerWaalsContact O-CG 3.32Å; S8-W12 PolarHBondContact O-N 3.3Å; S8-W125 VanDerWaalsContact OG-CH2 3.22Å; S8-W125 WeakPolarHBondContact OG-CH2 3.44Å
9	S	45.9	Very low	47.5	Very low	36 Å²	36	92.3 Å²	92.3	25%	0.252	46%	0.458	S	S	.	.	H	α-helix	trans	-65.1	-34.4	178.5	67.9	0	0	0	0	113	W12 S13	S9-W12 PolarHBondContact O-N 3.12Å; S9-S13 WeakPolarHBondContact O-CB 3.49Å; S9-S13 PolarHBondContact O-N 2.92Å; S9-S13 PolarHBondContact O-OG 2.79Å
10	Q	51.7	Low	48	Very low	119 Å²	119	93.1 Å²	93.1	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-67.2	-38.9	172.4	-72.5	-172	-10.6	0	0	112	S8 S13 V14	S8-Q10 VanDerWaalsContact C-N 3.33Å; S8-Q10 PolarHBondContact O-N 3.26Å; Q10-S13 WeakPolarHBondContact CA-OG 3.49Å; Q10-S13 PolarHBondContact O-OG 3.04Å; Q10-V14 WeakPolarHBondContact O-CB 3.48Å; Q10-V14 WeakPolarHBondContact O-CG2 3.32Å; Q10-V14 PolarHBondContact O-N 2.92Å
11	L	54.2	Low	48.4	Very low	45 Å²	45	91.6 Å²	91.6	24%	0.236	46%	0.457	C	S	.	.	H	α-helix	trans	-70.7	-38.5	177	-169.9	98.6	0	0	0	109.5	N7 S8 V14 L15	N7-L11 VanDerWaalsContact O-CA 3.28Å; N7-L11 WeakPolarHBondContact O-CA 3.4Å; N7-L11 WeakPolarHBondContact O-CB 3.39Å; N7-L11 PolarHBondContact O-N 3.19Å; S8-L11 CarbonylContact O-C 3.43Å; S8-L11 PolarHBondContact O-N 2.9Å; S8-L11 VanDerWaalsContact O-N 3.16Å; L11-V14 PolarHBondContact O-N 2.73Å; L11-L15 HydrophobicContact CD2-CD1 3.89Å; L11-L15 HydrophobicContact CG-CD1 3.92Å; L11-L15 HydrophobicContact CG-CG 4.48Å; L11-L15 WeakPolarHBondContact O-CA 3.5Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.3Å
12	W	55.7	Low	49.8	Very low	37 Å²	37	82.6 Å²	82.6	14%	0.14	42%	0.415	C	S	.	.	H	α-helix	trans	-63.7	-48.1	172.8	-73	121.3	0	0	0	111.4	S8 S9 V14 L15 A16 L96 L113 T119 V122	S8-W12 VanDerWaalsContact C-CD1 3.46Å; S8-W12 WeakPolarHBondContact O-CB 3.36Å; S8-W12 VanDerWaalsContact O-CG 3.32Å; S8-W12 PolarHBondContact O-N 3.3Å; S9-W12 PolarHBondContact O-N 3.12Å; W12-V14 VanDerWaalsContact C-N 3.33Å; W12-V14 PolarHBondContact O-N 2.84Å; W12-L15 HydrophobicContact CE3-CD1 4.42Å; W12-L15 PolarHBondContact O-N 2.99Å; W12-A16 WeakPolarHBondContact O-CB 3.29Å; W12-A16 PolarHBondContact O-N 2.89Å; W12-L96 HydrophobicContact CH2-CD1 3.44Å; W12-L96 VanDerWaalsContact CH2-CD1 3.44Å; W12-L96 HydrophobicContact CH2-CD2 3.65Å; W12-L96 HydrophobicContact CH2-CG 3.89Å; W12-L96 HydrophobicContact CZ3-CD1 3.48Å; W12-L96 VanDerWaalsContact CZ3-CD1 3.48Å; W12-L96 HydrophobicContact CZ3-CD2 3.58Å; W12-L96 HydrophobicContact CZ3-CG 4.06Å; W12-L113 HydrophobicContact CE3-CD2 4.27Å; W12-L113 HydrophobicContact CZ3-CD2 4.19Å; W12-T119 HydrophobicContact CG-CG2 4.1Å; W12-V122 HydrophobicContact CH2-CG2 3.64Å; W12-V122 HydrophobicContact CZ2-CG2 3.5Å; W12-V122 VanDerWaalsContact CZ2-CG2 3.5Å
13	S	52.5	Low	51	Low	60 Å²	60	81.9 Å²	81.9	42%	0.42	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-35.1	175.5	59.2	0	0	0	0	112.5	S9 Q10 R17	S9-S13 WeakPolarHBondContact O-CB 3.49Å; S9-S13 PolarHBondContact O-N 2.92Å; S9-S13 PolarHBondContact O-OG 2.79Å; Q10-S13 WeakPolarHBondContact CA-OG 3.49Å; Q10-S13 PolarHBondContact O-OG 3.04Å; S13-R17 WeakPolarHBondContact O-CB 3.34Å; S13-R17 PolarHBondContact O-N 2.75Å
14	V	57.4	Low	52.5	Low	88 Å²	88	81 Å²	81	53%	0.533	40%	0.399	S	S	.	.	H	α-helix	trans	-68.3	-43.8	172.8	166.9	0	0	0	0	111.2	Q10 L11 W12 R17 A18	Q10-V14 WeakPolarHBondContact O-CB 3.48Å; Q10-V14 WeakPolarHBondContact O-CG2 3.32Å; Q10-V14 PolarHBondContact O-N 2.92Å; L11-V14 PolarHBondContact O-N 2.73Å; W12-V14 VanDerWaalsContact C-N 3.33Å; W12-V14 PolarHBondContact O-N 2.84Å; V14-R17 PolarHBondContact O-N 2.76Å; V14-A18 VanDerWaalsContact O-CB 3.23Å; V14-A18 WeakPolarHBondContact O-CB 3.44Å; V14-A18 PolarHBondContact O-N 2.99Å
15	L	57.7	Low	53.8	Low	46 Å²	46	79.3 Å²	79.3	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-63	-48	175.9	-82.8	160.4	0	0	0	110.3	L11 W12 R17 A18 V19	L11-L15 HydrophobicContact CD2-CD1 3.89Å; L11-L15 HydrophobicContact CG-CD1 3.92Å; L11-L15 HydrophobicContact CG-CG 4.48Å; L11-L15 WeakPolarHBondContact O-CA 3.5Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.3Å; W12-L15 HydrophobicContact CE3-CD1 4.42Å; W12-L15 PolarHBondContact O-N 2.99Å; L15-R17 VanDerWaalsContact C-N 3.32Å; L15-R17 PolarHBondContact O-N 3.28Å; L15-A18 PolarHBondContact O-N 3.42Å; L15-V19 WeakPolarHBondContact O-CB 3.45Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 3.26Å
16	A	56.1	Low	54.6	Low	15 Å²	15	78.3 Å²	78.3	12%	0.124	40%	0.403	C	S	.	.	H	α-helix	trans	-57.4	-45.7	174.9	0	0	0	0	0	111.3	W12 V19 K20 L113	W12-A16 WeakPolarHBondContact O-CB 3.29Å; W12-A16 PolarHBondContact O-N 2.89Å; A16-V19 PolarHBondContact O-N 3.41Å; A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.2Å; A16-K20 PolarHBondContact O-N 3.44Å; A16-L113 HydrophobicContact CB-CB 4.21Å; A16-L113 WeakPolarHBondContact CB-O 3.48Å
17	R	58.8	Low	55.2	Low	175 Å²	175	74.7 Å²	74.7	66%	0.66	39%	0.392	S	S	*	.	H	α-helix	trans	-65.6	-42.4	176.7	-167	177.1	-69.7	166.7	-1.8	111.8	S13 V14 L15 K20 C21	S13-R17 WeakPolarHBondContact O-CB 3.34Å; S13-R17 PolarHBondContact O-N 2.75Å; V14-R17 PolarHBondContact O-N 2.76Å; L15-R17 VanDerWaalsContact C-N 3.32Å; L15-R17 PolarHBondContact O-N 3.28Å; R17-K20 PolarHBondContact O-N 3.42Å; R17-C21 WeakPolarHBondContact O-CB 3.14Å; R17-C21 PolarHBondContact O-N 3.45Å; R17-C21 PolarHBondContact O-SG 3.23Å; R17-C21 VanDerWaalsContact O-SG 3.34Å
18	A	57.3	Low	55	Low	42 Å²	42	77 Å²	77	35%	0.347	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-40.7	178	0	0	0	0	0	112.2	V14 L15 C21 S22	V14-A18 VanDerWaalsContact O-CB 3.23Å; V14-A18 WeakPolarHBondContact O-CB 3.44Å; V14-A18 PolarHBondContact O-N 2.99Å; L15-A18 PolarHBondContact O-N 3.42Å; A18-C21 PolarHBondContact O-N 3.1Å; A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 3.39Å; A18-S22 PolarHBondContact O-OG 3.45Å
19	V	56.8	Low	55.3	Low	11 Å²	11	83.1 Å²	83.1	7%	0.067	43%	0.434	C	S	.	.	H	α-helix	trans	-67.5	-43.2	174.3	172.7	0	0	0	0	110.5	L15 A16 C21 S22 Y23 L30 L109 L110 L113	L15-V19 WeakPolarHBondContact O-CB 3.45Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 3.26Å; A16-V19 PolarHBondContact O-N 3.41Å; V19-C21 VanDerWaalsContact C-N 3.35Å; V19-C21 PolarHBondContact O-N 3.03Å; V19-S22 PolarHBondContact O-N 3.36Å; V19-Y23 VanDerWaalsContact O-CB 3.26Å; V19-Y23 WeakPolarHBondContact O-CB 3.14Å; V19-Y23 PolarHBondContact O-N 3.19Å; V19-L30 HydrophobicContact CB-CD1 4.5Å; V19-L30 HydrophobicContact CG2-CB 4.15Å; V19-L30 HydrophobicContact CG2-CD1 3.64Å; V19-L109 HydrophobicContact CG1-CD2 4.43Å; V19-L110 HydrophobicContact CG1-CD1 4.06Å; V19-L113 HydrophobicContact CB-CD1 3.75Å; V19-L113 HydrophobicContact CG1-CD1 3.86Å; V19-L113 HydrophobicContact CG2-CD1 3.48Å; V19-L113 VanDerWaalsContact CG2-CD1 3.48Å
20	K	57.5	Low	55.3	Low	109 Å²	109	85.1 Å²	85.1	47%	0.474	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-41.1	175.1	-168.8	171.2	-173.7	169.1	0	112.2	A16 R17 K24 L110	A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.2Å; A16-K20 PolarHBondContact O-N 3.44Å; R17-K20 PolarHBondContact O-N 3.42Å; K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 2.99Å; K20-K24 VanDerWaalsContact O-N 3.11Å; K20-L110 HydrophobicContact CB-CD1 4.35Å
21	C	56.6	Low	55	Low	61 Å²	61	84 Å²	84	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-66.7	-49	174.4	-75.1	0	0	0	0	111.9	R17 A18 V19 Y23 K24 E25	R17-C21 WeakPolarHBondContact O-CB 3.14Å; R17-C21 PolarHBondContact O-N 3.45Å; R17-C21 PolarHBondContact O-SG 3.23Å; R17-C21 VanDerWaalsContact O-SG 3.34Å; A18-C21 PolarHBondContact O-N 3.1Å; V19-C21 VanDerWaalsContact C-N 3.35Å; V19-C21 PolarHBondContact O-N 3.03Å; C21-Y23 VanDerWaalsContact C-N 3.27Å; C21-Y23 PolarHBondContact O-N 3.03Å; C21-K24 PolarHBondContact O-N 2.95Å; C21-K24 VanDerWaalsContact O-N 3.15Å; C21-E25 WeakPolarHBondContact O-CG 3.33Å; C21-E25 PolarHBondContact O-N 3.31Å
22	S	55.3	Low	54.5	Low	28 Å²	28	83.7 Å²	83.7	20%	0.196	45%	0.448	C	S	.	.	H	α-helix	trans	-60.6	-38.6	179.6	-58.9	0	0	0	0	111.8	A18 V19 E25 G26 K27	A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 3.39Å; A18-S22 PolarHBondContact O-OG 3.45Å; V19-S22 PolarHBondContact O-N 3.36Å; S22-E25 CarbonylContact O-C 3.46Å; S22-E25 PolarHBondContact O-N 2.86Å; S22-G26 PolarHBondContact O-N 2.72Å; S22-K27 PolarHBondContact O-N 2.88Å
23	Y	56.5	Low	54	Low	125 Å²	125	87.4 Å²	87.4	49%	0.49	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-46.8	174.5	-175.4	-100.3	0	0	0	112	V19 C21 E25 G26 L110	V19-Y23 VanDerWaalsContact O-CB 3.26Å; V19-Y23 WeakPolarHBondContact O-CB 3.14Å; V19-Y23 PolarHBondContact O-N 3.19Å; C21-Y23 VanDerWaalsContact C-N 3.27Å; C21-Y23 PolarHBondContact O-N 3.03Å; Y23-E25 PolarHBondContact O-N 3.18Å; Y23-G26 PolarHBondContact O-N 3.43Å; Y23-L110 HydrophobicContact CD1-CD2 4.26Å; Y23-L110 HydrophobicContact CE1-CD2 4.44Å
24	K	62.7	Low	53.7	Low	163 Å²	163	92.3 Å²	92.3	71%	0.709	48%	0.48	S	S	*	.	H	α-helix	trans	-61.3	-28.8	175.2	-76.1	-179.3	176.7	-169.2	0	113.1	K20 C21	K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 2.99Å; K20-K24 VanDerWaalsContact O-N 3.11Å; C21-K24 PolarHBondContact O-N 2.95Å; C21-K24 VanDerWaalsContact O-N 3.15Å
25	E	64	Low	53.5	Low	117 Å²	117	94.9 Å²	94.9	55%	0.547	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2.4	-180	-68.6	176.5	-175	0	0	113.7	C21 S22 Y23 K27	C21-E25 WeakPolarHBondContact O-CG 3.33Å; C21-E25 PolarHBondContact O-N 3.31Å; S22-E25 CarbonylContact O-C 3.46Å; S22-E25 PolarHBondContact O-N 2.86Å; Y23-E25 PolarHBondContact O-N 3.18Å; E25-K27 HydrophobicContact CB-CD 4.19Å; E25-K27 HydrophobicContact CB-CG 4.15Å; E25-K27 PolarHBondContact O-N 2.83Å; E25-K27 WeakPolarHBondContact OE2-CD 3.28Å; E25-K27 WeakPolarHBondContact OE2-CE 3.38Å; E25-K27 IonicContact OE2-NZ 2.65Å; E25-K27 PolarHBondContact OE2-NZ 3.31Å
26	G	55	Low	53.7	Low	70 Å²	70	94.7 Å²	94.7	72%	0.722	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	21.5	-179.4	0	0	0	0	0	114.2	S22 Y23	S22-G26 PolarHBondContact O-N 2.72Å; Y23-G26 PolarHBondContact O-N 3.43Å
27	K	50.8	Low	53.9	Low	120 Å²	120	101.5 Å²	101.5	52%	0.522	51%	0.513	S	S	.	.			trans	-81.6	148.6	-178.6	-72.8	177.4	177.5	166.3	0	111.3	S22 E25	S22-K27 PolarHBondContact O-N 2.88Å; E25-K27 HydrophobicContact CB-CD 4.19Å; E25-K27 HydrophobicContact CB-CG 4.15Å; E25-K27 PolarHBondContact O-N 2.83Å; E25-K27 WeakPolarHBondContact OE2-CD 3.28Å; E25-K27 WeakPolarHBondContact OE2-CE 3.38Å; E25-K27 IonicContact OE2-NZ 2.65Å; E25-K27 PolarHBondContact OE2-NZ 3.31Å
28	P	47.7	Very low	54.3	Low	121 Å²	121	93.7 Å²	93.7	79%	0.786	49%	0.486	S	S	*	.			trans	-59.5	150.4	-175.5	22.1	-31.7	0	0	0	112.9	L30	P28-L30 PolarHBondContact O-N 3.11Å
29	K	51.9	Low	55.1	Low	157 Å²	157	94.2 Å²	94.2	68%	0.683	48%	0.483	S	S	*	.			trans	-45.5	123.1	-176.8	-68.7	178.2	176.4	-178.4	0	112	S31 I98	K29-S31 PolarHBondContact O-N 2.91Å; K29-I98 HydrophobicContact CD-CD1 4.43Å
30	L	45	Very low	56.2	Low	78 Å²	78	98.8 Å²	98.8	41%	0.408	50%	0.503	S	S	.	.			trans	-69.5	113.4	165	-86.1	150.2	0	0	0	108.8	V19 P28	V19-L30 HydrophobicContact CB-CD1 4.5Å; V19-L30 HydrophobicContact CG2-CB 4.15Å; V19-L30 HydrophobicContact CG2-CD1 3.64Å; P28-L30 PolarHBondContact O-N 3.11Å
31	S	45.7	Very low	57.4	Low	96 Å²	96	94.3 Å²	94.3	67%	0.671	48%	0.484	S	S	*	.			trans	-91.3	112	167	61.3	0	0	0	0	109.3	K29	K29-S31 PolarHBondContact O-N 2.91Å
32	C	44.3	Very low	58.7	Low	39 Å²	39	91.4 Å²	91.4	26%	0.264	47%	0.465	S	S	.	.			trans	-97.6	87.9	170.6	-169.6	0	0	0	0	109.2	R34 L96	C32-R34 VanDerWaalsContact C-N 3.3Å; C32-R34 PolarHBondContact O-N 3.14Å; C32-R34 VanDerWaalsContact O-N 3.16Å; C32-L96 HydrophobicContact CB-CD1 4.26Å
33	N	44	Very low	60.1	Low	115 Å²	115	95.6 Å²	95.6	62%	0.615	48%	0.479	S	S	*	.			trans	-85.7	75	171.3	-67.1	-10.5	0	0	0	108.7
34	R	46.3	Very low	61.5	Low	163 Å²	163	90.3 Å²	90.3	62%	0.615	46%	0.459	S	S	*	.			trans	-90.2	112.8	161.4	-81.9	-170.8	177	-172.1	-1.1	107.9	C32	C32-R34 VanDerWaalsContact C-N 3.3Å; C32-R34 PolarHBondContact O-N 3.14Å; C32-R34 VanDerWaalsContact O-N 3.16Å
35	H	53.6	Low	62.8	Low	142 Å²	142	82.6 Å²	82.6	66%	0.657	43%	0.425	S	S	*	.			trans	-69.9	144.4	167.8	-66.8	-70.1	0	0	0	109.2	E37	H35-E37 PolarHBondContact O-N 3.25Å
36	F	61.2	Low	64	Low	42 Å²	42	77 Å²	77	18%	0.184	40%	0.399	C	S	.	.			trans	-58.4	126.1	174	170.9	-103.7	0	0	0	111.3	A38 L62 L64 I92 L124	F36-A38 HydrophobicContact CE1-CB 4.08Å; F36-A38 HydrophobicContact CZ-CB 3.77Å; F36-L62 HydrophobicContact CD1-CD2 4.45Å; F36-L64 HydrophobicContact CD1-CD1 4.41Å; F36-L64 HydrophobicContact CE1-CD1 3.64Å; F36-L64 HydrophobicContact CZ-CD1 3.78Å; F36-I92 HydrophobicContact CB-CD1 3.75Å; F36-I92 HydrophobicContact CD1-CD1 3.45Å; F36-I92 VanDerWaalsContact CD1-CD1 3.45Å; F36-I92 HydrophobicContact CD2-CD1 3.16Å; F36-I92 HydrophobicContact CE1-CD1 3.7Å; F36-I92 HydrophobicContact CE2-CD1 3.42Å; F36-I92 VanDerWaalsContact CE2-CD1 3.42Å; F36-I92 HydrophobicContact CG-CD1 3.14Å; F36-I92 HydrophobicContact CZ-CD1 3.66Å; F36-L124 HydrophobicContact CE2-CD1 4.3Å; F36-L124 HydrophobicContact CE2-CG 4.04Å; F36-L124 HydrophobicContact CZ-CD1 3.88Å; F36-L124 HydrophobicContact CZ-CG 4.14Å
37	E	61.4	Low	65.6	Low	158 Å²	158	77.2 Å²	77.2	74%	0.738	38%	0.381	S	S	*	.			trans	-130.1	114.8	165.9	-72.9	-174	175.5	0	0	108.6	H35 N39	H35-E37 PolarHBondContact O-N 3.25Å; E37-N39 PolarHBondContact O-N 3.14Å
38	A	67.3	Low	67.4	Low	11 Å²	11	73.4 Å²	73.4	9%	0.091	37%	0.366	C	S	.	.			trans	-64.7	133.4	172.1	0	0	0	0	0	110.3	F36 T42 K43 I48	F36-A38 HydrophobicContact CE1-CB 4.08Å; F36-A38 HydrophobicContact CZ-CB 3.77Å; A38-T42 HydrophobicContact CB-CG2 4.42Å; A38-K43 HydrophobicContact CB-CG 4.3Å; A38-K43 WeakPolarHBondContact O-CE 3.48Å; A38-I48 HydrophobicContact CB-CD1 3.33Å
39	N	73.4	Confident	69.3	Low	53 Å²	53	71 Å²	71	28%	0.283	35%	0.345	S	S	.	.			trans	-55.7	143.5	174.4	-179.3	-15	0	0	0	110.3	E37 L41 T42 K43	E37-N39 PolarHBondContact O-N 3.14Å; N39-L41 PolarHBondContact O-N 2.89Å; N39-L41 PolarHBondContact OD1-N 3.12Å; N39-T42 WeakPolarHBondContact O-CA 3.38Å; N39-T42 VanDerWaalsContact O-CB 3.28Å; N39-T42 WeakPolarHBondContact O-CB 3.41Å; N39-T42 PolarHBondContact O-N 3.12Å; N39-K43 PolarHBondContact O-N 2.76Å; N39-K43 VanDerWaalsContact O-N 3.15Å
40	H	79.4	Confident	70.9	Confident	106 Å²	106	67.7 Å²	67.7	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-46.8	-40.5	172.3	168.8	-99.1	0	0	0	113.1	K43 K44	H40-K43 PolarHBondContact O-N 3.38Å; H40-K44 WeakPolarHBondContact CE1-CE 3.4Å; H40-K44 PolarHBondContact O-N 3.4Å
41	L	83	Confident	72.9	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-42.1	177.3	-67.5	177.1	0	0	0	112.2	N39 K43 K44 V45 F126 L337 K354	N39-L41 PolarHBondContact O-N 2.89Å; N39-L41 PolarHBondContact OD1-N 3.12Å; L41-K43 VanDerWaalsContact C-N 3.27Å; L41-K43 PolarHBondContact O-N 2.79Å; L41-K44 WeakPolarHBondContact O-CB 3.46Å; L41-K44 PolarHBondContact O-N 3.27Å; L41-V45 PolarHBondContact O-N 3.11Å; L41-F126 VanDerWaalsContact C-CE2 3.43Å; L41-F126 HydrophobicContact CB-CD1 4.2Å; L41-F126 HydrophobicContact CB-CD2 3.69Å; L41-F126 HydrophobicContact CB-CE1 3.99Å; L41-F126 HydrophobicContact CB-CE2 3.51Å; L41-F126 HydrophobicContact CB-CG 4.05Å; L41-F126 HydrophobicContact CB-CZ 3.67Å; L41-F126 HydrophobicContact CD1-CD1 4Å; L41-F126 HydrophobicContact CD1-CE1 3.91Å; L41-F126 HydrophobicContact CD1-CG 4.48Å; L41-F126 HydrophobicContact CD1-CZ 4.39Å; L41-F126 HydrophobicContact CG-CE1 4.46Å; L41-F126 HydrophobicContact CG-CZ 4.46Å; L41-F126 WeakPolarHBondContact O-CE2 3.27Å; L41-L337 HydrophobicContact CD2-CB 4.41Å; L41-L337 WeakPolarHBondContact CD2-O 3.11Å; L41-K354 HydrophobicContact CD1-CB 4.07Å; L41-K354 WeakPolarHBondContact CD1-O 3.47Å
42	T	84	Confident	74.5	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-56.8	-42.3	173.8	-52	0	0	0	0	111.1	A38 N39 K44 V45 F46 I48 L124 I129	A38-T42 HydrophobicContact CB-CG2 4.42Å; N39-T42 WeakPolarHBondContact O-CA 3.38Å; N39-T42 VanDerWaalsContact O-CB 3.28Å; N39-T42 WeakPolarHBondContact O-CB 3.41Å; N39-T42 PolarHBondContact O-N 3.12Å; T42-K44 PolarHBondContact O-N 3.21Å; T42-V45 WeakPolarHBondContact O-CG2 3.11Å; T42-V45 PolarHBondContact O-N 2.61Å; T42-F46 PolarHBondContact O-N 2.85Å; T42-I48 HydrophobicContact CG2-CD1 3.92Å; T42-L124 HydrophobicContact CG2-CD1 4.26Å; T42-I129 HydrophobicContact CG2-CG1 4.11Å; T42-I129 HydrophobicContact CG2-CG2 4.09Å
43	K	83.9	Confident	75.7	Confident	115 Å²	115	71.9 Å²	71.9	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-68.9	-17.5	178	-65	178.6	-178.7	175.1	0	114.1	A38 N39 H40 L41 F46 I48	A38-K43 HydrophobicContact CB-CG 4.3Å; A38-K43 WeakPolarHBondContact O-CE 3.48Å; N39-K43 PolarHBondContact O-N 2.76Å; N39-K43 VanDerWaalsContact O-N 3.15Å; H40-K43 PolarHBondContact O-N 3.38Å; L41-K43 VanDerWaalsContact C-N 3.27Å; L41-K43 PolarHBondContact O-N 2.79Å; K43-F46 CarbonylContact C-O 3.51Å; K43-F46 WeakPolarHBondContact CA-O 3.45Å; K43-I48 HydrophobicContact CG-CD1 4.33Å
44	K	86.7	Confident	76.9	Confident	15 Å²	15	68.2 Å²	68.2	7%	0.065	33%	0.327	C	S	.	.	H	α-helix	trans	-76.7	-31	173.6	-78.8	-167.8	163.7	-174.2	0	112.3	H40 L41 T42 Y336 L337 D339	H40-K44 WeakPolarHBondContact CE1-CE 3.4Å; H40-K44 PolarHBondContact O-N 3.4Å; L41-K44 WeakPolarHBondContact O-CB 3.46Å; L41-K44 PolarHBondContact O-N 3.27Å; T42-K44 PolarHBondContact O-N 3.21Å; K44-Y336 HydrophobicContact CB-CE1 3.73Å; K44-Y336 HydrophobicContact CD-CE1 4.34Å; K44-Y336 HydrophobicContact CG-CE1 4.27Å; K44-Y336 PolarHBondContact NZ-O 3.34Å; K44-Y336 VanDerWaalsContact O-CE1 3.31Å; K44-Y336 WeakPolarHBondContact O-CE1 3.44Å; K44-Y336 PolarHBondContact O-OH 2.73Å; K44-L337 HydrophobicContact CB-CD2 4.2Å; K44-L337 PolarHBondContact NZ-O 2.88Å; K44-D339 VanDerWaalsContact NZ-CB 3.31Å; K44-D339 IonicContact NZ-OD1 2.91Å; K44-D339 PolarHBondContact NZ-OD1 3.16Å
45	V	89.6	Confident	77.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-101.1	-27.2	-175.8	-65.8	0	0	0	0	113.6	L41 T42 R69 F126 I129 L130 H133 F333 L337	L41-V45 PolarHBondContact O-N 3.11Å; T42-V45 WeakPolarHBondContact O-CG2 3.11Å; T42-V45 PolarHBondContact O-N 2.61Å; V45-R69 PolarHBondContact O-N 3.32Å; V45-F126 HydrophobicContact CG1-CE2 4.28Å; V45-F126 HydrophobicContact CG1-CZ 4.5Å; V45-F126 HydrophobicContact CG2-CE2 3.86Å; V45-I129 HydrophobicContact CG2-CG2 3.5Å; V45-L130 HydrophobicContact CG1-CD2 4.34Å; V45-H133 PolarHBondContact O-CD2 2.74Å; V45-H133 PolarHBondContact O-NE2 2.65Å; V45-F333 HydrophobicContact CG1-CE2 3.81Å; V45-F333 HydrophobicContact CG1-CZ 3.57Å; V45-L337 HydrophobicContact CG1-CD2 3.82Å
46	F	89.8	Confident	77.5	Confident	1 Å²	1	68.1 Å²	68.1	0%	0.004	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.6	173.1	-76.6	-89.1	0	0	0	110.9	T42 K43 L66 V67 P68 L88 I129 A132 H133 F136	T42-F46 PolarHBondContact O-N 2.85Å; K43-F46 CarbonylContact C-O 3.51Å; K43-F46 WeakPolarHBondContact CA-O 3.45Å; F46-L66 HydrophobicContact CB-CB 4.22Å; F46-L66 HydrophobicContact CD1-CB 3.47Å; F46-L66 VanDerWaalsContact CD1-CB 3.47Å; F46-L66 HydrophobicContact CE1-CB 3.97Å; F46-L66 HydrophobicContact CG-CB 3.97Å; F46-V67 CarbonylContact C-O 3.55Å; F46-V67 VanDerWaalsContact CA-O 3.27Å; F46-V67 WeakPolarHBondContact CA-O 3.44Å; F46-P68 VanDerWaalsContact CD1-CA 3.41Å; F46-P68 HydrophobicContact CD1-CB 3.97Å; F46-P68 VanDerWaalsContact CD1-N 3.29Å; F46-P68 HydrophobicContact CE1-CB 3.51Å; F46-P68 HydrophobicContact CE1-CG 4.2Å; F46-P68 HydrophobicContact CZ-CB 4.09Å; F46-L88 HydrophobicContact CE1-CD1 4.25Å; F46-L88 HydrophobicContact CZ-CD1 4.15Å; F46-I129 HydrophobicContact CD2-CG2 3.37Å; F46-I129 HydrophobicContact CE2-CG2 3.61Å; F46-A132 HydrophobicContact CZ-CB 4.43Å; F46-H133 HydrophobicContact CE2-CB 3.68Å; F46-H133 HydrophobicContact CZ-CB 4.15Å; F46-F136 HydrophobicContact CE1-CE2 4.4Å; F46-F136 HydrophobicContact CZ-CD2 4.35Å; F46-F136 HydrophobicContact CZ-CE2 4.24Å
47	E	89.4	Confident	77.5	Confident	73 Å²	73	68.1 Å²	68.1	34%	0.341	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.8	156.1	-159.1	164	152.8	0	0	109	H49 L66 V67 R69	E47-H49 WeakPolarHBondContact CG-NE2 3.41Å; E47-H49 IonicContact OE1-CE1 2.92Å; E47-H49 PolarHBondContact OE1-CE1 3.1Å; E47-H49 IonicContact OE1-NE2 3.56Å; E47-H49 PolarHBondContact OE1-NE2 3.44Å; E47-L66 CarbonylContact O-C 3.54Å; E47-L66 WeakPolarHBondContact O-CA 3.3Å; E47-V67 HydrophobicContact CB-CB 4.09Å; E47-V67 PolarHBondContact N-O 3.26Å; E47-V67 PolarHBondContact O-N 3.12Å; E47-R69 IonicContact OE1-NH2 2.76Å; E47-R69 IonicContact OE2-CZ 3.83Å; E47-R69 IonicContact OE2-NE 2.74Å; E47-R69 PolarHBondContact OE2-NE 3.2Å; E47-R69 IonicContact OE2-NH2 2.86Å; E47-R69 PolarHBondContact OE2-NH2 3.28Å
48	I	87.2	Confident	77.8	Confident	40 Å²	40	63.6 Å²	63.6	21%	0.205	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	114.4	-174.3	-54	177.1	0	0	0	108.1	A38 T42 K43 L64 E65 L66	A38-I48 HydrophobicContact CB-CD1 3.33Å; T42-I48 HydrophobicContact CG2-CD1 3.92Å; K43-I48 HydrophobicContact CG-CD1 4.33Å; I48-L64 HydrophobicContact CG2-CB 4.32Å; I48-L64 HydrophobicContact CG2-CD1 3.97Å; I48-L64 HydrophobicContact CG2-CD2 3.92Å; I48-L64 HydrophobicContact CG2-CG 4.31Å; I48-E65 WeakPolarHBondContact CA-O 3.2Å; I48-L66 HydrophobicContact CB-CD2 4.44Å; I48-L66 HydrophobicContact CD1-CD2 4.47Å; I48-L66 HydrophobicContact CG1-CD2 3.92Å; I48-L66 HydrophobicContact CG2-CD2 4.11Å
49	H	88.8	Confident	77.8	Confident	72 Å²	72	70.9 Å²	70.9	33%	0.333	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.4	176.1	-61	-67.5	0	0	0	110.2	E47 L64 E65	E47-H49 WeakPolarHBondContact CG-NE2 3.41Å; E47-H49 IonicContact OE1-CE1 2.92Å; E47-H49 PolarHBondContact OE1-CE1 3.1Å; E47-H49 IonicContact OE1-NE2 3.56Å; E47-H49 PolarHBondContact OE1-NE2 3.44Å; H49-L64 CarbonylContact O-C 3.59Å; H49-L64 VanDerWaalsContact O-CA 3.25Å; H49-L64 WeakPolarHBondContact O-CA 3.41Å; H49-E65 HydrophobicContact CB-CB 4.28Å; H49-E65 PolarHBondContact N-O 2.85Å; H49-E65 PolarHBondContact O-N 3.04Å
50	S	85.7	Confident	77.8	Confident	86 Å²	86	71.2 Å²	71.2	60%	0.601	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.6	168	-174.8	0	0	0	0	108.7	L62	S50-L62 WeakPolarHBondContact OG-CD1 3.39Å
51	L	86.3	Confident	77.7	Confident	38 Å²	38	66.2 Å²	66.2	20%	0.199	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-89.8	150.8	171.8	-65.7	172.5	0	0	0	110.1	Q53 W63 E65 H89	L51-Q53 PolarHBondContact O-N 3.13Å; L51-W63 HydrophobicContact CB-CB 3.89Å; L51-W63 HydrophobicContact CD1-CB 4.41Å; L51-W63 PolarHBondContact N-O 3.41Å; L51-E65 HydrophobicContact CD1-CB 4.05Å; L51-E65 HydrophobicContact CD2-CB 3.87Å; L51-E65 HydrophobicContact CG-CB 3.95Å; L51-H89 HydrophobicContact CD1-CB 4.1Å
52	E	79.3	Confident	77.6	Confident	188 Å²	188	67.2 Å²	67.2	88%	0.879	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-61.3	132.1	164.5	-69.1	-172.9	171.6	0	0	108.7
53	Q	69.5	Low	77.8	Confident	75 Å²	75	67.2 Å²	67.2	35%	0.35	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62.9	132.2	-179.3	-72	-179.5	-24.4	0	0	109.3	L51 A55 T61	L51-Q53 PolarHBondContact O-N 3.13Å; Q53-A55 PolarHBondContact O-N 3.24Å; Q53-T61 PolarHBondContact NE2-O 3.29Å
54	P	68.4	Low	78	Confident	38 Å²	38	62 Å²	62	25%	0.247	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-54.3	137.8	164.4	-20.7	31.9	0	0	0	109	E56 I57 W63	P54-E56 PolarHBondContact O-N 2.95Å; P54-I57 HydrophobicContact CB-CD1 3.78Å; P54-I57 HydrophobicContact CB-CG1 4.3Å; P54-I57 HydrophobicContact CG-CD1 3.82Å; P54-I57 PolarHBondContact O-N 3.1Å; P54-W63 VanDerWaalsContact CD-CD1 3.42Å; P54-W63 HydrophobicContact CG-CZ2 4.47Å
55	A	57.1	Low	78.3	Confident	112 Å²	112	63.6 Å²	63.6	93%	0.926	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-6.9	-165.4	0	0	0	0	0	116.4	Q53	Q53-A55 PolarHBondContact O-N 3.24Å
56	E	55.9	Low	78.4	Confident	191 Å²	191	63.6 Å²	63.6	89%	0.893	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	12.9	-170.5	-64.2	-174.6	163.6	0	0	114.4	P54	P54-E56 PolarHBondContact O-N 2.95Å
57	I	61.8	Low	78.5	Confident	43 Å²	43	65.4 Å²	65.4	22%	0.221	35%	0.348	C	S	.	.	S	Bend	trans	-121.8	137.5	-161.1	-56.1	-175.4	0	0	0	114.6	P54 E59 W63 R91	P54-I57 HydrophobicContact CB-CD1 3.78Å; P54-I57 HydrophobicContact CB-CG1 4.3Å; P54-I57 HydrophobicContact CG-CD1 3.82Å; P54-I57 PolarHBondContact O-N 3.1Å; I57-E59 PolarHBondContact O-N 2.78Å; I57-W63 HydrophobicContact CD1-CZ2 3.68Å; I57-R91 VanDerWaalsContact CG2-CZ 3.46Å
58	D	66.3	Low	78.6	Confident	62 Å²	62	62.3 Å²	62.3	33%	0.332	33%	0.334	S	S	.	.			trans	-27.8	118.3	173.9	-179.7	11.5	0	0	0	115.1	N60 T61	D58-N60 PolarHBondContact O-N 2.93Å; D58-N60 VanDerWaalsContact OD1-CB 3.3Å; D58-N60 WeakPolarHBondContact OD1-CB 3.14Å; D58-N60 PolarHBondContact OD1-N 3.48Å; D58-N60 PolarHBondContact OD1-ND2 3Å; D58-T61 HydrophobicContact CB-CG2 4.47Å; D58-T61 PolarHBondContact O-N 3.15Å; D58-T61 PolarHBondContact O-OG1 3.27Å
59	E	67.8	Low	78.6	Confident	164 Å²	164	64.7 Å²	64.7	77%	0.766	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-24.4	176.1	-67.4	-175.2	164.9	0	0	112.8	I57 T61 K94	I57-E59 PolarHBondContact O-N 2.78Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 2.81Å; E59-K94 WeakPolarHBondContact O-CD 3.27Å; E59-K94 PolarHBondContact O-NZ 3Å
60	N	73.2	Confident	78	Confident	61 Å²	61	63.8 Å²	63.8	33%	0.326	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.4	-179.7	-57	-61.9	0	0	0	114.3	D58 Y93 K94	D58-N60 PolarHBondContact O-N 2.93Å; D58-N60 VanDerWaalsContact OD1-CB 3.3Å; D58-N60 WeakPolarHBondContact OD1-CB 3.14Å; D58-N60 PolarHBondContact OD1-N 3.48Å; D58-N60 PolarHBondContact OD1-ND2 3Å; N60-Y93 HydrophobicContact CB-CD1 4.5Å; N60-Y93 CarbonylContact O-C 3.58Å; N60-Y93 WeakPolarHBondContact O-CA 3.44Å; N60-K94 WeakPolarHBondContact O-CB 3.4Å; N60-K94 PolarHBondContact O-N 2.93Å
61	T	77.9	Confident	77.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.7	-179.7	57.8	0	0	0	0	113.5	Q53 D58 E59 R91 I92 Y93 K94	Q53-T61 PolarHBondContact NE2-O 3.29Å; D58-T61 HydrophobicContact CB-CG2 4.47Å; D58-T61 PolarHBondContact O-N 3.15Å; D58-T61 PolarHBondContact O-OG1 3.27Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 2.81Å; T61-R91 VanDerWaalsContact CB-NE 3.33Å; T61-R91 HydrophobicContact CG2-CG 4.38Å; T61-R91 VanDerWaalsContact CG2-NH2 3.34Å; T61-R91 PolarHBondContact OG1-NE 3.38Å; T61-R91 PolarHBondContact OG1-NH2 2.72Å; T61-R91 VanDerWaalsContact OG1-NH2 3.15Å; T61-I92 CarbonylContact C-O 3.51Å; T61-I92 WeakPolarHBondContact CA-O 3.49Å; T61-I92 WeakPolarHBondContact CB-O 3.36Å; T61-Y93 HydrophobicContact CG2-CD1 3.35Å; T61-Y93 HydrophobicContact CG2-CE1 3.45Å; T61-Y93 VanDerWaalsContact CG2-CE1 3.45Å; T61-Y93 HydrophobicContact CG2-CG 4.09Å; T61-K94 WeakPolarHBondContact O-CE 3.46Å
62	L	80.2	Confident	75.9	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.8	176.7	-177.7	65.7	0	0	0	108.5	F36 S50 L64 R91 I92 K94	F36-L62 HydrophobicContact CD1-CD2 4.45Å; S50-L62 WeakPolarHBondContact OG-CD1 3.39Å; L62-L64 HydrophobicContact CD2-CD2 3.57Å; L62-L64 HydrophobicContact CD2-CG 4.24Å; L62-L64 HydrophobicContact CG-CD2 3.78Å; L62-L64 HydrophobicContact CG-CG 4.22Å; L62-R91 WeakPolarHBondContact O-CA 3.41Å; L62-I92 HydrophobicContact CB-CG1 3.97Å; L62-I92 HydrophobicContact CD2-CD1 4.34Å; L62-I92 PolarHBondContact N-O 3.02Å; L62-I92 PolarHBondContact O-N 2.77Å; L62-K94 HydrophobicContact CB-CG 3.95Å
63	W	88.2	Confident	74.5	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.3	169.7	-77.4	90.6	0	0	0	109.4	L51 P54 I57 V90 R91 I205 H208	L51-W63 HydrophobicContact CB-CB 3.89Å; L51-W63 HydrophobicContact CD1-CB 4.41Å; L51-W63 PolarHBondContact N-O 3.41Å; P54-W63 VanDerWaalsContact CD-CD1 3.42Å; P54-W63 HydrophobicContact CG-CZ2 4.47Å; I57-W63 HydrophobicContact CD1-CZ2 3.68Å; W63-V90 WeakPolarHBondContact CA-O 3.47Å; W63-R91 HydrophobicContact CD2-CB 4.09Å; W63-R91 HydrophobicContact CD2-CG 4.33Å; W63-R91 HydrophobicContact CE3-CB 4.12Å; W63-R91 HydrophobicContact CH2-CB 4.26Å; W63-R91 HydrophobicContact CZ2-CB 4.2Å; W63-R91 HydrophobicContact CZ2-CG 4.35Å; W63-R91 HydrophobicContact CZ3-CB 4.21Å; W63-I205 HydrophobicContact CH2-CG1 4.19Å; W63-I205 HydrophobicContact CZ3-CG1 4.14Å; W63-H208 HydrophobicContact CH2-CB 3.56Å; W63-H208 AromaticContact CH2-CG 3.83Å; W63-H208 HydrophobicContact CZ2-CB 4.44Å; W63-H208 HydrophobicContact CZ3-CB 3.92Å; W63-H208 AromaticContact CZ3-CD2 3.5Å; W63-H208 VanDerWaalsContact CZ3-CD2 3.5Å; W63-H208 WeakPolarHBondContact CZ3-CD2 3.23Å; W63-H208 AromaticContact CZ3-CG 3.81Å
64	L	89.3	Confident	73.1	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.7	-178.5	-62	178.5	0	0	0	109.8	F36 I48 H49 L62 L66 H89 V90 I92	F36-L64 HydrophobicContact CD1-CD1 4.41Å; F36-L64 HydrophobicContact CE1-CD1 3.64Å; F36-L64 HydrophobicContact CZ-CD1 3.78Å; I48-L64 HydrophobicContact CG2-CB 4.32Å; I48-L64 HydrophobicContact CG2-CD1 3.97Å; I48-L64 HydrophobicContact CG2-CD2 3.92Å; I48-L64 HydrophobicContact CG2-CG 4.31Å; H49-L64 CarbonylContact O-C 3.59Å; H49-L64 VanDerWaalsContact O-CA 3.25Å; H49-L64 WeakPolarHBondContact O-CA 3.41Å; L62-L64 HydrophobicContact CD2-CD2 3.57Å; L62-L64 HydrophobicContact CD2-CG 4.24Å; L62-L64 HydrophobicContact CG-CD2 3.78Å; L62-L64 HydrophobicContact CG-CG 4.22Å; L64-L66 HydrophobicContact CB-CD2 4.35Å; L64-H89 CarbonylContact O-C 3.57Å; L64-H89 WeakPolarHBondContact O-CA 3.39Å; L64-V90 HydrophobicContact CB-CG2 3.94Å; L64-V90 PolarHBondContact N-O 3.29Å; L64-V90 PolarHBondContact O-N 2.79Å; L64-I92 HydrophobicContact CD1-CD1 3.57Å; L64-I92 HydrophobicContact CD1-CG1 3.96Å; L64-I92 HydrophobicContact CG-CD1 4.38Å; L64-I92 HydrophobicContact CG-CG1 4.39Å
65	E	92.2	Very high	72.1	Confident	49 Å²	49	67.5 Å²	67.5	23%	0.229	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.8	161.8	178.3	175.2	-148.6	0	0	108.9	I48 H49 L51 V67 S87 L88 H89	I48-E65 WeakPolarHBondContact CA-O 3.2Å; H49-E65 HydrophobicContact CB-CB 4.28Å; H49-E65 PolarHBondContact N-O 2.85Å; H49-E65 PolarHBondContact O-N 3.04Å; L51-E65 HydrophobicContact CD1-CB 4.05Å; L51-E65 HydrophobicContact CD2-CB 3.87Å; L51-E65 HydrophobicContact CG-CB 3.95Å; E65-V67 HydrophobicContact CG-CG2 3.93Å; E65-S87 WeakPolarHBondContact OE1-CB 3.41Å; E65-S87 PolarHBondContact OE1-OG 3.02Å; E65-L88 CarbonylContact C-O 3.52Å; E65-L88 WeakPolarHBondContact CA-O 3.37Å; E65-H89 IonicContact OE1-NE2 3.25Å
66	L	92.7	Very high	71.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.6	173.3	-46.7	179.9	0	0	0	108.3	F46 E47 I48 L64 S87 L88 V90 L124 I129	F46-L66 HydrophobicContact CB-CB 4.22Å; F46-L66 HydrophobicContact CD1-CB 3.47Å; F46-L66 VanDerWaalsContact CD1-CB 3.47Å; F46-L66 HydrophobicContact CE1-CB 3.97Å; F46-L66 HydrophobicContact CG-CB 3.97Å; E47-L66 CarbonylContact O-C 3.54Å; E47-L66 WeakPolarHBondContact O-CA 3.3Å; I48-L66 HydrophobicContact CB-CD2 4.44Å; I48-L66 HydrophobicContact CD1-CD2 4.47Å; I48-L66 HydrophobicContact CG1-CD2 3.92Å; I48-L66 HydrophobicContact CG2-CD2 4.11Å; L64-L66 HydrophobicContact CB-CD2 4.35Å; L66-S87 CarbonylContact O-C 3.55Å; L66-S87 VanDerWaalsContact O-CA 3.22Å; L66-S87 WeakPolarHBondContact O-CA 3.46Å; L66-S87 WeakPolarHBondContact O-CB 3.3Å; L66-L88 HydrophobicContact CB-CB 4.16Å; L66-L88 HydrophobicContact CD1-CB 4.47Å; L66-L88 HydrophobicContact CD1-CD1 4.49Å; L66-L88 PolarHBondContact N-O 3.24Å; L66-L88 PolarHBondContact O-N 3.38Å; L66-V90 HydrophobicContact CD1-CG1 4.02Å; L66-V90 HydrophobicContact CD1-CG2 3.84Å; L66-V90 HydrophobicContact CD2-CG2 4.28Å; L66-V90 HydrophobicContact CG-CG2 3.92Å; L66-L124 HydrophobicContact CD2-CD1 4.15Å; L66-I129 HydrophobicContact CD1-CD1 4.08Å
67	V	92.1	Very high	71.6	Confident	39 Å²	39	67.4 Å²	67.4	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.1	175.4	-173.3	0	0	0	0	109.1	F46 E47 E65	F46-V67 CarbonylContact C-O 3.55Å; F46-V67 VanDerWaalsContact CA-O 3.27Å; F46-V67 WeakPolarHBondContact CA-O 3.44Å; E47-V67 HydrophobicContact CB-CB 4.09Å; E47-V67 PolarHBondContact N-O 3.26Å; E47-V67 PolarHBondContact O-N 3.12Å; E65-V67 HydrophobicContact CG-CG2 3.93Å
68	P	91.6	Very high	71.5	Confident	8 Å²	8	71 Å²	71	5%	0.052	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.6	-176	29.7	-31	0	0	0	109.9	F46 L81 S86 F136 F137	F46-P68 VanDerWaalsContact CD1-CA 3.41Å; F46-P68 HydrophobicContact CD1-CB 3.97Å; F46-P68 VanDerWaalsContact CD1-N 3.29Å; F46-P68 HydrophobicContact CE1-CB 3.51Å; F46-P68 HydrophobicContact CE1-CG 4.2Å; F46-P68 HydrophobicContact CZ-CB 4.09Å; P68-L81 HydrophobicContact CG-CD1 4.47Å; P68-S86 WeakPolarHBondContact CD-O 3.34Å; P68-F136 HydrophobicContact CB-CB 3.98Å; P68-F136 HydrophobicContact CB-CD1 4.19Å; P68-F136 HydrophobicContact CB-CD2 3.96Å; P68-F136 HydrophobicContact CB-CE2 4.5Å; P68-F136 HydrophobicContact CB-CG 3.78Å; P68-F136 HydrophobicContact CG-CB 4.18Å; P68-F136 HydrophobicContact CG-CD1 3.55Å; P68-F136 HydrophobicContact CG-CD2 4.13Å; P68-F136 HydrophobicContact CG-CE1 3.85Å; P68-F136 HydrophobicContact CG-CE2 4.41Å; P68-F136 HydrophobicContact CG-CG 3.69Å; P68-F136 HydrophobicContact CG-CZ 4.28Å; P68-F137 HydrophobicContact CB-CE2 3.74Å; P68-F137 HydrophobicContact CB-CZ 4.24Å
69	R	86.4	Confident	71.4	Confident	90 Å²	90	72.8 Å²	72.8	34%	0.34	38%	0.383	S	S	.	.			trans	-104.9	120	-176.7	-73.6	-175.3	164.9	-169.2	-5.3	111.1	V45 E47 H133	V45-R69 PolarHBondContact O-N 3.32Å; E47-R69 IonicContact OE1-NH2 2.76Å; E47-R69 IonicContact OE2-CZ 3.83Å; E47-R69 IonicContact OE2-NE 2.74Å; E47-R69 PolarHBondContact OE2-NE 3.2Å; E47-R69 IonicContact OE2-NH2 2.86Å; E47-R69 PolarHBondContact OE2-NH2 3.28Å; R69-H133 PolarHBondContact O-NE2 3.16Å
70	P	75.2	Confident	71.5	Confident	53 Å²	53	72.4 Å²	72.4	34%	0.344	38%	0.381	S	S	.	.			trans	-70.7	144.2	170.5	32.8	-34.8	0	0	0	109.7	I72 F137	P70-I72 HydrophobicContact CB-CD1 3.7Å; P70-I72 HydrophobicContact CB-CG1 3.61Å; P70-I72 HydrophobicContact CG-CD1 3.45Å; P70-I72 VanDerWaalsContact CG-CD1 3.45Å; P70-I72 HydrophobicContact CG-CG1 3.72Å; P70-I72 PolarHBondContact O-N 3.05Å; P70-F137 HydrophobicContact CB-CD1 4.16Å; P70-F137 HydrophobicContact CB-CE1 3.54Å; P70-F137 HydrophobicContact CB-CE2 4.47Å; P70-F137 HydrophobicContact CB-CZ 3.71Å; P70-F137 HydrophobicContact CG-CE1 4.29Å; P70-F137 HydrophobicContact CG-CZ 4.21Å
71	V	67.8	Low	71.6	Confident	13 Å²	13	71.2 Å²	71.2	8%	0.079	37%	0.374	C	S	.	.			trans	-75.1	79.3	171.3	-176.8	0	0	0	0	107.9	L140 Q332 F333 Y336	V71-L140 HydrophobicContact CB-CD1 4.22Å; V71-L140 HydrophobicContact CB-CD2 4.07Å; V71-L140 HydrophobicContact CG2-CD1 3.68Å; V71-L140 HydrophobicContact CG2-CD2 4.14Å; V71-Q332 HydrophobicContact CG1-CG 4.28Å; V71-F333 HydrophobicContact CG2-CB 4.44Å; V71-F333 HydrophobicContact CG2-CD2 3.32Å; V71-F333 HydrophobicContact CG2-CE2 3.77Å; V71-F333 HydrophobicContact CG2-CG 4.11Å; V71-Y336 HydrophobicContact CG1-CD1 4.16Å; V71-Y336 HydrophobicContact CG1-CD2 4.3Å; V71-Y336 HydrophobicContact CG1-CG 3.81Å; V71-Y336 HydrophobicContact CG2-CD1 3.75Å; V71-Y336 HydrophobicContact CG2-CE1 4.16Å; V71-Y336 HydrophobicContact CG2-CG 4.27Å
72	I	60	Low	71.6	Confident	84 Å²	84	73 Å²	73	43%	0.431	39%	0.385	S	S	.	.			trans	-108	100.8	-179	-52.4	-179.1	0	0	0	110.1	P70	P70-I72 HydrophobicContact CB-CD1 3.7Å; P70-I72 HydrophobicContact CB-CG1 3.61Å; P70-I72 HydrophobicContact CG-CD1 3.45Å; P70-I72 VanDerWaalsContact CG-CD1 3.45Å; P70-I72 HydrophobicContact CG-CG1 3.72Å; P70-I72 PolarHBondContact O-N 3.05Å
73	H	50.4	Low	71.3	Confident	148 Å²	148	71.5 Å²	71.5	69%	0.685	38%	0.378	S	S	*	.	S	Bend	trans	-101.3	111.2	144.3	-79.2	-62.9	0	0	0	106.9
74	Q	40	Very low	70.4	Confident	191 Å²	191	73.4 Å²	73.4	89%	0.893	39%	0.388	S	S	*	.	S	Bend	trans	99.5	27.7	154.3	-54.5	179.6	-9.7	0	0	122.4
75	S	48.5	Very low	69.8	Low	67 Å²	67	74.1 Å²	74.1	47%	0.469	39%	0.392	S	S	.	.			trans	-144.8	133.8	150.4	59.6	0	0	0	0	112	D77	S75-D77 PolarHBondContact O-N 2.77Å
76	N	49.6	Very low	69.3	Low	176 Å²	176	75 Å²	75	94%	0.941	40%	0.404	S	S	*	.			trans	-76.3	13.3	176	-87	-11.2	0	0	0	112.5	S78	N76-S78 PolarHBondContact O-N 3.43Å
77	D	53.2	Low	69.2	Low	126 Å²	126	75.1 Å²	75.1	67%	0.674	41%	0.405	S	S	*	.			trans	-76.5	117.9	179.1	-64.9	-30.1	0	0	0	108	S75 L79	S75-D77 PolarHBondContact O-N 2.77Å; D77-L79 PolarHBondContact O-N 2.98Å
78	S	58.1	Low	69.2	Low	119 Å²	119	73.3 Å²	73.3	83%	0.832	39%	0.394	S	S	*	.			trans	-60.7	100.4	173	53.5	0	0	0	0	108.6	N76 E80	N76-S78 PolarHBondContact O-N 3.43Å; S78-E80 PolarHBondContact O-N 3.37Å; S78-E80 VanDerWaalsContact O-N 3.12Å
79	L	64.5	Low	69.3	Low	99 Å²	99	73.9 Å²	73.9	52%	0.518	40%	0.396	S	S	.	.			trans	-64.2	112.3	173.3	-165.9	80.2	0	0	0	107.7	D77 L81 F137	D77-L79 PolarHBondContact O-N 2.98Å; L79-L81 PolarHBondContact O-N 2.9Å; L79-L81 VanDerWaalsContact O-N 3.14Å; L79-F137 HydrophobicContact CD2-CD1 3.77Å; L79-F137 HydrophobicContact CD2-CE1 3.91Å
80	E	69.7	Low	69.5	Low	156 Å²	156	69.6 Å²	69.6	73%	0.729	38%	0.379	S	S	*	.			trans	-65.8	115.9	172.7	-167.9	-174.7	162.4	0	0	108.2	S78 K179	S78-E80 PolarHBondContact O-N 3.37Å; S78-E80 VanDerWaalsContact O-N 3.12Å; E80-K179 IonicContact OE1-NZ 3.99Å; E80-K179 PolarHBondContact OE1-NZ 2.96Å
81	L	76.7	Confident	70.1	Confident	35 Å²	35	68.1 Å²	68.1	18%	0.183	37%	0.367	C	S	.	.			trans	-65	139.5	178.9	-72	172.1	0	0	0	109.8	P68 L79 T83 F136 F137 K179	P68-L81 HydrophobicContact CG-CD1 4.47Å; L79-L81 PolarHBondContact O-N 2.9Å; L79-L81 VanDerWaalsContact O-N 3.14Å; L81-T83 PolarHBondContact O-N 3.25Å; L81-F136 HydrophobicContact CD2-CB 4.36Å; L81-F137 HydrophobicContact CD2-CD1 4.13Å; L81-F137 HydrophobicContact CD2-CE1 3.31Å; L81-F137 HydrophobicContact CD2-CZ 3.63Å; L81-K179 PolarHBondContact O-NZ 3.3Å
82	P	76.9	Confident	70.7	Confident	37 Å²	37	67.5 Å²	67.5	24%	0.24	36%	0.363	C	S	.	.	S	Bend	trans	-75.9	18	178.2	36.1	-38.3	0	0	0	112	F136 R178 K179	P82-F136 WeakPolarHBondContact CD-O 3.37Å; P82-F136 WeakPolarHBondContact CG-O 3.42Å; P82-R178 WeakPolarHBondContact O-CD 3.4Å; P82-K179 WeakPolarHBondContact O-CB 3.34Å; P82-K179 PolarHBondContact O-N 2.8Å
83	T	73.4	Confident	71.4	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.031	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-120.7	156.2	-178.3	58.7	0	0	0	0	111.5	L81 V85 F136 L177 K179	L81-T83 PolarHBondContact O-N 3.25Å; T83-V85 WeakPolarHBondContact CB-O 3.28Å; T83-V85 PolarHBondContact OG1-O 2.8Å; T83-F136 HydrophobicContact CG2-CD1 3.46Å; T83-F136 VanDerWaalsContact CG2-CD1 3.46Å; T83-F136 HydrophobicContact CG2-CE1 3.5Å; T83-F136 VanDerWaalsContact CG2-CE1 3.5Å; T83-F136 HydrophobicContact CG2-CG 4.25Å; T83-F136 HydrophobicContact CG2-CZ 4.28Å; T83-F136 WeakPolarHBondContact OG1-CD1 3.29Å; T83-F136 VanDerWaalsContact OG1-CE1 3.28Å; T83-F136 WeakPolarHBondContact OG1-CE1 3.24Å; T83-L177 CarbonylContact C-O 3.47Å; T83-L177 WeakPolarHBondContact CA-O 3.45Å; T83-L177 VanDerWaalsContact CB-O 3.26Å; T83-L177 WeakPolarHBondContact CB-O 3.42Å; T83-L177 HydrophobicContact CG2-CB 4.47Å; T83-K179 VanDerWaalsContact O-CE 3.25Å; T83-K179 WeakPolarHBondContact O-CE 3.16Å
84	I	70.7	Confident	72.2	Confident	42 Å²	42	61.7 Å²	61.7	22%	0.215	33%	0.332	C	S	.	.	S	Bend	trans	-70.6	-38.4	-177.9	-60.6	167.9	0	0	0	110.6	L177 K179 L213 F223	I84-L177 PolarHBondContact N-O 3.01Å; I84-K179 HydrophobicContact CG1-CG 4.06Å; I84-L213 HydrophobicContact CG2-CD2 4.36Å; I84-F223 HydrophobicContact CD1-CD1 4.34Å; I84-F223 HydrophobicContact CD1-CD2 3.74Å; I84-F223 HydrophobicContact CD1-CE1 4.09Å; I84-F223 HydrophobicContact CD1-CE2 3.51Å; I84-F223 HydrophobicContact CD1-CG 4.17Å; I84-F223 HydrophobicContact CD1-CZ 3.7Å
85	V	76.6	Confident	73	Confident	20 Å²	20	53.7 Å²	53.7	12%	0.121	30%	0.296	C	S	.	.	S	Bend	trans	-123.5	154.7	172	-61.1	0	0	0	0	110.5	T83 S87 L177 L213	T83-V85 WeakPolarHBondContact CB-O 3.28Å; T83-V85 PolarHBondContact OG1-O 2.8Å; V85-S87 WeakPolarHBondContact CG2-O 3.44Å; V85-L177 HydrophobicContact CG2-CD1 3.49Å; V85-L177 VanDerWaalsContact CG2-CD1 3.49Å; V85-L177 HydrophobicContact CG2-CD2 3.63Å; V85-L177 HydrophobicContact CG2-CG 4.04Å; V85-L213 HydrophobicContact CB-CD2 4.38Å; V85-L213 HydrophobicContact CG1-CD2 3.43Å; V85-L213 VanDerWaalsContact CG1-CD2 3.43Å; V85-L213 HydrophobicContact CG2-CD2 4.05Å
86	S	80.6	Confident	73.1	Confident	66 Å²	66	51.7 Å²	51.7	46%	0.462	28%	0.28	S	S	.	.	S	Bend	trans	-94.5	19.4	-175.9	61.2	0	0	0	0	113.2	P68	P68-S86 WeakPolarHBondContact CD-O 3.34Å
87	S	91.1	Very high	72.9	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.028	25%	0.252	C	S	.	.			trans	-160.4	155.2	178.5	69.7	0	0	0	0	113.6	E65 L66 V85 R212	E65-S87 WeakPolarHBondContact OE1-CB 3.41Å; E65-S87 PolarHBondContact OE1-OG 3.02Å; L66-S87 CarbonylContact O-C 3.55Å; L66-S87 VanDerWaalsContact O-CA 3.22Å; L66-S87 WeakPolarHBondContact O-CA 3.46Å; L66-S87 WeakPolarHBondContact O-CB 3.3Å; V85-S87 WeakPolarHBondContact CG2-O 3.44Å; S87-R212 PolarHBondContact O-NH2 2.93Å; S87-R212 PolarHBondContact OG-NH1 3.01Å
88	L	92.6	Very high	72.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.1	173.2	-53.3	177.4	0	0	0	109.5	F46 E65 L66 V90 A132 F136 A170 L173 A174 L177	F46-L88 HydrophobicContact CE1-CD1 4.25Å; F46-L88 HydrophobicContact CZ-CD1 4.15Å; E65-L88 CarbonylContact C-O 3.52Å; E65-L88 WeakPolarHBondContact CA-O 3.37Å; L66-L88 HydrophobicContact CB-CB 4.16Å; L66-L88 HydrophobicContact CD1-CB 4.47Å; L66-L88 HydrophobicContact CD1-CD1 4.49Å; L66-L88 PolarHBondContact N-O 3.24Å; L66-L88 PolarHBondContact O-N 3.38Å; L88-V90 HydrophobicContact CB-CG1 4.26Å; L88-A132 HydrophobicContact CD1-CB 4.23Å; L88-F136 HydrophobicContact CD1-CE2 4.26Å; L88-F136 HydrophobicContact CD2-CE2 4.21Å; L88-F136 HydrophobicContact CD2-CZ 3.81Å; L88-F136 HydrophobicContact CG-CE2 4.24Å; L88-F136 HydrophobicContact CG-CZ 4.1Å; L88-A170 HydrophobicContact CD1-CB 4.34Å; L88-L173 HydrophobicContact CB-CD2 4.11Å; L88-L173 HydrophobicContact CD2-CB 4.49Å; L88-L173 HydrophobicContact CD2-CD2 4.03Å; L88-L173 HydrophobicContact CD2-CG 3.98Å; L88-A174 HydrophobicContact CD1-CB 4.32Å; L88-A174 HydrophobicContact CD2-CB 4.29Å; L88-L177 HydrophobicContact CD2-CD1 3.46Å; L88-L177 VanDerWaalsContact CD2-CD1 3.46Å
89	H	92.8	Very high	71.1	Confident	20 Å²	20	38.4 Å²	38.4	9%	0.093	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.7	166.5	-71.4	-169.3	0	0	0	108.6	L51 L64 E65 I205 H208 N209 R212	L51-H89 HydrophobicContact CD1-CB 4.1Å; L64-H89 CarbonylContact O-C 3.57Å; L64-H89 WeakPolarHBondContact O-CA 3.39Å; E65-H89 IonicContact OE1-NE2 3.25Å; H89-I205 WeakPolarHBondContact O-CG2 3.35Å; H89-H208 AromaticContact CG-NE2 3.86Å; H89-H208 AromaticContact ND1-CD2 3.63Å; H89-H208 AromaticContact ND1-NE2 3.07Å; H89-H208 PolarHBondContact ND1-NE2 2.65Å; H89-N209 PolarHBondContact N-OD1 3.26Å; H89-N209 PolarHBondContact O-ND2 2.76Å; H89-R212 PolarHBondContact CD2-NH1 2.81Å; H89-R212 WeakPolarHBondContact CE1-CD 3.28Å; H89-R212 WeakPolarHBondContact ND1-CD 3.41Å; H89-R212 PolarHBondContact NE2-NH1 3.42Å
90	V	91.8	Very high	69.8	Low	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	162.7	-180	-58.4	0	0	0	0	110.8	W63 L64 L66 L88 T168 L173 I205	W63-V90 WeakPolarHBondContact CA-O 3.47Å; L64-V90 HydrophobicContact CB-CG2 3.94Å; L64-V90 PolarHBondContact N-O 3.29Å; L64-V90 PolarHBondContact O-N 2.79Å; L66-V90 HydrophobicContact CD1-CG1 4.02Å; L66-V90 HydrophobicContact CD1-CG2 3.84Å; L66-V90 HydrophobicContact CD2-CG2 4.28Å; L66-V90 HydrophobicContact CG-CG2 3.92Å; L88-V90 HydrophobicContact CB-CG1 4.26Å; V90-T168 HydrophobicContact CB-CG2 4.27Å; V90-L173 HydrophobicContact CG1-CD2 4.46Å; V90-I205 HydrophobicContact CB-CD1 4.43Å
91	R	87.5	Confident	68.2	Low	22 Å²	22	39.8 Å²	39.8	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.5	179	-174.7	-178.2	176.2	-155.7	-8.5	109.3	I57 T61 L62 W63 S204 I205	I57-R91 VanDerWaalsContact CG2-CZ 3.46Å; T61-R91 VanDerWaalsContact CB-NE 3.33Å; T61-R91 HydrophobicContact CG2-CG 4.38Å; T61-R91 VanDerWaalsContact CG2-NH2 3.34Å; T61-R91 PolarHBondContact OG1-NE 3.38Å; T61-R91 PolarHBondContact OG1-NH2 2.72Å; T61-R91 VanDerWaalsContact OG1-NH2 3.15Å; L62-R91 WeakPolarHBondContact O-CA 3.41Å; W63-R91 HydrophobicContact CD2-CB 4.09Å; W63-R91 HydrophobicContact CD2-CG 4.33Å; W63-R91 HydrophobicContact CE3-CB 4.12Å; W63-R91 HydrophobicContact CH2-CB 4.26Å; W63-R91 HydrophobicContact CZ2-CB 4.2Å; W63-R91 HydrophobicContact CZ2-CG 4.35Å; W63-R91 HydrophobicContact CZ3-CB 4.21Å; R91-S204 PolarHBondContact NH1-OG 3.01Å; R91-I205 HydrophobicContact CB-CD1 3.87Å; R91-I205 HydrophobicContact CB-CG1 3.68Å; R91-I205 VanDerWaalsContact N-CD1 3.34Å
92	I	80.7	Confident	66.4	Low	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.9	176.7	62.1	163.4	0	0	0	112.1	F36 T61 L62 L64 L124 M167 T168	F36-I92 HydrophobicContact CB-CD1 3.75Å; F36-I92 HydrophobicContact CD1-CD1 3.45Å; F36-I92 VanDerWaalsContact CD1-CD1 3.45Å; F36-I92 HydrophobicContact CD2-CD1 3.16Å; F36-I92 HydrophobicContact CE1-CD1 3.7Å; F36-I92 HydrophobicContact CE2-CD1 3.42Å; F36-I92 VanDerWaalsContact CE2-CD1 3.42Å; F36-I92 HydrophobicContact CG-CD1 3.14Å; F36-I92 HydrophobicContact CZ-CD1 3.66Å; T61-I92 CarbonylContact C-O 3.51Å; T61-I92 WeakPolarHBondContact CA-O 3.49Å; T61-I92 WeakPolarHBondContact CB-O 3.36Å; L62-I92 HydrophobicContact CB-CG1 3.97Å; L62-I92 HydrophobicContact CD2-CD1 4.34Å; L62-I92 PolarHBondContact N-O 3.02Å; L62-I92 PolarHBondContact O-N 2.77Å; L64-I92 HydrophobicContact CD1-CD1 3.57Å; L64-I92 HydrophobicContact CD1-CG1 3.96Å; L64-I92 HydrophobicContact CG-CD1 4.38Å; L64-I92 HydrophobicContact CG-CG1 4.39Å; I92-L124 HydrophobicContact CG2-CD2 4.06Å; I92-M167 VanDerWaalsContact CA-CE 3.42Å; I92-M167 WeakPolarHBondContact CA-SD 3.17Å; I92-M167 HydrophobicContact CB-CE 4.48Å; I92-M167 HydrophobicContact CB-SD 3.89Å; I92-M167 HydrophobicContact CG2-CG 4.47Å; I92-M167 HydrophobicContact CG2-SD 4.04Å; I92-T168 HydrophobicContact CG2-CG2 3.87Å
93	Y	74	Confident	64.6	Low	40 Å²	40	49 Å²	49	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.2	171.3	-69.9	-78.1	0	0	0	110	N60 T61 T95 N121 M167 Q197	N60-Y93 HydrophobicContact CB-CD1 4.5Å; N60-Y93 CarbonylContact O-C 3.58Å; N60-Y93 WeakPolarHBondContact O-CA 3.44Å; T61-Y93 HydrophobicContact CG2-CD1 3.35Å; T61-Y93 HydrophobicContact CG2-CE1 3.45Å; T61-Y93 VanDerWaalsContact CG2-CE1 3.45Å; T61-Y93 HydrophobicContact CG2-CG 4.09Å; Y93-T95 VanDerWaalsContact C-N 3.3Å; Y93-T95 PolarHBondContact O-N 3.16Å; Y93-N121 WeakPolarHBondContact CB-O 3.43Å; Y93-N121 HydrophobicContact CD2-CB 4.1Å; Y93-N121 VanDerWaalsContact CD2-O 3.28Å; Y93-N121 WeakPolarHBondContact CD2-O 3.4Å; Y93-M167 HydrophobicContact CD2-CE 3.16Å; Y93-M167 HydrophobicContact CD2-SD 4.13Å; Y93-M167 HydrophobicContact CE2-CE 3.52Å; Y93-M167 HydrophobicContact CG-CE 3.95Å; Y93-M167 VanDerWaalsContact N-CE 3.3Å; Y93-Q197 HydrophobicContact CE2-CB 4.45Å
94	K	67	Low	63.1	Low	71 Å²	71	55.3 Å²	55.3	31%	0.309	32%	0.318	S	S	.	.	S	Bend	trans	-64	-36.6	179.2	-73.1	176.7	-178.7	157.6	0	112.2	E59 N60 T61 L62	E59-K94 WeakPolarHBondContact O-CD 3.27Å; E59-K94 PolarHBondContact O-NZ 3Å; N60-K94 WeakPolarHBondContact O-CB 3.4Å; N60-K94 PolarHBondContact O-N 2.93Å; T61-K94 WeakPolarHBondContact O-CE 3.46Å; L62-K94 HydrophobicContact CB-CG 3.95Å
95	T	57.8	Low	61.8	Low	22 Å²	22	58 Å²	58	14%	0.135	34%	0.34	C	S	.	.	S	Bend	trans	-152.1	164.3	-179.3	58.9	0	0	0	0	108.6	Y93 G97	Y93-T95 VanDerWaalsContact C-N 3.3Å; Y93-T95 PolarHBondContact O-N 3.16Å; T95-G97 PolarHBondContact O-N 2.94Å
96	L	50.9	Low	60.3	Low	25 Å²	25	61.8 Å²	61.8	13%	0.131	36%	0.357	C	S	.	.			trans	-68.8	72.8	161.4	-73.8	143.1	0	0	0	108.8	W12 C32 V112 V122	W12-L96 HydrophobicContact CH2-CD1 3.44Å; W12-L96 VanDerWaalsContact CH2-CD1 3.44Å; W12-L96 HydrophobicContact CH2-CD2 3.65Å; W12-L96 HydrophobicContact CH2-CG 3.89Å; W12-L96 HydrophobicContact CZ3-CD1 3.48Å; W12-L96 VanDerWaalsContact CZ3-CD1 3.48Å; W12-L96 HydrophobicContact CZ3-CD2 3.58Å; W12-L96 HydrophobicContact CZ3-CG 4.06Å; C32-L96 HydrophobicContact CB-CD1 4.26Å; L96-V112 HydrophobicContact CD2-CG1 4.13Å; L96-V122 HydrophobicContact CG-CG1 4.18Å
97	G	43.7	Very low	59	Low	34 Å²	34	60.1 Å²	60.1	35%	0.351	34%	0.343	S	S	.	.			trans	-80.6	124.9	-178.2	0	0	0	0	0	110.5	T95 A99	T95-G97 PolarHBondContact O-N 2.94Å; G97-A99 PolarHBondContact O-N 3.1Å; G97-A99 VanDerWaalsContact O-N 3.16Å
98	I	38.2	Very low	57.2	Low	54 Å²	54	61 Å²	61	28%	0.277	35%	0.349	S	S	.	.			trans	-62.8	113.8	170.2	-51.5	179.5	0	0	0	107	K29 K100 P108 L109	K29-I98 HydrophobicContact CD-CD1 4.43Å; I98-K100 PolarHBondContact O-N 2.95Å; I98-P108 HydrophobicContact CG2-CB 4.46Å; I98-L109 HydrophobicContact CD1-CB 4.37Å; I98-L109 HydrophobicContact CD1-CD2 4.14Å; I98-L109 HydrophobicContact CG1-CB 4.12Å; I98-L109 HydrophobicContact CG1-CD1 4.23Å; I98-L109 HydrophobicContact CG1-CD2 4.38Å; I98-L109 HydrophobicContact CG1-CG 4.47Å
99	A	35.4	Very low	55.1	Low	54 Å²	54	61.6 Å²	61.6	45%	0.446	35%	0.352	S	S	.	.			trans	-52.5	119.4	163.8	0	0	0	0	0	107.2	G97 T101 P108	G97-A99 PolarHBondContact O-N 3.1Å; G97-A99 VanDerWaalsContact O-N 3.16Å; A99-T101 VanDerWaalsContact C-N 3.25Å; A99-T101 PolarHBondContact O-N 3.49Å; A99-P108 HydrophobicContact CB-CB 4.4Å; A99-P108 WeakPolarHBondContact O-CG 3.46Å
100	K	37.2	Very low	53.1	Low	202 Å²	202	61.4 Å²	61.4	88%	0.878	35%	0.351	S	S	*	.			trans	-67.4	87.9	176.4	-74.4	178.6	-179.8	169.8	0	107.9	I98	I98-K100 PolarHBondContact O-N 2.95Å
101	T	37.5	Very low	51.3	Low	82 Å²	82	65.2 Å²	65.2	50%	0.503	37%	0.372	S	S	.	.			trans	-80.8	118.8	162.9	54.4	0	0	0	0	107.5	A99 D103 P108	A99-T101 VanDerWaalsContact C-N 3.25Å; A99-T101 PolarHBondContact O-N 3.49Å; T101-D103 PolarHBondContact O-N 2.99Å; T101-P108 HydrophobicContact CG2-CG 3.77Å; T101-P108 VanDerWaalsContact OG1-CG 3.24Å; T101-P108 WeakPolarHBondContact OG1-CG 3.41Å
102	T	37.4	Very low	49.7	Very low	139 Å²	139	65.3 Å²	65.3	85%	0.853	37%	0.374	S	S	*	.			trans	-76.7	7.7	175	39.7	0	0	0	0	113
103	D	40.2	Very low	48.2	Very low	128 Å²	128	66.4 Å²	66.4	68%	0.684	38%	0.38	S	S	*	.	S	Bend	trans	-120.1	137.1	-176.8	-75.9	-42.4	0	0	0	112.8	T101 C105	T101-D103 PolarHBondContact O-N 2.99Å; D103-C105 PolarHBondContact O-N 3.34Å
104	S	42.3	Very low	46.9	Very low	136 Å²	136	67.9 Å²	67.9	95%	0.951	39%	0.393	S	S	*	.	S	Bend	trans	-63.3	24	-170.9	63.2	0	0	0	0	117.5
105	C	41.6	Very low	46.2	Very low	99 Å²	99	66.5 Å²	66.5	67%	0.669	40%	0.399	S	S	*	.	S	Bend	trans	-118.5	114.5	-177	-169	0	0	0	0	110.1	D103	D103-C105 PolarHBondContact O-N 3.34Å
106	M	45.9	Very low	46	Very low	100 Å²	100	68 Å²	68	49%	0.493	40%	0.404	S	S	.	.	S	Bend	trans	51.8	120.8	169.6	-65.5	-68	-78.4	0	0	116.8	P108	M106-P108 VanDerWaalsContact O-CD 3.23Å; M106-P108 WeakPolarHBondContact O-CD 3.32Å
107	N	53.5	Low	46.4	Very low	31 Å²	31	69.4 Å²	69.4	17%	0.166	41%	0.412	C	S	.	.			trans	-63.4	118.1	-177.4	-173.3	-3.8	0	0	0	110.1	L109 L110 D111	N107-L109 PolarHBondContact O-N 3.03Å; N107-L109 WeakPolarHBondContact OD1-CB 3.37Å; N107-L109 PolarHBondContact OD1-N 3.48Å; N107-L110 HydrophobicContact CB-CB 4.27Å; N107-L110 WeakPolarHBondContact O-CA 3.18Å; N107-L110 WeakPolarHBondContact O-CB 3.2Å; N107-L110 PolarHBondContact O-N 3.04Å; N107-D111 PolarHBondContact O-N 3.17Å
108	P	53.2	Low	47	Very low	22 Å²	22	68.2 Å²	68.2	14%	0.143	40%	0.398	C	S	.	.	H	α-helix	trans	-55.3	-28.4	178.9	-26.9	35.8	0	0	0	112.5	I98 A99 T101 M106 L110 D111 V112	I98-P108 HydrophobicContact CG2-CB 4.46Å; A99-P108 HydrophobicContact CB-CB 4.4Å; A99-P108 WeakPolarHBondContact O-CG 3.46Å; T101-P108 HydrophobicContact CG2-CG 3.77Å; T101-P108 VanDerWaalsContact OG1-CG 3.24Å; T101-P108 WeakPolarHBondContact OG1-CG 3.41Å; M106-P108 VanDerWaalsContact O-CD 3.23Å; M106-P108 WeakPolarHBondContact O-CD 3.32Å; P108-L110 VanDerWaalsContact C-N 3.34Å; P108-D111 PolarHBondContact O-N 3.26Å; P108-V112 WeakPolarHBondContact O-CB 3.34Å; P108-V112 WeakPolarHBondContact O-CG2 3.47Å; P108-V112 PolarHBondContact O-N 3.21Å
109	L	48.1	Very low	47.8	Very low	13 Å²	13	66.3 Å²	66.3	7%	0.068	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-35.9	174.1	-171.7	65.4	0	0	0	112.6	V19 I98 N107 L113	V19-L109 HydrophobicContact CG1-CD2 4.43Å; I98-L109 HydrophobicContact CD1-CB 4.37Å; I98-L109 HydrophobicContact CD1-CD2 4.14Å; I98-L109 HydrophobicContact CG1-CB 4.12Å; I98-L109 HydrophobicContact CG1-CD1 4.23Å; I98-L109 HydrophobicContact CG1-CD2 4.38Å; I98-L109 HydrophobicContact CG1-CG 4.47Å; N107-L109 PolarHBondContact O-N 3.03Å; N107-L109 WeakPolarHBondContact OD1-CB 3.37Å; N107-L109 PolarHBondContact OD1-N 3.48Å; L109-L113 HydrophobicContact CD1-CD1 3.99Å; L109-L113 HydrophobicContact CD1-CG 4.3Å; L109-L113 HydrophobicContact CD2-CD1 4.45Å; L109-L113 HydrophobicContact CG-CD1 3.82Å; L109-L113 HydrophobicContact CG-CG 4.42Å; L109-L113 VanDerWaalsContact O-CB 3.24Å; L109-L113 WeakPolarHBondContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3Å
110	L	50.2	Low	48.8	Very low	16 Å²	16	64 Å²	64	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-72	-40.6	177.2	-164.1	72.4	0	0	0	109.9	V19 K20 Y23 N107 P108 L113 T114	V19-L110 HydrophobicContact CG1-CD1 4.06Å; K20-L110 HydrophobicContact CB-CD1 4.35Å; Y23-L110 HydrophobicContact CD1-CD2 4.26Å; Y23-L110 HydrophobicContact CE1-CD2 4.44Å; N107-L110 HydrophobicContact CB-CB 4.27Å; N107-L110 WeakPolarHBondContact O-CA 3.18Å; N107-L110 WeakPolarHBondContact O-CB 3.2Å; N107-L110 PolarHBondContact O-N 3.04Å; P108-L110 VanDerWaalsContact C-N 3.34Å; L110-L113 CarbonylContact O-C 3.59Å; L110-L113 PolarHBondContact O-N 3.24Å; L110-T114 HydrophobicContact CD1-CG2 3.88Å; L110-T114 HydrophobicContact CG-CG2 4.01Å; L110-T114 WeakPolarHBondContact O-CA 3.46Å; L110-T114 WeakPolarHBondContact O-CB 3.39Å; L110-T114 WeakPolarHBondContact O-CG2 3.37Å; L110-T114 PolarHBondContact O-N 3.4Å; L110-T114 PolarHBondContact O-OG1 2.9Å
111	D	54.7	Low	49.8	Very low	80 Å²	80	54.5 Å²	54.5	43%	0.428	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-38.5	176.3	-64.2	-18.7	0	0	0	111.4	N107 P108 G115	N107-D111 PolarHBondContact O-N 3.17Å; P108-D111 PolarHBondContact O-N 3.26Å; D111-G115 VanDerWaalsContact O-CA 3.22Å; D111-G115 WeakPolarHBondContact O-CA 3.27Å; D111-G115 PolarHBondContact O-N 3.42Å
112	V	53.9	Low	50.9	Low	23 Å²	23	52 Å²	52	14%	0.139	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-45.9	169.8	160.4	0	0	0	0	110.7	L96 P108 N118	L96-V112 HydrophobicContact CD2-CG1 4.13Å; P108-V112 WeakPolarHBondContact O-CB 3.34Å; P108-V112 WeakPolarHBondContact O-CG2 3.47Å; P108-V112 PolarHBondContact O-N 3.21Å; V112-N118 WeakPolarHBondContact CA-ND2 2.99Å; V112-N118 WeakPolarHBondContact CG1-ND2 3.35Å; V112-N118 PolarHBondContact O-ND2 3.19Å; V112-N118 PolarHBondContact O-OD1 3.15Å
113	L	49.9	Very low	52.5	Low	24 Å²	24	48.5 Å²	48.5	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-84.5	-16.1	-176	-66.8	173.4	0	0	0	114.4	W12 A16 V19 L109 L110	W12-L113 HydrophobicContact CE3-CD2 4.27Å; W12-L113 HydrophobicContact CZ3-CD2 4.19Å; A16-L113 HydrophobicContact CB-CB 4.21Å; A16-L113 WeakPolarHBondContact CB-O 3.48Å; V19-L113 HydrophobicContact CB-CD1 3.75Å; V19-L113 HydrophobicContact CG1-CD1 3.86Å; V19-L113 HydrophobicContact CG2-CD1 3.48Å; V19-L113 VanDerWaalsContact CG2-CD1 3.48Å; L109-L113 HydrophobicContact CD1-CD1 3.99Å; L109-L113 HydrophobicContact CD1-CG 4.3Å; L109-L113 HydrophobicContact CD2-CD1 4.45Å; L109-L113 HydrophobicContact CG-CD1 3.82Å; L109-L113 HydrophobicContact CG-CG 4.42Å; L109-L113 VanDerWaalsContact O-CB 3.24Å; L109-L113 WeakPolarHBondContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3Å; L110-L113 CarbonylContact O-C 3.59Å; L110-L113 PolarHBondContact O-N 3.24Å
114	T	47	Very low	54.2	Low	70 Å²	70	42.4 Å²	42.4	43%	0.429	26%	0.255	S	S	.	.	H	α-helix	trans	-118.2	-8.2	-177.2	67.5	0	0	0	0	114.2	L110	L110-T114 HydrophobicContact CD1-CG2 3.88Å; L110-T114 HydrophobicContact CG-CG2 4.01Å; L110-T114 WeakPolarHBondContact O-CA 3.46Å; L110-T114 WeakPolarHBondContact O-CB 3.39Å; L110-T114 WeakPolarHBondContact O-CG2 3.37Å; L110-T114 PolarHBondContact O-N 3.4Å; L110-T114 PolarHBondContact O-OG1 2.9Å
115	G	52	Low	56.1	Low	42 Å²	42	37.6 Å²	37.6	43%	0.433	22%	0.216	S	C	.	.	S	Bend	trans	-71.7	-179.3	170.8	0	0	0	0	0	112.3	D111 D117	D111-G115 VanDerWaalsContact O-CA 3.22Å; D111-G115 WeakPolarHBondContact O-CA 3.27Å; D111-G115 PolarHBondContact O-N 3.42Å; G115-D117 PolarHBondContact O-N 2.96Å
116	F	52.5	Low	58.3	Low	55 Å²	55	33.7 Å²	33.7	24%	0.241	19%	0.187	C	C	.	.	S	Bend	trans	-54.8	140.9	175.1	-165.6	-93.7	0	0	0	109.8	N118 N195 Y271	F116-N118 PolarHBondContact O-OD1 3.5Å; F116-N195 PolarHBondContact O-ND2 2.79Å; F116-Y271 HydrophobicContact CE2-CE1 4.41Å
117	D	60.2	Low	60.4	Low	53 Å²	53	29.1 Å²	29.1	28%	0.283	17%	0.165	S	C	.	.			trans	-38.5	132.9	-159.8	-172.7	19.2	0	0	0	115.9	G115 T119 N195 F267	G115-D117 PolarHBondContact O-N 2.96Å; D117-T119 WeakPolarHBondContact OD1-CB 3.15Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.31Å; D117-T119 PolarHBondContact OD1-N 3.31Å; D117-T119 PolarHBondContact OD1-OG1 3.49Å; D117-T119 WeakPolarHBondContact OD2-CB 3.33Å; D117-T119 VanDerWaalsContact OD2-CG2 3.23Å; D117-T119 WeakPolarHBondContact OD2-CG2 3.34Å; D117-T119 PolarHBondContact OD2-OG1 2.92Å; D117-N195 PolarHBondContact O-ND2 2.93Å; D117-F267 VanDerWaalsContact OD2-CE2 3.28Å; D117-F267 WeakPolarHBondContact OD2-CE2 3.2Å; D117-F267 WeakPolarHBondContact OD2-CZ 3.18Å
118	N	55.9	Low	62.3	Low	10 Å²	10	28.1 Å²	28.1	5%	0.053	16%	0.159	C	C	.	.			trans	-104.7	4.3	-177.3	-93.4	31.8	0	0	0	113.2	V112 F116 G120 N121 N195	V112-N118 WeakPolarHBondContact CA-ND2 2.99Å; V112-N118 WeakPolarHBondContact CG1-ND2 3.35Å; V112-N118 PolarHBondContact O-ND2 3.19Å; V112-N118 PolarHBondContact O-OD1 3.15Å; F116-N118 PolarHBondContact O-OD1 3.5Å; N118-G120 PolarHBondContact O-N 2.9Å; N118-G120 VanDerWaalsContact O-N 3.14Å; N118-N121 PolarHBondContact ND2-ND2 3.47Å; N118-N121 WeakPolarHBondContact O-CB 3.28Å; N118-N121 PolarHBondContact O-N 3.11Å; N118-N121 PolarHBondContact OD1-ND2 3.06Å; N118-N195 PolarHBondContact OD1-ND2 2.89Å
119	T	56.1	Low	64.1	Low	13 Å²	13	27.1 Å²	27.1	8%	0.08	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-50.8	-34.7	177.9	53.4	0	0	0	0	113.4	W12 D117 N121 W125	W12-T119 HydrophobicContact CG-CG2 4.1Å; D117-T119 WeakPolarHBondContact OD1-CB 3.15Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.31Å; D117-T119 PolarHBondContact OD1-N 3.31Å; D117-T119 PolarHBondContact OD1-OG1 3.49Å; D117-T119 WeakPolarHBondContact OD2-CB 3.33Å; D117-T119 VanDerWaalsContact OD2-CG2 3.23Å; D117-T119 WeakPolarHBondContact OD2-CG2 3.34Å; D117-T119 PolarHBondContact OD2-OG1 2.92Å; T119-N121 VanDerWaalsContact C-N 3.35Å; T119-N121 PolarHBondContact O-N 2.84Å; T119-W125 HydrophobicContact CG2-CZ2 4.44Å; T119-W125 PolarHBondContact O-NE1 2.82Å
120	G	54.8	Low	66.3	Low	6 Å²	6	26.5 Å²	26.5	6%	0.062	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-74.5	-12.7	179.8	0	0	0	0	0	115.9	N118 V122 M167	N118-G120 PolarHBondContact O-N 2.9Å; N118-G120 VanDerWaalsContact O-N 3.14Å; G120-V122 PolarHBondContact O-N 3.33Å; G120-M167 WeakPolarHBondContact O-CG 3.36Å; G120-M167 PolarHBondContact O-N 3.4Å
121	N	58.3	Low	68.4	Low	3 Å²	3	25.7 Å²	25.7	2%	0.016	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-81.5	-10.6	-168.2	-73.3	-31.2	0	0	0	115.5	Y93 N118 T119 N195 Q197 C198	Y93-N121 WeakPolarHBondContact CB-O 3.43Å; Y93-N121 HydrophobicContact CD2-CB 4.1Å; Y93-N121 VanDerWaalsContact CD2-O 3.28Å; Y93-N121 WeakPolarHBondContact CD2-O 3.4Å; N118-N121 PolarHBondContact ND2-ND2 3.47Å; N118-N121 WeakPolarHBondContact O-CB 3.28Å; N118-N121 PolarHBondContact O-N 3.11Å; N118-N121 PolarHBondContact OD1-ND2 3.06Å; T119-N121 VanDerWaalsContact C-N 3.35Å; T119-N121 PolarHBondContact O-N 2.84Å; N121-N195 PolarHBondContact ND2-ND2 3.03Å; N121-Q197 PolarHBondContact ND2-OE1 2.64Å; N121-C198 PolarHBondContact OD1-SG 3.46Å
122	V	61.4	Low	70.3	Confident	28 Å²	28	21.9 Å²	21.9	17%	0.17	13%	0.125	C	C	.	.	S	Bend	trans	-142.4	8.1	-174.7	-66.7	0	0	0	0	113.9	W12 L96 G120	W12-V122 HydrophobicContact CH2-CG2 3.64Å; W12-V122 HydrophobicContact CZ2-CG2 3.5Å; W12-V122 VanDerWaalsContact CZ2-CG2 3.5Å; L96-V122 HydrophobicContact CG-CG1 4.18Å; G120-V122 PolarHBondContact O-N 3.33Å
123	H	70	Confident	72.2	Confident	66 Å²	66	20.8 Å²	20.8	31%	0.306	12%	0.119	S	C	.	.			trans	-137.6	139.9	-174.2	-148.2	67.5	0	0	0	111.6
124	L	77	Confident	74.3	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.113	C	C	.	.			trans	-88.3	106.8	163.6	-64.7	-179.3	0	0	0	107.3	F36 T42 L66 I92 F126 I129 T168	F36-L124 HydrophobicContact CE2-CD1 4.3Å; F36-L124 HydrophobicContact CE2-CG 4.04Å; F36-L124 HydrophobicContact CZ-CD1 3.88Å; F36-L124 HydrophobicContact CZ-CG 4.14Å; T42-L124 HydrophobicContact CG2-CD1 4.26Å; L66-L124 HydrophobicContact CD2-CD1 4.15Å; I92-L124 HydrophobicContact CG2-CD2 4.06Å; L124-F126 PolarHBondContact O-N 3.33Å; L124-I129 HydrophobicContact CB-CD1 4.07Å; L124-I129 HydrophobicContact CB-CG1 3.98Å; L124-I129 HydrophobicContact CD1-CD1 4.22Å; L124-I129 HydrophobicContact CD2-CD1 4.27Å; L124-I129 HydrophobicContact CG-CD1 4.41Å; L124-T168 HydrophobicContact CD2-CG2 3.63Å
125	W	82.6	Confident	76.5	Confident	35 Å²	35	16.3 Å²	16.3	13%	0.133	9%	0.092	C	C	.	.			trans	-70.9	130.8	179.7	-67.2	94.9	0	0	0	110	S8 T119 S127 E128 I129 R298	S8-W125 VanDerWaalsContact OG-CH2 3.22Å; S8-W125 WeakPolarHBondContact OG-CH2 3.44Å; T119-W125 HydrophobicContact CG2-CZ2 4.44Å; T119-W125 PolarHBondContact O-NE1 2.82Å; W125-S127 PolarHBondContact O-N 3.05Å; W125-E128 HydrophobicContact CB-CB 4.2Å; W125-E128 WeakPolarHBondContact O-CB 3.18Å; W125-E128 PolarHBondContact O-N 2.71Å; W125-I129 WeakPolarHBondContact O-CG1 3.22Å; W125-I129 PolarHBondContact O-N 2.87Å; W125-R298 VanDerWaalsContact CZ3-NH2 3.31Å
126	F	87	Confident	78.4	Confident	16 Å²	16	14.4 Å²	14.4	7%	0.07	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-33.2	-174.9	-173.2	-119.1	0	0	0	112.4	L41 V45 L124 I129 L130 L337 K354 I355	L41-F126 VanDerWaalsContact C-CE2 3.43Å; L41-F126 HydrophobicContact CB-CD1 4.2Å; L41-F126 HydrophobicContact CB-CD2 3.69Å; L41-F126 HydrophobicContact CB-CE1 3.99Å; L41-F126 HydrophobicContact CB-CE2 3.51Å; L41-F126 HydrophobicContact CB-CG 4.05Å; L41-F126 HydrophobicContact CB-CZ 3.67Å; L41-F126 HydrophobicContact CD1-CD1 4Å; L41-F126 HydrophobicContact CD1-CE1 3.91Å; L41-F126 HydrophobicContact CD1-CG 4.48Å; L41-F126 HydrophobicContact CD1-CZ 4.39Å; L41-F126 HydrophobicContact CG-CE1 4.46Å; L41-F126 HydrophobicContact CG-CZ 4.46Å; L41-F126 WeakPolarHBondContact O-CE2 3.27Å; V45-F126 HydrophobicContact CG1-CE2 4.28Å; V45-F126 HydrophobicContact CG1-CZ 4.5Å; V45-F126 HydrophobicContact CG2-CE2 3.86Å; L124-F126 PolarHBondContact O-N 3.33Å; F126-I129 PolarHBondContact O-N 2.87Å; F126-L130 HydrophobicContact CD1-CD1 3.79Å; F126-L130 HydrophobicContact CD1-CG 4.07Å; F126-L130 HydrophobicContact CD2-CG 4.43Å; F126-L130 HydrophobicContact CE1-CD1 3.44Å; F126-L130 VanDerWaalsContact CE1-CD1 3.44Å; F126-L130 HydrophobicContact CE1-CD2 4.02Å; F126-L130 HydrophobicContact CE1-CG 3.69Å; F126-L130 HydrophobicContact CE2-CD2 4.12Å; F126-L130 HydrophobicContact CE2-CG 4.03Å; F126-L130 HydrophobicContact CG-CG 4.44Å; F126-L130 HydrophobicContact CZ-CD1 3.92Å; F126-L130 HydrophobicContact CZ-CD2 3.59Å; F126-L130 HydrophobicContact CZ-CG 3.65Å; F126-L130 WeakPolarHBondContact O-CB 3.25Å; F126-L130 WeakPolarHBondContact O-CG 3.08Å; F126-L130 PolarHBondContact O-N 2.89Å; F126-L337 HydrophobicContact CZ-CD1 4.24Å; F126-L337 HydrophobicContact CZ-CD2 3.91Å; F126-K354 WeakPolarHBondContact CD1-O 3.16Å; F126-I355 HydrophobicContact CE1-CG1 4.37Å
127	S	90.9	Very high	80.2	Confident	5 Å²	5	12 Å²	12	4%	0.035	6%	0.061	C	C	.	.	H	α-helix	trans	-61.3	-42.3	173	-52.3	0	0	0	0	113	W125 L130 L131 I294	W125-S127 PolarHBondContact O-N 3.05Å; S127-L130 PolarHBondContact O-N 3.07Å; S127-L131 WeakPolarHBondContact O-CB 3.44Å; S127-L131 PolarHBondContact O-N 2.87Å; S127-I294 VanDerWaalsContact CB-O 3.31Å; S127-I294 WeakPolarHBondContact CB-O 3.38Å
128	E	92	Very high	81.6	Confident	9 Å²	9	12.2 Å²	12.2	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-64	-45.3	177.2	-174.3	-169.2	173.2	0	0	109.8	W125 L130 L131 A132 A165 T168 G169 A170 A263	W125-E128 HydrophobicContact CB-CB 4.2Å; W125-E128 WeakPolarHBondContact O-CB 3.18Å; W125-E128 PolarHBondContact O-N 2.71Å; E128-L130 PolarHBondContact O-N 3.06Å; E128-L131 PolarHBondContact O-N 2.76Å; E128-A132 WeakPolarHBondContact O-CB 3.26Å; E128-A132 PolarHBondContact O-N 2.76Å; E128-A165 VanDerWaalsContact OE1-O 3.13Å; E128-T168 PolarHBondContact OE1-OG1 3.01Å; E128-G169 PolarHBondContact OE1-N 3.08Å; E128-A170 HydrophobicContact CG-CB 4.29Å; E128-A170 PolarHBondContact OE1-N 3.2Å; E128-A170 VanDerWaalsContact OE1-N 3.16Å; E128-A263 VanDerWaalsContact CA-CB 3.41Å; E128-A263 HydrophobicContact CB-CB 3.78Å; E128-A263 HydrophobicContact CG-CB 4.45Å
129	I	91.5	Very high	83.2	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-66.3	-39.2	178.7	-62.7	-63	0	0	0	111.8	T42 V45 F46 L66 L124 W125 F126 L131 A132 H133 A170	T42-I129 HydrophobicContact CG2-CG1 4.11Å; T42-I129 HydrophobicContact CG2-CG2 4.09Å; V45-I129 HydrophobicContact CG2-CG2 3.5Å; F46-I129 HydrophobicContact CD2-CG2 3.37Å; F46-I129 HydrophobicContact CE2-CG2 3.61Å; L66-I129 HydrophobicContact CD1-CD1 4.08Å; L124-I129 HydrophobicContact CB-CD1 4.07Å; L124-I129 HydrophobicContact CB-CG1 3.98Å; L124-I129 HydrophobicContact CD1-CD1 4.22Å; L124-I129 HydrophobicContact CD2-CD1 4.27Å; L124-I129 HydrophobicContact CG-CD1 4.41Å; W125-I129 WeakPolarHBondContact O-CG1 3.22Å; W125-I129 PolarHBondContact O-N 2.87Å; F126-I129 PolarHBondContact O-N 2.87Å; I129-L131 VanDerWaalsContact C-N 3.31Å; I129-A132 PolarHBondContact O-N 3.17Å; I129-H133 WeakPolarHBondContact O-CB 3.48Å; I129-H133 PolarHBondContact O-N 3.42Å; I129-A170 HydrophobicContact CD1-CB 4.47Å
130	L	93.4	Very high	85	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-41.7	174.1	-81.6	177.9	0	0	0	111.3	V45 F126 S127 E128 H133 S134 Y141 I294 F333 L337 I355	V45-L130 HydrophobicContact CG1-CD2 4.34Å; F126-L130 HydrophobicContact CD1-CD1 3.79Å; F126-L130 HydrophobicContact CD1-CG 4.07Å; F126-L130 HydrophobicContact CD2-CG 4.43Å; F126-L130 HydrophobicContact CE1-CD1 3.44Å; F126-L130 VanDerWaalsContact CE1-CD1 3.44Å; F126-L130 HydrophobicContact CE1-CD2 4.02Å; F126-L130 HydrophobicContact CE1-CG 3.69Å; F126-L130 HydrophobicContact CE2-CD2 4.12Å; F126-L130 HydrophobicContact CE2-CG 4.03Å; F126-L130 HydrophobicContact CG-CG 4.44Å; F126-L130 HydrophobicContact CZ-CD1 3.92Å; F126-L130 HydrophobicContact CZ-CD2 3.59Å; F126-L130 HydrophobicContact CZ-CG 3.65Å; F126-L130 WeakPolarHBondContact O-CB 3.25Å; F126-L130 WeakPolarHBondContact O-CG 3.08Å; F126-L130 PolarHBondContact O-N 2.89Å; S127-L130 PolarHBondContact O-N 3.07Å; E128-L130 PolarHBondContact O-N 3.06Å; L130-H133 PolarHBondContact O-N 2.6Å; L130-S134 WeakPolarHBondContact O-CB 3.26Å; L130-S134 PolarHBondContact O-N 2.9Å; L130-Y141 HydrophobicContact CB-CE1 4.46Å; L130-Y141 HydrophobicContact CD2-CE1 4.24Å; L130-Y141 WeakPolarHBondContact CD2-OH 3.22Å; L130-Y141 WeakPolarHBondContact O-CE1 3.31Å; L130-Y141 PolarHBondContact O-OH 2.96Å; L130-Y141 VanDerWaalsContact O-OH 3.1Å; L130-I294 HydrophobicContact CB-CD1 4.09Å; L130-F333 HydrophobicContact CD2-CE1 4.1Å; L130-F333 HydrophobicContact CD2-CZ 4.01Å; L130-L337 HydrophobicContact CD2-CD1 4.45Å; L130-I355 HydrophobicContact CD1-CB 4.46Å; L130-I355 HydrophobicContact CD1-CG2 3.61Å
131	L	95	Very high	86.9	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.1	-45.4	178.7	-165.8	59.6	0	0	0	110.8	S127 E128 I129 S134 L144 A171 M261 L292 I294	S127-L131 WeakPolarHBondContact O-CB 3.44Å; S127-L131 PolarHBondContact O-N 2.87Å; E128-L131 PolarHBondContact O-N 2.76Å; I129-L131 VanDerWaalsContact C-N 3.31Å; L131-S134 PolarHBondContact O-N 3.24Å; L131-S134 PolarHBondContact O-OG 3.18Å; L131-L144 HydrophobicContact CD1-CD1 4.25Å; L131-A171 HydrophobicContact CB-CB 4.18Å; L131-A171 HydrophobicContact CD2-CB 3.95Å; L131-A171 HydrophobicContact CG-CB 3.98Å; L131-M261 HydrophobicContact CD1-CE 3.47Å; L131-M261 VanDerWaalsContact CD1-CE 3.47Å; L131-M261 HydrophobicContact CD2-CB 4.06Å; L131-M261 HydrophobicContact CD2-CE 3.53Å; L131-M261 HydrophobicContact CD2-CG 4.42Å; L131-M261 HydrophobicContact CG-CE 3.25Å; L131-L292 HydrophobicContact CD1-CD2 4.34Å; L131-I294 HydrophobicContact CB-CD1 4.12Å; L131-I294 HydrophobicContact CD1-CD1 3.93Å; L131-I294 HydrophobicContact CD1-CG1 4.16Å
132	A	94.8	Very high	88.7	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-48	172.4	0	0	0	0	0	112.3	F46 L88 E128 I129 S134 M135 F136 A170 A174	F46-A132 HydrophobicContact CZ-CB 4.43Å; L88-A132 HydrophobicContact CD1-CB 4.23Å; E128-A132 WeakPolarHBondContact O-CB 3.26Å; E128-A132 PolarHBondContact O-N 2.76Å; I129-A132 PolarHBondContact O-N 3.17Å; A132-S134 VanDerWaalsContact C-N 3.28Å; A132-S134 PolarHBondContact O-N 3.39Å; A132-M135 WeakPolarHBondContact O-CB 3.46Å; A132-M135 PolarHBondContact O-N 3.49Å; A132-F136 WeakPolarHBondContact O-CD2 3.44Å; A132-A170 HydrophobicContact CB-CB 4.03Å; A132-A170 WeakPolarHBondContact CB-O 3.29Å; A132-A174 HydrophobicContact CB-CB 4.01Å; A132-A174 WeakPolarHBondContact O-CB 3.26Å
133	H	94	Very high	90.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.7	-34.8	179.2	-176.2	-102.5	0	0	0	112.7	V45 F46 R69 I129 L130 M135 F136 F137 Y141	V45-H133 PolarHBondContact O-CD2 2.74Å; V45-H133 PolarHBondContact O-NE2 2.65Å; F46-H133 HydrophobicContact CE2-CB 3.68Å; F46-H133 HydrophobicContact CZ-CB 4.15Å; R69-H133 PolarHBondContact O-NE2 3.16Å; I129-H133 WeakPolarHBondContact O-CB 3.48Å; I129-H133 PolarHBondContact O-N 3.42Å; L130-H133 PolarHBondContact O-N 2.6Å; H133-M135 PolarHBondContact O-N 2.9Å; H133-M135 VanDerWaalsContact O-N 3.11Å; H133-F136 PolarHBondContact O-N 2.9Å; H133-F137 AromaticContact CD2-CD2 3.73Å; H133-F137 AromaticContact CD2-CE2 3.8Å; H133-F137 AromaticContact CE1-CD2 3.41Å; H133-F137 VanDerWaalsContact CE1-CD2 3.41Å; H133-F137 WeakPolarHBondContact CE1-CD2 3.31Å; H133-F137 AromaticContact CE1-CE2 3.97Å; H133-F137 AromaticContact NE2-CD2 3.2Å; H133-F137 WeakPolarHBondContact NE2-CD2 2.95Å; H133-F137 AromaticContact NE2-CE2 3.3Å; H133-F137 VanDerWaalsContact NE2-CE2 3.3Å; H133-F137 WeakPolarHBondContact NE2-CE2 3.46Å; H133-F137 PolarHBondContact O-N 2.87Å; H133-Y141 WeakPolarHBondContact CB-OH 3.11Å; H133-Y141 AromaticContact ND1-CE2 3.4Å; H133-Y141 WeakPolarHBondContact ND1-CE2 3.4Å; H133-Y141 AromaticContact ND1-CZ 3.52Å; H133-Y141 PolarHBondContact ND1-OH 2.9Å
134	S	94	Very high	91.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-19.8	176.4	79.5	0	0	0	0	113.5	L130 L131 A132 F136 Y141 W145	L130-S134 WeakPolarHBondContact O-CB 3.26Å; L130-S134 PolarHBondContact O-N 2.9Å; L131-S134 PolarHBondContact O-N 3.24Å; L131-S134 PolarHBondContact O-OG 3.18Å; A132-S134 VanDerWaalsContact C-N 3.28Å; A132-S134 PolarHBondContact O-N 3.39Å; S134-F136 VanDerWaalsContact C-N 3.31Å; S134-Y141 VanDerWaalsContact CA-CE2 3.42Å; S134-W145 PolarHBondContact O-NE1 3.36Å
135	M	93	Very high	92.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13	174.1	-58.2	-62.1	115.1	0	0	113.4	A132 H133 L144 W145 A174 I175 R178 F184 M261	A132-M135 WeakPolarHBondContact O-CB 3.46Å; A132-M135 PolarHBondContact O-N 3.49Å; H133-M135 PolarHBondContact O-N 2.9Å; H133-M135 VanDerWaalsContact O-N 3.11Å; M135-L144 HydrophobicContact CE-CD2 4.48Å; M135-W145 HydrophobicContact CE-CZ2 4.01Å; M135-W145 HydrophobicContact SD-CZ2 4.22Å; M135-A174 HydrophobicContact CB-CB 3.88Å; M135-A174 HydrophobicContact CG-CB 4.12Å; M135-I175 HydrophobicContact CG-CG1 3.8Å; M135-I175 HydrophobicContact SD-CG1 3.7Å; M135-R178 WeakPolarHBondContact O-CD 3.36Å; M135-R178 PolarHBondContact O-NE 2.77Å; M135-R178 PolarHBondContact O-NH1 3Å; M135-F184 HydrophobicContact SD-CZ 4.3Å; M135-M261 HydrophobicContact CE-CE 4.09Å
136	F	91.3	Very high	93.3	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-26.8	175.6	-66.2	-87.1	0	0	0	112.5	F46 P68 L81 P82 T83 L88 A132 H133 S134 A174	F46-F136 HydrophobicContact CE1-CE2 4.4Å; F46-F136 HydrophobicContact CZ-CD2 4.35Å; F46-F136 HydrophobicContact CZ-CE2 4.24Å; P68-F136 HydrophobicContact CB-CB 3.98Å; P68-F136 HydrophobicContact CB-CD1 4.19Å; P68-F136 HydrophobicContact CB-CD2 3.96Å; P68-F136 HydrophobicContact CB-CE2 4.5Å; P68-F136 HydrophobicContact CB-CG 3.78Å; P68-F136 HydrophobicContact CG-CB 4.18Å; P68-F136 HydrophobicContact CG-CD1 3.55Å; P68-F136 HydrophobicContact CG-CD2 4.13Å; P68-F136 HydrophobicContact CG-CE1 3.85Å; P68-F136 HydrophobicContact CG-CE2 4.41Å; P68-F136 HydrophobicContact CG-CG 3.69Å; P68-F136 HydrophobicContact CG-CZ 4.28Å; L81-F136 HydrophobicContact CD2-CB 4.36Å; P82-F136 WeakPolarHBondContact CD-O 3.37Å; P82-F136 WeakPolarHBondContact CG-O 3.42Å; T83-F136 HydrophobicContact CG2-CD1 3.46Å; T83-F136 VanDerWaalsContact CG2-CD1 3.46Å; T83-F136 HydrophobicContact CG2-CE1 3.5Å; T83-F136 VanDerWaalsContact CG2-CE1 3.5Å; T83-F136 HydrophobicContact CG2-CG 4.25Å; T83-F136 HydrophobicContact CG2-CZ 4.28Å; T83-F136 WeakPolarHBondContact OG1-CD1 3.29Å; T83-F136 VanDerWaalsContact OG1-CE1 3.28Å; T83-F136 WeakPolarHBondContact OG1-CE1 3.24Å; L88-F136 HydrophobicContact CD1-CE2 4.26Å; L88-F136 HydrophobicContact CD2-CE2 4.21Å; L88-F136 HydrophobicContact CD2-CZ 3.81Å; L88-F136 HydrophobicContact CG-CE2 4.24Å; L88-F136 HydrophobicContact CG-CZ 4.1Å; A132-F136 WeakPolarHBondContact O-CD2 3.44Å; H133-F136 PolarHBondContact O-N 2.9Å; S134-F136 VanDerWaalsContact C-N 3.31Å; F136-A174 HydrophobicContact CD2-CB 4.48Å; F136-A174 HydrophobicContact CE2-CB 3.71Å; F136-A174 HydrophobicContact CZ-CB 4.34Å
137	F	90.7	Very high	93.8	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.018	10%	0.1	C	C	.	.			trans	-139.7	79.1	-172.2	-55	-68.7	0	0	0	112.9	P68 P70 L79 L81 H133 C139 L140 Y141	P68-F137 HydrophobicContact CB-CE2 3.74Å; P68-F137 HydrophobicContact CB-CZ 4.24Å; P70-F137 HydrophobicContact CB-CD1 4.16Å; P70-F137 HydrophobicContact CB-CE1 3.54Å; P70-F137 HydrophobicContact CB-CE2 4.47Å; P70-F137 HydrophobicContact CB-CZ 3.71Å; P70-F137 HydrophobicContact CG-CE1 4.29Å; P70-F137 HydrophobicContact CG-CZ 4.21Å; L79-F137 HydrophobicContact CD2-CD1 3.77Å; L79-F137 HydrophobicContact CD2-CE1 3.91Å; L81-F137 HydrophobicContact CD2-CD1 4.13Å; L81-F137 HydrophobicContact CD2-CE1 3.31Å; L81-F137 HydrophobicContact CD2-CZ 3.63Å; H133-F137 AromaticContact CD2-CD2 3.73Å; H133-F137 AromaticContact CD2-CE2 3.8Å; H133-F137 AromaticContact CE1-CD2 3.41Å; H133-F137 VanDerWaalsContact CE1-CD2 3.41Å; H133-F137 WeakPolarHBondContact CE1-CD2 3.31Å; H133-F137 AromaticContact CE1-CE2 3.97Å; H133-F137 AromaticContact NE2-CD2 3.2Å; H133-F137 WeakPolarHBondContact NE2-CD2 2.95Å; H133-F137 AromaticContact NE2-CE2 3.3Å; H133-F137 VanDerWaalsContact NE2-CE2 3.3Å; H133-F137 WeakPolarHBondContact NE2-CE2 3.46Å; H133-F137 PolarHBondContact O-N 2.87Å; F137-C139 VanDerWaalsContact C-N 3.27Å; F137-C139 PolarHBondContact O-N 2.87Å; F137-L140 HydrophobicContact CB-CB 4.32Å; F137-L140 HydrophobicContact CB-CD1 3.74Å; F137-L140 HydrophobicContact CB-CG 3.94Å; F137-L140 HydrophobicContact CD2-CD1 4.35Å; F137-L140 HydrophobicContact CG-CD1 4.12Å; F137-L140 PolarHBondContact O-N 2.79Å; F137-L140 VanDerWaalsContact O-N 3.14Å; F137-Y141 VanDerWaalsContact O-CD2 3.27Å; F137-Y141 WeakPolarHBondContact O-CD2 3.24Å
138	D	90	Very high	94	Very high	58 Å²	58	16.9 Å²	16.9	31%	0.31	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-54.2	-39.7	178.4	52.2	10.5	0	0	0	114.4	L140 Y141 W145	D138-L140 PolarHBondContact O-N 3.34Å; D138-L140 VanDerWaalsContact O-N 3.11Å; D138-Y141 CarbonylContact O-C 3.31Å; D138-Y141 PolarHBondContact O-N 2.97Å; D138-W145 VanDerWaalsContact CA-CD1 3.41Å; D138-W145 HydrophobicContact CB-CD2 3.51Å; D138-W145 HydrophobicContact CB-CE3 4.14Å; D138-W145 HydrophobicContact CB-CG 3.62Å; D138-W145 HydrophobicContact CB-CZ2 4.3Å
139	C	90.4	Very high	94.2	Very high	77 Å²	77	20.2 Å²	20.2	52%	0.52	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-60.8	-21.8	-179.9	66.6	0	0	0	0	114.3	F137	F137-C139 VanDerWaalsContact C-N 3.27Å; F137-C139 PolarHBondContact O-N 2.87Å
140	L	92.6	Very high	94.4	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.052	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-86.7	-13.5	176.8	-59.5	-178.7	0	0	0	112.7	V71 F137 D138 P142 S330 F333	V71-L140 HydrophobicContact CB-CD1 4.22Å; V71-L140 HydrophobicContact CB-CD2 4.07Å; V71-L140 HydrophobicContact CG2-CD1 3.68Å; V71-L140 HydrophobicContact CG2-CD2 4.14Å; F137-L140 HydrophobicContact CB-CB 4.32Å; F137-L140 HydrophobicContact CB-CD1 3.74Å; F137-L140 HydrophobicContact CB-CG 3.94Å; F137-L140 HydrophobicContact CD2-CD1 4.35Å; F137-L140 HydrophobicContact CG-CD1 4.12Å; F137-L140 PolarHBondContact O-N 2.79Å; F137-L140 VanDerWaalsContact O-N 3.14Å; D138-L140 PolarHBondContact O-N 3.34Å; D138-L140 VanDerWaalsContact O-N 3.11Å; L140-P142 WeakPolarHBondContact O-CD 3.34Å; L140-S330 PolarHBondContact O-N 2.63Å; L140-F333 HydrophobicContact CB-CB 4.43Å; L140-F333 HydrophobicContact CB-CD1 3.92Å; L140-F333 HydrophobicContact CB-CE1 4.45Å; L140-F333 HydrophobicContact CB-CG 4.28Å; L140-F333 HydrophobicContact CD2-CB 4.32Å
141	Y	95.4	Very high	94.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.			trans	-126.1	51.2	-176.8	-58.7	-105.7	0	0	0	111.5	L130 H133 S134 F137 D138 G143 L144 W145 Y328 L329 F333	L130-Y141 HydrophobicContact CB-CE1 4.46Å; L130-Y141 HydrophobicContact CD2-CE1 4.24Å; L130-Y141 WeakPolarHBondContact CD2-OH 3.22Å; L130-Y141 WeakPolarHBondContact O-CE1 3.31Å; L130-Y141 PolarHBondContact O-OH 2.96Å; L130-Y141 VanDerWaalsContact O-OH 3.1Å; H133-Y141 WeakPolarHBondContact CB-OH 3.11Å; H133-Y141 AromaticContact ND1-CE2 3.4Å; H133-Y141 WeakPolarHBondContact ND1-CE2 3.4Å; H133-Y141 AromaticContact ND1-CZ 3.52Å; H133-Y141 PolarHBondContact ND1-OH 2.9Å; S134-Y141 VanDerWaalsContact CA-CE2 3.42Å; F137-Y141 VanDerWaalsContact O-CD2 3.27Å; F137-Y141 WeakPolarHBondContact O-CD2 3.24Å; D138-Y141 CarbonylContact O-C 3.31Å; D138-Y141 PolarHBondContact O-N 2.97Å; Y141-G143 VanDerWaalsContact C-N 3.33Å; Y141-G143 PolarHBondContact O-N 2.78Å; Y141-L144 HydrophobicContact CD1-CD1 4.4Å; Y141-L144 WeakPolarHBondContact O-CB 3.29Å; Y141-L144 PolarHBondContact O-N 2.89Å; Y141-L144 VanDerWaalsContact O-N 3.1Å; Y141-W145 PolarHBondContact O-N 3.43Å; Y141-Y328 CarbonylContact C-O 3.06Å; Y141-Y328 WeakPolarHBondContact CA-O 2.83Å; Y141-Y328 HydrophobicContact CD1-CD2 4.35Å; Y141-Y328 HydrophobicContact CD1-CE2 4.31Å; Y141-L329 HydrophobicContact CD1-CD2 3.28Å; Y141-L329 HydrophobicContact CE1-CD2 3.45Å; Y141-L329 VanDerWaalsContact CE1-CD2 3.45Å; Y141-L329 HydrophobicContact CG-CD2 4.04Å; Y141-F333 HydrophobicContact CE1-CE1 4.02Å; Y141-F333 HydrophobicContact CE2-CD1 4.42Å; Y141-F333 AromaticContact CE2-CE1 3.82Å; Y141-F333 HydrophobicContact CE2-CE1 3.82Å; Y141-F333 AromaticContact CZ-CE1 3.48Å; Y141-F333 VanDerWaalsContact CZ-CE1 3.48Å; Y141-F333 WeakPolarHBondContact OH-CE1 3.24Å
142	P	95.6	Very high	94.6	Very high	50 Å²	50	28 Å²	28	33%	0.325	15%	0.146	S	C	.	.	H	α-helix	trans	-57.7	-41.5	-168.3	24.2	-35	0	0	0	113.1	L140 W145 N146	L140-P142 WeakPolarHBondContact O-CD 3.34Å; P142-W145 PolarHBondContact O-N 3.26Å; P142-N146 WeakPolarHBondContact O-CB 3.32Å; P142-N146 PolarHBondContact O-N 2.92Å; P142-N146 PolarHBondContact O-ND2 3.48Å; P142-N146 PolarHBondContact O-OD1 3.12Å
143	G	97.1	Very high	94.3	Very high	11 Å²	11	34.5 Å²	34.5	11%	0.113	18%	0.181	C	C	.	.	H	α-helix	trans	-72.3	-32.5	179.7	0	0	0	0	0	113.3	Y141 N146 E147 D327 Y328	Y141-G143 VanDerWaalsContact C-N 3.33Å; Y141-G143 PolarHBondContact O-N 2.78Å; G143-N146 PolarHBondContact O-N 2.79Å; G143-E147 WeakPolarHBondContact O-CG 3.23Å; G143-E147 PolarHBondContact O-N 2.74Å; G143-E147 VanDerWaalsContact O-N 3.13Å; G143-D327 WeakPolarHBondContact CA-O 3.44Å; G143-Y328 PolarHBondContact N-O 3.22Å
144	L	97.6	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-48.6	172.2	-175.3	158.4	0	0	0	110.2	L131 M135 Y141 N146 E147 L148 L292 I294 Y328 L358	L131-L144 HydrophobicContact CD1-CD1 4.25Å; M135-L144 HydrophobicContact CE-CD2 4.48Å; Y141-L144 HydrophobicContact CD1-CD1 4.4Å; Y141-L144 WeakPolarHBondContact O-CB 3.29Å; Y141-L144 PolarHBondContact O-N 2.89Å; Y141-L144 VanDerWaalsContact O-N 3.1Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 3.02Å; L144-E147 PolarHBondContact O-N 3.22Å; L144-L148 HydrophobicContact CD2-CD1 3.73Å; L144-L148 HydrophobicContact CD2-CG 4.27Å; L144-L148 PolarHBondContact O-N 2.87Å; L144-L148 VanDerWaalsContact O-N 3.15Å; L144-L292 HydrophobicContact CD1-CD2 4.21Å; L144-L292 HydrophobicContact CD2-CD2 4.03Å; L144-L292 HydrophobicContact CG-CD2 3.99Å; L144-I294 HydrophobicContact CD1-CD1 4.39Å; L144-Y328 HydrophobicContact CB-CD2 4.43Å; L144-L358 HydrophobicContact CB-CD2 3.94Å; L144-L358 HydrophobicContact CD1-CD1 3.99Å; L144-L358 HydrophobicContact CG-CD1 4.24Å; L144-L358 HydrophobicContact CG-CD2 4.19Å
145	W	96.2	Very high	94.1	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-68.8	-31.3	179.5	-80.1	87	0	0	0	112.9	S134 M135 D138 Y141 P142 E147 L148 Y149 I183 F184	S134-W145 PolarHBondContact O-NE1 3.36Å; M135-W145 HydrophobicContact CE-CZ2 4.01Å; M135-W145 HydrophobicContact SD-CZ2 4.22Å; D138-W145 VanDerWaalsContact CA-CD1 3.41Å; D138-W145 HydrophobicContact CB-CD2 3.51Å; D138-W145 HydrophobicContact CB-CE3 4.14Å; D138-W145 HydrophobicContact CB-CG 3.62Å; D138-W145 HydrophobicContact CB-CZ2 4.3Å; Y141-W145 PolarHBondContact O-N 3.43Å; P142-W145 PolarHBondContact O-N 3.26Å; W145-E147 VanDerWaalsContact C-N 3.34Å; W145-L148 HydrophobicContact CD2-CD1 4.43Å; W145-L148 HydrophobicContact CE3-CD1 4.4Å; W145-L148 HydrophobicContact CH2-CD1 4.42Å; W145-L148 HydrophobicContact CZ2-CD1 4.45Å; W145-L148 HydrophobicContact CZ3-CD1 4.44Å; W145-L148 PolarHBondContact O-N 2.73Å; W145-Y149 HydrophobicContact CB-CD2 4.28Å; W145-Y149 HydrophobicContact CB-CE2 4.17Å; W145-Y149 HydrophobicContact CE3-CD2 4.46Å; W145-Y149 AromaticContact CE3-CE2 3.8Å; W145-Y149 HydrophobicContact CE3-CE2 3.8Å; W145-Y149 AromaticContact CE3-CZ 3.88Å; W145-Y149 WeakPolarHBondContact O-CB 3.22Å; W145-Y149 WeakPolarHBondContact O-CD2 3.39Å; W145-Y149 PolarHBondContact O-N 3.23Å; W145-I183 HydrophobicContact CE3-CD1 4.24Å; W145-I183 HydrophobicContact CZ3-CD1 3.81Å; W145-I183 HydrophobicContact CZ3-CG1 4.45Å; W145-F184 AromaticContact CH2-CD2 3.99Å; W145-F184 HydrophobicContact CH2-CD2 3.99Å; W145-F184 AromaticContact CH2-CE2 3.39Å; W145-F184 HydrophobicContact CH2-CE2 3.39Å; W145-F184 HydrophobicContact CH2-CZ 4.32Å; W145-F184 HydrophobicContact CZ2-CE2 4.42Å; W145-F184 HydrophobicContact CZ3-CD2 4.23Å; W145-F184 AromaticContact CZ3-CE2 3.75Å; W145-F184 HydrophobicContact CZ3-CE2 3.75Å
146	N	96.6	Very high	94.1	Very high	101 Å²	101	43.2 Å²	43.2	54%	0.54	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-40.9	171.8	-73.8	-15.5	0	0	0	112	P142 G143 L144 K150	P142-N146 WeakPolarHBondContact O-CB 3.32Å; P142-N146 PolarHBondContact O-N 2.92Å; P142-N146 PolarHBondContact O-ND2 3.48Å; P142-N146 PolarHBondContact O-OD1 3.12Å; G143-N146 PolarHBondContact O-N 2.79Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 3.02Å; N146-K150 WeakPolarHBondContact O-CB 3.46Å; N146-K150 PolarHBondContact O-N 3.47Å
147	E	97	Very high	94.4	Very high	27 Å²	27	43.2 Å²	43.2	13%	0.126	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-45.6	174.1	-68.7	-63.2	141.1	0	0	110.9	G143 L144 W145 K150 N151 K321 I323	G143-E147 WeakPolarHBondContact O-CG 3.23Å; G143-E147 PolarHBondContact O-N 2.74Å; G143-E147 VanDerWaalsContact O-N 3.13Å; L144-E147 PolarHBondContact O-N 3.22Å; W145-E147 VanDerWaalsContact C-N 3.34Å; E147-K150 PolarHBondContact O-N 3.35Å; E147-N151 VanDerWaalsContact O-CB 3.3Å; E147-N151 WeakPolarHBondContact O-CB 3.46Å; E147-N151 PolarHBondContact O-N 3Å; E147-N151 VanDerWaalsContact O-N 3.1Å; E147-N151 PolarHBondContact O-ND2 3.28Å; E147-N151 VanDerWaalsContact O-ND2 3.16Å; E147-K321 IonicContact OE1-NZ 2.73Å; E147-K321 PolarHBondContact OE1-NZ 2.96Å; E147-K321 IonicContact OE2-NZ 3.93Å; E147-K321 PolarHBondContact OE2-NZ 3.31Å; E147-I323 HydrophobicContact CG-CD1 3.71Å
148	L	96.7	Very high	94.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-50.9	177	-67.1	179.1	0	0	0	112.3	L144 W145 K150 N151 F152 I183 F184 L259 L292	L144-L148 HydrophobicContact CD2-CD1 3.73Å; L144-L148 HydrophobicContact CD2-CG 4.27Å; L144-L148 PolarHBondContact O-N 2.87Å; L144-L148 VanDerWaalsContact O-N 3.15Å; W145-L148 HydrophobicContact CD2-CD1 4.43Å; W145-L148 HydrophobicContact CE3-CD1 4.4Å; W145-L148 HydrophobicContact CH2-CD1 4.42Å; W145-L148 HydrophobicContact CZ2-CD1 4.45Å; W145-L148 HydrophobicContact CZ3-CD1 4.44Å; W145-L148 PolarHBondContact O-N 2.73Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 3.38Å; L148-N151 PolarHBondContact O-N 3.04Å; L148-F152 HydrophobicContact CD2-CD2 4.22Å; L148-F152 HydrophobicContact CD2-CE2 3.93Å; L148-F152 WeakPolarHBondContact O-CB 3.29Å; L148-F152 VanDerWaalsContact O-CD2 3.27Å; L148-F152 WeakPolarHBondContact O-CD2 3.27Å; L148-F152 PolarHBondContact O-N 2.94Å; L148-I183 HydrophobicContact CB-CD1 3.95Å; L148-F184 HydrophobicContact CD1-CE2 4.34Å; L148-F184 HydrophobicContact CD1-CZ 4.26Å; L148-L259 HydrophobicContact CD2-CD1 4.05Å; L148-L259 HydrophobicContact CD2-CD2 4.39Å; L148-L292 HydrophobicContact CD2-CD2 4.35Å
149	Y	95.5	Very high	94.9	Very high	80 Å²	80	46 Å²	46	31%	0.314	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-40.5	179.7	-77.1	-55.2	0	0	0	112.5	W145 N151 D153 I183	W145-Y149 HydrophobicContact CB-CD2 4.28Å; W145-Y149 HydrophobicContact CB-CE2 4.17Å; W145-Y149 HydrophobicContact CE3-CD2 4.46Å; W145-Y149 AromaticContact CE3-CE2 3.8Å; W145-Y149 HydrophobicContact CE3-CE2 3.8Å; W145-Y149 AromaticContact CE3-CZ 3.88Å; W145-Y149 WeakPolarHBondContact O-CB 3.22Å; W145-Y149 WeakPolarHBondContact O-CD2 3.39Å; W145-Y149 PolarHBondContact O-N 3.23Å; Y149-N151 VanDerWaalsContact C-N 3.28Å; Y149-N151 PolarHBondContact O-N 2.84Å; Y149-D153 WeakPolarHBondContact O-CB 3.36Å; Y149-D153 PolarHBondContact O-N 3.04Å; Y149-I183 HydrophobicContact CD1-CD1 3.88Å; Y149-I183 HydrophobicContact CD1-CG1 4.47Å; Y149-I183 HydrophobicContact CD1-CG2 3.73Å; Y149-I183 HydrophobicContact CE1-CD1 3.85Å; Y149-I183 HydrophobicContact CE1-CG1 4.19Å; Y149-I183 HydrophobicContact CE1-CG2 3.99Å
150	K	95.3	Very high	95.3	Very high	145 Å²	145	42.4 Å²	42.4	63%	0.63	22%	0.217	S	C	*	.	H	α-helix	trans	-62.1	-39.1	177.7	-178	-173.6	176.3	-169.6	0	111.8	N146 E147 L148	N146-K150 WeakPolarHBondContact O-CB 3.46Å; N146-K150 PolarHBondContact O-N 3.47Å; E147-K150 PolarHBondContact O-N 3.35Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 3.38Å
151	N	96.2	Very high	95.6	Very high	16 Å²	16	42 Å²	42	9%	0.086	21%	0.214	C	C	.	.	H	α-helix	trans	-87.6	-22.2	-171.8	-64.7	-13.6	0	0	0	113.2	E147 L148 Y149 H155 G288 T290 T362	E147-N151 VanDerWaalsContact O-CB 3.3Å; E147-N151 WeakPolarHBondContact O-CB 3.46Å; E147-N151 PolarHBondContact O-N 3Å; E147-N151 VanDerWaalsContact O-N 3.1Å; E147-N151 PolarHBondContact O-ND2 3.28Å; E147-N151 VanDerWaalsContact O-ND2 3.16Å; L148-N151 PolarHBondContact O-N 3.04Å; Y149-N151 VanDerWaalsContact C-N 3.28Å; Y149-N151 PolarHBondContact O-N 2.84Å; N151-H155 PolarHBondContact O-CE1 3Å; N151-H155 VanDerWaalsContact O-CE1 3.31Å; N151-G288 WeakPolarHBondContact CB-O 3.39Å; N151-G288 VanDerWaalsContact O-CA 3.29Å; N151-G288 WeakPolarHBondContact O-CA 3.05Å; N151-T290 PolarHBondContact ND2-OG1 2.89Å; N151-T362 HydrophobicContact CB-CG2 4.23Å; N151-T362 PolarHBondContact ND2-OG1 3.46Å
152	F	95.9	Very high	95.7	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.215	C	C	.	.	S	Bend	trans	-121	29.7	-175.9	-62	-73.5	0	0	0	112.7	L148 H155 I157 I183 D258 L259	L148-F152 HydrophobicContact CD2-CD2 4.22Å; L148-F152 HydrophobicContact CD2-CE2 3.93Å; L148-F152 WeakPolarHBondContact O-CB 3.29Å; L148-F152 VanDerWaalsContact O-CD2 3.27Å; L148-F152 WeakPolarHBondContact O-CD2 3.27Å; L148-F152 PolarHBondContact O-N 2.94Å; F152-H155 CarbonylContact C-O 3.51Å; F152-H155 WeakPolarHBondContact CB-O 3.42Å; F152-H155 AromaticContact CD1-CD2 3.82Å; F152-H155 AromaticContact CD1-CE1 3.8Å; F152-H155 AromaticContact CD1-NE2 3.32Å; F152-H155 VanDerWaalsContact CD1-NE2 3.32Å; F152-H155 WeakPolarHBondContact CD1-NE2 3.32Å; F152-H155 AromaticContact CE1-NE2 3.52Å; F152-H155 VanDerWaalsContact O-O 3.05Å; F152-I157 HydrophobicContact CB-CD1 4.49Å; F152-I157 HydrophobicContact CB-CG1 4.24Å; F152-I157 HydrophobicContact CD1-CD1 4.35Å; F152-I157 HydrophobicContact CD1-CG1 3.53Å; F152-I157 HydrophobicContact CD2-CD1 3.64Å; F152-I157 HydrophobicContact CD2-CG1 3.75Å; F152-I157 HydrophobicContact CE1-CG1 3.7Å; F152-I157 HydrophobicContact CE2-CD1 3.87Å; F152-I157 HydrophobicContact CE2-CG1 3.91Å; F152-I157 HydrophobicContact CG-CD1 3.92Å; F152-I157 HydrophobicContact CG-CG1 3.56Å; F152-I157 HydrophobicContact CZ-CD1 4.32Å; F152-I157 HydrophobicContact CZ-CG1 3.89Å; F152-I183 HydrophobicContact CB-CB 4.17Å; F152-I183 HydrophobicContact CB-CG2 4.23Å; F152-I183 WeakPolarHBondContact O-CG2 3.29Å; F152-D258 HydrophobicContact CE1-CB 4.04Å; F152-D258 WeakPolarHBondContact CZ-O 3.45Å; F152-L259 HydrophobicContact CZ-CB 4.42Å
153	D	89.5	Confident	95.8	Very high	138 Å²	138	39.7 Å²	39.7	74%	0.738	20%	0.2	S	C	*	.	S	Bend	trans	-71.2	-33.9	179.1	-168	41	0	0	0	112.2	Y149	Y149-D153 WeakPolarHBondContact O-CB 3.36Å; Y149-D153 PolarHBondContact O-N 3.04Å
154	D	90.6	Very high	95.6	Very high	136 Å²	136	40.6 Å²	40.6	73%	0.727	20%	0.204	S	C	*	.	S	Bend	trans	-101.1	-10.6	-175.2	65.6	-15.9	0	0	0	114.3
155	H	92.5	Very high	95.4	Very high	15 Å²	15	40.7 Å²	40.7	7%	0.069	20%	0.204	C	C	.	.	S	Bend	trans	-148.9	144	176.4	65.5	-74.5	0	0	0	112.3	N151 F152 Q286 S287	N151-H155 PolarHBondContact O-CE1 3Å; N151-H155 VanDerWaalsContact O-CE1 3.31Å; F152-H155 CarbonylContact C-O 3.51Å; F152-H155 WeakPolarHBondContact CB-O 3.42Å; F152-H155 AromaticContact CD1-CD2 3.82Å; F152-H155 AromaticContact CD1-CE1 3.8Å; F152-H155 AromaticContact CD1-NE2 3.32Å; F152-H155 VanDerWaalsContact CD1-NE2 3.32Å; F152-H155 WeakPolarHBondContact CD1-NE2 3.32Å; F152-H155 AromaticContact CE1-NE2 3.52Å; F152-H155 VanDerWaalsContact O-O 3.05Å; H155-Q286 PolarHBondContact CD2-NE2 3.35Å; H155-Q286 VanDerWaalsContact CD2-NE2 3.28Å; H155-Q286 PolarHBondContact ND1-NE2 3.14Å; H155-S287 PolarHBondContact CE1-O 3.05Å
156	P	94.2	Very high	95.1	Very high	32 Å²	32	40.7 Å²	40.7	21%	0.208	21%	0.206	C	C	.	.			trans	-77.5	155.7	177.1	34	-35.2	0	0	0	111.9	E158 I183 K185	P156-E158 HydrophobicContact CG-CG 4.05Å; P156-E158 PolarHBondContact O-N 3.49Å; P156-I183 CarbonylContact C-O 3.37Å; P156-I183 WeakPolarHBondContact CA-O 3.42Å; P156-K185 HydrophobicContact CB-CB 3.92Å; P156-K185 HydrophobicContact CB-CD 3.86Å; P156-K185 HydrophobicContact CB-CG 3.8Å; P156-K185 HydrophobicContact CG-CB 4.49Å; P156-K185 HydrophobicContact CG-CD 4.07Å; P156-K185 HydrophobicContact CG-CG 4.49Å
157	I	96	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	109.3	165.8	-57	161.6	0	0	0	107.9	F152 V160 I183 F184 K185 T186 D258 L259	F152-I157 HydrophobicContact CB-CD1 4.49Å; F152-I157 HydrophobicContact CB-CG1 4.24Å; F152-I157 HydrophobicContact CD1-CD1 4.35Å; F152-I157 HydrophobicContact CD1-CG1 3.53Å; F152-I157 HydrophobicContact CD2-CD1 3.64Å; F152-I157 HydrophobicContact CD2-CG1 3.75Å; F152-I157 HydrophobicContact CE1-CG1 3.7Å; F152-I157 HydrophobicContact CE2-CD1 3.87Å; F152-I157 HydrophobicContact CE2-CG1 3.91Å; F152-I157 HydrophobicContact CG-CD1 3.92Å; F152-I157 HydrophobicContact CG-CG1 3.56Å; F152-I157 HydrophobicContact CZ-CD1 4.32Å; F152-I157 HydrophobicContact CZ-CG1 3.89Å; I157-V160 HydrophobicContact CG2-CG2 3.49Å; I157-V160 VanDerWaalsContact CG2-CG2 3.49Å; I157-I183 WeakPolarHBondContact CB-O 3.28Å; I157-I183 HydrophobicContact CD1-CD1 4.45Å; I157-I183 HydrophobicContact CD1-CG1 4.5Å; I157-I183 PolarHBondContact N-O 3.45Å; I157-F184 HydrophobicContact CB-CD1 4.2Å; I157-F184 HydrophobicContact CB-CE1 4.39Å; I157-F184 HydrophobicContact CD1-CD1 4.05Å; I157-F184 HydrophobicContact CD1-CD2 4.32Å; I157-F184 HydrophobicContact CD1-CE1 3.66Å; I157-F184 HydrophobicContact CD1-CE2 3.91Å; I157-F184 HydrophobicContact CD1-CG 4.37Å; I157-F184 HydrophobicContact CD1-CZ 3.58Å; I157-F184 HydrophobicContact CG2-CD1 4.18Å; I157-F184 HydrophobicContact CG2-CE1 4.12Å; I157-K185 CarbonylContact O-C 3.55Å; I157-K185 VanDerWaalsContact O-C 3.31Å; I157-K185 PolarHBondContact O-N 3.4Å; I157-T186 PolarHBondContact O-N 3.37Å; I157-D258 HydrophobicContact CG2-CB 4.37Å; I157-L259 HydrophobicContact CD1-CD2 4.2Å; I157-L259 HydrophobicContact CG2-CB 3.8Å; I157-L259 HydrophobicContact CG2-CD2 4.38Å
158	E	95	Very high	94.4	Very high	92 Å²	92	34.8 Å²	34.8	43%	0.43	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-38.1	180	-62.6	-169.7	99	0	0	111.8	P156 T186 S187 Y188 D258	P156-E158 HydrophobicContact CG-CG 4.05Å; P156-E158 PolarHBondContact O-N 3.49Å; E158-T186 WeakPolarHBondContact O-CA 3.3Å; E158-S187 PolarHBondContact O-N 3.19Å; E158-S187 PolarHBondContact O-OG 3.46Å; E158-Y188 PolarHBondContact O-N 3.2Å; E158-Y188 VanDerWaalsContact O-N 3.13Å; E158-D258 PolarHBondContact N-OD2 3.3Å
159	N	97.2	Very high	94.3	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.5	-177.9	-61.1	-80.8	0	0	0	110.9	Y188 R256 F257 D258 L259	N159-Y188 WeakPolarHBondContact OD1-CB 3.33Å; N159-R256 HydrophobicContact CB-CG 4.32Å; N159-R256 WeakPolarHBondContact CB-O 3.49Å; N159-R256 PolarHBondContact ND2-O 2.95Å; N159-F257 HydrophobicContact CB-CD1 3.98Å; N159-D258 PolarHBondContact N-OD2 2.93Å; N159-D258 PolarHBondContact O-N 2.88Å; N159-L259 PolarHBondContact O-N 3.1Å
160	V	98.2	Very high	94.2	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.8	-179.7	-175.9	0	0	0	0	111.1	I157 I175 T186 Y188 V189 L190 F257 L259	I157-V160 HydrophobicContact CG2-CG2 3.49Å; I157-V160 VanDerWaalsContact CG2-CG2 3.49Å; V160-I175 HydrophobicContact CB-CG2 4.45Å; V160-I175 HydrophobicContact CG1-CD1 3.7Å; V160-I175 HydrophobicContact CG1-CG2 4.37Å; V160-I175 HydrophobicContact CG2-CG2 4.08Å; V160-T186 HydrophobicContact CG2-CG2 3.91Å; V160-Y188 PolarHBondContact N-O 2.93Å; V160-V189 HydrophobicContact CB-CG2 4.31Å; V160-V189 CarbonylContact O-C 3.38Å; V160-V189 WeakPolarHBondContact O-CA 3.25Å; V160-L190 PolarHBondContact O-N 3.4Å; V160-F257 WeakPolarHBondContact O-CD1 3.33Å; V160-F257 WeakPolarHBondContact O-CE1 3.43Å; V160-L259 CarbonylContact C-O 3.58Å; V160-L259 VanDerWaalsContact CA-O 3.29Å; V160-L259 WeakPolarHBondContact CA-O 3.4Å; V160-L259 HydrophobicContact CG1-CG 4.49Å; V160-L259 HydrophobicContact CG2-CB 4.3Å
161	C	98.5	Very high	94.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.4	172.3	-179.1	0	0	0	0	110.7	L190 F257 L259 I260 M261	C161-L190 CarbonylContact C-O 3.48Å; C161-L190 VanDerWaalsContact CA-O 3.24Å; C161-L190 WeakPolarHBondContact CA-O 3.45Å; C161-F257 HydrophobicContact CB-CB 4.21Å; C161-F257 HydrophobicContact CB-CD1 3.53Å; C161-F257 HydrophobicContact CB-CD2 3.82Å; C161-F257 HydrophobicContact CB-CE1 3.73Å; C161-F257 HydrophobicContact CB-CE2 4.02Å; C161-F257 HydrophobicContact CB-CG 3.56Å; C161-F257 HydrophobicContact CB-CZ 3.97Å; C161-L259 PolarHBondContact N-O 3.28Å; C161-I260 HydrophobicContact CB-CG1 4.22Å; C161-I260 HydrophobicContact CB-CG2 4.45Å; C161-I260 CarbonylContact O-C 3.48Å; C161-I260 VanDerWaalsContact O-CA 3.29Å; C161-I260 WeakPolarHBondContact O-CA 3.34Å; C161-M261 PolarHBondContact O-N 3.16Å
162	E	98.3	Very high	94.2	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.3	165.7	-172.6	176.2	-163.4	0	0	109.8	A165 G169 A171 G172 L190 I191 T192 M261	E162-A165 HydrophobicContact CG-CB 3.95Å; E162-G169 VanDerWaalsContact OE2-C 3.3Å; E162-G169 VanDerWaalsContact OE2-CA 3.24Å; E162-G169 WeakPolarHBondContact OE2-CA 3.3Å; E162-A171 WeakPolarHBondContact OE1-CB 3.25Å; E162-A171 PolarHBondContact OE1-N 3.09Å; E162-G172 VanDerWaalsContact OE2-CA 3.28Å; E162-G172 WeakPolarHBondContact OE2-CA 3.49Å; E162-G172 PolarHBondContact OE2-N 2.97Å; E162-L190 PolarHBondContact N-O 3.34Å; E162-I191 HydrophobicContact CB-CG2 4.32Å; E162-T192 PolarHBondContact O-N 3.33Å; E162-T192 PolarHBondContact O-OG1 3.22Å; E162-M261 CarbonylContact C-O 3.55Å; E162-M261 WeakPolarHBondContact CA-O 3.43Å
163	L	97.1	Very high	94.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.3	174.5	-67.7	-179.9	0	0	0	110.7	A165 T192 I260 M261 A262 I279 L282 F291	L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 2.76Å; L163-T192 WeakPolarHBondContact CA-OG1 3.42Å; L163-T192 WeakPolarHBondContact CD2-OG1 3.4Å; L163-I260 HydrophobicContact CD1-CG2 3.67Å; L163-I260 HydrophobicContact CG-CG2 3.76Å; L163-M261 PolarHBondContact N-O 3.48Å; L163-A262 HydrophobicContact CB-CB 4.27Å; L163-I279 HydrophobicContact CD1-CG1 3.93Å; L163-L282 HydrophobicContact CD2-CD1 3.84Å; L163-F291 HydrophobicContact CD1-CE2 4.48Å
164	C	93.8	Very high	94.3	Very high	30 Å²	30	16.7 Å²	16.7	20%	0.203	9%	0.091	C	C	.	.	S	Bend	trans	51.2	49.2	179	-69.2	0	0	0	0	112.3	G166 T192 W234 C265	C164-G166 PolarHBondContact O-N 3.42Å; C164-T192 PolarHBondContact N-O 3.45Å; C164-T192 VanDerWaalsContact N-O 3.09Å; C164-W234 HydrophobicContact CB-CH2 4.49Å; C164-W234 WeakPolarHBondContact SG-CH2 3.32Å; C164-W234 WeakPolarHBondContact SG-CZ2 3.42Å; C164-C265 HydrophobicContact CB-CB 3.73Å
165	A	93.8	Very high	94.4	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.008	6%	0.057	C	C	.	.			trans	-60.8	-7.7	-178.1	0	0	0	0	0	114.2	E128 E162 L163 G169 I191 T192 D193 I202	E128-A165 VanDerWaalsContact OE1-O 3.13Å; E162-A165 HydrophobicContact CG-CB 3.95Å; L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 2.76Å; A165-G169 PolarHBondContact O-N 2.95Å; A165-G169 VanDerWaalsContact O-N 3.13Å; A165-I191 HydrophobicContact CB-CG2 3.34Å; A165-T192 WeakPolarHBondContact CB-O 3.41Å; A165-T192 PolarHBondContact N-O 3.28Å; A165-D193 PolarHBondContact N-OD2 3.04Å; A165-I202 HydrophobicContact CB-CD1 3.81Å
166	G	89.2	Confident	94.2	Very high	6 Å²	6	9.8 Å²	9.8	6%	0.062	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-149.5	-168.4	0	0	0	0	0	109.2	C164 D193 C198 I202	C164-G166 PolarHBondContact O-N 3.42Å; G166-D193 WeakPolarHBondContact CA-OD2 3.26Å; G166-D193 PolarHBondContact N-OD2 3.44Å; G166-C198 VanDerWaalsContact O-CB 3.23Å; G166-C198 WeakPolarHBondContact O-CB 3.5Å; G166-I202 WeakPolarHBondContact O-CD1 3.32Å
167	M	87.7	Confident	93.9	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.9	-176.5	76.3	-179.5	-49.9	0	0	115.1	I92 Y93 G120 S201 I205	I92-M167 VanDerWaalsContact CA-CE 3.42Å; I92-M167 WeakPolarHBondContact CA-SD 3.17Å; I92-M167 HydrophobicContact CB-CE 4.48Å; I92-M167 HydrophobicContact CB-SD 3.89Å; I92-M167 HydrophobicContact CG2-CG 4.47Å; I92-M167 HydrophobicContact CG2-SD 4.04Å; Y93-M167 HydrophobicContact CD2-CE 3.16Å; Y93-M167 HydrophobicContact CD2-SD 4.13Å; Y93-M167 HydrophobicContact CE2-CE 3.52Å; Y93-M167 HydrophobicContact CG-CE 3.95Å; Y93-M167 VanDerWaalsContact N-CE 3.3Å; G120-M167 WeakPolarHBondContact O-CG 3.36Å; G120-M167 PolarHBondContact O-N 3.4Å; M167-S201 WeakPolarHBondContact O-CB 3.4Å; M167-S201 PolarHBondContact O-OG 3.18Å; M167-I205 WeakPolarHBondContact O-CD1 3.35Å
168	T	91.3	Very high	93.4	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.012	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-36.7	-171.5	82.1	0	0	0	0	114.1	V90 I92 L124 E128 A170	V90-T168 HydrophobicContact CB-CG2 4.27Å; I92-T168 HydrophobicContact CG2-CG2 3.87Å; L124-T168 HydrophobicContact CD2-CG2 3.63Å; E128-T168 PolarHBondContact OE1-OG1 3.01Å; T168-A170 PolarHBondContact O-N 3.28Å; T168-A170 WeakPolarHBondContact OG1-CB 3.31Å; T168-A170 PolarHBondContact OG1-N 2.92Å
169	G	93.9	Very high	92.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.			trans	56.7	38.8	-172.8	0	0	0	0	0	112.1	E128 E162 A165 A171 G172 L173	E128-G169 PolarHBondContact OE1-N 3.08Å; E162-G169 VanDerWaalsContact OE2-C 3.3Å; E162-G169 VanDerWaalsContact OE2-CA 3.24Å; E162-G169 WeakPolarHBondContact OE2-CA 3.3Å; A165-G169 PolarHBondContact O-N 2.95Å; A165-G169 VanDerWaalsContact O-N 3.13Å; G169-A171 PolarHBondContact O-N 2.78Å; G169-G172 PolarHBondContact O-N 3.03Å; G169-L173 VanDerWaalsContact O-CB 3.28Å; G169-L173 WeakPolarHBondContact O-CB 3.47Å; G169-L173 PolarHBondContact O-N 3.29Å
170	A	94.2	Very high	91.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.5	-32.7	-170.8	0	0	0	0	0	111.8	L88 E128 I129 A132 T168 A174	L88-A170 HydrophobicContact CD1-CB 4.34Å; E128-A170 HydrophobicContact CG-CB 4.29Å; E128-A170 PolarHBondContact OE1-N 3.2Å; E128-A170 VanDerWaalsContact OE1-N 3.16Å; I129-A170 HydrophobicContact CD1-CB 4.47Å; A132-A170 HydrophobicContact CB-CB 4.03Å; A132-A170 WeakPolarHBondContact CB-O 3.29Å; T168-A170 PolarHBondContact O-N 3.28Å; T168-A170 WeakPolarHBondContact OG1-CB 3.31Å; T168-A170 PolarHBondContact OG1-N 2.92Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 2.83Å
171	A	95.1	Very high	90.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-74	-45.9	179.9	0	0	0	0	0	111.6	L131 E162 G169 L173 A174 I175 M261	L131-A171 HydrophobicContact CB-CB 4.18Å; L131-A171 HydrophobicContact CD2-CB 3.95Å; L131-A171 HydrophobicContact CG-CB 3.98Å; E162-A171 WeakPolarHBondContact OE1-CB 3.25Å; E162-A171 PolarHBondContact OE1-N 3.09Å; G169-A171 PolarHBondContact O-N 2.78Å; A171-L173 VanDerWaalsContact C-N 3.32Å; A171-L173 PolarHBondContact O-N 2.8Å; A171-A174 PolarHBondContact O-N 2.89Å; A171-A174 VanDerWaalsContact O-N 3.14Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 3.46Å; A171-M261 HydrophobicContact CB-CE 4.26Å
172	G	95.7	Very high	89.6	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-40.6	174.7	0	0	0	0	0	112	E162 G169 I175 S176	E162-G172 VanDerWaalsContact OE2-CA 3.28Å; E162-G172 WeakPolarHBondContact OE2-CA 3.49Å; E162-G172 PolarHBondContact OE2-N 2.97Å; G169-G172 PolarHBondContact O-N 3.03Å; G172-I175 PolarHBondContact O-N 2.77Å; G172-S176 PolarHBondContact O-N 2.86Å
173	L	94.3	Very high	89.4	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-66.6	-36	173.1	-173.3	69.4	0	0	0	112.3	L88 V90 G169 A171 I175 S176 L177 I205 N209	L88-L173 HydrophobicContact CB-CD2 4.11Å; L88-L173 HydrophobicContact CD2-CB 4.49Å; L88-L173 HydrophobicContact CD2-CD2 4.03Å; L88-L173 HydrophobicContact CD2-CG 3.98Å; V90-L173 HydrophobicContact CG1-CD2 4.46Å; G169-L173 VanDerWaalsContact O-CB 3.28Å; G169-L173 WeakPolarHBondContact O-CB 3.47Å; G169-L173 PolarHBondContact O-N 3.29Å; A171-L173 VanDerWaalsContact C-N 3.32Å; A171-L173 PolarHBondContact O-N 2.8Å; L173-I175 VanDerWaalsContact C-N 3.34Å; L173-S176 PolarHBondContact O-N 3.09Å; L173-S176 PolarHBondContact O-OG 3.1Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.14Å; L173-L177 PolarHBondContact O-N 2.96Å; L173-I205 HydrophobicContact CD2-CG2 3.99Å; L173-N209 HydrophobicContact CD1-CB 3.91Å
174	A	93.9	Very high	89.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-37.2	176.4	0	0	0	0	0	112.3	L88 A132 M135 F136 A170 A171 L177	L88-A174 HydrophobicContact CD1-CB 4.32Å; L88-A174 HydrophobicContact CD2-CB 4.29Å; A132-A174 HydrophobicContact CB-CB 4.01Å; A132-A174 WeakPolarHBondContact O-CB 3.26Å; M135-A174 HydrophobicContact CB-CB 3.88Å; M135-A174 HydrophobicContact CG-CB 4.12Å; F136-A174 HydrophobicContact CD2-CB 4.48Å; F136-A174 HydrophobicContact CE2-CB 3.71Å; F136-A174 HydrophobicContact CZ-CB 4.34Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 2.83Å; A171-A174 PolarHBondContact O-N 2.89Å; A171-A174 VanDerWaalsContact O-N 3.14Å; A174-L177 PolarHBondContact O-N 3.45Å
175	I	92.2	Very high	89	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-66.8	-40.9	175.1	-66.3	162.2	0	0	0	111	M135 V160 A171 G172 L173 L177 R178 F184 T186 V189 M261	M135-I175 HydrophobicContact CG-CG1 3.8Å; M135-I175 HydrophobicContact SD-CG1 3.7Å; V160-I175 HydrophobicContact CB-CG2 4.45Å; V160-I175 HydrophobicContact CG1-CD1 3.7Å; V160-I175 HydrophobicContact CG1-CG2 4.37Å; V160-I175 HydrophobicContact CG2-CG2 4.08Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 3.46Å; G172-I175 PolarHBondContact O-N 2.77Å; L173-I175 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.33Å; I175-L177 VanDerWaalsContact O-N 3.08Å; I175-R178 VanDerWaalsContact O-CB 3.31Å; I175-R178 WeakPolarHBondContact O-CB 3.29Å; I175-R178 PolarHBondContact O-N 3.4Å; I175-F184 HydrophobicContact CG2-CD1 4.32Å; I175-F184 HydrophobicContact CG2-CE1 4.18Å; I175-T186 HydrophobicContact CG2-CG2 4.37Å; I175-V189 HydrophobicContact CG2-CG2 4.39Å; I175-M261 HydrophobicContact CD1-CE 3.71Å; I175-M261 HydrophobicContact CD1-SD 3.17Å; I175-M261 WeakPolarHBondContact CD1-SD 3.27Å; I175-M261 HydrophobicContact CG1-SD 4.32Å
176	S	89.2	Confident	88.9	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-23.1	178.6	78.7	0	0	0	0	112.8	G172 L173 F223 L225 M227	G172-S176 PolarHBondContact O-N 2.86Å; L173-S176 PolarHBondContact O-N 3.09Å; L173-S176 PolarHBondContact O-OG 3.1Å; S176-F223 WeakPolarHBondContact O-CE1 3.28Å; S176-F223 WeakPolarHBondContact O-CZ 3.17Å; S176-L225 WeakPolarHBondContact O-CD2 3.38Å; S176-M227 VanDerWaalsContact CB-SD 3.53Å
177	L	87.4	Confident	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.8	178.6	-61.3	174.9	0	0	0	113.6	T83 I84 V85 L88 L173 A174 I175 K179 L213	T83-L177 CarbonylContact C-O 3.47Å; T83-L177 WeakPolarHBondContact CA-O 3.45Å; T83-L177 VanDerWaalsContact CB-O 3.26Å; T83-L177 WeakPolarHBondContact CB-O 3.42Å; T83-L177 HydrophobicContact CG2-CB 4.47Å; I84-L177 PolarHBondContact N-O 3.01Å; V85-L177 HydrophobicContact CG2-CD1 3.49Å; V85-L177 VanDerWaalsContact CG2-CD1 3.49Å; V85-L177 HydrophobicContact CG2-CD2 3.63Å; V85-L177 HydrophobicContact CG2-CG 4.04Å; L88-L177 HydrophobicContact CD2-CD1 3.46Å; L88-L177 VanDerWaalsContact CD2-CD1 3.46Å; L173-L177 VanDerWaalsContact O-CG 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.14Å; L173-L177 PolarHBondContact O-N 2.96Å; A174-L177 PolarHBondContact O-N 3.45Å; I175-L177 PolarHBondContact O-N 3.33Å; I175-L177 VanDerWaalsContact O-N 3.08Å; L177-K179 PolarHBondContact O-N 3.49Å; L177-L213 HydrophobicContact CD2-CD1 3.62Å; L177-L213 HydrophobicContact CD2-CD2 3.71Å; L177-L213 HydrophobicContact CD2-CG 4.19Å
178	R	85.9	Confident	89.4	Confident	12 Å²	12	28.2 Å²	28.2	5%	0.045	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-68	130.1	-177.4	-155.6	68	175.4	-99.8	7.5	110.3	P82 M135 I175	P82-R178 WeakPolarHBondContact O-CD 3.4Å; M135-R178 WeakPolarHBondContact O-CD 3.36Å; M135-R178 PolarHBondContact O-NE 2.77Å; M135-R178 PolarHBondContact O-NH1 3Å; I175-R178 VanDerWaalsContact O-CB 3.31Å; I175-R178 WeakPolarHBondContact O-CB 3.29Å; I175-R178 PolarHBondContact O-N 3.4Å
179	K	75.3	Confident	89.7	Confident	73 Å²	73	28.1 Å²	28.1	32%	0.317	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-64	158.2	167.9	-70.1	173	176.4	163.1	0	108.8	E80 L81 P82 T83 I84 L177 S181	E80-K179 IonicContact OE1-NZ 3.99Å; E80-K179 PolarHBondContact OE1-NZ 2.96Å; L81-K179 PolarHBondContact O-NZ 3.3Å; P82-K179 WeakPolarHBondContact O-CB 3.34Å; P82-K179 PolarHBondContact O-N 2.8Å; T83-K179 VanDerWaalsContact O-CE 3.25Å; T83-K179 WeakPolarHBondContact O-CE 3.16Å; I84-K179 HydrophobicContact CG1-CG 4.06Å; L177-K179 PolarHBondContact O-N 3.49Å; K179-S181 PolarHBondContact O-N 3.18Å
180	Y	70.6	Confident	89.9	Confident	169 Å²	169	28.1 Å²	28.1	66%	0.663	14%	0.136	S	C	*	.	P	Polyproline II helix	trans	-51.6	119.9	172.9	-64.3	-68.8	0	0	0	110.3
181	S	80	Confident	90.1	Very high	32 Å²	32	28.2 Å²	28.2	22%	0.224	14%	0.136	C	C	.	.			trans	-113	175.6	166	65.2	0	0	0	0	108.5	K179 I183 F184	K179-S181 PolarHBondContact O-N 3.18Å; S181-I183 PolarHBondContact O-N 3.05Å; S181-F184 PolarHBondContact N-O 3.23Å; S181-F184 VanDerWaalsContact N-O 3.17Å; S181-F184 WeakPolarHBondContact OG-CB 3.31Å; S181-F184 PolarHBondContact OG-N 3.36Å
182	N	83.4	Confident	90.1	Very high	109 Å²	109	28.2 Å²	28.2	58%	0.583	14%	0.137	S	C	*	.	S	Bend	trans	-59.4	-35.4	174.2	56.9	-34.7	0	0	0	112.2
183	I	92.5	Very high	90.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	-99.8	-30	-179	68.9	173.2	0	0	0	113.6	W145 L148 Y149 F152 P156 I157 S181	W145-I183 HydrophobicContact CE3-CD1 4.24Å; W145-I183 HydrophobicContact CZ3-CD1 3.81Å; W145-I183 HydrophobicContact CZ3-CG1 4.45Å; L148-I183 HydrophobicContact CB-CD1 3.95Å; Y149-I183 HydrophobicContact CD1-CD1 3.88Å; Y149-I183 HydrophobicContact CD1-CG1 4.47Å; Y149-I183 HydrophobicContact CD1-CG2 3.73Å; Y149-I183 HydrophobicContact CE1-CD1 3.85Å; Y149-I183 HydrophobicContact CE1-CG1 4.19Å; Y149-I183 HydrophobicContact CE1-CG2 3.99Å; F152-I183 HydrophobicContact CB-CB 4.17Å; F152-I183 HydrophobicContact CB-CG2 4.23Å; F152-I183 WeakPolarHBondContact O-CG2 3.29Å; P156-I183 CarbonylContact C-O 3.37Å; P156-I183 WeakPolarHBondContact CA-O 3.42Å; I157-I183 WeakPolarHBondContact CB-O 3.28Å; I157-I183 HydrophobicContact CD1-CD1 4.45Å; I157-I183 HydrophobicContact CD1-CG1 4.5Å; I157-I183 PolarHBondContact N-O 3.45Å; S181-I183 PolarHBondContact O-N 3.05Å
184	F	91.6	Very high	89.9	Confident	3 Å²	3	28.8 Å²	28.8	1%	0.013	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	107.4	176.3	-72.7	-88.3	0	0	0	110.8	M135 W145 L148 I157 I175 S181 L259	M135-F184 HydrophobicContact SD-CZ 4.3Å; W145-F184 AromaticContact CH2-CD2 3.99Å; W145-F184 HydrophobicContact CH2-CD2 3.99Å; W145-F184 AromaticContact CH2-CE2 3.39Å; W145-F184 HydrophobicContact CH2-CE2 3.39Å; W145-F184 HydrophobicContact CH2-CZ 4.32Å; W145-F184 HydrophobicContact CZ2-CE2 4.42Å; W145-F184 HydrophobicContact CZ3-CD2 4.23Å; W145-F184 AromaticContact CZ3-CE2 3.75Å; W145-F184 HydrophobicContact CZ3-CE2 3.75Å; L148-F184 HydrophobicContact CD1-CE2 4.34Å; L148-F184 HydrophobicContact CD1-CZ 4.26Å; I157-F184 HydrophobicContact CB-CD1 4.2Å; I157-F184 HydrophobicContact CB-CE1 4.39Å; I157-F184 HydrophobicContact CD1-CD1 4.05Å; I157-F184 HydrophobicContact CD1-CD2 4.32Å; I157-F184 HydrophobicContact CD1-CE1 3.66Å; I157-F184 HydrophobicContact CD1-CE2 3.91Å; I157-F184 HydrophobicContact CD1-CG 4.37Å; I157-F184 HydrophobicContact CD1-CZ 3.58Å; I157-F184 HydrophobicContact CG2-CD1 4.18Å; I157-F184 HydrophobicContact CG2-CE1 4.12Å; I175-F184 HydrophobicContact CG2-CD1 4.32Å; I175-F184 HydrophobicContact CG2-CE1 4.18Å; S181-F184 PolarHBondContact N-O 3.23Å; S181-F184 VanDerWaalsContact N-O 3.17Å; S181-F184 WeakPolarHBondContact OG-CB 3.31Å; S181-F184 PolarHBondContact OG-N 3.36Å; F184-L259 HydrophobicContact CE1-CD2 4Å; F184-L259 HydrophobicContact CZ-CD2 4.08Å
185	K	91.5	Very high	89.5	Confident	111 Å²	111	29.3 Å²	29.3	48%	0.483	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	43	165.6	-61.2	-172.4	-176.4	173.8	0	110.1	P156 I157 S187	P156-K185 HydrophobicContact CB-CB 3.92Å; P156-K185 HydrophobicContact CB-CD 3.86Å; P156-K185 HydrophobicContact CB-CG 3.8Å; P156-K185 HydrophobicContact CG-CB 4.49Å; P156-K185 HydrophobicContact CG-CD 4.07Å; P156-K185 HydrophobicContact CG-CG 4.49Å; I157-K185 CarbonylContact O-C 3.55Å; I157-K185 VanDerWaalsContact O-C 3.31Å; I157-K185 PolarHBondContact O-N 3.4Å; K185-S187 PolarHBondContact O-N 2.86Å
186	T	92.3	Very high	89.3	Confident	17 Å²	17	33.4 Å²	33.4	10%	0.104	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	125.6	-170.2	-50.2	0	0	0	0	111.2	I157 E158 V160 I175 V189 L225	I157-T186 PolarHBondContact O-N 3.37Å; E158-T186 WeakPolarHBondContact O-CA 3.3Å; V160-T186 HydrophobicContact CG2-CG2 3.91Å; I175-T186 HydrophobicContact CG2-CG2 4.37Å; T186-V189 HydrophobicContact CG2-CG2 3.67Å; T186-L225 HydrophobicContact CG2-CD1 3.82Å
187	S	92.2	Very high	89.1	Confident	50 Å²	50	36.5 Å²	36.5	35%	0.35	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-16.3	176.3	60.4	0	0	0	0	112	E158 K185 H226	E158-S187 PolarHBondContact O-N 3.19Å; E158-S187 PolarHBondContact O-OG 3.46Å; K185-S187 PolarHBondContact O-N 2.86Å; S187-H226 PolarHBondContact O-N 3.5Å
188	Y	95.4	Very high	89.1	Confident	6 Å²	6	36.6 Å²	36.6	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.4	176.3	-176.8	-130.6	0	0	0	112.5	E158 N159 V160 L190 H226 D228 R256 F257	E158-Y188 PolarHBondContact O-N 3.2Å; E158-Y188 VanDerWaalsContact O-N 3.13Å; N159-Y188 WeakPolarHBondContact OD1-CB 3.33Å; V160-Y188 PolarHBondContact N-O 2.93Å; Y188-L190 HydrophobicContact CE1-CB 4.09Å; Y188-H226 WeakPolarHBondContact CA-O 3.38Å; Y188-H226 HydrophobicContact CD2-CB 4.06Å; Y188-H226 AromaticContact CD2-CD2 3.44Å; Y188-H226 VanDerWaalsContact CD2-CD2 3.44Å; Y188-H226 WeakPolarHBondContact CD2-CD2 3.44Å; Y188-H226 WeakPolarHBondContact CD2-O 3.36Å; Y188-H226 AromaticContact CE2-CD2 3.33Å; Y188-H226 WeakPolarHBondContact CE2-CD2 3.35Å; Y188-H226 AromaticContact CE2-NE2 3.95Å; Y188-D228 HydrophobicContact CE2-CB 3.95Å; Y188-D228 VanDerWaalsContact CE2-OD2 3.23Å; Y188-D228 WeakPolarHBondContact CE2-OD2 3.46Å; Y188-D228 PolarHBondContact OH-OD2 3.5Å; Y188-R256 VanDerWaalsContact CD1-NE 3.31Å; Y188-F257 AromaticContact CD1-CE1 3.73Å; Y188-F257 HydrophobicContact CD1-CE1 3.73Å; Y188-F257 HydrophobicContact CD1-CZ 4.34Å; Y188-F257 AromaticContact CE1-CE1 3.54Å; Y188-F257 HydrophobicContact CE1-CE1 3.54Å; Y188-F257 AromaticContact CE1-CZ 3.72Å; Y188-F257 HydrophobicContact CE1-CZ 3.72Å
189	V	97.1	Very high	89.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.2	169	178.5	0	0	0	0	109	V160 I175 T186 I191 L225 H226 M227 D228	V160-V189 HydrophobicContact CB-CG2 4.31Å; V160-V189 CarbonylContact O-C 3.38Å; V160-V189 WeakPolarHBondContact O-CA 3.25Å; I175-V189 HydrophobicContact CG2-CG2 4.39Å; T186-V189 HydrophobicContact CG2-CG2 3.67Å; V189-I191 HydrophobicContact CG1-CD1 4.48Å; V189-I191 HydrophobicContact CG1-CG1 3.92Å; V189-L225 HydrophobicContact CG2-CD1 4.03Å; V189-L225 HydrophobicContact CG2-CD2 4.35Å; V189-H226 PolarHBondContact N-O 3.39Å; V189-M227 HydrophobicContact CB-CG 4.28Å; V189-M227 VanDerWaalsContact O-CA 3.3Å; V189-M227 WeakPolarHBondContact O-CA 3.35Å; V189-D228 PolarHBondContact O-N 3.31Å
190	L	98	Very high	90.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.8	169	178.4	66.1	0	0	0	109.1	V160 C161 E162 Y188 T192 D228 K230 L253 F257	V160-L190 PolarHBondContact O-N 3.4Å; C161-L190 CarbonylContact C-O 3.48Å; C161-L190 VanDerWaalsContact CA-O 3.24Å; C161-L190 WeakPolarHBondContact CA-O 3.45Å; E162-L190 PolarHBondContact N-O 3.34Å; Y188-L190 HydrophobicContact CE1-CB 4.09Å; L190-T192 HydrophobicContact CD1-CG2 4.13Å; L190-T192 HydrophobicContact CD2-CG2 3.66Å; L190-T192 HydrophobicContact CG-CG2 3.52Å; L190-D228 HydrophobicContact CD1-CB 3.64Å; L190-K230 HydrophobicContact CD1-CB 4.02Å; L190-K230 HydrophobicContact CD1-CD 4.07Å; L190-K230 HydrophobicContact CD1-CG 3.83Å; L190-L253 HydrophobicContact CD2-CD1 4.06Å; L190-L253 HydrophobicContact CD2-CD2 3.95Å; L190-F257 HydrophobicContact CB-CE1 3.7Å; L190-F257 HydrophobicContact CB-CZ 3.62Å; L190-F257 HydrophobicContact CD2-CE1 4.43Å; L190-F257 HydrophobicContact CD2-CE2 4.06Å; L190-F257 HydrophobicContact CD2-CZ 3.51Å; L190-F257 HydrophobicContact CG-CZ 4.19Å
191	I	97.8	Very high	91.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.5	173.2	-51.9	-172.8	0	0	0	108.6	E162 A165 V189 I202 I206 D228 V229 K230	E162-I191 HydrophobicContact CB-CG2 4.32Å; A165-I191 HydrophobicContact CB-CG2 3.34Å; V189-I191 HydrophobicContact CG1-CD1 4.48Å; V189-I191 HydrophobicContact CG1-CG1 3.92Å; I191-I202 HydrophobicContact CB-CG2 3.91Å; I191-I202 HydrophobicContact CD1-CG2 4.23Å; I191-I202 HydrophobicContact CG2-CD1 3.87Å; I191-I202 HydrophobicContact CG2-CG1 4.4Å; I191-I202 HydrophobicContact CG2-CG2 3.68Å; I191-I206 HydrophobicContact CD1-CD1 3.93Å; I191-I206 HydrophobicContact CD1-CG1 4.44Å; I191-I206 HydrophobicContact CG1-CD1 4.33Å; I191-D228 PolarHBondContact N-O 3.18Å; I191-V229 VanDerWaalsContact O-CA 3.25Å; I191-V229 WeakPolarHBondContact O-CA 3.46Å; I191-V229 WeakPolarHBondContact O-CG1 3.42Å; I191-K230 PolarHBondContact O-N 3.33Å; I191-K230 VanDerWaalsContact O-N 3.15Å
192	T	96.9	Very high	91.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.7	-172.1	73.1	0	0	0	0	112.6	E162 L163 C164 A165 L190 K230 I232	E162-T192 PolarHBondContact O-N 3.33Å; E162-T192 PolarHBondContact O-OG1 3.22Å; L163-T192 WeakPolarHBondContact CA-OG1 3.42Å; L163-T192 WeakPolarHBondContact CD2-OG1 3.4Å; C164-T192 PolarHBondContact N-O 3.45Å; C164-T192 VanDerWaalsContact N-O 3.09Å; A165-T192 WeakPolarHBondContact CB-O 3.41Å; A165-T192 PolarHBondContact N-O 3.28Å; L190-T192 HydrophobicContact CD1-CG2 4.13Å; L190-T192 HydrophobicContact CD2-CG2 3.66Å; L190-T192 HydrophobicContact CG-CG2 3.52Å; T192-K230 VanDerWaalsContact CA-O 3.29Å; T192-K230 WeakPolarHBondContact CA-O 3.42Å; T192-K230 WeakPolarHBondContact CB-O 3.4Å; T192-K230 HydrophobicContact CG2-CB 4.5Å; T192-I232 HydrophobicContact CG2-CD1 3.68Å; T192-I232 HydrophobicContact CG2-CG1 4.06Å
193	D	94.1	Very high	92.4	Very high	14 Å²	14	23.9 Å²	23.9	8%	0.075	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.4	168.3	-159.3	-82.8	0	0	0	109.1	A165 G166 N195 C198 V199 I202 K230 N231 I232	A165-D193 PolarHBondContact N-OD2 3.04Å; G166-D193 WeakPolarHBondContact CA-OD2 3.26Å; G166-D193 PolarHBondContact N-OD2 3.44Å; D193-N195 VanDerWaalsContact C-N 3.31Å; D193-N195 VanDerWaalsContact OD1-CB 3.23Å; D193-N195 WeakPolarHBondContact OD1-CB 3.34Å; D193-N195 PolarHBondContact OD1-N 3.17Å; D193-C198 HydrophobicContact CB-CB 3.68Å; D193-V199 HydrophobicContact CB-CG2 4.29Å; D193-I202 HydrophobicContact CB-CD1 4.47Å; D193-K230 PolarHBondContact N-O 3.05Å; D193-N231 VanDerWaalsContact O-CA 3.28Å; D193-N231 WeakPolarHBondContact O-CA 3.22Å; D193-I232 PolarHBondContact O-N 2.82Å; D193-I232 VanDerWaalsContact O-N 3.09Å
194	G	90.3	Very high	92.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-81.3	-14.2	174.3	0	0	0	0	0	112.7	N231 I232 R233	G194-N231 PolarHBondContact O-ND2 2.91Å; G194-I232 WeakPolarHBondContact CA-O 3.47Å; G194-R233 WeakPolarHBondContact O-CG 3.37Å; G194-R233 VanDerWaalsContact O-CZ 3.32Å; G194-R233 PolarHBondContact O-NE 3.22Å; G194-R233 PolarHBondContact O-NH2 3.45Å
195	N	86	Confident	92.5	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.053	15%	0.147	C	C	.	.			trans	-95.1	125.5	-177	-167.9	-39.9	0	0	0	111.9	F116 D117 N118 N121 D193 Q197 C198 V199	F116-N195 PolarHBondContact O-ND2 2.79Å; D117-N195 PolarHBondContact O-ND2 2.93Å; N118-N195 PolarHBondContact OD1-ND2 2.89Å; N121-N195 PolarHBondContact ND2-ND2 3.03Å; D193-N195 VanDerWaalsContact C-N 3.31Å; D193-N195 VanDerWaalsContact OD1-CB 3.23Å; D193-N195 WeakPolarHBondContact OD1-CB 3.34Å; D193-N195 PolarHBondContact OD1-N 3.17Å; N195-Q197 PolarHBondContact O-N 3.12Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.35Å; N195-Q197 PolarHBondContact OD1-N 3.23Å; N195-C198 HydrophobicContact CB-CB 3.93Å; N195-C198 WeakPolarHBondContact O-CB 3.32Å; N195-C198 PolarHBondContact O-N 3.21Å; N195-C198 VanDerWaalsContact O-N 3.15Å; N195-V199 WeakPolarHBondContact O-CG2 3.19Å; N195-V199 PolarHBondContact O-N 3.35Å
196	D	87.6	Confident	92.6	Very high	90 Å²	90	20.8 Å²	20.8	48%	0.481	13%	0.128	S	C	.	.	H	α-helix	trans	-63.7	-29.6	-178.2	-65.2	-45.4	0	0	0	112.7	A200 N231 R233	D196-A200 WeakPolarHBondContact O-CB 3.29Å; D196-A200 PolarHBondContact O-N 3.47Å; D196-N231 PolarHBondContact OD1-ND2 3.4Å; D196-R233 VanDerWaalsContact CG-NH2 3.34Å; D196-R233 IonicContact OD1-NH2 3.27Å; D196-R233 IonicContact OD2-CZ 3.67Å; D196-R233 IonicContact OD2-NH1 3.05Å; D196-R233 IonicContact OD2-NH2 3.64Å; D196-R233 PolarHBondContact OD2-NH2 2.93Å
197	Q	84.5	Confident	92.5	Very high	67 Å²	67	26.9 Å²	26.9	31%	0.313	16%	0.156	S	C	.	.	H	α-helix	trans	-71.6	-40.7	175.8	-64.7	-177.6	-15.7	0	0	111.5	Y93 N121 N195 A200 S201	Y93-Q197 HydrophobicContact CE2-CB 4.45Å; N121-Q197 PolarHBondContact ND2-OE1 2.64Å; N195-Q197 PolarHBondContact O-N 3.12Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.35Å; N195-Q197 PolarHBondContact OD1-N 3.23Å; Q197-A200 PolarHBondContact O-N 3.07Å; Q197-S201 WeakPolarHBondContact O-CB 3.29Å; Q197-S201 PolarHBondContact O-N 3.02Å
198	C	88.9	Confident	92.5	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-51.2	172.2	-72.5	0	0	0	0	110.4	N121 G166 D193 N195 A200 S201 I202	N121-C198 PolarHBondContact OD1-SG 3.46Å; G166-C198 VanDerWaalsContact O-CB 3.23Å; G166-C198 WeakPolarHBondContact O-CB 3.5Å; D193-C198 HydrophobicContact CB-CB 3.68Å; N195-C198 HydrophobicContact CB-CB 3.93Å; N195-C198 WeakPolarHBondContact O-CB 3.32Å; N195-C198 PolarHBondContact O-N 3.21Å; N195-C198 VanDerWaalsContact O-N 3.15Å; C198-A200 VanDerWaalsContact C-N 3.35Å; C198-A200 PolarHBondContact O-N 2.93Å; C198-S201 WeakPolarHBondContact O-CB 3.36Å; C198-S201 PolarHBondContact O-N 3.04Å; C198-S201 VanDerWaalsContact O-N 3.11Å; C198-I202 WeakPolarHBondContact O-CD1 3.21Å; C198-I202 VanDerWaalsContact O-CG1 3.26Å; C198-I202 WeakPolarHBondContact O-CG1 3.45Å; C198-I202 PolarHBondContact O-N 2.82Å
199	V	92.5	Very high	92.2	Very high	22 Å²	22	26.8 Å²	26.8	13%	0.133	15%	0.149	C	C	.	.	H	α-helix	trans	-56.9	-46.8	178.2	169.3	0	0	0	0	111.3	D193 N195 S201 I202 S203 V229 N231	D193-V199 HydrophobicContact CB-CG2 4.29Å; N195-V199 WeakPolarHBondContact O-CG2 3.19Å; N195-V199 PolarHBondContact O-N 3.35Å; V199-S201 VanDerWaalsContact C-N 3.35Å; V199-S201 PolarHBondContact O-N 2.67Å; V199-I202 PolarHBondContact O-N 3.11Å; V199-S203 PolarHBondContact O-N 2.75Å; V199-S203 PolarHBondContact O-OG 3.29Å; V199-S203 VanDerWaalsContact O-OG 3.08Å; V199-V229 HydrophobicContact CB-CG1 4.34Å; V199-V229 HydrophobicContact CG1-CG1 3.86Å; V199-N231 HydrophobicContact CG2-CB 4.08Å
200	A	91.2	Very high	91.7	Very high	54 Å²	54	28.6 Å²	28.6	45%	0.446	16%	0.162	S	C	.	.	H	α-helix	trans	-62.8	-40.3	176.9	0	0	0	0	0	112.6	D196 Q197 C198 S204	D196-A200 WeakPolarHBondContact O-CB 3.29Å; D196-A200 PolarHBondContact O-N 3.47Å; Q197-A200 PolarHBondContact O-N 3.07Å; C198-A200 VanDerWaalsContact C-N 3.35Å; C198-A200 PolarHBondContact O-N 2.93Å; A200-S204 PolarHBondContact O-N 2.65Å; A200-S204 PolarHBondContact O-OG 3.05Å
201	S	90.6	Very high	91.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-49.4	176	-177.7	0	0	0	0	111.5	M167 Q197 C198 V199 S203 S204 I205	M167-S201 WeakPolarHBondContact O-CB 3.4Å; M167-S201 PolarHBondContact O-OG 3.18Å; Q197-S201 WeakPolarHBondContact O-CB 3.29Å; Q197-S201 PolarHBondContact O-N 3.02Å; C198-S201 WeakPolarHBondContact O-CB 3.36Å; C198-S201 PolarHBondContact O-N 3.04Å; C198-S201 VanDerWaalsContact O-N 3.11Å; V199-S201 VanDerWaalsContact C-N 3.35Å; V199-S201 PolarHBondContact O-N 2.67Å; S201-S203 VanDerWaalsContact C-N 3.33Å; S201-S203 PolarHBondContact O-N 2.6Å; S201-S204 WeakPolarHBondContact O-CB 3.24Å; S201-S204 PolarHBondContact O-N 2.96Å; S201-I205 WeakPolarHBondContact O-CG1 3.28Å; S201-I205 PolarHBondContact O-N 3.37Å
202	I	94.2	Very high	90.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-43.7	178.9	-63.9	158.9	0	0	0	110.5	A165 G166 I191 D193 C198 V199 S204 I205 I206 V229	A165-I202 HydrophobicContact CB-CD1 3.81Å; G166-I202 WeakPolarHBondContact O-CD1 3.32Å; I191-I202 HydrophobicContact CB-CG2 3.91Å; I191-I202 HydrophobicContact CD1-CG2 4.23Å; I191-I202 HydrophobicContact CG2-CD1 3.87Å; I191-I202 HydrophobicContact CG2-CG1 4.4Å; I191-I202 HydrophobicContact CG2-CG2 3.68Å; D193-I202 HydrophobicContact CB-CD1 4.47Å; C198-I202 WeakPolarHBondContact O-CD1 3.21Å; C198-I202 VanDerWaalsContact O-CG1 3.26Å; C198-I202 WeakPolarHBondContact O-CG1 3.45Å; C198-I202 PolarHBondContact O-N 2.82Å; V199-I202 PolarHBondContact O-N 3.11Å; I202-S204 VanDerWaalsContact C-N 3.31Å; I202-S204 PolarHBondContact O-N 3.19Å; I202-I205 WeakPolarHBondContact O-CA 3.28Å; I202-I205 WeakPolarHBondContact O-CB 3.24Å; I202-I205 PolarHBondContact O-N 3.41Å; I202-I206 HydrophobicContact CG2-CD1 3.93Å; I202-I206 HydrophobicContact CG2-CG1 4.19Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.81Å; I202-V229 HydrophobicContact CB-CG1 3.91Å; I202-V229 HydrophobicContact CB-CG2 4.33Å; I202-V229 HydrophobicContact CD1-CG1 4.48Å; I202-V229 HydrophobicContact CG2-CB 4.41Å; I202-V229 HydrophobicContact CG2-CG1 3.81Å; I202-V229 HydrophobicContact CG2-CG2 3.63Å
203	S	94.8	Very high	89.7	Confident	52 Å²	52	37 Å²	37	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-56.4	-44.9	176.7	-66	0	0	0	0	112	V199 S201 I205 I206 E207	V199-S203 PolarHBondContact O-N 2.75Å; V199-S203 PolarHBondContact O-OG 3.29Å; V199-S203 VanDerWaalsContact O-OG 3.08Å; S201-S203 VanDerWaalsContact C-N 3.33Å; S201-S203 PolarHBondContact O-N 2.6Å; S203-I205 VanDerWaalsContact C-N 3.35Å; S203-I205 PolarHBondContact O-N 3.34Å; S203-I206 PolarHBondContact O-N 3.12Å; S203-E207 PolarHBondContact O-N 3.44Å; S203-E207 VanDerWaalsContact O-N 3.08Å
204	S	92.9	Very high	88.9	Confident	34 Å²	34	42.2 Å²	42.2	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-38	174.4	-57.3	0	0	0	0	112.8	R91 A200 S201 I202 H208	R91-S204 PolarHBondContact NH1-OG 3.01Å; A200-S204 PolarHBondContact O-N 2.65Å; A200-S204 PolarHBondContact O-OG 3.05Å; S201-S204 WeakPolarHBondContact O-CB 3.24Å; S201-S204 PolarHBondContact O-N 2.96Å; I202-S204 VanDerWaalsContact C-N 3.31Å; I202-S204 PolarHBondContact O-N 3.19Å; S204-H208 WeakPolarHBondContact O-CB 3.44Å; S204-H208 PolarHBondContact O-N 2.96Å
205	I	93.5	Very high	88.3	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-46.5	177.5	-71.4	168.1	0	0	0	110.9	W63 H89 V90 R91 M167 L173 S201 I202 S203 H208 N209	W63-I205 HydrophobicContact CH2-CG1 4.19Å; W63-I205 HydrophobicContact CZ3-CG1 4.14Å; H89-I205 WeakPolarHBondContact O-CG2 3.35Å; V90-I205 HydrophobicContact CB-CD1 4.43Å; R91-I205 HydrophobicContact CB-CD1 3.87Å; R91-I205 HydrophobicContact CB-CG1 3.68Å; R91-I205 VanDerWaalsContact N-CD1 3.34Å; M167-I205 WeakPolarHBondContact O-CD1 3.35Å; L173-I205 HydrophobicContact CD2-CG2 3.99Å; S201-I205 WeakPolarHBondContact O-CG1 3.28Å; S201-I205 PolarHBondContact O-N 3.37Å; I202-I205 WeakPolarHBondContact O-CA 3.28Å; I202-I205 WeakPolarHBondContact O-CB 3.24Å; I202-I205 PolarHBondContact O-N 3.41Å; S203-I205 VanDerWaalsContact C-N 3.35Å; S203-I205 PolarHBondContact O-N 3.34Å; I205-H208 PolarHBondContact O-N 2.79Å; I205-N209 WeakPolarHBondContact O-CB 3.41Å; I205-N209 PolarHBondContact O-N 3.49Å; I205-N209 PolarHBondContact O-ND2 3.41Å
206	I	93.3	Very high	87.5	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.077	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-44.8	-179.9	-69.4	-176.6	0	0	0	110.7	I191 I202 S203 H208 N209 S210 M227 V229	I191-I206 HydrophobicContact CD1-CD1 3.93Å; I191-I206 HydrophobicContact CD1-CG1 4.44Å; I191-I206 HydrophobicContact CG1-CD1 4.33Å; I202-I206 HydrophobicContact CG2-CD1 3.93Å; I202-I206 HydrophobicContact CG2-CG1 4.19Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.81Å; S203-I206 PolarHBondContact O-N 3.12Å; I206-H208 PolarHBondContact O-N 3.31Å; I206-N209 PolarHBondContact O-N 3.4Å; I206-S210 VanDerWaalsContact O-CB 3.28Å; I206-S210 WeakPolarHBondContact O-CB 3.35Å; I206-S210 PolarHBondContact O-N 3.16Å; I206-S210 PolarHBondContact O-OG 3.38Å; I206-M227 HydrophobicContact CD1-CB 4.18Å; I206-M227 HydrophobicContact CG2-CB 3.77Å; I206-M227 HydrophobicContact CG2-CE 3.8Å; I206-M227 HydrophobicContact CG2-SD 4.16Å; I206-V229 HydrophobicContact CD1-CG2 3.37Å; I206-V229 HydrophobicContact CG1-CG2 4.37Å
207	E	91.6	Very high	86.4	Confident	146 Å²	146	49.6 Å²	49.6	68%	0.682	27%	0.268	S	S	*	.	H	α-helix	trans	-59.5	-48	177.6	-176.5	177.8	-169.3	0	0	111.4	S203 S210 K211	S203-E207 PolarHBondContact O-N 3.44Å; S203-E207 VanDerWaalsContact O-N 3.08Å; E207-S210 PolarHBondContact O-N 2.81Å; E207-K211 PolarHBondContact O-N 2.88Å
208	H	90.4	Very high	85.1	Confident	53 Å²	53	53 Å²	53	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-46.6	178.2	-179.9	76.8	0	0	0	112.6	W63 H89 S204 I205 I206 K211 R212	W63-H208 HydrophobicContact CH2-CB 3.56Å; W63-H208 AromaticContact CH2-CG 3.83Å; W63-H208 HydrophobicContact CZ2-CB 4.44Å; W63-H208 HydrophobicContact CZ3-CB 3.92Å; W63-H208 AromaticContact CZ3-CD2 3.5Å; W63-H208 VanDerWaalsContact CZ3-CD2 3.5Å; W63-H208 WeakPolarHBondContact CZ3-CD2 3.23Å; W63-H208 AromaticContact CZ3-CG 3.81Å; H89-H208 AromaticContact CG-NE2 3.86Å; H89-H208 AromaticContact ND1-CD2 3.63Å; H89-H208 AromaticContact ND1-NE2 3.07Å; H89-H208 PolarHBondContact ND1-NE2 2.65Å; S204-H208 WeakPolarHBondContact O-CB 3.44Å; S204-H208 PolarHBondContact O-N 2.96Å; I205-H208 PolarHBondContact O-N 2.79Å; I206-H208 PolarHBondContact O-N 3.31Å; H208-K211 PolarHBondContact O-N 3.13Å; H208-R212 WeakPolarHBondContact O-CB 3.37Å; H208-R212 PolarHBondContact O-N 2.84Å
209	N	89.4	Confident	83.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-39.2	179.2	-80	-83.8	0	0	0	112.1	H89 L173 I205 I206 K211 R212 L213	H89-N209 PolarHBondContact N-OD1 3.26Å; H89-N209 PolarHBondContact O-ND2 2.76Å; L173-N209 HydrophobicContact CD1-CB 3.91Å; I205-N209 WeakPolarHBondContact O-CB 3.41Å; I205-N209 PolarHBondContact O-N 3.49Å; I205-N209 PolarHBondContact O-ND2 3.41Å; I206-N209 PolarHBondContact O-N 3.4Å; N209-K211 PolarHBondContact O-N 2.95Å; N209-R212 WeakPolarHBondContact O-CB 3.49Å; N209-R212 PolarHBondContact O-N 3.48Å; N209-R212 PolarHBondContact OD1-NH2 3.13Å; N209-L213 VanDerWaalsContact O-CG 3.28Å; N209-L213 WeakPolarHBondContact O-CG 3.47Å; N209-L213 PolarHBondContact O-N 2.86Å
210	S	86.3	Confident	81.9	Confident	39 Å²	39	63 Å²	63	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-46.2	177.5	-59	0	0	0	0	111	I206 E207 L213 L214 M227	I206-S210 VanDerWaalsContact O-CB 3.28Å; I206-S210 WeakPolarHBondContact O-CB 3.35Å; I206-S210 PolarHBondContact O-N 3.16Å; I206-S210 PolarHBondContact O-OG 3.38Å; E207-S210 PolarHBondContact O-N 2.81Å; S210-L213 PolarHBondContact O-N 3.46Å; S210-L214 WeakPolarHBondContact O-CG 3.42Å; S210-L214 PolarHBondContact O-N 2.84Å; S210-L214 VanDerWaalsContact O-N 3.11Å; S210-M227 WeakPolarHBondContact OG-CE 3.33Å
211	K	86	Confident	80.1	Confident	136 Å²	136	67.5 Å²	67.5	59%	0.591	35%	0.352	S	S	*	.	H	α-helix	trans	-59.7	-47.3	174.2	-175.6	177.2	179.4	179.5	0	111.9	E207 H208 N209 L213 L214 D215	E207-K211 PolarHBondContact O-N 2.88Å; H208-K211 PolarHBondContact O-N 3.13Å; N209-K211 PolarHBondContact O-N 2.95Å; K211-L213 VanDerWaalsContact C-N 3.29Å; K211-L213 PolarHBondContact O-N 2.84Å; K211-L214 PolarHBondContact O-N 2.92Å; K211-D215 VanDerWaalsContact O-CG 3.32Å; K211-D215 PolarHBondContact O-N 2.84Å
212	R	84.1	Confident	78.2	Confident	26 Å²	26	71.5 Å²	71.5	10%	0.098	38%	0.378	C	S	.	.	H	α-helix	trans	-57.2	-40.1	177.6	-179	177.4	70.5	133.6	4.2	112.7	S87 H89 H208 N209 N216	S87-R212 PolarHBondContact O-NH2 2.93Å; S87-R212 PolarHBondContact OG-NH1 3.01Å; H89-R212 PolarHBondContact CD2-NH1 2.81Å; H89-R212 WeakPolarHBondContact CE1-CD 3.28Å; H89-R212 WeakPolarHBondContact ND1-CD 3.41Å; H89-R212 PolarHBondContact NE2-NH1 3.42Å; H208-R212 WeakPolarHBondContact O-CB 3.37Å; H208-R212 PolarHBondContact O-N 2.84Å; N209-R212 WeakPolarHBondContact O-CB 3.49Å; N209-R212 PolarHBondContact O-N 3.48Å; N209-R212 PolarHBondContact OD1-NH2 3.13Å; R212-N216 WeakPolarHBondContact CG-ND2 3.35Å; R212-N216 VanDerWaalsContact O-CB 3.29Å; R212-N216 WeakPolarHBondContact O-CB 3.37Å; R212-N216 PolarHBondContact O-N 2.9Å; R212-N216 VanDerWaalsContact O-N 3.09Å; R212-N216 PolarHBondContact O-ND2 2.79Å
213	L	80.8	Confident	76.5	Confident	17 Å²	17	74 Å²	74	9%	0.089	39%	0.389	C	S	.	.	H	α-helix	trans	-69.1	-41.8	179.1	-70.6	167.9	0	0	0	111.9	I84 V85 L177 N209 S210 K211 D215 C217	I84-L213 HydrophobicContact CG2-CD2 4.36Å; V85-L213 HydrophobicContact CB-CD2 4.38Å; V85-L213 HydrophobicContact CG1-CD2 3.43Å; V85-L213 VanDerWaalsContact CG1-CD2 3.43Å; V85-L213 HydrophobicContact CG2-CD2 4.05Å; L177-L213 HydrophobicContact CD2-CD1 3.62Å; L177-L213 HydrophobicContact CD2-CD2 3.71Å; L177-L213 HydrophobicContact CD2-CG 4.19Å; N209-L213 VanDerWaalsContact O-CG 3.28Å; N209-L213 WeakPolarHBondContact O-CG 3.47Å; N209-L213 PolarHBondContact O-N 2.86Å; S210-L213 PolarHBondContact O-N 3.46Å; K211-L213 VanDerWaalsContact C-N 3.29Å; K211-L213 PolarHBondContact O-N 2.84Å; L213-D215 VanDerWaalsContact C-N 3.35Å; L213-C217 VanDerWaalsContact O-CB 3.31Å; L213-C217 WeakPolarHBondContact O-CB 3.49Å; L213-C217 PolarHBondContact O-N 2.83Å; L213-C217 VanDerWaalsContact O-N 3.1Å
214	L	79	Confident	75	Confident	122 Å²	122	78.3 Å²	78.3	64%	0.639	41%	0.407	S	S	*	.	H	α-helix	trans	-62.3	-43	176	-69	170.1	0	0	0	111.6	S210 K211	S210-L214 WeakPolarHBondContact O-CG 3.42Å; S210-L214 PolarHBondContact O-N 2.84Å; S210-L214 VanDerWaalsContact O-N 3.11Å; K211-L214 PolarHBondContact O-N 2.92Å
215	D	77.9	Confident	74.7	Confident	108 Å²	108	77.8 Å²	77.8	58%	0.578	40%	0.402	S	S	*	.	H	α-helix	trans	-70.7	-37.8	-177.9	-68.3	-18.7	0	0	0	112.5	K211 L213	K211-D215 VanDerWaalsContact O-CG 3.32Å; K211-D215 PolarHBondContact O-N 2.84Å; L213-D215 VanDerWaalsContact C-N 3.35Å
216	N	68.8	Low	74.6	Confident	114 Å²	114	82.4 Å²	82.4	61%	0.61	42%	0.423	S	S	*	.	H	α-helix	trans	-93.2	-30.6	-170.3	-74.2	-27.5	0	0	0	114.9	R212	R212-N216 WeakPolarHBondContact CG-ND2 3.35Å; R212-N216 VanDerWaalsContact O-CB 3.29Å; R212-N216 WeakPolarHBondContact O-CB 3.37Å; R212-N216 PolarHBondContact O-N 2.9Å; R212-N216 VanDerWaalsContact O-N 3.09Å; R212-N216 PolarHBondContact O-ND2 2.79Å
217	C	63.4	Low	74.7	Confident	34 Å²	34	83 Å²	83	23%	0.23	43%	0.426	C	S	.	.	S	Bend	trans	-95.7	0.9	-163.1	-65	0	0	0	0	114.3	L213 L219	L213-C217 VanDerWaalsContact O-CB 3.31Å; L213-C217 WeakPolarHBondContact O-CB 3.49Å; L213-C217 PolarHBondContact O-N 2.83Å; L213-C217 VanDerWaalsContact O-N 3.1Å; C217-L219 HydrophobicContact CB-CD1 3.6Å; C217-L219 HydrophobicContact CB-CD2 3.88Å; C217-L219 HydrophobicContact CB-CG 3.38Å; C217-L219 PolarHBondContact O-N 2.91Å
218	N	58.4	Low	74.9	Confident	138 Å²	138	78.4 Å²	78.4	74%	0.738	41%	0.406	S	S	*	.			trans	36.1	44.4	-175.7	-83.7	-15.6	0	0	0	111.2	D220	N218-D220 PolarHBondContact O-N 2.79Å
219	L	59.7	Low	75.2	Confident	74 Å²	74	77.3 Å²	77.3	39%	0.387	40%	0.403	S	S	.	.			trans	-73.2	101.6	-170.6	-67.4	165.3	0	0	0	106.9	C217 Q221 F223	C217-L219 HydrophobicContact CB-CD1 3.6Å; C217-L219 HydrophobicContact CB-CD2 3.88Å; C217-L219 HydrophobicContact CB-CG 3.38Å; C217-L219 PolarHBondContact O-N 2.91Å; L219-Q221 VanDerWaalsContact CB-O 3.3Å; L219-Q221 WeakPolarHBondContact CB-O 2.81Å; L219-Q221 CarbonylContact O-C 3.53Å; L219-Q221 PolarHBondContact O-N 3.43Å; L219-F223 HydrophobicContact CD1-CB 4.2Å
220	D	54.6	Low	75.5	Confident	160 Å²	160	80.1 Å²	80.1	86%	0.856	42%	0.415	S	S	*	.	S	Bend	trans	-59.3	-7.9	175.7	-71	-33.9	0	0	0	112.8	N218	N218-D220 PolarHBondContact O-N 2.79Å
221	Q	51.7	Low	75.9	Confident	147 Å²	147	80.8 Å²	80.8	69%	0.687	42%	0.416	S	S	*	.	S	Bend	trans	-129	129.3	166.2	-70.2	-67.1	-57.1	0	0	108.3	L219 F223	L219-Q221 VanDerWaalsContact CB-O 3.3Å; L219-Q221 WeakPolarHBondContact CB-O 2.81Å; L219-Q221 CarbonylContact O-C 3.53Å; L219-Q221 PolarHBondContact O-N 3.43Å; Q221-F223 PolarHBondContact O-N 3.07Å
222	P	51.6	Low	76.3	Confident	86 Å²	86	74.7 Å²	74.7	56%	0.558	39%	0.389	S	S	*	.			trans	-56	121.5	170	23.8	-30.3	0	0	0	107.3	L224	P222-L224 VanDerWaalsContact C-N 3.28Å; P222-L224 PolarHBondContact O-N 3.01Å
223	F	58.4	Low	76.6	Confident	53 Å²	53	78.7 Å²	78.7	23%	0.232	41%	0.405	C	S	.	.			trans	-58.7	101.8	166.7	-174.3	-111.1	0	0	0	105.8	I84 S176 L219 Q221 L225	I84-F223 HydrophobicContact CD1-CD1 4.34Å; I84-F223 HydrophobicContact CD1-CD2 3.74Å; I84-F223 HydrophobicContact CD1-CE1 4.09Å; I84-F223 HydrophobicContact CD1-CE2 3.51Å; I84-F223 HydrophobicContact CD1-CG 4.17Å; I84-F223 HydrophobicContact CD1-CZ 3.7Å; S176-F223 WeakPolarHBondContact O-CE1 3.28Å; S176-F223 WeakPolarHBondContact O-CZ 3.17Å; L219-F223 HydrophobicContact CD1-CB 4.2Å; Q221-F223 PolarHBondContact O-N 3.07Å; F223-L225 HydrophobicContact CD1-CB 3.37Å; F223-L225 HydrophobicContact CD1-CD2 4.3Å; F223-L225 HydrophobicContact CD1-CG 4.45Å; F223-L225 HydrophobicContact CE1-CB 3.24Å; F223-L225 HydrophobicContact CE1-CD2 3.53Å; F223-L225 HydrophobicContact CE1-CG 3.95Å; F223-L225 HydrophobicContact CG-CB 4.37Å; F223-L225 HydrophobicContact CZ-CB 4.13Å; F223-L225 HydrophobicContact CZ-CD2 4.36Å; F223-L225 PolarHBondContact O-N 3.24Å
224	L	64.2	Low	76.9	Confident	141 Å²	141	78.8 Å²	78.8	74%	0.738	40%	0.404	S	S	*	.			trans	-74	48.7	-176.1	-90.7	154.3	0	0	0	109.9	P222	P222-L224 VanDerWaalsContact C-N 3.28Å; P222-L224 PolarHBondContact O-N 3.01Å
225	L	85.8	Confident	77.2	Confident	24 Å²	24	74.5 Å²	74.5	13%	0.126	38%	0.383	C	S	.	.			trans	-94.4	113.3	170.1	-177	68.6	0	0	0	108.4	S176 T186 V189 F223 M227	S176-L225 WeakPolarHBondContact O-CD2 3.38Å; T186-L225 HydrophobicContact CG2-CD1 3.82Å; V189-L225 HydrophobicContact CG2-CD1 4.03Å; V189-L225 HydrophobicContact CG2-CD2 4.35Å; F223-L225 HydrophobicContact CD1-CB 3.37Å; F223-L225 HydrophobicContact CD1-CD2 4.3Å; F223-L225 HydrophobicContact CD1-CG 4.45Å; F223-L225 HydrophobicContact CE1-CB 3.24Å; F223-L225 HydrophobicContact CE1-CD2 3.53Å; F223-L225 HydrophobicContact CE1-CG 3.95Å; F223-L225 HydrophobicContact CG-CB 4.37Å; F223-L225 HydrophobicContact CZ-CB 4.13Å; F223-L225 HydrophobicContact CZ-CD2 4.36Å; F223-L225 PolarHBondContact O-N 3.24Å; L225-M227 HydrophobicContact CD2-CG 3.98Å; L225-M227 HydrophobicContact CD2-SD 4.27Å; L225-M227 HydrophobicContact CG-CG 4.12Å
226	H	91.5	Very high	77.6	Confident	98 Å²	98	72 Å²	72	45%	0.454	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.3	169.4	-174	51.9	0	0	0	109.1	S187 Y188 V189 D228	S187-H226 PolarHBondContact O-N 3.5Å; Y188-H226 WeakPolarHBondContact CA-O 3.38Å; Y188-H226 HydrophobicContact CD2-CB 4.06Å; Y188-H226 AromaticContact CD2-CD2 3.44Å; Y188-H226 VanDerWaalsContact CD2-CD2 3.44Å; Y188-H226 WeakPolarHBondContact CD2-CD2 3.44Å; Y188-H226 WeakPolarHBondContact CD2-O 3.36Å; Y188-H226 AromaticContact CE2-CD2 3.33Å; Y188-H226 WeakPolarHBondContact CE2-CD2 3.35Å; Y188-H226 AromaticContact CE2-NE2 3.95Å; V189-H226 PolarHBondContact N-O 3.39Å; H226-D228 IonicContact CD2-OD2 3.62Å; H226-D228 IonicContact CE1-OD1 3.9Å; H226-D228 PolarHBondContact CE1-OD1 2.92Å; H226-D228 VanDerWaalsContact CE1-OD1 3.25Å; H226-D228 IonicContact CE1-OD2 2.75Å; H226-D228 IonicContact NE2-OD1 2.66Å; H226-D228 PolarHBondContact NE2-OD1 3.32Å; H226-D228 IonicContact NE2-OD2 3.72Å; H226-D228 PolarHBondContact NE2-OD2 3.48Å
227	M	94.4	Very high	78.3	Confident	27 Å²	27	68.6 Å²	68.6	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.1	176.2	-70.6	-169.6	-77.2	0	0	109.7	S176 V189 I206 S210 L225	S176-M227 VanDerWaalsContact CB-SD 3.53Å; V189-M227 HydrophobicContact CB-CG 4.28Å; V189-M227 VanDerWaalsContact O-CA 3.3Å; V189-M227 WeakPolarHBondContact O-CA 3.35Å; I206-M227 HydrophobicContact CD1-CB 4.18Å; I206-M227 HydrophobicContact CG2-CB 3.77Å; I206-M227 HydrophobicContact CG2-CE 3.8Å; I206-M227 HydrophobicContact CG2-SD 4.16Å; S210-M227 WeakPolarHBondContact OG-CE 3.33Å; L225-M227 HydrophobicContact CD2-CG 3.98Å; L225-M227 HydrophobicContact CD2-SD 4.27Å; L225-M227 HydrophobicContact CG-CG 4.12Å
228	D	95.5	Very high	79.1	Confident	49 Å²	49	71.2 Å²	71.2	26%	0.262	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.9	174.8	-79.1	-32.4	0	0	0	111.2	Y188 V189 L190 I191 H226	Y188-D228 HydrophobicContact CE2-CB 3.95Å; Y188-D228 VanDerWaalsContact CE2-OD2 3.23Å; Y188-D228 WeakPolarHBondContact CE2-OD2 3.46Å; Y188-D228 PolarHBondContact OH-OD2 3.5Å; V189-D228 PolarHBondContact O-N 3.31Å; L190-D228 HydrophobicContact CD1-CB 3.64Å; I191-D228 PolarHBondContact N-O 3.18Å; H226-D228 IonicContact CD2-OD2 3.62Å; H226-D228 IonicContact CE1-OD1 3.9Å; H226-D228 PolarHBondContact CE1-OD1 2.92Å; H226-D228 VanDerWaalsContact CE1-OD1 3.25Å; H226-D228 IonicContact CE1-OD2 2.75Å; H226-D228 IonicContact NE2-OD1 2.66Å; H226-D228 PolarHBondContact NE2-OD1 3.32Å; H226-D228 IonicContact NE2-OD2 3.72Å; H226-D228 PolarHBondContact NE2-OD2 3.48Å
229	V	97	Very high	79.6	Confident	31 Å²	31	66.5 Å²	66.5	19%	0.188	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131	168.3	-164.2	0	0	0	0	109.1	I191 V199 I202 I206	I191-V229 VanDerWaalsContact O-CA 3.25Å; I191-V229 WeakPolarHBondContact O-CA 3.46Å; I191-V229 WeakPolarHBondContact O-CG1 3.42Å; V199-V229 HydrophobicContact CB-CG1 4.34Å; V199-V229 HydrophobicContact CG1-CG1 3.86Å; I202-V229 HydrophobicContact CB-CG1 3.91Å; I202-V229 HydrophobicContact CB-CG2 4.33Å; I202-V229 HydrophobicContact CD1-CG1 4.48Å; I202-V229 HydrophobicContact CG2-CB 4.41Å; I202-V229 HydrophobicContact CG2-CG1 3.81Å; I202-V229 HydrophobicContact CG2-CG2 3.63Å; I206-V229 HydrophobicContact CD1-CG2 3.37Å; I206-V229 HydrophobicContact CG1-CG2 4.37Å
230	K	96.6	Very high	79.5	Confident	58 Å²	58	72.9 Å²	72.9	25%	0.252	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.2	175.8	-71.6	-174.8	173.8	-170.5	0	111.9	L190 I191 T192 D193 I232 D250 L253	L190-K230 HydrophobicContact CD1-CB 4.02Å; L190-K230 HydrophobicContact CD1-CD 4.07Å; L190-K230 HydrophobicContact CD1-CG 3.83Å; I191-K230 PolarHBondContact O-N 3.33Å; I191-K230 VanDerWaalsContact O-N 3.15Å; T192-K230 VanDerWaalsContact CA-O 3.29Å; T192-K230 WeakPolarHBondContact CA-O 3.42Å; T192-K230 WeakPolarHBondContact CB-O 3.4Å; T192-K230 HydrophobicContact CG2-CB 4.5Å; D193-K230 PolarHBondContact N-O 3.05Å; K230-I232 PolarHBondContact O-N 2.99Å; K230-D250 IonicContact NZ-OD2 3.42Å; K230-D250 PolarHBondContact NZ-OD2 3.11Å; K230-L253 HydrophobicContact CD-CD1 3.83Å
231	N	95	Very high	79.8	Confident	54 Å²	54	67.9 Å²	67.9	29%	0.289	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118	164.9	-172.1	-56.4	0	0	0	108.8	D193 G194 D196 V199 R233	D193-N231 VanDerWaalsContact O-CA 3.28Å; D193-N231 WeakPolarHBondContact O-CA 3.22Å; G194-N231 PolarHBondContact O-ND2 2.91Å; D196-N231 PolarHBondContact OD1-ND2 3.4Å; V199-N231 HydrophobicContact CG2-CB 4.08Å; N231-R233 WeakPolarHBondContact OD1-CG 3.28Å
232	I	94.2	Very high	80.1	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.036	36%	0.356	C	S	.	.			trans	-122.9	108.9	170.5	-60.7	-173.5	0	0	0	107.9	T192 D193 G194 K230 A247 L249 T278 L282	T192-I232 HydrophobicContact CG2-CD1 3.68Å; T192-I232 HydrophobicContact CG2-CG1 4.06Å; D193-I232 PolarHBondContact O-N 2.82Å; D193-I232 VanDerWaalsContact O-N 3.09Å; G194-I232 WeakPolarHBondContact CA-O 3.47Å; K230-I232 PolarHBondContact O-N 2.99Å; I232-A247 HydrophobicContact CG2-CB 4.25Å; I232-L249 HydrophobicContact CD1-CD2 3.84Å; I232-L249 HydrophobicContact CG1-CD2 4.33Å; I232-L249 HydrophobicContact CG2-CD2 3.93Å; I232-T278 HydrophobicContact CG2-CG2 4.23Å; I232-L282 HydrophobicContact CD1-CD1 4.39Å
233	R	89.7	Confident	80.5	Confident	110 Å²	110	66.6 Å²	66.6	42%	0.415	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-101	131.6	173.4	-79.1	172.5	-178.8	155.5	15.1	110.4	G194 D196 N231 A247	G194-R233 WeakPolarHBondContact O-CG 3.37Å; G194-R233 VanDerWaalsContact O-CZ 3.32Å; G194-R233 PolarHBondContact O-NE 3.22Å; G194-R233 PolarHBondContact O-NH2 3.45Å; D196-R233 VanDerWaalsContact CG-NH2 3.34Å; D196-R233 IonicContact OD1-NH2 3.27Å; D196-R233 IonicContact OD2-CZ 3.67Å; D196-R233 IonicContact OD2-NH1 3.05Å; D196-R233 IonicContact OD2-NH2 3.64Å; D196-R233 PolarHBondContact OD2-NH2 2.93Å; N231-R233 WeakPolarHBondContact OD1-CG 3.28Å; R233-A247 WeakPolarHBondContact O-CB 3.43Å
234	W	87.6	Confident	80.8	Confident	19 Å²	19	65.3 Å²	65.3	7%	0.072	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-89.4	136.1	170.4	-40.3	-41.5	0	0	0	109.1	C164 Y271 S274 M275	C164-W234 HydrophobicContact CB-CH2 4.49Å; C164-W234 WeakPolarHBondContact SG-CH2 3.32Å; C164-W234 WeakPolarHBondContact SG-CZ2 3.42Å; W234-Y271 HydrophobicContact CB-CD1 4.49Å; W234-S274 WeakPolarHBondContact CB-OG 3.2Å; W234-M275 HydrophobicContact CD2-CB 4.12Å; W234-M275 HydrophobicContact CD2-CG 4.34Å; W234-M275 HydrophobicContact CE3-CB 3.91Å; W234-M275 HydrophobicContact CE3-CG 4.18Å; W234-M275 HydrophobicContact CH2-CB 4.24Å; W234-M275 HydrophobicContact CH2-CE 3.64Å; W234-M275 HydrophobicContact CH2-CG 3.6Å; W234-M275 HydrophobicContact CH2-SD 3.53Å; W234-M275 VanDerWaalsContact CH2-SD 3.53Å; W234-M275 HydrophobicContact CZ2-CB 4.48Å; W234-M275 HydrophobicContact CZ2-CE 4.11Å; W234-M275 HydrophobicContact CZ2-CG 3.81Å; W234-M275 HydrophobicContact CZ2-SD 4.28Å; W234-M275 HydrophobicContact CZ3-CB 3.97Å; W234-M275 HydrophobicContact CZ3-CE 4.46Å; W234-M275 HydrophobicContact CZ3-CG 3.81Å; W234-M275 HydrophobicContact CZ3-SD 3.76Å
235	P	86.4	Confident	81.1	Confident	32 Å²	32	60.2 Å²	60.2	21%	0.208	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-73.4	154.6	175.7	32.1	-37.5	0	0	0	111.5	S244 Y271 S274	P235-S244 WeakPolarHBondContact CB-O 3.39Å; P235-S244 WeakPolarHBondContact CG-O 3.49Å; P235-Y271 WeakPolarHBondContact O-CD1 3.41Å; P235-S274 VanDerWaalsContact O-CB 3.23Å; P235-S274 WeakPolarHBondContact O-CB 3.46Å; P235-S274 PolarHBondContact O-OG 3.44Å
236	D	84.6	Confident	80.7	Confident	55 Å²	55	62.8 Å²	62.8	29%	0.294	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.4	130.7	176.8	-172.7	-45.9	0	0	0	110.5	S238 S239 Y271	D236-S238 VanDerWaalsContact CG-OG 3.29Å; D236-S238 PolarHBondContact O-N 2.93Å; D236-S238 VanDerWaalsContact O-N 3.16Å; D236-S238 VanDerWaalsContact OD1-CB 3.24Å; D236-S238 WeakPolarHBondContact OD1-CB 3.48Å; D236-S238 PolarHBondContact OD1-N 3.47Å; D236-S238 PolarHBondContact OD1-OG 3.4Å; D236-S239 VanDerWaalsContact O-CB 3.24Å; D236-S239 WeakPolarHBondContact O-CB 3.44Å; D236-S239 PolarHBondContact O-N 3.23Å; D236-S239 PolarHBondContact O-OG 2.67Å; D236-Y271 HydrophobicContact CB-CE1 4.02Å
237	D	84	Confident	80.3	Confident	43 Å²	43	58.2 Å²	58.2	23%	0.23	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19	-177.6	-67.3	-22.7	0	0	0	113	S239 L245 S270 H272 F273 S274	D237-S239 VanDerWaalsContact C-N 3.3Å; D237-L245 HydrophobicContact CB-CD2 4.42Å; D237-S270 VanDerWaalsContact CB-O 3.28Å; D237-S270 WeakPolarHBondContact CB-O 3.23Å; D237-S270 VanDerWaalsContact CG-O 3.23Å; D237-S270 PolarHBondContact N-O 3.46Å; D237-H272 PolarHBondContact OD2-N 3.37Å; D237-F273 WeakPolarHBondContact OD2-CB 3.12Å; D237-F273 PolarHBondContact OD2-N 2.78Å; D237-S274 WeakPolarHBondContact OD1-CB 3.38Å; D237-S274 PolarHBondContact OD1-N 3.16Å; D237-S274 PolarHBondContact OD1-OG 2.63Å
238	S	79.9	Confident	79.9	Confident	90 Å²	90	66 Å²	66	63%	0.629	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.8	175.1	70.8	0	0	0	0	114	D236 Q240	D236-S238 VanDerWaalsContact CG-OG 3.29Å; D236-S238 PolarHBondContact O-N 2.93Å; D236-S238 VanDerWaalsContact O-N 3.16Å; D236-S238 VanDerWaalsContact OD1-CB 3.24Å; D236-S238 WeakPolarHBondContact OD1-CB 3.48Å; D236-S238 PolarHBondContact OD1-N 3.47Å; D236-S238 PolarHBondContact OD1-OG 3.4Å; S238-Q240 PolarHBondContact O-N 2.79Å
239	S	69.9	Low	79.7	Confident	38 Å²	38	64.6 Å²	64.6	27%	0.266	36%	0.355	S	S	.	.			trans	-64.9	118.9	177.3	62.7	0	0	0	0	110.4	D236 D237 S241 S244	D236-S239 VanDerWaalsContact O-CB 3.24Å; D236-S239 WeakPolarHBondContact O-CB 3.44Å; D236-S239 PolarHBondContact O-N 3.23Å; D236-S239 PolarHBondContact O-OG 2.67Å; D237-S239 VanDerWaalsContact C-N 3.3Å; S239-S241 PolarHBondContact O-N 2.85Å; S239-S244 VanDerWaalsContact CB-OG 3.24Å; S239-S244 WeakPolarHBondContact CB-OG 3.5Å; S239-S244 PolarHBondContact O-OG 3.44Å; S239-S244 WeakPolarHBondContact OG-CB 2.96Å; S239-S244 PolarHBondContact OG-O 2.95Å; S239-S244 PolarHBondContact OG-OG 2.98Å
240	Q	56.7	Low	79.4	Confident	208 Å²	208	66.8 Å²	66.8	97%	0.972	37%	0.366	S	S	*	.	S	Bend	trans	-69.5	3.3	-164.8	-66.8	-170.9	6.9	0	0	115.9	S238	S238-Q240 PolarHBondContact O-N 2.79Å
241	S	61.3	Low	79.3	Confident	56 Å²	56	71 Å²	71	39%	0.392	39%	0.386	S	S	.	.			trans	-106.2	128.3	176.6	46.7	0	0	0	0	110.9	S239 S243 S244	S239-S241 PolarHBondContact O-N 2.85Å; S241-S243 PolarHBondContact O-N 2.89Å; S241-S243 VanDerWaalsContact O-N 3.12Å; S241-S244 WeakPolarHBondContact O-CA 3.23Å; S241-S244 PolarHBondContact O-N 3.11Å; S241-S244 PolarHBondContact O-OG 3.41Å; S241-S244 WeakPolarHBondContact OG-CB 3.06Å; S241-S244 PolarHBondContact OG-OG 2.92Å
242	S	58.3	Low	79.3	Confident	105 Å²	105	71.3 Å²	71.3	73%	0.734	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-59.6	-28.7	177.3	-32.5	0	0	0	0	112.6	S244 L245	S242-S244 PolarHBondContact O-N 3.21Å; S242-L245 PolarHBondContact O-N 3.11Å
243	S	59.7	Low	79.4	Confident	100 Å²	100	71.1 Å²	71.1	70%	0.699	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-69.2	-17.7	173.6	59.2	0	0	0	0	113.5	S241	S241-S243 PolarHBondContact O-N 2.89Å; S241-S243 VanDerWaalsContact O-N 3.12Å
244	S	63.9	Low	79.8	Confident	27 Å²	27	67.8 Å²	67.8	19%	0.189	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-93.3	15.1	177.2	64.4	0	0	0	0	113	P235 S239 S241 S242	P235-S244 WeakPolarHBondContact CB-O 3.39Å; P235-S244 WeakPolarHBondContact CG-O 3.49Å; S239-S244 VanDerWaalsContact CB-OG 3.24Å; S239-S244 WeakPolarHBondContact CB-OG 3.5Å; S239-S244 PolarHBondContact O-OG 3.44Å; S239-S244 WeakPolarHBondContact OG-CB 2.96Å; S239-S244 PolarHBondContact OG-O 2.95Å; S239-S244 PolarHBondContact OG-OG 2.98Å; S241-S244 WeakPolarHBondContact O-CA 3.23Å; S241-S244 PolarHBondContact O-N 3.11Å; S241-S244 PolarHBondContact O-OG 3.41Å; S241-S244 WeakPolarHBondContact OG-CB 3.06Å; S241-S244 PolarHBondContact OG-OG 2.92Å; S242-S244 PolarHBondContact O-N 3.21Å
245	L	70.5	Confident	80.3	Confident	34 Å²	34	70 Å²	70	18%	0.178	39%	0.392	C	S	.	.	S	Bend	trans	-99.3	13.1	173.5	-62.8	179.2	0	0	0	113.1	D237 S242 F273 N277	D237-L245 HydrophobicContact CB-CD2 4.42Å; S242-L245 PolarHBondContact O-N 3.11Å; L245-F273 HydrophobicContact CB-CD1 4.2Å; L245-F273 HydrophobicContact CB-CE1 4.17Å; L245-F273 HydrophobicContact CD1-CD1 3.97Å; L245-F273 HydrophobicContact CD1-CE1 3.75Å; L245-N277 PolarHBondContact O-ND2 3.03Å; L245-N277 VanDerWaalsContact O-ND2 3.14Å
246	I	78.1	Confident	80.8	Confident	78 Å²	78	72.6 Å²	72.6	40%	0.4	40%	0.398	S	S	.	.	S	Bend	trans	-125.9	124.3	-172	-59.2	178.4	0	0	0	108.1
247	A	82.3	Confident	81.5	Confident	2 Å²	2	70 Å²	70	2%	0.017	38%	0.384	C	S	.	.			trans	-60.4	140.5	171	0	0	0	0	0	110.7	I232 R233 L249 T278 R281	I232-A247 HydrophobicContact CG2-CB 4.25Å; R233-A247 WeakPolarHBondContact O-CB 3.43Å; A247-L249 HydrophobicContact CB-CD2 4.27Å; A247-L249 HydrophobicContact CB-CG 4.32Å; A247-L249 PolarHBondContact O-N 3.33Å; A247-L249 VanDerWaalsContact O-N 3.16Å; A247-T278 HydrophobicContact CB-CG2 4.37Å; A247-T278 WeakPolarHBondContact CB-OG1 3.3Å; A247-R281 PolarHBondContact O-NH1 2.95Å
248	E	86.3	Confident	82.2	Confident	189 Å²	189	68.4 Å²	68.4	88%	0.883	38%	0.375	S	S	*	.			trans	-67.5	113.3	169.6	-68.8	-177.9	-175.8	0	0	108.3
249	L	91.2	Very high	83.1	Confident	20 Å²	20	64.1 Å²	64.1	11%	0.105	35%	0.345	C	S	.	.			trans	-123.1	138.5	-177.5	-63.5	179.3	0	0	0	108.7	I232 A247 I254 R281 L282	I232-L249 HydrophobicContact CD1-CD2 3.84Å; I232-L249 HydrophobicContact CG1-CD2 4.33Å; I232-L249 HydrophobicContact CG2-CD2 3.93Å; A247-L249 HydrophobicContact CB-CD2 4.27Å; A247-L249 HydrophobicContact CB-CG 4.32Å; A247-L249 PolarHBondContact O-N 3.33Å; A247-L249 VanDerWaalsContact O-N 3.16Å; L249-I254 HydrophobicContact CB-CD1 3.92Å; L249-I254 HydrophobicContact CD1-CD1 3.85Å; L249-R281 HydrophobicContact CD1-CB 3.83Å; L249-L282 HydrophobicContact CD1-CD2 3.89Å; L249-L282 HydrophobicContact CD1-CG 4.08Å; L249-L282 HydrophobicContact CD2-CD2 4.17Å
250	D	91.9	Very high	84.4	Confident	78 Å²	78	62.3 Å²	62.3	42%	0.417	33%	0.333	S	S	.	.			trans	-62.9	132.1	166.7	177.3	-18.3	0	0	0	109.2	K230 S252 L253	K230-D250 IonicContact NZ-OD2 3.42Å; K230-D250 PolarHBondContact NZ-OD2 3.11Å; D250-S252 PolarHBondContact O-N 2.76Å; D250-S252 VanDerWaalsContact O-N 3.1Å; D250-S252 WeakPolarHBondContact OD1-CB 3.31Å; D250-S252 PolarHBondContact OD1-N 3.33Å; D250-S252 PolarHBondContact OD1-OG 2.97Å; D250-S252 PolarHBondContact OD2-OG 3.44Å; D250-S252 VanDerWaalsContact OD2-OG 3.11Å; D250-L253 HydrophobicContact CB-CD1 4.13Å; D250-L253 HydrophobicContact CB-CG 4.1Å; D250-L253 WeakPolarHBondContact O-CB 3.11Å; D250-L253 PolarHBondContact O-N 2.56Å
251	E	93.5	Very high	86.4	Confident	147 Å²	147	52.4 Å²	52.4	69%	0.687	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-54.8	-29.8	-179.5	-69.6	-60.6	148.1	0	0	112.4	L253 I254	E251-L253 PolarHBondContact O-N 3.36Å; E251-I254 PolarHBondContact O-N 2.88Å
252	S	95.6	Very high	88.1	Confident	59 Å²	59	49.8 Å²	49.8	41%	0.413	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-68.2	-9.3	176.5	68	0	0	0	0	114.7	D250 R256	D250-S252 PolarHBondContact O-N 2.76Å; D250-S252 VanDerWaalsContact O-N 3.1Å; D250-S252 WeakPolarHBondContact OD1-CB 3.31Å; D250-S252 PolarHBondContact OD1-N 3.33Å; D250-S252 PolarHBondContact OD1-OG 2.97Å; D250-S252 PolarHBondContact OD2-OG 3.44Å; D250-S252 VanDerWaalsContact OD2-OG 3.11Å; S252-R256 WeakPolarHBondContact O-CD 3.32Å; S252-R256 PolarHBondContact O-NH1 3.27Å
253	L	97	Very high	89.8	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-99.9	-13.3	177.6	-56.9	-179.1	0	0	0	112.9	L190 K230 D250 E251 H255 R256 F257 L282	L190-L253 HydrophobicContact CD2-CD1 4.06Å; L190-L253 HydrophobicContact CD2-CD2 3.95Å; K230-L253 HydrophobicContact CD-CD1 3.83Å; D250-L253 HydrophobicContact CB-CD1 4.13Å; D250-L253 HydrophobicContact CB-CG 4.1Å; D250-L253 WeakPolarHBondContact O-CB 3.11Å; D250-L253 PolarHBondContact O-N 2.56Å; E251-L253 PolarHBondContact O-N 3.36Å; L253-H255 PolarHBondContact O-N 3.35Å; L253-R256 WeakPolarHBondContact O-CB 3.44Å; L253-R256 PolarHBondContact O-N 3.25Å; L253-F257 HydrophobicContact CB-CE2 4.33Å; L253-F257 HydrophobicContact CD2-CE2 4.23Å; L253-F257 HydrophobicContact CD2-CZ 4.06Å; L253-L282 HydrophobicContact CB-CD2 3.85Å
254	I	97.4	Very high	91.2	Very high	41 Å²	41	41 Å²	41	21%	0.21	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	123.7	-175.6	-58.3	-60.6	0	0	0	109.6	L249 E251 R256 R281	L249-I254 HydrophobicContact CB-CD1 3.92Å; L249-I254 HydrophobicContact CD1-CD1 3.85Å; E251-I254 PolarHBondContact O-N 2.88Å; I254-R256 PolarHBondContact O-N 2.93Å; I254-R281 CarbonylContact C-O 3.5Å; I254-R281 VanDerWaalsContact CA-O 3.27Å; I254-R281 WeakPolarHBondContact CA-O 3.23Å; I254-R281 HydrophobicContact CD1-CB 4.09Å; I254-R281 VanDerWaalsContact CD1-NH2 3.34Å
255	H	97.7	Very high	92.5	Very high	64 Å²	64	40.4 Å²	40.4	30%	0.296	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	34	-178.1	-56.6	-52.7	0	0	0	114.1	L253 N280 R281 L282 L283 S284 L285	L253-H255 PolarHBondContact O-N 3.35Å; H255-N280 PolarHBondContact CE1-O 2.81Å; H255-N280 PolarHBondContact ND1-O 2.79Å; H255-R281 PolarHBondContact N-O 3.44Å; H255-L282 CarbonylContact C-O 3.58Å; H255-L282 WeakPolarHBondContact CA-O 3.33Å; H255-L283 WeakPolarHBondContact CA-O 3.36Å; H255-L283 PolarHBondContact ND1-O 2.87Å; H255-S284 WeakPolarHBondContact O-CA 3.15Å; H255-L285 HydrophobicContact CB-CG 4.05Å
256	R	97.9	Very high	93.5	Very high	87 Å²	87	38.8 Å²	38.8	33%	0.328	19%	0.194	S	C	.	.			trans	-87.2	-30.9	-175.3	177.8	163.5	-176.6	151.9	-2.3	114.1	N159 Y188 S252 L253 I254 L282	N159-R256 HydrophobicContact CB-CG 4.32Å; N159-R256 WeakPolarHBondContact CB-O 3.49Å; N159-R256 PolarHBondContact ND2-O 2.95Å; Y188-R256 VanDerWaalsContact CD1-NE 3.31Å; S252-R256 WeakPolarHBondContact O-CD 3.32Å; S252-R256 PolarHBondContact O-NH1 3.27Å; L253-R256 WeakPolarHBondContact O-CB 3.44Å; L253-R256 PolarHBondContact O-N 3.25Å; I254-R256 PolarHBondContact O-N 2.93Å; R256-L282 PolarHBondContact N-O 3.08Å
257	F	98.5	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-100	125.2	-161.8	-61.4	-77.3	0	0	0	112.2	N159 V160 C161 Y188 L190 L253 I260 L282 S284	N159-F257 HydrophobicContact CB-CD1 3.98Å; V160-F257 WeakPolarHBondContact O-CD1 3.33Å; V160-F257 WeakPolarHBondContact O-CE1 3.43Å; C161-F257 HydrophobicContact CB-CB 4.21Å; C161-F257 HydrophobicContact CB-CD1 3.53Å; C161-F257 HydrophobicContact CB-CD2 3.82Å; C161-F257 HydrophobicContact CB-CE1 3.73Å; C161-F257 HydrophobicContact CB-CE2 4.02Å; C161-F257 HydrophobicContact CB-CG 3.56Å; C161-F257 HydrophobicContact CB-CZ 3.97Å; Y188-F257 AromaticContact CD1-CE1 3.73Å; Y188-F257 HydrophobicContact CD1-CE1 3.73Å; Y188-F257 HydrophobicContact CD1-CZ 4.34Å; Y188-F257 AromaticContact CE1-CE1 3.54Å; Y188-F257 HydrophobicContact CE1-CE1 3.54Å; Y188-F257 AromaticContact CE1-CZ 3.72Å; Y188-F257 HydrophobicContact CE1-CZ 3.72Å; L190-F257 HydrophobicContact CB-CE1 3.7Å; L190-F257 HydrophobicContact CB-CZ 3.62Å; L190-F257 HydrophobicContact CD2-CE1 4.43Å; L190-F257 HydrophobicContact CD2-CE2 4.06Å; L190-F257 HydrophobicContact CD2-CZ 3.51Å; L190-F257 HydrophobicContact CG-CZ 4.19Å; L253-F257 HydrophobicContact CB-CE2 4.33Å; L253-F257 HydrophobicContact CD2-CE2 4.23Å; L253-F257 HydrophobicContact CD2-CZ 4.06Å; F257-I260 HydrophobicContact CB-CD1 4.42Å; F257-I260 HydrophobicContact CB-CG1 3.85Å; F257-L282 HydrophobicContact CD2-CB 4.07Å; F257-L282 HydrophobicContact CD2-CD2 4.31Å; F257-L282 HydrophobicContact CE2-CD2 4.04Å; F257-L282 PolarHBondContact N-O 2.71Å; F257-L282 VanDerWaalsContact N-O 3.09Å; F257-S284 WeakPolarHBondContact O-CB 3.5Å; F257-S284 PolarHBondContact O-N 3.49Å
258	D	98.2	Very high	94	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.053	20%	0.201	C	C	.	.	S	Bend	trans	-72.7	-39.6	175.6	-47.7	-53.9	0	0	0	109.7	F152 I157 E158 N159 S289 T290	F152-D258 HydrophobicContact CE1-CB 4.04Å; F152-D258 WeakPolarHBondContact CZ-O 3.45Å; I157-D258 HydrophobicContact CG2-CB 4.37Å; E158-D258 PolarHBondContact N-OD2 3.3Å; N159-D258 PolarHBondContact N-OD2 2.93Å; N159-D258 PolarHBondContact O-N 2.88Å; D258-S289 CarbonylContact O-C 3.55Å; D258-S289 VanDerWaalsContact O-CA 3.25Å; D258-S289 WeakPolarHBondContact O-CA 3.28Å; D258-T290 PolarHBondContact O-N 2.87Å
259	L	98.5	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.5	177.4	179.6	62.4	0	0	0	110.6	L148 F152 I157 N159 V160 C161 F184 M261 T290 L292	L148-L259 HydrophobicContact CD2-CD1 4.05Å; L148-L259 HydrophobicContact CD2-CD2 4.39Å; F152-L259 HydrophobicContact CZ-CB 4.42Å; I157-L259 HydrophobicContact CD1-CD2 4.2Å; I157-L259 HydrophobicContact CG2-CB 3.8Å; I157-L259 HydrophobicContact CG2-CD2 4.38Å; N159-L259 PolarHBondContact O-N 3.1Å; V160-L259 CarbonylContact C-O 3.58Å; V160-L259 VanDerWaalsContact CA-O 3.29Å; V160-L259 WeakPolarHBondContact CA-O 3.4Å; V160-L259 HydrophobicContact CG1-CG 4.49Å; V160-L259 HydrophobicContact CG2-CB 4.3Å; C161-L259 PolarHBondContact N-O 3.28Å; F184-L259 HydrophobicContact CE1-CD2 4Å; F184-L259 HydrophobicContact CZ-CD2 4.08Å; L259-M261 HydrophobicContact CD1-CG 4.17Å; L259-M261 HydrophobicContact CD1-SD 4.47Å; L259-M261 HydrophobicContact CD2-CG 4.27Å; L259-M261 HydrophobicContact CD2-SD 3.59Å; L259-M261 VanDerWaalsContact CD2-SD 3.59Å; L259-M261 HydrophobicContact CG-CG 4Å; L259-M261 HydrophobicContact CG-SD 3.98Å; L259-T290 VanDerWaalsContact CA-O 3.32Å; L259-T290 WeakPolarHBondContact CA-O 3.41Å; L259-T290 WeakPolarHBondContact CD1-O 3.3Å; L259-L292 HydrophobicContact CD1-CB 4.06Å
260	I	98.6	Very high	94.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.8	167.7	-57.3	179.8	0	0	0	108.5	C161 L163 F257 L282 L283 T290 F291 L292	C161-I260 HydrophobicContact CB-CG1 4.22Å; C161-I260 HydrophobicContact CB-CG2 4.45Å; C161-I260 CarbonylContact O-C 3.48Å; C161-I260 VanDerWaalsContact O-CA 3.29Å; C161-I260 WeakPolarHBondContact O-CA 3.34Å; L163-I260 HydrophobicContact CD1-CG2 3.67Å; L163-I260 HydrophobicContact CG-CG2 3.76Å; F257-I260 HydrophobicContact CB-CD1 4.42Å; F257-I260 HydrophobicContact CB-CG1 3.85Å; I260-L282 HydrophobicContact CD1-CB 3.51Å; I260-L283 HydrophobicContact CB-CD1 4.44Å; I260-L283 HydrophobicContact CD1-CB 3.83Å; I260-L283 HydrophobicContact CD1-CD1 3.94Å; I260-L283 HydrophobicContact CG1-CD1 3.83Å; I260-T290 PolarHBondContact N-O 3.29Å; I260-F291 HydrophobicContact CB-CD2 3.91Å; I260-F291 HydrophobicContact CG2-CD2 3.67Å; I260-F291 HydrophobicContact CG2-CE2 4.13Å; I260-F291 CarbonylContact O-C 3.47Å; I260-F291 WeakPolarHBondContact O-CA 3.33Å; I260-L292 PolarHBondContact O-N 2.71Å
261	M	98.1	Very high	94.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.9	-179.5	-77.4	169.6	69.9	0	0	111.9	L131 M135 C161 E162 L163 A171 I175 L259 L292	L131-M261 HydrophobicContact CD1-CE 3.47Å; L131-M261 VanDerWaalsContact CD1-CE 3.47Å; L131-M261 HydrophobicContact CD2-CB 4.06Å; L131-M261 HydrophobicContact CD2-CE 3.53Å; L131-M261 HydrophobicContact CD2-CG 4.42Å; L131-M261 HydrophobicContact CG-CE 3.25Å; M135-M261 HydrophobicContact CE-CE 4.09Å; C161-M261 PolarHBondContact O-N 3.16Å; E162-M261 CarbonylContact C-O 3.55Å; E162-M261 WeakPolarHBondContact CA-O 3.43Å; L163-M261 PolarHBondContact N-O 3.48Å; A171-M261 HydrophobicContact CB-CE 4.26Å; I175-M261 HydrophobicContact CD1-CE 3.71Å; I175-M261 HydrophobicContact CD1-SD 3.17Å; I175-M261 WeakPolarHBondContact CD1-SD 3.27Å; I175-M261 HydrophobicContact CG1-SD 4.32Å; L259-M261 HydrophobicContact CD1-CG 4.17Å; L259-M261 HydrophobicContact CD1-SD 4.47Å; L259-M261 HydrophobicContact CD2-CG 4.27Å; L259-M261 HydrophobicContact CD2-SD 3.59Å; L259-M261 VanDerWaalsContact CD2-SD 3.59Å; L259-M261 HydrophobicContact CG-CG 4Å; L259-M261 HydrophobicContact CG-SD 3.98Å; M261-L292 VanDerWaalsContact CA-O 3.23Å; M261-L292 WeakPolarHBondContact CA-O 3.06Å; M261-L292 HydrophobicContact CG-CB 4.29Å
262	A	97.1	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.8	173.6	0	0	0	0	0	110.9	L163 F291 L292 A293 I294	L163-A262 HydrophobicContact CB-CB 4.27Å; A262-F291 HydrophobicContact CB-CE2 3.93Å; A262-F291 HydrophobicContact CB-CZ 4.03Å; A262-L292 PolarHBondContact N-O 3.3Å; A262-L292 VanDerWaalsContact N-O 3.12Å; A262-A293 HydrophobicContact CB-CB 4.07Å; A262-A293 WeakPolarHBondContact O-CA 3.5Å; A262-A293 VanDerWaalsContact O-CB 3.22Å; A262-A293 WeakPolarHBondContact O-CB 3.23Å; A262-I294 PolarHBondContact O-N 2.77Å
263	A	94	Very high	94	Very high	12 Å²	12	29.7 Å²	29.7	10%	0.099	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	130.4	175.5	0	0	0	0	0	111.3	E128 C265 I294	E128-A263 VanDerWaalsContact CA-CB 3.41Å; E128-A263 HydrophobicContact CB-CB 3.78Å; E128-A263 HydrophobicContact CG-CB 4.45Å; A263-C265 VanDerWaalsContact C-N 3.28Å; A263-C265 PolarHBondContact O-N 3.05Å; A263-C265 VanDerWaalsContact O-N 3.11Å; A263-I294 WeakPolarHBondContact CA-O 3.19Å
264	D	89.8	Confident	93.9	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.048	14%	0.143	C	C	.	.	S	Bend	trans	51.1	37.5	168.1	-158.1	10.2	0	0	0	116.2	F267 I294 P296 R298	D264-F267 VanDerWaalsContact O-CD1 3.32Å; D264-F267 WeakPolarHBondContact O-CD1 3.45Å; D264-F267 VanDerWaalsContact O-CE1 3.26Å; D264-F267 WeakPolarHBondContact O-CE1 3.28Å; D264-I294 PolarHBondContact N-O 3.36Å; D264-P296 WeakPolarHBondContact OD1-CD 3.36Å; D264-P296 WeakPolarHBondContact OD1-CG 3.2Å; D264-R298 IonicContact OD1-CZ 4Å; D264-R298 VanDerWaalsContact OD1-CZ 3.27Å; D264-R298 IonicContact OD1-NE 3.78Å; D264-R298 PolarHBondContact OD1-NE 2.85Å; D264-R298 IonicContact OD1-NH2 2.98Å; D264-R298 PolarHBondContact OD1-NH2 3.13Å; D264-R298 IonicContact OD2-CZ 2.77Å; D264-R298 IonicContact OD2-NE 2.9Å; D264-R298 IonicContact OD2-NH2 3.43Å; D264-R298 PolarHBondContact OD2-NH2 3.39Å
265	C	90.8	Very high	93.7	Very high	14 Å²	14	27.7 Å²	27.7	10%	0.095	13%	0.134	C	C	.	.			trans	-109.2	7.7	-171.3	61	0	0	0	0	114.7	C164 A263 M275	C164-C265 HydrophobicContact CB-CB 3.73Å; A263-C265 VanDerWaalsContact C-N 3.28Å; A263-C265 PolarHBondContact O-N 3.05Å; A263-C265 VanDerWaalsContact O-N 3.11Å; C265-M275 WeakPolarHBondContact SG-CE 3.34Å
266	F	91.1	Very high	93.6	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.119	C	C	.	.			trans	-98.4	15.3	-172.5	-47.2	-72.7	0	0	0	114.7	H272 M275 F291 A293 S295 S301 L302 F305 I359	F266-H272 PolarHBondContact O-NE2 3.05Å; F266-M275 HydrophobicContact CD1-CE 4.05Å; F266-M275 HydrophobicContact CD1-SD 3.71Å; F266-M275 HydrophobicContact CE1-CE 3.46Å; F266-M275 VanDerWaalsContact CE1-CE 3.46Å; F266-M275 HydrophobicContact CE1-SD 3.68Å; F266-M275 HydrophobicContact CZ-CE 4.26Å; F266-F291 HydrophobicContact CE1-CZ 4.19Å; F266-F291 HydrophobicContact CZ-CE1 4.12Å; F266-F291 AromaticContact CZ-CZ 3.88Å; F266-F291 HydrophobicContact CZ-CZ 3.88Å; F266-A293 HydrophobicContact CE2-CB 3.9Å; F266-A293 HydrophobicContact CZ-CB 3.7Å; F266-S295 VanDerWaalsContact CD2-CB 3.48Å; F266-S301 WeakPolarHBondContact O-CB 3.23Å; F266-S301 PolarHBondContact O-OG 3.49Å; F266-L302 HydrophobicContact CB-CD1 4.26Å; F266-L302 HydrophobicContact CD2-CD1 3.63Å; F266-L302 HydrophobicContact CE2-CD1 4.13Å; F266-L302 HydrophobicContact CG-CD1 4.01Å; F266-F305 AromaticContact CD1-CD1 3.5Å; F266-F305 HydrophobicContact CD1-CD1 3.5Å; F266-F305 AromaticContact CD1-CD2 3.96Å; F266-F305 HydrophobicContact CD1-CD2 3.96Å; F266-F305 AromaticContact CD1-CE1 3.51Å; F266-F305 HydrophobicContact CD1-CE1 3.51Å; F266-F305 AromaticContact CD1-CE2 3.98Å; F266-F305 HydrophobicContact CD1-CE2 3.98Å; F266-F305 AromaticContact CD1-CG 3.73Å; F266-F305 HydrophobicContact CD1-CG 3.73Å; F266-F305 AromaticContact CD1-CZ 3.76Å; F266-F305 HydrophobicContact CD1-CZ 3.76Å; F266-F305 AromaticContact CE1-CD1 3.64Å; F266-F305 HydrophobicContact CE1-CD1 3.64Å; F266-F305 HydrophobicContact CE1-CD2 4.5Å; F266-F305 AromaticContact CE1-CE1 3.17Å; F266-F305 HydrophobicContact CE1-CE1 3.17Å; F266-F305 HydrophobicContact CE1-CE2 4.13Å; F266-F305 HydrophobicContact CE1-CG 4.28Å; F266-F305 AromaticContact CE1-CZ 3.46Å; F266-F305 HydrophobicContact CE1-CZ 3.46Å; F266-F305 VanDerWaalsContact CE1-CZ 3.46Å; F266-F305 HydrophobicContact CG-CD1 4.17Å; F266-F305 HydrophobicContact CG-CG 4.36Å; F266-F305 HydrophobicContact CZ-CD1 4.4Å; F266-F305 AromaticContact CZ-CE1 3.97Å; F266-F305 HydrophobicContact CZ-CE1 3.97Å; F266-I359 HydrophobicContact CE2-CD1 3.97Å; F266-I359 HydrophobicContact CE2-CG1 4.47Å
267	F	85.4	Confident	93.5	Very high	48 Å²	48	21.7 Å²	21.7	21%	0.211	11%	0.11	C	C	.	.			trans	-79.5	-27.3	-173.6	53	-93.9	0	0	0	114	D117 D264	D117-F267 VanDerWaalsContact OD2-CE2 3.28Å; D117-F267 WeakPolarHBondContact OD2-CE2 3.2Å; D117-F267 WeakPolarHBondContact OD2-CZ 3.18Å; D264-F267 VanDerWaalsContact O-CD1 3.32Å; D264-F267 WeakPolarHBondContact O-CD1 3.45Å; D264-F267 VanDerWaalsContact O-CE1 3.26Å; D264-F267 WeakPolarHBondContact O-CE1 3.28Å
268	D	86.2	Confident	93.4	Very high	65 Å²	65	21.7 Å²	21.7	35%	0.348	11%	0.11	S	C	.	.			trans	-95.2	109.2	175.8	-163.5	-23.6	0	0	0	110.4	S270 Y271 H272	D268-S270 PolarHBondContact O-N 3.14Å; D268-S270 VanDerWaalsContact OD1-CB 3.28Å; D268-S270 WeakPolarHBondContact OD1-CB 3.26Å; D268-S270 PolarHBondContact OD1-N 2.87Å; D268-S270 PolarHBondContact OD1-OG 2.97Å; D268-Y271 HydrophobicContact CB-CD2 3.89Å; D268-Y271 HydrophobicContact CB-CE2 4.25Å; D268-Y271 WeakPolarHBondContact OD2-CE2 3.25Å; D268-H272 PolarHBondContact O-CD2 3.09Å; D268-H272 VanDerWaalsContact O-CD2 3.23Å; D268-H272 PolarHBondContact O-NE2 2.76Å
269	Q	90.5	Very high	93.3	Very high	98 Å²	98	21.2 Å²	21.2	46%	0.458	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-74.9	-12.4	-176.1	-64.6	177.6	70	0	0	112.9	Y271 H272 N304	Q269-Y271 PolarHBondContact O-N 2.79Å; Q269-H272 VanDerWaalsContact CG-CE1 3.49Å; Q269-H272 WeakPolarHBondContact CG-CE1 3.48Å; Q269-N304 PolarHBondContact OE1-ND2 3.45Å
270	S	88.8	Confident	93.3	Very high	48 Å²	48	22.6 Å²	22.6	34%	0.336	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-72.2	-5.8	179.1	-39.1	0	0	0	0	112.9	D237 D268	D237-S270 VanDerWaalsContact CB-O 3.28Å; D237-S270 WeakPolarHBondContact CB-O 3.23Å; D237-S270 VanDerWaalsContact CG-O 3.23Å; D237-S270 PolarHBondContact N-O 3.46Å; D268-S270 PolarHBondContact O-N 3.14Å; D268-S270 VanDerWaalsContact OD1-CB 3.28Å; D268-S270 WeakPolarHBondContact OD1-CB 3.26Å; D268-S270 PolarHBondContact OD1-N 2.87Å; D268-S270 PolarHBondContact OD1-OG 2.97Å
271	Y	90.6	Very high	93.2	Very high	51 Å²	51	25.3 Å²	25.3	20%	0.2	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-126.9	8.6	-178	-54.4	-76.8	0	0	0	113.1	F116 W234 P235 D236 D268 Q269 F273 S274 M275	F116-Y271 HydrophobicContact CE2-CE1 4.41Å; W234-Y271 HydrophobicContact CB-CD1 4.49Å; P235-Y271 WeakPolarHBondContact O-CD1 3.41Å; D236-Y271 HydrophobicContact CB-CE1 4.02Å; D268-Y271 HydrophobicContact CB-CD2 3.89Å; D268-Y271 HydrophobicContact CB-CE2 4.25Å; D268-Y271 WeakPolarHBondContact OD2-CE2 3.25Å; Q269-Y271 PolarHBondContact O-N 2.79Å; Y271-F273 PolarHBondContact O-N 3.21Å; Y271-S274 WeakPolarHBondContact CA-OG 3.29Å; Y271-S274 PolarHBondContact O-OG 2.95Å; Y271-S274 VanDerWaalsContact O-OG 3.13Å; Y271-M275 WeakPolarHBondContact O-CB 3.4Å; Y271-M275 PolarHBondContact O-N 3.09Å
272	H	94.3	Very high	93.2	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.046	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-42.4	-173.7	-79.7	-173.8	0	0	0	112.3	D237 F266 D268 Q269 L276 S301 F305 L308	D237-H272 PolarHBondContact OD2-N 3.37Å; F266-H272 PolarHBondContact O-NE2 3.05Å; D268-H272 PolarHBondContact O-CD2 3.09Å; D268-H272 VanDerWaalsContact O-CD2 3.23Å; D268-H272 PolarHBondContact O-NE2 2.76Å; Q269-H272 VanDerWaalsContact CG-CE1 3.49Å; Q269-H272 WeakPolarHBondContact CG-CE1 3.48Å; H272-L276 WeakPolarHBondContact O-CG 3.36Å; H272-L276 PolarHBondContact O-N 2.76Å; H272-L276 VanDerWaalsContact O-N 3.11Å; H272-S301 PolarHBondContact CE1-O 2.99Å; H272-F305 HydrophobicContact CB-CD2 3.91Å; H272-F305 AromaticContact CD2-CD2 3.87Å; H272-F305 AromaticContact CG-CD2 3.75Å; H272-L308 HydrophobicContact CB-CD2 4.07Å
273	F	93.8	Very high	93.2	Very high	62 Å²	62	25.3 Å²	25.3	27%	0.272	13%	0.125	S	C	.	.	H	α-helix	trans	-72.2	-46.1	-179.3	-174.6	-92.5	0	0	0	111.2	D237 L245 Y271 M275 L276 N277 L308 M312	D237-F273 WeakPolarHBondContact OD2-CB 3.12Å; D237-F273 PolarHBondContact OD2-N 2.78Å; L245-F273 HydrophobicContact CB-CD1 4.2Å; L245-F273 HydrophobicContact CB-CE1 4.17Å; L245-F273 HydrophobicContact CD1-CD1 3.97Å; L245-F273 HydrophobicContact CD1-CE1 3.75Å; Y271-F273 PolarHBondContact O-N 3.21Å; F273-M275 VanDerWaalsContact C-N 3.29Å; F273-M275 PolarHBondContact O-N 3.48Å; F273-L276 PolarHBondContact O-N 2.75Å; F273-N277 VanDerWaalsContact CD1-ND2 3.3Å; F273-N277 WeakPolarHBondContact CD1-ND2 3.17Å; F273-N277 WeakPolarHBondContact CE1-ND2 3.4Å; F273-N277 PolarHBondContact O-N 2.87Å; F273-N277 PolarHBondContact O-ND2 3.37Å; F273-L308 HydrophobicContact CB-CD2 3.93Å; F273-L308 HydrophobicContact CD2-CD1 4.31Å; F273-L308 HydrophobicContact CD2-CD2 4.17Å; F273-M312 HydrophobicContact CD2-CE 4.04Å; F273-M312 HydrophobicContact CE2-CE 3.43Å; F273-M312 VanDerWaalsContact CE2-CE 3.43Å; F273-M312 HydrophobicContact CZ-CE 4.43Å
274	S	93.6	Very high	93.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-33.7	175.9	63.3	0	0	0	0	113.1	W234 P235 D237 Y271 T278	W234-S274 WeakPolarHBondContact CB-OG 3.2Å; P235-S274 VanDerWaalsContact O-CB 3.23Å; P235-S274 WeakPolarHBondContact O-CB 3.46Å; P235-S274 PolarHBondContact O-OG 3.44Å; D237-S274 WeakPolarHBondContact OD1-CB 3.38Å; D237-S274 PolarHBondContact OD1-N 3.16Å; D237-S274 PolarHBondContact OD1-OG 2.63Å; Y271-S274 WeakPolarHBondContact CA-OG 3.29Å; Y271-S274 PolarHBondContact O-OG 2.95Å; Y271-S274 VanDerWaalsContact O-OG 3.13Å; S274-T278 WeakPolarHBondContact O-CB 3.47Å; S274-T278 PolarHBondContact O-N 3.3Å; S274-T278 PolarHBondContact O-OG1 3.45Å
275	M	94.5	Very high	93.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-46.9	171.5	-174.6	-176.4	-175	0	0	111.7	W234 C265 F266 Y271 F273 N277 T278 I279 F291 F305	W234-M275 HydrophobicContact CD2-CB 4.12Å; W234-M275 HydrophobicContact CD2-CG 4.34Å; W234-M275 HydrophobicContact CE3-CB 3.91Å; W234-M275 HydrophobicContact CE3-CG 4.18Å; W234-M275 HydrophobicContact CH2-CB 4.24Å; W234-M275 HydrophobicContact CH2-CE 3.64Å; W234-M275 HydrophobicContact CH2-CG 3.6Å; W234-M275 HydrophobicContact CH2-SD 3.53Å; W234-M275 VanDerWaalsContact CH2-SD 3.53Å; W234-M275 HydrophobicContact CZ2-CB 4.48Å; W234-M275 HydrophobicContact CZ2-CE 4.11Å; W234-M275 HydrophobicContact CZ2-CG 3.81Å; W234-M275 HydrophobicContact CZ2-SD 4.28Å; W234-M275 HydrophobicContact CZ3-CB 3.97Å; W234-M275 HydrophobicContact CZ3-CE 4.46Å; W234-M275 HydrophobicContact CZ3-CG 3.81Å; W234-M275 HydrophobicContact CZ3-SD 3.76Å; C265-M275 WeakPolarHBondContact SG-CE 3.34Å; F266-M275 HydrophobicContact CD1-CE 4.05Å; F266-M275 HydrophobicContact CD1-SD 3.71Å; F266-M275 HydrophobicContact CE1-CE 3.46Å; F266-M275 VanDerWaalsContact CE1-CE 3.46Å; F266-M275 HydrophobicContact CE1-SD 3.68Å; F266-M275 HydrophobicContact CZ-CE 4.26Å; Y271-M275 WeakPolarHBondContact O-CB 3.4Å; Y271-M275 PolarHBondContact O-N 3.09Å; F273-M275 VanDerWaalsContact C-N 3.29Å; F273-M275 PolarHBondContact O-N 3.48Å; M275-N277 VanDerWaalsContact C-N 3.35Å; M275-N277 PolarHBondContact O-N 2.84Å; M275-T278 WeakPolarHBondContact O-CB 3.44Å; M275-T278 PolarHBondContact O-N 3.15Å; M275-T278 VanDerWaalsContact O-N 3.11Å; M275-I279 HydrophobicContact CE-CD1 4.22Å; M275-I279 HydrophobicContact CG-CD1 4.16Å; M275-I279 WeakPolarHBondContact O-CG1 3.42Å; M275-I279 PolarHBondContact O-N 2.9Å; M275-F291 HydrophobicContact CE-CZ 4.24Å; M275-F305 HydrophobicContact CB-CE2 4.28Å; M275-F305 HydrophobicContact CG-CE2 4.23Å; M275-F305 HydrophobicContact CG-CZ 4.47Å; M275-F305 HydrophobicContact SD-CE2 3.85Å; M275-F305 HydrophobicContact SD-CZ 4.01Å
276	L	96.1	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176.5	-72.4	174	0	0	0	112.2	H272 F273 T278 I279 N280 F305 L308 A309 Y316 W318 F361	H272-L276 WeakPolarHBondContact O-CG 3.36Å; H272-L276 PolarHBondContact O-N 2.76Å; H272-L276 VanDerWaalsContact O-N 3.11Å; F273-L276 PolarHBondContact O-N 2.75Å; L276-T278 VanDerWaalsContact C-N 3.28Å; L276-T278 PolarHBondContact O-N 2.89Å; L276-I279 PolarHBondContact O-N 2.88Å; L276-N280 WeakPolarHBondContact O-CB 3.33Å; L276-N280 PolarHBondContact O-N 3.34Å; L276-F305 HydrophobicContact CD1-CE2 4.48Å; L276-F305 HydrophobicContact CD2-CE1 4.19Å; L276-F305 HydrophobicContact CD2-CE2 3.71Å; L276-F305 HydrophobicContact CD2-CZ 3.47Å; L276-F305 VanDerWaalsContact CD2-CZ 3.47Å; L276-F305 HydrophobicContact CG-CD2 4.43Å; L276-F305 HydrophobicContact CG-CE2 3.68Å; L276-F305 HydrophobicContact CG-CZ 4Å; L276-L308 HydrophobicContact CD1-CB 3.9Å; L276-L308 HydrophobicContact CD1-CD2 3.62Å; L276-L308 HydrophobicContact CD1-CG 3.49Å; L276-L308 VanDerWaalsContact CD1-CG 3.49Å; L276-A309 HydrophobicContact CD1-CB 4.37Å; L276-A309 HydrophobicContact CD2-CB 3.9Å; L276-Y316 HydrophobicContact CB-CE2 4.27Å; L276-W318 HydrophobicContact CD2-CZ3 4.16Å; L276-F361 HydrophobicContact CD2-CD2 4.48Å; L276-F361 HydrophobicContact CD2-CE2 3.66Å; L276-F361 HydrophobicContact CD2-CZ 4.26Å
277	N	95	Very high	94.3	Very high	25 Å²	25	35.6 Å²	35.6	13%	0.134	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-42.6	173.2	-79.3	-36.4	0	0	0	111.6	L245 F273 M275 N280 R281 Y316	L245-N277 PolarHBondContact O-ND2 3.03Å; L245-N277 VanDerWaalsContact O-ND2 3.14Å; F273-N277 VanDerWaalsContact CD1-ND2 3.3Å; F273-N277 WeakPolarHBondContact CD1-ND2 3.17Å; F273-N277 WeakPolarHBondContact CE1-ND2 3.4Å; F273-N277 PolarHBondContact O-N 2.87Å; F273-N277 PolarHBondContact O-ND2 3.37Å; M275-N277 VanDerWaalsContact C-N 3.35Å; M275-N277 PolarHBondContact O-N 2.84Å; N277-N280 PolarHBondContact O-N 2.99Å; N277-R281 WeakPolarHBondContact O-CB 3.39Å; N277-R281 WeakPolarHBondContact O-CG 3.48Å; N277-R281 PolarHBondContact O-N 3.43Å; N277-Y316 PolarHBondContact OD1-OH 2.97Å
278	T	95.8	Very high	94.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-45.8	178.9	-58.9	0	0	0	0	111.1	I232 A247 S274 M275 L276 N280 R281 L282	I232-T278 HydrophobicContact CG2-CG2 4.23Å; A247-T278 HydrophobicContact CB-CG2 4.37Å; A247-T278 WeakPolarHBondContact CB-OG1 3.3Å; S274-T278 WeakPolarHBondContact O-CB 3.47Å; S274-T278 PolarHBondContact O-N 3.3Å; S274-T278 PolarHBondContact O-OG1 3.45Å; M275-T278 WeakPolarHBondContact O-CB 3.44Å; M275-T278 PolarHBondContact O-N 3.15Å; M275-T278 VanDerWaalsContact O-N 3.11Å; L276-T278 VanDerWaalsContact C-N 3.28Å; L276-T278 PolarHBondContact O-N 2.89Å; T278-N280 PolarHBondContact O-N 2.97Å; T278-R281 PolarHBondContact O-N 3.41Å; T278-L282 HydrophobicContact CG2-CD1 3.73Å; T278-L282 HydrophobicContact CG2-CG 4.3Å; T278-L282 WeakPolarHBondContact O-CB 3.44Å; T278-L282 VanDerWaalsContact O-CG 3.31Å; T278-L282 WeakPolarHBondContact O-CG 3.49Å; T278-L282 PolarHBondContact O-N 3.48Å
279	I	97.5	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-48.7	174.2	-64.8	163.5	0	0	0	110.1	L163 M275 L276 R281 L282 L283 F291 F305 W318 F361	L163-I279 HydrophobicContact CD1-CG1 3.93Å; M275-I279 HydrophobicContact CE-CD1 4.22Å; M275-I279 HydrophobicContact CG-CD1 4.16Å; M275-I279 WeakPolarHBondContact O-CG1 3.42Å; M275-I279 PolarHBondContact O-N 2.9Å; L276-I279 PolarHBondContact O-N 2.88Å; I279-R281 VanDerWaalsContact C-N 3.32Å; I279-R281 PolarHBondContact O-N 3.42Å; I279-L282 PolarHBondContact O-N 3.06Å; I279-L283 WeakPolarHBondContact O-CB 3.44Å; I279-L283 PolarHBondContact O-N 3.19Å; I279-F291 HydrophobicContact CD1-CD1 4.19Å; I279-F291 HydrophobicContact CD1-CD2 3.84Å; I279-F291 HydrophobicContact CD1-CE1 3.99Å; I279-F291 HydrophobicContact CD1-CE2 3.64Å; I279-F291 HydrophobicContact CD1-CG 4.11Å; I279-F291 HydrophobicContact CD1-CZ 3.7Å; I279-F291 HydrophobicContact CG1-CD2 3.91Å; I279-F291 HydrophobicContact CG1-CE2 3.96Å; I279-F291 HydrophobicContact CG1-CG 4.45Å; I279-F291 HydrophobicContact CG2-CB 3.73Å; I279-F291 HydrophobicContact CG2-CD2 3.92Å; I279-F291 HydrophobicContact CG2-CG 3.85Å; I279-F305 HydrophobicContact CD1-CZ 4.12Å; I279-W318 HydrophobicContact CB-CH2 4.03Å; I279-W318 HydrophobicContact CB-CZ2 4.5Å; I279-W318 HydrophobicContact CG2-CH2 3.7Å; I279-W318 HydrophobicContact CG2-CZ2 3.83Å; I279-F361 HydrophobicContact CD1-CE2 4.28Å
280	N	97.2	Very high	95.8	Very high	29 Å²	29	25.9 Å²	25.9	16%	0.155	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-38.6	179	178.3	61.8	0	0	0	113.3	H255 L276 N277 T278 Y316 W318 R363	H255-N280 PolarHBondContact CE1-O 2.81Å; H255-N280 PolarHBondContact ND1-O 2.79Å; L276-N280 WeakPolarHBondContact O-CB 3.33Å; L276-N280 PolarHBondContact O-N 3.34Å; N277-N280 PolarHBondContact O-N 2.99Å; T278-N280 PolarHBondContact O-N 2.97Å; N280-Y316 HydrophobicContact CB-CD1 3.99Å; N280-Y316 HydrophobicContact CB-CD2 4.15Å; N280-Y316 HydrophobicContact CB-CE1 4.16Å; N280-Y316 HydrophobicContact CB-CE2 4.32Å; N280-Y316 HydrophobicContact CB-CG 4Å; N280-Y316 WeakPolarHBondContact ND2-CD1 3.3Å; N280-W318 VanDerWaalsContact CA-CZ2 3.47Å; N280-W318 HydrophobicContact CB-CH2 3.76Å; N280-W318 HydrophobicContact CB-CZ2 3.65Å; N280-R363 PolarHBondContact O-NH2 3.17Å; N280-R363 VanDerWaalsContact OD1-CZ 3.29Å; N280-R363 PolarHBondContact OD1-NH1 2.81Å; N280-R363 PolarHBondContact OD1-NH2 2.71Å
281	R	96.6	Very high	96.2	Very high	57 Å²	57	23.6 Å²	23.6	22%	0.215	12%	0.119	C	C	.	.	H	α-helix	trans	-75.7	-28.3	179.3	-73.6	-176.4	73.9	-147.4	5.6	113.4	A247 L249 I254 H255 N277 T278 I279	A247-R281 PolarHBondContact O-NH1 2.95Å; L249-R281 HydrophobicContact CD1-CB 3.83Å; I254-R281 CarbonylContact C-O 3.5Å; I254-R281 VanDerWaalsContact CA-O 3.27Å; I254-R281 WeakPolarHBondContact CA-O 3.23Å; I254-R281 HydrophobicContact CD1-CB 4.09Å; I254-R281 VanDerWaalsContact CD1-NH2 3.34Å; H255-R281 PolarHBondContact N-O 3.44Å; N277-R281 WeakPolarHBondContact O-CB 3.39Å; N277-R281 WeakPolarHBondContact O-CG 3.48Å; N277-R281 PolarHBondContact O-N 3.43Å; T278-R281 PolarHBondContact O-N 3.41Å; I279-R281 VanDerWaalsContact C-N 3.32Å; I279-R281 PolarHBondContact O-N 3.42Å
282	L	98	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-87.1	-37.2	179.4	-69.4	175.8	0	0	0	112.3	L163 I232 L249 L253 H255 R256 F257 I260 T278 I279 S284	L163-L282 HydrophobicContact CD2-CD1 3.84Å; I232-L282 HydrophobicContact CD1-CD1 4.39Å; L249-L282 HydrophobicContact CD1-CD2 3.89Å; L249-L282 HydrophobicContact CD1-CG 4.08Å; L249-L282 HydrophobicContact CD2-CD2 4.17Å; L253-L282 HydrophobicContact CB-CD2 3.85Å; H255-L282 CarbonylContact C-O 3.58Å; H255-L282 WeakPolarHBondContact CA-O 3.33Å; R256-L282 PolarHBondContact N-O 3.08Å; F257-L282 HydrophobicContact CD2-CB 4.07Å; F257-L282 HydrophobicContact CD2-CD2 4.31Å; F257-L282 HydrophobicContact CE2-CD2 4.04Å; F257-L282 PolarHBondContact N-O 2.71Å; F257-L282 VanDerWaalsContact N-O 3.09Å; I260-L282 HydrophobicContact CD1-CB 3.51Å; T278-L282 HydrophobicContact CG2-CD1 3.73Å; T278-L282 HydrophobicContact CG2-CG 4.3Å; T278-L282 WeakPolarHBondContact O-CB 3.44Å; T278-L282 VanDerWaalsContact O-CG 3.31Å; T278-L282 WeakPolarHBondContact O-CG 3.49Å; T278-L282 PolarHBondContact O-N 3.48Å; I279-L282 PolarHBondContact O-N 3.06Å; L282-S284 PolarHBondContact O-N 3.42Å
283	L	98.3	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-70	131.9	-173.8	-166.1	70.7	0	0	0	110.2	H255 I260 I279 W318 R363	H255-L283 WeakPolarHBondContact CA-O 3.36Å; H255-L283 PolarHBondContact ND1-O 2.87Å; I260-L283 HydrophobicContact CB-CD1 4.44Å; I260-L283 HydrophobicContact CD1-CB 3.83Å; I260-L283 HydrophobicContact CD1-CD1 3.94Å; I260-L283 HydrophobicContact CG1-CD1 3.83Å; I279-L283 WeakPolarHBondContact O-CB 3.44Å; I279-L283 PolarHBondContact O-N 3.19Å; L283-W318 HydrophobicContact CD2-CZ2 4.44Å; L283-R363 HydrophobicContact CD2-CG 3.93Å; L283-R363 HydrophobicContact CG-CG 4.44Å
284	S	98	Very high	96.9	Very high	15 Å²	15	17.8 Å²	17.8	11%	0.105	9%	0.094	C	C	.	.			trans	-51.6	150.7	176.7	171.1	0	0	0	0	111.3	H255 F257 L282 Q286 S289 R363	H255-S284 WeakPolarHBondContact O-CA 3.15Å; F257-S284 WeakPolarHBondContact O-CB 3.5Å; F257-S284 PolarHBondContact O-N 3.49Å; L282-S284 PolarHBondContact O-N 3.42Å; S284-Q286 WeakPolarHBondContact OG-CB 3.37Å; S284-Q286 PolarHBondContact OG-N 3.41Å; S284-Q286 VanDerWaalsContact OG-N 3.12Å; S284-S289 VanDerWaalsContact CB-OG 3.27Å; S284-S289 WeakPolarHBondContact CB-OG 3.28Å; S284-S289 PolarHBondContact OG-OG 2.77Å; S284-R363 WeakPolarHBondContact O-CG 3.23Å; S284-R363 PolarHBondContact O-NE 3.26Å
285	L	97	Very high	96.9	Very high	98 Å²	98	17.8 Å²	17.8	51%	0.513	10%	0.095	S	C	.	.	S	Bend	trans	-84.6	-0.8	174.9	-64.1	179	0	0	0	111.9	H255	H255-L285 HydrophobicContact CB-CG 4.05Å
286	Q	95.9	Very high	96.8	Very high	89 Å²	89	18.7 Å²	18.7	42%	0.416	10%	0.1	S	C	.	.	S	Bend	trans	-70.7	130.9	175.4	179.7	160.9	-5.6	0	0	110.5	H155 S284 G288 S289 R363	H155-Q286 PolarHBondContact CD2-NE2 3.35Å; H155-Q286 VanDerWaalsContact CD2-NE2 3.28Å; H155-Q286 PolarHBondContact ND1-NE2 3.14Å; S284-Q286 WeakPolarHBondContact OG-CB 3.37Å; S284-Q286 PolarHBondContact OG-N 3.41Å; S284-Q286 VanDerWaalsContact OG-N 3.12Å; Q286-G288 PolarHBondContact O-N 3.23Å; Q286-S289 VanDerWaalsContact O-CB 3.22Å; Q286-S289 WeakPolarHBondContact O-CB 3.28Å; Q286-S289 PolarHBondContact O-N 2.82Å; Q286-S289 PolarHBondContact O-OG 2.99Å; Q286-R363 WeakPolarHBondContact O-CB 3.38Å
287	S	96.4	Very high	96.5	Very high	51 Å²	51	19.9 Å²	19.9	36%	0.357	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.8	173.1	-167.6	0	0	0	0	110.5	H155 T364	H155-S287 PolarHBondContact CE1-O 3.05Å; S287-T364 VanDerWaalsContact OG-C 3.3Å; S287-T364 PolarHBondContact OG-O 3.31Å
288	G	97.1	Very high	96	Very high	7 Å²	7	21.7 Å²	21.7	7%	0.072	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-18.6	-173.7	0	0	0	0	0	115.1	N151 Q286 T290 R363	N151-G288 WeakPolarHBondContact CB-O 3.39Å; N151-G288 VanDerWaalsContact O-CA 3.29Å; N151-G288 WeakPolarHBondContact O-CA 3.05Å; Q286-G288 PolarHBondContact O-N 3.23Å; G288-T290 PolarHBondContact O-N 3.45Å; G288-T290 PolarHBondContact O-OG1 2.91Å; G288-R363 PolarHBondContact N-O 3.41Å
289	S	98.1	Very high	95.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.			trans	-54.6	130	172.8	-56	0	0	0	0	110.4	D258 S284 Q286 T362 R363	D258-S289 CarbonylContact O-C 3.55Å; D258-S289 VanDerWaalsContact O-CA 3.25Å; D258-S289 WeakPolarHBondContact O-CA 3.28Å; S284-S289 VanDerWaalsContact CB-OG 3.27Å; S284-S289 WeakPolarHBondContact CB-OG 3.28Å; S284-S289 PolarHBondContact OG-OG 2.77Å; Q286-S289 VanDerWaalsContact O-CB 3.22Å; Q286-S289 WeakPolarHBondContact O-CB 3.28Å; Q286-S289 PolarHBondContact O-N 2.82Å; Q286-S289 PolarHBondContact O-OG 2.99Å; S289-T362 WeakPolarHBondContact O-CA 3.5Å; S289-R363 PolarHBondContact O-N 3.02Å
290	T	98.5	Very high	95.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.6	-163.9	-65.7	0	0	0	0	112.4	N151 D258 L259 I260 G288 L292 F361 T362	N151-T290 PolarHBondContact ND2-OG1 2.89Å; D258-T290 PolarHBondContact O-N 2.87Å; L259-T290 VanDerWaalsContact CA-O 3.32Å; L259-T290 WeakPolarHBondContact CA-O 3.41Å; L259-T290 WeakPolarHBondContact CD1-O 3.3Å; I260-T290 PolarHBondContact N-O 3.29Å; G288-T290 PolarHBondContact O-N 3.45Å; G288-T290 PolarHBondContact O-OG1 2.91Å; T290-L292 HydrophobicContact CG2-CB 4.44Å; T290-F361 CarbonylContact C-O 3.58Å; T290-F361 VanDerWaalsContact CA-O 3.29Å; T290-F361 WeakPolarHBondContact CA-O 3.38Å; T290-T362 PolarHBondContact OG1-OG1 3.22Å
291	F	98.7	Very high	95	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.9	157.3	169.9	-98.3	0	0	0	109.1	L163 I260 A262 F266 M275 I279 A293 I359 A360 F361	L163-F291 HydrophobicContact CD1-CE2 4.48Å; I260-F291 HydrophobicContact CB-CD2 3.91Å; I260-F291 HydrophobicContact CG2-CD2 3.67Å; I260-F291 HydrophobicContact CG2-CE2 4.13Å; I260-F291 CarbonylContact O-C 3.47Å; I260-F291 WeakPolarHBondContact O-CA 3.33Å; A262-F291 HydrophobicContact CB-CE2 3.93Å; A262-F291 HydrophobicContact CB-CZ 4.03Å; F266-F291 HydrophobicContact CE1-CZ 4.19Å; F266-F291 HydrophobicContact CZ-CE1 4.12Å; F266-F291 AromaticContact CZ-CZ 3.88Å; F266-F291 HydrophobicContact CZ-CZ 3.88Å; M275-F291 HydrophobicContact CE-CZ 4.24Å; I279-F291 HydrophobicContact CD1-CD1 4.19Å; I279-F291 HydrophobicContact CD1-CD2 3.84Å; I279-F291 HydrophobicContact CD1-CE1 3.99Å; I279-F291 HydrophobicContact CD1-CE2 3.64Å; I279-F291 HydrophobicContact CD1-CG 4.11Å; I279-F291 HydrophobicContact CD1-CZ 3.7Å; I279-F291 HydrophobicContact CG1-CD2 3.91Å; I279-F291 HydrophobicContact CG1-CE2 3.96Å; I279-F291 HydrophobicContact CG1-CG 4.45Å; I279-F291 HydrophobicContact CG2-CB 3.73Å; I279-F291 HydrophobicContact CG2-CD2 3.92Å; I279-F291 HydrophobicContact CG2-CG 3.85Å; F291-A293 HydrophobicContact CE1-CB 3.9Å; F291-A293 HydrophobicContact CZ-CB 3.75Å; F291-I359 HydrophobicContact CE1-CG2 4.24Å; F291-A360 CarbonylContact O-C 3.59Å; F291-A360 VanDerWaalsContact O-CA 3.29Å; F291-A360 WeakPolarHBondContact O-CA 3.22Å; F291-F361 HydrophobicContact CB-CB 4.15Å; F291-F361 HydrophobicContact CB-CD2 4.23Å; F291-F361 HydrophobicContact CB-CG 4.49Å; F291-F361 HydrophobicContact CD1-CB 4.45Å; F291-F361 AromaticContact CD1-CD2 3.42Å; F291-F361 HydrophobicContact CD1-CD2 3.42Å; F291-F361 VanDerWaalsContact CD1-CD2 3.42Å; F291-F361 AromaticContact CD1-CE2 3.7Å; F291-F361 HydrophobicContact CD1-CE2 3.7Å; F291-F361 AromaticContact CD1-CG 3.92Å; F291-F361 HydrophobicContact CD1-CG 3.92Å; F291-F361 HydrophobicContact CD1-CZ 4.41Å; F291-F361 HydrophobicContact CE1-CD2 4.1Å; F291-F361 AromaticContact CE1-CE2 3.89Å; F291-F361 HydrophobicContact CE1-CE2 3.89Å; F291-F361 HydrophobicContact CE1-CZ 4.41Å; F291-F361 HydrophobicContact CG-CD2 4.09Å; F291-F361 PolarHBondContact N-O 3.11Å; F291-F361 PolarHBondContact O-N 3.43Å
292	L	98.4	Very high	94.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.2	-176.9	-167.3	79.2	0	0	0	110.1	L131 L144 L148 L259 I260 M261 A262 T290 L358 I359 A360	L131-L292 HydrophobicContact CD1-CD2 4.34Å; L144-L292 HydrophobicContact CD1-CD2 4.21Å; L144-L292 HydrophobicContact CD2-CD2 4.03Å; L144-L292 HydrophobicContact CG-CD2 3.99Å; L148-L292 HydrophobicContact CD2-CD2 4.35Å; L259-L292 HydrophobicContact CD1-CB 4.06Å; I260-L292 PolarHBondContact O-N 2.71Å; M261-L292 VanDerWaalsContact CA-O 3.23Å; M261-L292 WeakPolarHBondContact CA-O 3.06Å; M261-L292 HydrophobicContact CG-CB 4.29Å; A262-L292 PolarHBondContact N-O 3.3Å; A262-L292 VanDerWaalsContact N-O 3.12Å; T290-L292 HydrophobicContact CG2-CB 4.44Å; L292-L358 HydrophobicContact CD1-CD1 3.69Å; L292-L358 HydrophobicContact CD1-CD2 4.35Å; L292-L358 HydrophobicContact CD1-CG 4.2Å; L292-L358 HydrophobicContact CD2-CD1 4.44Å; L292-L358 HydrophobicContact CG-CD1 3.88Å; L292-I359 CarbonylContact C-O 3.52Å; L292-I359 WeakPolarHBondContact CA-O 3.38Å; L292-A360 HydrophobicContact CD1-CB 4.21Å
293	A	98.2	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.7	177	0	0	0	0	0	113.5	A262 F266 F291 L358 I359	A262-A293 HydrophobicContact CB-CB 4.07Å; A262-A293 WeakPolarHBondContact O-CA 3.5Å; A262-A293 VanDerWaalsContact O-CB 3.22Å; A262-A293 WeakPolarHBondContact O-CB 3.23Å; F266-A293 HydrophobicContact CE2-CB 3.9Å; F266-A293 HydrophobicContact CZ-CB 3.7Å; F291-A293 HydrophobicContact CE1-CB 3.9Å; F291-A293 HydrophobicContact CZ-CB 3.75Å; A293-L358 CarbonylContact O-C 3.55Å; A293-L358 WeakPolarHBondContact O-CA 3.26Å; A293-I359 HydrophobicContact CB-CB 4.29Å; A293-I359 HydrophobicContact CB-CD1 4.3Å; A293-I359 PolarHBondContact N-O 2.98Å; A293-I359 WeakPolarHBondContact O-CD1 3.33Å; A293-I359 PolarHBondContact O-N 3.33Å
294	I	96.6	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126	168.4	-61.8	176.9	0	0	0	108.5	S127 L130 L131 L144 A262 A263 D264 Y328 H357 L358	S127-I294 VanDerWaalsContact CB-O 3.31Å; S127-I294 WeakPolarHBondContact CB-O 3.38Å; L130-I294 HydrophobicContact CB-CD1 4.09Å; L131-I294 HydrophobicContact CB-CD1 4.12Å; L131-I294 HydrophobicContact CD1-CD1 3.93Å; L131-I294 HydrophobicContact CD1-CG1 4.16Å; L144-I294 HydrophobicContact CD1-CD1 4.39Å; A262-I294 PolarHBondContact O-N 2.77Å; A263-I294 WeakPolarHBondContact CA-O 3.19Å; D264-I294 PolarHBondContact N-O 3.36Å; I294-Y328 HydrophobicContact CD1-CE2 4.16Å; I294-H357 WeakPolarHBondContact CA-O 3.34Å; I294-L358 HydrophobicContact CG1-CD1 3.98Å
295	S	93.8	Very high	94.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	140.1	175.3	-177.9	0	0	0	0	113.2	F266 L302 G356 H357	F266-S295 VanDerWaalsContact CD2-CB 3.48Å; S295-L302 WeakPolarHBondContact O-CD2 3.15Å; S295-G356 CarbonylContact O-C 3.55Å; S295-G356 WeakPolarHBondContact O-CA 3.48Å; S295-H357 PolarHBondContact N-O 2.86Å; S295-H357 PolarHBondContact O-N 3.32Å
296	P	91.3	Very high	94.7	Very high	19 Å²	19	27 Å²	27	12%	0.123	16%	0.155	C	C	.	.			trans	-62	156.5	161.7	27	-31.7	0	0	0	111.3	D264 R298 D352	D264-P296 WeakPolarHBondContact OD1-CD 3.36Å; D264-P296 WeakPolarHBondContact OD1-CG 3.2Å; P296-R298 VanDerWaalsContact C-N 3.27Å; P296-R298 HydrophobicContact CB-CG 4.21Å; P296-R298 HydrophobicContact CG-CG 3.87Å; P296-R298 PolarHBondContact O-N 2.9Å; P296-D352 WeakPolarHBondContact CA-OD1 3.41Å
297	L	90.3	Very high	94.8	Very high	26 Å²	26	26.9 Å²	26.9	14%	0.136	16%	0.157	C	C	.	.			trans	-63.7	-33.3	-179.6	-69.9	174.2	0	0	0	112.7	G299 S301 L302 H303 D352	L297-G299 PolarHBondContact O-N 2.78Å; L297-S301 PolarHBondContact O-OG 3.42Å; L297-L302 HydrophobicContact CD2-CB 4.44Å; L297-L302 HydrophobicContact CD2-CD2 4.06Å; L297-L302 HydrophobicContact CD2-CG 4.44Å; L297-L302 WeakPolarHBondContact O-CB 3.44Å; L297-L302 PolarHBondContact O-N 3.45Å; L297-H303 WeakPolarHBondContact CD2-CE1 3.47Å; L297-D352 WeakPolarHBondContact CB-OD1 3.46Å; L297-D352 WeakPolarHBondContact CB-OD2 3.24Å; L297-D352 HydrophobicContact CD1-CB 4.22Å; L297-D352 HydrophobicContact CG-CB 4.44Å; L297-D352 VanDerWaalsContact CG-CG 3.48Å; L297-D352 VanDerWaalsContact CG-OD1 3.26Å; L297-D352 WeakPolarHBondContact CG-OD1 3.48Å; L297-D352 PolarHBondContact N-OD1 3.49Å
298	R	84.2	Confident	94.8	Very high	62 Å²	62	26.1 Å²	26.1	23%	0.234	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	53.8	-178.5	-65	-172.4	173.3	-72.1	-7.1	112.9	W125 D264 P296 N300 S301	W125-R298 VanDerWaalsContact CZ3-NH2 3.31Å; D264-R298 IonicContact OD1-CZ 4Å; D264-R298 VanDerWaalsContact OD1-CZ 3.27Å; D264-R298 IonicContact OD1-NE 3.78Å; D264-R298 PolarHBondContact OD1-NE 2.85Å; D264-R298 IonicContact OD1-NH2 2.98Å; D264-R298 PolarHBondContact OD1-NH2 3.13Å; D264-R298 IonicContact OD2-CZ 2.77Å; D264-R298 IonicContact OD2-NE 2.9Å; D264-R298 IonicContact OD2-NH2 3.43Å; D264-R298 PolarHBondContact OD2-NH2 3.39Å; P296-R298 VanDerWaalsContact C-N 3.27Å; P296-R298 HydrophobicContact CB-CG 4.21Å; P296-R298 HydrophobicContact CG-CG 3.87Å; P296-R298 PolarHBondContact O-N 2.9Å; R298-N300 PolarHBondContact O-N 2.78Å; R298-S301 WeakPolarHBondContact CB-OG 3.43Å; R298-S301 PolarHBondContact O-OG 2.77Å
299	G	87	Confident	94.8	Very high	54 Å²	54	25.8 Å²	25.8	56%	0.557	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-122.8	-170.9	0	0	0	0	0	109.7	L297	L297-G299 PolarHBondContact O-N 2.78Å
300	N	90.4	Very high	94.8	Very high	112 Å²	112	30.6 Å²	30.6	60%	0.599	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	0.9	180	-69.4	-13.8	0	0	0	113.3	R298 H303 N304	R298-N300 PolarHBondContact O-N 2.78Å; N300-H303 PolarHBondContact O-N 2.98Å; N300-N304 WeakPolarHBondContact O-CB 3.43Å; N300-N304 PolarHBondContact O-N 3.49Å; N300-N304 PolarHBondContact O-ND2 3.23Å; N300-N304 PolarHBondContact O-OD1 3.14Å
301	S	92.4	Very high	94.8	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-48.9	-173	69.7	0	0	0	0	111.4	F266 H272 L297 R298 H303 N304 F305	F266-S301 WeakPolarHBondContact O-CB 3.23Å; F266-S301 PolarHBondContact O-OG 3.49Å; H272-S301 PolarHBondContact CE1-O 2.99Å; L297-S301 PolarHBondContact O-OG 3.42Å; R298-S301 WeakPolarHBondContact CB-OG 3.43Å; R298-S301 PolarHBondContact O-OG 2.77Å; S301-H303 PolarHBondContact O-N 2.95Å; S301-N304 PolarHBondContact O-N 3.5Å; S301-F305 PolarHBondContact O-N 2.78Å
302	L	94.3	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-42.6	177.1	-179.1	53.6	0	0	0	111.7	F266 S295 L297 N304 F305 I306 L322 H357 I359	F266-L302 HydrophobicContact CB-CD1 4.26Å; F266-L302 HydrophobicContact CD2-CD1 3.63Å; F266-L302 HydrophobicContact CE2-CD1 4.13Å; F266-L302 HydrophobicContact CG-CD1 4.01Å; S295-L302 WeakPolarHBondContact O-CD2 3.15Å; L297-L302 HydrophobicContact CD2-CB 4.44Å; L297-L302 HydrophobicContact CD2-CD2 4.06Å; L297-L302 HydrophobicContact CD2-CG 4.44Å; L297-L302 WeakPolarHBondContact O-CB 3.44Å; L297-L302 PolarHBondContact O-N 3.45Å; L302-N304 VanDerWaalsContact C-N 3.3Å; L302-N304 PolarHBondContact O-N 3.2Å; L302-F305 HydrophobicContact CD1-CD1 4.49Å; L302-F305 WeakPolarHBondContact O-CB 3.45Å; L302-F305 PolarHBondContact O-N 3.22Å; L302-I306 HydrophobicContact CD1-CD1 4.4Å; L302-I306 HydrophobicContact CD1-CG1 4Å; L302-I306 HydrophobicContact CG-CG1 4.33Å; L302-I306 VanDerWaalsContact O-CG1 3.31Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.46Å; L302-L322 HydrophobicContact CD2-CD1 4.18Å; L302-H357 HydrophobicContact CD2-CB 4.45Å; L302-I359 HydrophobicContact CD1-CD1 4.04Å; L302-I359 HydrophobicContact CD1-CG1 4.02Å; L302-I359 HydrophobicContact CD2-CD1 4.11Å
303	H	95.1	Very high	94.6	Very high	71 Å²	71	41.5 Å²	41.5	33%	0.329	22%	0.215	S	C	.	.	H	α-helix	trans	-59.3	-40.7	176.3	-75.2	109.7	0	0	0	112.4	L297 N300 S301 I306 N307	L297-H303 WeakPolarHBondContact CD2-CE1 3.47Å; N300-H303 PolarHBondContact O-N 2.98Å; S301-H303 PolarHBondContact O-N 2.95Å; H303-I306 PolarHBondContact O-N 2.66Å; H303-N307 WeakPolarHBondContact O-CB 3.35Å; H303-N307 PolarHBondContact O-N 3.33Å; H303-N307 PolarHBondContact O-ND2 3.11Å
304	N	96.5	Very high	94.5	Very high	64 Å²	64	50.3 Å²	50.3	34%	0.342	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-41.5	177.7	-69.7	-10.6	0	0	0	111.5	Q269 N300 S301 L302 N307 L308	Q269-N304 PolarHBondContact OE1-ND2 3.45Å; N300-N304 WeakPolarHBondContact O-CB 3.43Å; N300-N304 PolarHBondContact O-N 3.49Å; N300-N304 PolarHBondContact O-ND2 3.23Å; N300-N304 PolarHBondContact O-OD1 3.14Å; S301-N304 PolarHBondContact O-N 3.5Å; L302-N304 VanDerWaalsContact C-N 3.3Å; L302-N304 PolarHBondContact O-N 3.2Å; N304-N307 PolarHBondContact O-N 2.83Å; N304-L308 PolarHBondContact O-N 3.09Å
305	F	97.2	Very high	94.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-48.2	173.5	-179.6	-104.1	0	0	0	111.9	F266 H272 M275 L276 I279 S301 L302 N307 L308 A309 F361	F266-F305 AromaticContact CD1-CD1 3.5Å; F266-F305 HydrophobicContact CD1-CD1 3.5Å; F266-F305 AromaticContact CD1-CD2 3.96Å; F266-F305 HydrophobicContact CD1-CD2 3.96Å; F266-F305 AromaticContact CD1-CE1 3.51Å; F266-F305 HydrophobicContact CD1-CE1 3.51Å; F266-F305 AromaticContact CD1-CE2 3.98Å; F266-F305 HydrophobicContact CD1-CE2 3.98Å; F266-F305 AromaticContact CD1-CG 3.73Å; F266-F305 HydrophobicContact CD1-CG 3.73Å; F266-F305 AromaticContact CD1-CZ 3.76Å; F266-F305 HydrophobicContact CD1-CZ 3.76Å; F266-F305 AromaticContact CE1-CD1 3.64Å; F266-F305 HydrophobicContact CE1-CD1 3.64Å; F266-F305 HydrophobicContact CE1-CD2 4.5Å; F266-F305 AromaticContact CE1-CE1 3.17Å; F266-F305 HydrophobicContact CE1-CE1 3.17Å; F266-F305 HydrophobicContact CE1-CE2 4.13Å; F266-F305 HydrophobicContact CE1-CG 4.28Å; F266-F305 AromaticContact CE1-CZ 3.46Å; F266-F305 HydrophobicContact CE1-CZ 3.46Å; F266-F305 VanDerWaalsContact CE1-CZ 3.46Å; F266-F305 HydrophobicContact CG-CD1 4.17Å; F266-F305 HydrophobicContact CG-CG 4.36Å; F266-F305 HydrophobicContact CZ-CD1 4.4Å; F266-F305 AromaticContact CZ-CE1 3.97Å; F266-F305 HydrophobicContact CZ-CE1 3.97Å; H272-F305 HydrophobicContact CB-CD2 3.91Å; H272-F305 AromaticContact CD2-CD2 3.87Å; H272-F305 AromaticContact CG-CD2 3.75Å; M275-F305 HydrophobicContact CB-CE2 4.28Å; M275-F305 HydrophobicContact CG-CE2 4.23Å; M275-F305 HydrophobicContact CG-CZ 4.47Å; M275-F305 HydrophobicContact SD-CE2 3.85Å; M275-F305 HydrophobicContact SD-CZ 4.01Å; L276-F305 HydrophobicContact CD1-CE2 4.48Å; L276-F305 HydrophobicContact CD2-CE1 4.19Å; L276-F305 HydrophobicContact CD2-CE2 3.71Å; L276-F305 HydrophobicContact CD2-CZ 3.47Å; L276-F305 VanDerWaalsContact CD2-CZ 3.47Å; L276-F305 HydrophobicContact CG-CD2 4.43Å; L276-F305 HydrophobicContact CG-CE2 3.68Å; L276-F305 HydrophobicContact CG-CZ 4Å; I279-F305 HydrophobicContact CD1-CZ 4.12Å; S301-F305 PolarHBondContact O-N 2.78Å; L302-F305 HydrophobicContact CD1-CD1 4.49Å; L302-F305 WeakPolarHBondContact O-CB 3.45Å; L302-F305 PolarHBondContact O-N 3.22Å; F305-N307 PolarHBondContact O-N 3.46Å; F305-L308 WeakPolarHBondContact O-CB 3.23Å; F305-L308 PolarHBondContact O-N 3.39Å; F305-A309 PolarHBondContact O-N 3.15Å; F305-F361 HydrophobicContact CD1-CZ 4.27Å; F305-F361 AromaticContact CE1-CE2 3.77Å; F305-F361 HydrophobicContact CE1-CE2 3.77Å; F305-F361 AromaticContact CE1-CZ 3.52Å; F305-F361 HydrophobicContact CE1-CZ 3.52Å; F305-F361 HydrophobicContact CZ-CE2 4.02Å; F305-F361 HydrophobicContact CZ-CZ 4.2Å
306	I	97.8	Very high	94.6	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-40.7	179.4	-65.9	-62.8	0	0	0	111.6	L302 H303 L308 A309 Y310 V320 L322 I359 F361	L302-I306 HydrophobicContact CD1-CD1 4.4Å; L302-I306 HydrophobicContact CD1-CG1 4Å; L302-I306 HydrophobicContact CG-CG1 4.33Å; L302-I306 VanDerWaalsContact O-CG1 3.31Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.46Å; H303-I306 PolarHBondContact O-N 2.66Å; I306-L308 VanDerWaalsContact C-N 3.26Å; I306-L308 PolarHBondContact O-N 2.86Å; I306-A309 WeakPolarHBondContact O-CB 3.36Å; I306-A309 PolarHBondContact O-N 3.26Å; I306-A309 VanDerWaalsContact O-N 3.12Å; I306-Y310 HydrophobicContact CG2-CD2 3.72Å; I306-Y310 HydrophobicContact CG2-CE2 3.35Å; I306-Y310 VanDerWaalsContact O-CD2 3.29Å; I306-Y310 WeakPolarHBondContact O-CD2 3.36Å; I306-Y310 PolarHBondContact O-N 2.93Å; I306-V320 HydrophobicContact CG2-CG1 4.28Å; I306-L322 HydrophobicContact CG1-CD1 4.38Å; I306-I359 HydrophobicContact CD1-CB 4.43Å; I306-I359 HydrophobicContact CD1-CG1 3.97Å; I306-I359 HydrophobicContact CD1-CG2 3.6Å; I306-F361 HydrophobicContact CD1-CE1 3.85Å; I306-F361 HydrophobicContact CD1-CZ 4.06Å
307	N	97.7	Very high	94.9	Very high	86 Å²	86	56.9 Å²	56.9	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-37.5	174.7	-73.7	-25.5	0	0	0	111.8	H303 N304 F305 Q311	H303-N307 WeakPolarHBondContact O-CB 3.35Å; H303-N307 PolarHBondContact O-N 3.33Å; H303-N307 PolarHBondContact O-ND2 3.11Å; N304-N307 PolarHBondContact O-N 2.83Å; F305-N307 PolarHBondContact O-N 3.46Å; N307-Q311 WeakPolarHBondContact O-CG 3.28Å; N307-Q311 PolarHBondContact O-N 2.96Å
308	L	97	Very high	95.2	Very high	35 Å²	35	55.9 Å²	55.9	18%	0.183	29%	0.291	C	S	.	.	H	α-helix	trans	-67.9	-40.4	173.8	-171.7	65.6	0	0	0	111.2	H272 F273 L276 N304 F305 I306 Y310 Q311 M312	H272-L308 HydrophobicContact CB-CD2 4.07Å; F273-L308 HydrophobicContact CB-CD2 3.93Å; F273-L308 HydrophobicContact CD2-CD1 4.31Å; F273-L308 HydrophobicContact CD2-CD2 4.17Å; L276-L308 HydrophobicContact CD1-CB 3.9Å; L276-L308 HydrophobicContact CD1-CD2 3.62Å; L276-L308 HydrophobicContact CD1-CG 3.49Å; L276-L308 VanDerWaalsContact CD1-CG 3.49Å; N304-L308 PolarHBondContact O-N 3.09Å; F305-L308 WeakPolarHBondContact O-CB 3.23Å; F305-L308 PolarHBondContact O-N 3.39Å; I306-L308 VanDerWaalsContact C-N 3.26Å; I306-L308 PolarHBondContact O-N 2.86Å; L308-Y310 PolarHBondContact O-N 2.87Å; L308-Q311 WeakPolarHBondContact O-CB 3.41Å; L308-Q311 PolarHBondContact O-N 3.29Å; L308-M312 HydrophobicContact CD1-CE 4.25Å; L308-M312 WeakPolarHBondContact O-CG 3.42Å; L308-M312 PolarHBondContact O-N 3.45Å
309	A	97.9	Very high	95.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-42.4	174.4	0	0	0	0	0	112.2	L276 F305 I306 Q311 M312 E313 V320 F361	L276-A309 HydrophobicContact CD1-CB 4.37Å; L276-A309 HydrophobicContact CD2-CB 3.9Å; F305-A309 PolarHBondContact O-N 3.15Å; I306-A309 WeakPolarHBondContact O-CB 3.36Å; I306-A309 PolarHBondContact O-N 3.26Å; I306-A309 VanDerWaalsContact O-N 3.12Å; A309-Q311 VanDerWaalsContact C-N 3.3Å; A309-Q311 PolarHBondContact O-N 2.92Å; A309-M312 CarbonylContact O-C 3.39Å; A309-M312 PolarHBondContact O-N 2.95Å; A309-E313 PolarHBondContact O-N 3.45Å; A309-V320 HydrophobicContact CB-CG1 4.04Å; A309-V320 HydrophobicContact CB-CG2 4.03Å; A309-F361 HydrophobicContact CB-CE1 3.86Å; A309-F361 HydrophobicContact CB-CE2 4.12Å; A309-F361 HydrophobicContact CB-CZ 3.55Å
310	Y	97.9	Very high	96.4	Very high	101 Å²	101	53.2 Å²	53.2	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-37.2	174.1	-79.7	-55.6	0	0	0	112.9	I306 L308 M312 E313 V320	I306-Y310 HydrophobicContact CG2-CD2 3.72Å; I306-Y310 HydrophobicContact CG2-CE2 3.35Å; I306-Y310 VanDerWaalsContact O-CD2 3.29Å; I306-Y310 WeakPolarHBondContact O-CD2 3.36Å; I306-Y310 PolarHBondContact O-N 2.93Å; L308-Y310 PolarHBondContact O-N 2.87Å; Y310-M312 PolarHBondContact O-N 3.17Å; Y310-E313 WeakPolarHBondContact O-CB 3.4Å; Y310-E313 PolarHBondContact O-N 2.75Å; Y310-V320 HydrophobicContact CD1-CB 3.73Å; Y310-V320 HydrophobicContact CD1-CG1 3.87Å; Y310-V320 HydrophobicContact CD2-CG1 4.34Å; Y310-V320 HydrophobicContact CE1-CB 3.54Å; Y310-V320 HydrophobicContact CE1-CG1 3.62Å; Y310-V320 VanDerWaalsContact CE1-O 3.23Å; Y310-V320 WeakPolarHBondContact CE1-O 3.24Å; Y310-V320 HydrophobicContact CE2-CG1 4.14Å; Y310-V320 HydrophobicContact CG-CB 4.46Å; Y310-V320 HydrophobicContact CG-CG1 4.2Å; Y310-V320 PolarHBondContact OH-O 3.11Å
311	Q	97.5	Very high	96.8	Very high	137 Å²	137	50.5 Å²	50.5	64%	0.64	25%	0.254	S	S	*	.	H	α-helix	trans	-65.4	-27.3	175.1	-68.7	168.5	19.3	0	0	112.4	N307 L308 A309	N307-Q311 WeakPolarHBondContact O-CG 3.28Å; N307-Q311 PolarHBondContact O-N 2.96Å; L308-Q311 WeakPolarHBondContact O-CB 3.41Å; L308-Q311 PolarHBondContact O-N 3.29Å; A309-Q311 VanDerWaalsContact C-N 3.3Å; A309-Q311 PolarHBondContact O-N 2.92Å
312	M	96.4	Very high	97	Very high	29 Å²	29	52.6 Å²	52.6	14%	0.143	26%	0.264	C	S	.	.	H	α-helix	trans	-95	-2.3	-179.6	-60	-61.7	163.8	0	0	113.9	F273 L308 A309 Y310 Q314 T315 Y316	F273-M312 HydrophobicContact CD2-CE 4.04Å; F273-M312 HydrophobicContact CE2-CE 3.43Å; F273-M312 VanDerWaalsContact CE2-CE 3.43Å; F273-M312 HydrophobicContact CZ-CE 4.43Å; L308-M312 HydrophobicContact CD1-CE 4.25Å; L308-M312 WeakPolarHBondContact O-CG 3.42Å; L308-M312 PolarHBondContact O-N 3.45Å; A309-M312 CarbonylContact O-C 3.39Å; A309-M312 PolarHBondContact O-N 2.95Å; Y310-M312 PolarHBondContact O-N 3.17Å; M312-Q314 VanDerWaalsContact C-N 3.29Å; M312-Q314 PolarHBondContact O-N 3.23Å; M312-T315 PolarHBondContact O-N 2.94Å; M312-Y316 HydrophobicContact CB-CD2 3.39Å; M312-Y316 HydrophobicContact CB-CE2 3.39Å; M312-Y316 HydrophobicContact CB-CG 4.18Å; M312-Y316 HydrophobicContact CG-CD2 4.15Å; M312-Y316 HydrophobicContact CG-CE2 3.6Å; M312-Y316 PolarHBondContact O-N 2.97Å; M312-Y316 HydrophobicContact SD-CE2 4.23Å
313	E	96.1	Very high	97.1	Very high	62 Å²	62	53.7 Å²	53.7	29%	0.29	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-44.7	-172.1	-169.4	173.2	-175	0	0	112.3	A309 Y310 S317 W318 T319 V320	A309-E313 PolarHBondContact O-N 3.45Å; Y310-E313 WeakPolarHBondContact O-CB 3.4Å; Y310-E313 PolarHBondContact O-N 2.75Å; E313-S317 WeakPolarHBondContact O-CA 3.42Å; E313-S317 PolarHBondContact O-N 3.46Å; E313-W318 WeakPolarHBondContact CG-O 3.24Å; E313-W318 PolarHBondContact O-N 3.31Å; E313-T319 WeakPolarHBondContact OE1-CA 3.38Å; E313-V320 HydrophobicContact CG-CG2 4.41Å
314	Q	96.1	Very high	97.1	Very high	186 Å²	186	50.8 Å²	50.8	87%	0.869	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.2	175.7	-65.7	-178.3	3.8	0	0	112.6	M312 Y316 S317	M312-Q314 VanDerWaalsContact C-N 3.29Å; M312-Q314 PolarHBondContact O-N 3.23Å; Q314-Y316 VanDerWaalsContact C-N 3.32Å; Q314-Y316 PolarHBondContact O-N 3.08Å; Q314-S317 PolarHBondContact O-N 2.91Å
315	T	96.7	Very high	97	Very high	104 Å²	104	47.8 Å²	47.8	64%	0.638	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.8	-177.2	-58.4	0	0	0	0	112	M312	M312-T315 PolarHBondContact O-N 2.94Å
316	Y	96.6	Very high	96.8	Very high	14 Å²	14	50.4 Å²	50.4	6%	0.055	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	9.7	178.5	-57.3	-29.1	0	0	0	112.9	L276 N277 N280 M312 Q314 W318 R363	L276-Y316 HydrophobicContact CB-CE2 4.27Å; N277-Y316 PolarHBondContact OD1-OH 2.97Å; N280-Y316 HydrophobicContact CB-CD1 3.99Å; N280-Y316 HydrophobicContact CB-CD2 4.15Å; N280-Y316 HydrophobicContact CB-CE1 4.16Å; N280-Y316 HydrophobicContact CB-CE2 4.32Å; N280-Y316 HydrophobicContact CB-CG 4Å; N280-Y316 WeakPolarHBondContact ND2-CD1 3.3Å; M312-Y316 HydrophobicContact CB-CD2 3.39Å; M312-Y316 HydrophobicContact CB-CE2 3.39Å; M312-Y316 HydrophobicContact CB-CG 4.18Å; M312-Y316 HydrophobicContact CG-CD2 4.15Å; M312-Y316 HydrophobicContact CG-CE2 3.6Å; M312-Y316 PolarHBondContact O-N 2.97Å; M312-Y316 HydrophobicContact SD-CE2 4.23Å; Q314-Y316 VanDerWaalsContact C-N 3.32Å; Q314-Y316 PolarHBondContact O-N 3.08Å; Y316-W318 HydrophobicContact CD2-CD2 4.31Å; Y316-W318 AromaticContact CD2-CE3 3.72Å; Y316-W318 HydrophobicContact CD2-CE3 3.72Å; Y316-W318 AromaticContact CD2-CH2 3.68Å; Y316-W318 HydrophobicContact CD2-CH2 3.68Å; Y316-W318 HydrophobicContact CD2-CZ2 4.29Å; Y316-W318 AromaticContact CD2-CZ3 3.36Å; Y316-W318 HydrophobicContact CD2-CZ3 3.36Å; Y316-W318 HydrophobicContact CE2-CH2 4.34Å; Y316-W318 HydrophobicContact CE2-CZ3 4.12Å; Y316-W318 HydrophobicContact CG-CD2 4.45Å; Y316-W318 HydrophobicContact CG-CE3 4.28Å; Y316-W318 HydrophobicContact CG-CH2 4.3Å; Y316-W318 HydrophobicContact CG-CZ2 4.48Å; Y316-W318 HydrophobicContact CG-CZ3 4.2Å; Y316-W318 PolarHBondContact O-N 3.43Å; Y316-W318 PolarHBondContact O-NE1 3.15Å; Y316-R363 PolarHBondContact O-NH1 3.27Å
317	S	97.6	Very high	96.7	Very high	40 Å²	40	55.2 Å²	55.2	28%	0.28	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	48.4	179.2	-55.1	0	0	0	0	112.7	E313 Q314 R363 T364	E313-S317 WeakPolarHBondContact O-CA 3.42Å; E313-S317 PolarHBondContact O-N 3.46Å; Q314-S317 PolarHBondContact O-N 2.91Å; S317-R363 WeakPolarHBondContact O-CA 3.18Å; S317-T364 PolarHBondContact O-N 3.27Å; S317-T364 PolarHBondContact O-OG1 2.81Å
318	W	97.6	Very high	96.6	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	163.4	-179.6	-70.1	-20.3	0	0	0	111.1	L276 I279 N280 L283 E313 Y316 F361 T362	L276-W318 HydrophobicContact CD2-CZ3 4.16Å; I279-W318 HydrophobicContact CB-CH2 4.03Å; I279-W318 HydrophobicContact CB-CZ2 4.5Å; I279-W318 HydrophobicContact CG2-CH2 3.7Å; I279-W318 HydrophobicContact CG2-CZ2 3.83Å; N280-W318 VanDerWaalsContact CA-CZ2 3.47Å; N280-W318 HydrophobicContact CB-CH2 3.76Å; N280-W318 HydrophobicContact CB-CZ2 3.65Å; L283-W318 HydrophobicContact CD2-CZ2 4.44Å; E313-W318 WeakPolarHBondContact CG-O 3.24Å; E313-W318 PolarHBondContact O-N 3.31Å; Y316-W318 HydrophobicContact CD2-CD2 4.31Å; Y316-W318 AromaticContact CD2-CE3 3.72Å; Y316-W318 HydrophobicContact CD2-CE3 3.72Å; Y316-W318 AromaticContact CD2-CH2 3.68Å; Y316-W318 HydrophobicContact CD2-CH2 3.68Å; Y316-W318 HydrophobicContact CD2-CZ2 4.29Å; Y316-W318 AromaticContact CD2-CZ3 3.36Å; Y316-W318 HydrophobicContact CD2-CZ3 3.36Å; Y316-W318 HydrophobicContact CE2-CH2 4.34Å; Y316-W318 HydrophobicContact CE2-CZ3 4.12Å; Y316-W318 HydrophobicContact CG-CD2 4.45Å; Y316-W318 HydrophobicContact CG-CE3 4.28Å; Y316-W318 HydrophobicContact CG-CH2 4.3Å; Y316-W318 HydrophobicContact CG-CZ2 4.48Å; Y316-W318 HydrophobicContact CG-CZ3 4.2Å; Y316-W318 PolarHBondContact O-N 3.43Å; Y316-W318 PolarHBondContact O-NE1 3.15Å; W318-F361 HydrophobicContact CD2-CB 4.21Å; W318-F361 HydrophobicContact CE3-CB 4.19Å; W318-F361 HydrophobicContact CE3-CD2 4.15Å; W318-F361 HydrophobicContact CE3-CG 4.33Å; W318-F361 HydrophobicContact CG-CB 4.44Å; W318-F361 HydrophobicContact CH2-CD2 4.48Å; W318-F361 AromaticContact CZ3-CD2 3.95Å; W318-F361 HydrophobicContact CZ3-CD2 3.95Å; W318-T362 CarbonylContact C-O 3.49Å; W318-T362 VanDerWaalsContact CA-O 3.24Å; W318-T362 WeakPolarHBondContact CA-O 3.24Å
319	T	97.8	Very high	96.5	Very high	51 Å²	51	49.6 Å²	49.6	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.4	148.7	56.8	0	0	0	0	108.5	E313 F361 T362 T364	E313-T319 WeakPolarHBondContact OE1-CA 3.38Å; T319-F361 CarbonylContact O-C 3.54Å; T319-F361 VanDerWaalsContact O-CA 3.24Å; T319-F361 WeakPolarHBondContact O-CA 3.45Å; T319-T362 PolarHBondContact N-O 2.78Å; T319-T362 PolarHBondContact O-N 2.61Å; T319-T364 HydrophobicContact CG2-CG2 3.5Å
320	V	98.3	Very high	96.2	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124	-176.7	173	0	0	0	0	110.6	I306 A309 Y310 E313 F361	I306-V320 HydrophobicContact CG2-CG1 4.28Å; A309-V320 HydrophobicContact CB-CG1 4.04Å; A309-V320 HydrophobicContact CB-CG2 4.03Å; Y310-V320 HydrophobicContact CD1-CB 3.73Å; Y310-V320 HydrophobicContact CD1-CG1 3.87Å; Y310-V320 HydrophobicContact CD2-CG1 4.34Å; Y310-V320 HydrophobicContact CE1-CB 3.54Å; Y310-V320 HydrophobicContact CE1-CG1 3.62Å; Y310-V320 VanDerWaalsContact CE1-O 3.23Å; Y310-V320 WeakPolarHBondContact CE1-O 3.24Å; Y310-V320 HydrophobicContact CE2-CG1 4.14Å; Y310-V320 HydrophobicContact CG-CB 4.46Å; Y310-V320 HydrophobicContact CG-CG1 4.2Å; Y310-V320 PolarHBondContact OH-O 3.11Å; E313-V320 HydrophobicContact CG-CG2 4.41Å; V320-F361 HydrophobicContact CB-CD1 4.17Å; V320-F361 HydrophobicContact CB-CE1 4.44Å; V320-F361 HydrophobicContact CG1-CD1 3.87Å; V320-F361 HydrophobicContact CG1-CE1 3.66Å; V320-F361 HydrophobicContact CG2-CD1 3.87Å; V320-F361 HydrophobicContact CG2-CE1 4.27Å; V320-F361 HydrophobicContact CG2-CG 4.46Å
321	K	97.9	Very high	95.7	Very high	55 Å²	55	50.3 Å²	50.3	24%	0.239	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.9	178.8	-63.2	179.2	-179.8	173.9	0	112.2	E147 I323 I359 A360	E147-K321 IonicContact OE1-NZ 2.73Å; E147-K321 PolarHBondContact OE1-NZ 2.96Å; E147-K321 IonicContact OE2-NZ 3.93Å; E147-K321 PolarHBondContact OE2-NZ 3.31Å; K321-I323 HydrophobicContact CB-CD1 4.35Å; K321-I323 HydrophobicContact CB-CG1 4.16Å; K321-I323 HydrophobicContact CD-CD1 4.4Å; K321-I359 WeakPolarHBondContact O-CA 3.32Å; K321-A360 HydrophobicContact CB-CB 4.39Å; K321-A360 PolarHBondContact N-O 3.15Å; K321-A360 PolarHBondContact O-N 2.93Å
322	L	97.3	Very high	95.2	Very high	51 Å²	51	48.7 Å²	48.7	27%	0.267	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.1	164.1	-178.2	67.3	0	0	0	107.7	L302 I306 H357 I359	L302-L322 HydrophobicContact CD2-CD1 4.18Å; I306-L322 HydrophobicContact CG1-CD1 4.38Å; L322-H357 HydrophobicContact CD1-CB 3.65Å; L322-H357 HydrophobicContact CG-CB 4.46Å; L322-I359 HydrophobicContact CD1-CG1 4.03Å
323	I	97.1	Very high	94.8	Very high	22 Å²	22	47.4 Å²	47.4	11%	0.113	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.3	-170.8	-59.7	166.7	0	0	0	108.5	E147 K321 D327 Y328 L358	E147-I323 HydrophobicContact CG-CD1 3.71Å; K321-I323 HydrophobicContact CB-CD1 4.35Å; K321-I323 HydrophobicContact CB-CG1 4.16Å; K321-I323 HydrophobicContact CD-CD1 4.4Å; I323-D327 HydrophobicContact CG2-CB 3.58Å; I323-Y328 HydrophobicContact CG2-CD1 4.47Å; I323-L358 HydrophobicContact CB-CB 4.09Å; I323-L358 HydrophobicContact CD1-CD2 3.93Å; I323-L358 HydrophobicContact CD1-CG 4.42Å; I323-L358 PolarHBondContact N-O 2.99Å; I323-L358 PolarHBondContact O-N 3.3Å
324	S	95	Very high	94.5	Very high	11 Å²	11	44.9 Å²	44.9	8%	0.077	25%	0.25	C	C	.	.			trans	-68.8	154.9	-178	78.4	0	0	0	0	111.6	S326 D327 Y328 D348	S324-S326 PolarHBondContact O-N 3.38Å; S324-S326 PolarHBondContact OG-OG 2.8Å; S324-D327 WeakPolarHBondContact CB-OD2 3.09Å; S324-D327 PolarHBondContact O-N 2.59Å; S324-D327 PolarHBondContact OG-N 2.8Å; S324-D327 PolarHBondContact OG-OD2 3.02Å; S324-Y328 WeakPolarHBondContact O-CD1 3.23Å; S324-Y328 PolarHBondContact O-N 2.92Å; S324-D348 WeakPolarHBondContact CB-OD1 3.41Å
325	P	93.8	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-33.9	176.7	-19.4	30.4	0	0	0	113.4	D327 Y328 L329 L351 I355 G356	P325-D327 VanDerWaalsContact C-N 3.28Å; P325-D327 PolarHBondContact O-N 3.16Å; P325-Y328 VanDerWaalsContact CA-CE1 3.46Å; P325-Y328 HydrophobicContact CB-CE1 4.2Å; P325-L329 WeakPolarHBondContact O-CB 2.9Å; P325-L329 PolarHBondContact O-N 3.25Å; P325-L329 VanDerWaalsContact O-N 3.12Å; P325-L351 HydrophobicContact CB-CB 3.66Å; P325-L351 HydrophobicContact CB-CD1 3.85Å; P325-L351 HydrophobicContact CB-CG 4.34Å; P325-L351 HydrophobicContact CG-CB 3.58Å; P325-L351 HydrophobicContact CG-CD1 4.44Å; P325-I355 HydrophobicContact CB-CG2 4.28Å; P325-G356 VanDerWaalsContact CG-O 3.32Å; P325-G356 WeakPolarHBondContact CG-O 3.34Å
326	S	92.8	Very high	93.4	Very high	55 Å²	55	36 Å²	36	39%	0.385	20%	0.203	S	C	.	.	H	α-helix	trans	-70	-21.6	176.2	45.7	0	0	0	0	114.7	S324 D348	S324-S326 PolarHBondContact O-N 3.38Å; S324-S326 PolarHBondContact OG-OG 2.8Å; S326-D348 PolarHBondContact OG-OD1 2.73Å; S326-D348 VanDerWaalsContact OG-OD1 3.12Å
327	D	95.2	Very high	92.9	Very high	106 Å²	106	35.5 Å²	35.5	57%	0.567	20%	0.201	S	C	*	.	H	α-helix	trans	-89.4	-27.3	-178.5	-64.5	-35.7	0	0	0	112.2	G143 I323 S324 P325	G143-D327 WeakPolarHBondContact CA-O 3.44Å; I323-D327 HydrophobicContact CG2-CB 3.58Å; S324-D327 WeakPolarHBondContact CB-OD2 3.09Å; S324-D327 PolarHBondContact O-N 2.59Å; S324-D327 PolarHBondContact OG-N 2.8Å; S324-D327 PolarHBondContact OG-OD2 3.02Å; P325-D327 VanDerWaalsContact C-N 3.28Å; P325-D327 PolarHBondContact O-N 3.16Å
328	Y	96.6	Very high	92.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-103	-19.8	-179.1	83.8	-99.1	0	0	0	115.4	Y141 G143 L144 I294 I323 S324 P325 I355 G356 L358	Y141-Y328 CarbonylContact C-O 3.06Å; Y141-Y328 WeakPolarHBondContact CA-O 2.83Å; Y141-Y328 HydrophobicContact CD1-CD2 4.35Å; Y141-Y328 HydrophobicContact CD1-CE2 4.31Å; G143-Y328 PolarHBondContact N-O 3.22Å; L144-Y328 HydrophobicContact CB-CD2 4.43Å; I294-Y328 HydrophobicContact CD1-CE2 4.16Å; I323-Y328 HydrophobicContact CG2-CD1 4.47Å; S324-Y328 WeakPolarHBondContact O-CD1 3.23Å; S324-Y328 PolarHBondContact O-N 2.92Å; P325-Y328 VanDerWaalsContact CA-CE1 3.46Å; P325-Y328 HydrophobicContact CB-CE1 4.2Å; Y328-I355 VanDerWaalsContact OH-CG2 3.28Å; Y328-I355 WeakPolarHBondContact OH-CG2 3.39Å; Y328-G356 PolarHBondContact OH-O 2.84Å; Y328-L358 HydrophobicContact CD1-CB 3.41Å; Y328-L358 VanDerWaalsContact CD1-CB 3.41Å; Y328-L358 HydrophobicContact CD1-CD2 4.49Å; Y328-L358 HydrophobicContact CD2-CB 4.33Å; Y328-L358 HydrophobicContact CD2-CD2 4.49Å; Y328-L358 HydrophobicContact CE1-CB 3.76Å; Y328-L358 HydrophobicContact CG-CB 3.74Å; Y328-L358 HydrophobicContact CG-CD2 4.02Å; Y328-L358 HydrophobicContact CG-CG 4.46Å
329	L	94.2	Very high	90.9	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-103.3	150.5	174.9	-60.8	176.9	0	0	0	111.6	Y141 P325 F333 I334 I355	Y141-L329 HydrophobicContact CD1-CD2 3.28Å; Y141-L329 HydrophobicContact CE1-CD2 3.45Å; Y141-L329 VanDerWaalsContact CE1-CD2 3.45Å; Y141-L329 HydrophobicContact CG-CD2 4.04Å; P325-L329 WeakPolarHBondContact O-CB 2.9Å; P325-L329 PolarHBondContact O-N 3.25Å; P325-L329 VanDerWaalsContact O-N 3.12Å; L329-F333 HydrophobicContact CD2-CD1 3.86Å; L329-F333 HydrophobicContact CD2-CE1 3.95Å; L329-I334 HydrophobicContact CB-CD1 3.98Å; L329-I334 HydrophobicContact CB-CG1 3.73Å; L329-I334 HydrophobicContact CD1-CG1 4.08Å; L329-I355 HydrophobicContact CD1-CD1 3.86Å; L329-I355 HydrophobicContact CD1-CG2 3.49Å; L329-I355 VanDerWaalsContact CD1-CG2 3.49Å
330	S	91.5	Very high	89.3	Confident	21 Å²	21	41.1 Å²	41.1	15%	0.147	22%	0.223	C	C	.	.			trans	-68.8	144.6	171.4	80.3	0	0	0	0	110.9	L140 Q332 F333 I334	L140-S330 PolarHBondContact O-N 2.63Å; S330-Q332 PolarHBondContact O-N 2.79Å; S330-F333 PolarHBondContact O-N 3.39Å; S330-F333 VanDerWaalsContact OG-CB 3.3Å; S330-F333 WeakPolarHBondContact OG-CB 3.14Å; S330-F333 PolarHBondContact OG-N 2.86Å; S330-I334 WeakPolarHBondContact O-CG1 3.4Å; S330-I334 PolarHBondContact O-N 3.48Å
331	S	87.6	Confident	87.2	Confident	95 Å²	95	45.6 Å²	45.6	66%	0.664	26%	0.255	S	S	*	.	H	α-helix	trans	-59	-35	178	56	0	0	0	0	112.7	S335	S331-S335 WeakPolarHBondContact O-CB 2.98Å; S331-S335 PolarHBondContact O-N 3.41Å; S331-S335 PolarHBondContact O-OG 3.35Å
332	Q	86.1	Confident	85.2	Confident	103 Å²	103	50.4 Å²	50.4	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-43.4	173.9	-175.9	179.1	10.3	0	0	111.3	V71 S330 S335 Y336	V71-Q332 HydrophobicContact CG1-CG 4.28Å; S330-Q332 PolarHBondContact O-N 2.79Å; Q332-S335 PolarHBondContact O-N 3.23Å; Q332-Y336 PolarHBondContact O-N 3.42Å
333	F	89.7	Confident	83.6	Confident	1 Å²	1	52.2 Å²	52.2	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-42.1	-179.8	-174.7	-152.6	0	0	0	112.1	V45 V71 L130 L140 Y141 L329 S330 S335 Y336 L337	V45-F333 HydrophobicContact CG1-CE2 3.81Å; V45-F333 HydrophobicContact CG1-CZ 3.57Å; V71-F333 HydrophobicContact CG2-CB 4.44Å; V71-F333 HydrophobicContact CG2-CD2 3.32Å; V71-F333 HydrophobicContact CG2-CE2 3.77Å; V71-F333 HydrophobicContact CG2-CG 4.11Å; L130-F333 HydrophobicContact CD2-CE1 4.1Å; L130-F333 HydrophobicContact CD2-CZ 4.01Å; L140-F333 HydrophobicContact CB-CB 4.43Å; L140-F333 HydrophobicContact CB-CD1 3.92Å; L140-F333 HydrophobicContact CB-CE1 4.45Å; L140-F333 HydrophobicContact CB-CG 4.28Å; L140-F333 HydrophobicContact CD2-CB 4.32Å; Y141-F333 HydrophobicContact CE1-CE1 4.02Å; Y141-F333 HydrophobicContact CE2-CD1 4.42Å; Y141-F333 AromaticContact CE2-CE1 3.82Å; Y141-F333 HydrophobicContact CE2-CE1 3.82Å; Y141-F333 AromaticContact CZ-CE1 3.48Å; Y141-F333 VanDerWaalsContact CZ-CE1 3.48Å; Y141-F333 WeakPolarHBondContact OH-CE1 3.24Å; L329-F333 HydrophobicContact CD2-CD1 3.86Å; L329-F333 HydrophobicContact CD2-CE1 3.95Å; S330-F333 PolarHBondContact O-N 3.39Å; S330-F333 VanDerWaalsContact OG-CB 3.3Å; S330-F333 WeakPolarHBondContact OG-CB 3.14Å; S330-F333 PolarHBondContact OG-N 2.86Å; F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 2.85Å; F333-Y336 HydrophobicContact CD2-CD1 4.12Å; F333-Y336 HydrophobicContact CE2-CD1 4.24Å; F333-Y336 PolarHBondContact O-N 2.88Å; F333-L337 HydrophobicContact CD1-CD1 4.41Å; F333-L337 HydrophobicContact CD2-CD1 4.09Å; F333-L337 HydrophobicContact CD2-CD2 4.29Å; F333-L337 HydrophobicContact CD2-CG 3.8Å; F333-L337 HydrophobicContact CE1-CD1 4.09Å; F333-L337 HydrophobicContact CE2-CD1 3.82Å; F333-L337 HydrophobicContact CE2-CD2 3.6Å; F333-L337 HydrophobicContact CE2-CG 3.58Å; F333-L337 HydrophobicContact CG-CD1 4.4Å; F333-L337 HydrophobicContact CZ-CD1 3.82Å; F333-L337 HydrophobicContact CZ-CD2 4.05Å; F333-L337 HydrophobicContact CZ-CG 4.08Å; F333-L337 WeakPolarHBondContact O-CG 3.44Å; F333-L337 PolarHBondContact O-N 3.23Å
334	I	89.2	Confident	81.8	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-56	-47.6	173.7	-67	170.4	0	0	0	110.7	L329 S330 Y336 L337 I338 F346 L351	L329-I334 HydrophobicContact CB-CD1 3.98Å; L329-I334 HydrophobicContact CB-CG1 3.73Å; L329-I334 HydrophobicContact CD1-CG1 4.08Å; S330-I334 WeakPolarHBondContact O-CG1 3.4Å; S330-I334 PolarHBondContact O-N 3.48Å; I334-Y336 VanDerWaalsContact C-N 3.32Å; I334-Y336 PolarHBondContact O-N 3.5Å; I334-L337 PolarHBondContact O-N 2.81Å; I334-I338 HydrophobicContact CG2-CD1 3.7Å; I334-I338 WeakPolarHBondContact O-CG1 3.22Å; I334-I338 PolarHBondContact O-N 3.26Å; I334-I338 VanDerWaalsContact O-N 3.1Å; I334-F346 HydrophobicContact CG2-CD2 3.55Å; I334-F346 HydrophobicContact CG2-CE2 4.01Å; I334-F346 HydrophobicContact CG2-CG 4.38Å; I334-L351 HydrophobicContact CD1-CD1 4.29Å; I334-L351 HydrophobicContact CG2-CD1 4.39Å; I334-L351 HydrophobicContact CG2-CD2 3.69Å
335	S	84.4	Confident	80.6	Confident	38 Å²	38	66.3 Å²	66.3	27%	0.266	36%	0.356	S	S	.	.	H	α-helix	trans	-60.2	-42.5	178.9	-57.2	0	0	0	0	111.7	S331 Q332 F333 D339	S331-S335 WeakPolarHBondContact O-CB 2.98Å; S331-S335 PolarHBondContact O-N 3.41Å; S331-S335 PolarHBondContact O-OG 3.35Å; Q332-S335 PolarHBondContact O-N 3.23Å; F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 2.85Å; S335-D339 PolarHBondContact O-N 2.75Å
336	Y	85.6	Confident	79.6	Confident	66 Å²	66	67.6 Å²	67.6	26%	0.259	36%	0.361	S	S	.	.	H	α-helix	trans	-64.2	-44.8	175.8	171.3	-103.6	0	0	0	112.5	K44 V71 Q332 F333 I334 I338	K44-Y336 HydrophobicContact CB-CE1 3.73Å; K44-Y336 HydrophobicContact CD-CE1 4.34Å; K44-Y336 HydrophobicContact CG-CE1 4.27Å; K44-Y336 PolarHBondContact NZ-O 3.34Å; K44-Y336 VanDerWaalsContact O-CE1 3.31Å; K44-Y336 WeakPolarHBondContact O-CE1 3.44Å; K44-Y336 PolarHBondContact O-OH 2.73Å; V71-Y336 HydrophobicContact CG1-CD1 4.16Å; V71-Y336 HydrophobicContact CG1-CD2 4.3Å; V71-Y336 HydrophobicContact CG1-CG 3.81Å; V71-Y336 HydrophobicContact CG2-CD1 3.75Å; V71-Y336 HydrophobicContact CG2-CE1 4.16Å; V71-Y336 HydrophobicContact CG2-CG 4.27Å; Q332-Y336 PolarHBondContact O-N 3.42Å; F333-Y336 HydrophobicContact CD2-CD1 4.12Å; F333-Y336 HydrophobicContact CE2-CD1 4.24Å; F333-Y336 PolarHBondContact O-N 2.88Å; I334-Y336 VanDerWaalsContact C-N 3.32Å; I334-Y336 PolarHBondContact O-N 3.5Å; Y336-I338 VanDerWaalsContact C-N 3.34Å; Y336-I338 PolarHBondContact O-N 3.24Å
337	L	86	Confident	79.1	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-42.3	-179.8	-72.8	176.5	0	0	0	112	L41 K44 V45 F126 L130 F333 I334 D339 I355	L41-L337 HydrophobicContact CD2-CB 4.41Å; L41-L337 WeakPolarHBondContact CD2-O 3.11Å; K44-L337 HydrophobicContact CB-CD2 4.2Å; K44-L337 PolarHBondContact NZ-O 2.88Å; V45-L337 HydrophobicContact CG1-CD2 3.82Å; F126-L337 HydrophobicContact CZ-CD1 4.24Å; F126-L337 HydrophobicContact CZ-CD2 3.91Å; L130-L337 HydrophobicContact CD2-CD1 4.45Å; F333-L337 HydrophobicContact CD1-CD1 4.41Å; F333-L337 HydrophobicContact CD2-CD1 4.09Å; F333-L337 HydrophobicContact CD2-CD2 4.29Å; F333-L337 HydrophobicContact CD2-CG 3.8Å; F333-L337 HydrophobicContact CE1-CD1 4.09Å; F333-L337 HydrophobicContact CE2-CD1 3.82Å; F333-L337 HydrophobicContact CE2-CD2 3.6Å; F333-L337 HydrophobicContact CE2-CG 3.58Å; F333-L337 HydrophobicContact CG-CD1 4.4Å; F333-L337 HydrophobicContact CZ-CD1 3.82Å; F333-L337 HydrophobicContact CZ-CD2 4.05Å; F333-L337 HydrophobicContact CZ-CG 4.08Å; F333-L337 WeakPolarHBondContact O-CG 3.44Å; F333-L337 PolarHBondContact O-N 3.23Å; I334-L337 PolarHBondContact O-N 2.81Å; L337-D339 VanDerWaalsContact C-N 3.34Å; L337-D339 PolarHBondContact O-N 2.87Å; L337-I355 HydrophobicContact CD1-CD1 3.98Å; L337-I355 HydrophobicContact CD1-CG1 4.37Å
338	I	81.2	Confident	78.5	Confident	11 Å²	11	66.8 Å²	66.8	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-84	-9.7	-169.6	-64.1	167.7	0	0	0	113.5	I334 Y336 E340 F346 L351 K354	I334-I338 HydrophobicContact CG2-CD1 3.7Å; I334-I338 WeakPolarHBondContact O-CG1 3.22Å; I334-I338 PolarHBondContact O-N 3.26Å; I334-I338 VanDerWaalsContact O-N 3.1Å; Y336-I338 VanDerWaalsContact C-N 3.34Å; Y336-I338 PolarHBondContact O-N 3.24Å; I338-E340 HydrophobicContact CG2-CB 4.25Å; I338-E340 HydrophobicContact CG2-CG 4.18Å; I338-E340 PolarHBondContact O-N 3.32Å; I338-F346 HydrophobicContact CB-CE1 3.98Å; I338-F346 HydrophobicContact CB-CE2 4.37Å; I338-F346 HydrophobicContact CB-CZ 3.82Å; I338-F346 HydrophobicContact CD1-CB 4.41Å; I338-F346 HydrophobicContact CD1-CD1 3.72Å; I338-F346 HydrophobicContact CD1-CD2 3.77Å; I338-F346 HydrophobicContact CD1-CE1 3.88Å; I338-F346 HydrophobicContact CD1-CE2 3.91Å; I338-F346 HydrophobicContact CD1-CG 3.66Å; I338-F346 HydrophobicContact CD1-CZ 3.96Å; I338-F346 HydrophobicContact CG2-CD1 4Å; I338-F346 HydrophobicContact CG2-CE1 3.26Å; I338-F346 HydrophobicContact CG2-CZ 3.57Å; I338-L351 HydrophobicContact CD1-CD2 3.14Å; I338-L351 HydrophobicContact CG1-CD2 4.48Å; I338-K354 HydrophobicContact CG1-CD 4.23Å
339	D	71.2	Confident	77.8	Confident	119 Å²	119	71.3 Å²	71.3	64%	0.636	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	21.5	179	-139.5	46.6	0	0	0	114.3	K44 S335 L337	K44-D339 VanDerWaalsContact NZ-CB 3.31Å; K44-D339 IonicContact NZ-OD1 2.91Å; K44-D339 PolarHBondContact NZ-OD1 3.16Å; S335-D339 PolarHBondContact O-N 2.75Å; L337-D339 VanDerWaalsContact C-N 3.34Å; L337-D339 PolarHBondContact O-N 2.87Å
340	E	63.8	Low	77.1	Confident	84 Å²	84	74.2 Å²	74.2	39%	0.393	40%	0.401	S	S	.	.			trans	-117.5	67.9	178	-70.8	-179.2	-161.8	0	0	108.7	I338 N342 R343 F346	I338-E340 HydrophobicContact CG2-CB 4.25Å; I338-E340 HydrophobicContact CG2-CG 4.18Å; I338-E340 PolarHBondContact O-N 3.32Å; E340-N342 PolarHBondContact O-N 2.77Å; E340-R343 HydrophobicContact CB-CB 4.18Å; E340-R343 PolarHBondContact O-N 3.27Å; E340-R343 WeakPolarHBondContact OE2-CD 3.22Å; E340-R343 IonicContact OE2-NH1 2.75Å; E340-F346 HydrophobicContact CB-CE1 4.16Å; E340-F346 HydrophobicContact CB-CZ 3.92Å
341	S	55.1	Low	76.8	Confident	103 Å²	103	73.3 Å²	73.3	72%	0.72	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-17.1	-177.6	55.1	0	0	0	0	114.6
342	N	56	Low	76.7	Confident	156 Å²	156	69.9 Å²	69.9	83%	0.834	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.5	-178.5	-63.3	-31.1	0	0	0	114	E340	E340-N342 PolarHBondContact O-N 2.77Å
343	R	64.2	Low	76.2	Confident	89 Å²	89	67.8 Å²	67.8	34%	0.336	37%	0.365	S	S	.	.			trans	-106.6	109.3	-177.7	-168.1	175.9	165.8	-174.6	-4.9	110.3	E340 Q345 F346 E350	E340-R343 HydrophobicContact CB-CB 4.18Å; E340-R343 PolarHBondContact O-N 3.27Å; E340-R343 WeakPolarHBondContact OE2-CD 3.22Å; E340-R343 IonicContact OE2-NH1 2.75Å; R343-Q345 VanDerWaalsContact C-N 3.34Å; R343-Q345 PolarHBondContact NE-O 3.06Å; R343-Q345 PolarHBondContact O-N 2.96Å; R343-F346 HydrophobicContact CB-CE1 4.33Å; R343-F346 HydrophobicContact CB-CZ 4.11Å; R343-F346 HydrophobicContact CG-CE1 4.35Å; R343-F346 HydrophobicContact CG-CZ 4.47Å; R343-E350 IonicContact CZ-OE1 3.83Å; R343-E350 VanDerWaalsContact CZ-OE1 3.24Å; R343-E350 IonicContact CZ-OE2 3.24Å; R343-E350 IonicContact NH1-OE1 2.87Å; R343-E350 PolarHBondContact NH1-OE1 2.85Å; R343-E350 IonicContact NH1-OE2 3.59Å; R343-E350 IonicContact NH2-OE1 2.67Å; R343-E350 PolarHBondContact NH2-OE1 3.23Å; R343-E350 IonicContact NH2-OE2 2.89Å; R343-E350 PolarHBondContact NH2-OE2 2.87Å
344	L	58.8	Low	75.5	Confident	170 Å²	170	71.3 Å²	71.3	89%	0.89	38%	0.38	S	S	*	.			trans	-75.7	-17.8	-174.5	-72.8	162.8	0	0	0	114.3
345	Q	69.5	Low	75.3	Confident	160 Å²	160	71 Å²	71	75%	0.748	38%	0.379	S	S	*	.			trans	-141.3	124.2	-176.2	-69.6	-177.3	-10	0	0	111.3	R343	R343-Q345 VanDerWaalsContact C-N 3.34Å; R343-Q345 PolarHBondContact NE-O 3.06Å; R343-Q345 PolarHBondContact O-N 2.96Å
346	F	74	Confident	75.7	Confident	27 Å²	27	69.2 Å²	69.2	12%	0.118	37%	0.366	C	S	.	.			trans	-106	141.9	169.1	-60.6	-81.4	0	0	0	108.2	I334 I338 E340 R343 L351	I334-F346 HydrophobicContact CG2-CD2 3.55Å; I334-F346 HydrophobicContact CG2-CE2 4.01Å; I334-F346 HydrophobicContact CG2-CG 4.38Å; I338-F346 HydrophobicContact CB-CE1 3.98Å; I338-F346 HydrophobicContact CB-CE2 4.37Å; I338-F346 HydrophobicContact CB-CZ 3.82Å; I338-F346 HydrophobicContact CD1-CB 4.41Å; I338-F346 HydrophobicContact CD1-CD1 3.72Å; I338-F346 HydrophobicContact CD1-CD2 3.77Å; I338-F346 HydrophobicContact CD1-CE1 3.88Å; I338-F346 HydrophobicContact CD1-CE2 3.91Å; I338-F346 HydrophobicContact CD1-CG 3.66Å; I338-F346 HydrophobicContact CD1-CZ 3.96Å; I338-F346 HydrophobicContact CG2-CD1 4Å; I338-F346 HydrophobicContact CG2-CE1 3.26Å; I338-F346 HydrophobicContact CG2-CZ 3.57Å; E340-F346 HydrophobicContact CB-CE1 4.16Å; E340-F346 HydrophobicContact CB-CZ 3.92Å; R343-F346 HydrophobicContact CB-CE1 4.33Å; R343-F346 HydrophobicContact CB-CZ 4.11Å; R343-F346 HydrophobicContact CG-CE1 4.35Å; R343-F346 HydrophobicContact CG-CZ 4.47Å; F346-L351 HydrophobicContact CB-CD1 4.09Å; F346-L351 HydrophobicContact CB-CD2 3.49Å; F346-L351 VanDerWaalsContact CB-CD2 3.49Å; F346-L351 HydrophobicContact CB-CG 3.72Å; F346-L351 HydrophobicContact CD2-CD2 4.36Å; F346-L351 HydrophobicContact CG-CD2 3.93Å
347	T	82.1	Confident	76.2	Confident	76 Å²	76	66.9 Å²	66.9	47%	0.466	36%	0.357	S	S	.	.			trans	-76	149.5	171.6	62.2	0	0	0	0	109.7	S349 E350 L351	T347-S349 PolarHBondContact O-N 2.9Å; T347-S349 VanDerWaalsContact O-N 3.12Å; T347-E350 WeakPolarHBondContact CB-OE2 3.17Å; T347-E350 PolarHBondContact N-OE2 2.66Å; T347-E350 WeakPolarHBondContact O-CB 3.35Å; T347-E350 PolarHBondContact O-N 3.1Å; T347-E350 VanDerWaalsContact OG1-CD 3.31Å; T347-E350 VanDerWaalsContact OG1-CG 3.29Å; T347-E350 WeakPolarHBondContact OG1-CG 3.33Å; T347-E350 PolarHBondContact OG1-N 3.16Å; T347-E350 PolarHBondContact OG1-OE2 3.34Å; T347-L351 WeakPolarHBondContact O-CG 3.42Å; T347-L351 PolarHBondContact O-N 2.75Å; T347-L351 VanDerWaalsContact O-N 3.11Å
348	D	81.3	Confident	76.7	Confident	68 Å²	68	66.8 Å²	66.8	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-54.8	-34.3	176	-67.1	-26.2	0	0	0	112.4	S324 S326 E350 L351 D352	S324-D348 WeakPolarHBondContact CB-OD1 3.41Å; S326-D348 PolarHBondContact OG-OD1 2.73Å; S326-D348 VanDerWaalsContact OG-OD1 3.12Å; D348-E350 VanDerWaalsContact C-N 3.3Å; D348-E350 PolarHBondContact O-N 3.05Å; D348-L351 PolarHBondContact O-N 2.71Å; D348-D352 VanDerWaalsContact O-CB 3.32Å; D348-D352 WeakPolarHBondContact O-CB 3.43Å; D348-D352 PolarHBondContact O-N 3.05Å
349	S	81.3	Confident	77.5	Confident	94 Å²	94	66.2 Å²	66.2	66%	0.657	35%	0.354	S	S	*	.	H	α-helix	trans	-64.1	-32.3	175.7	-178.7	0	0	0	0	113.4	T347	T347-S349 PolarHBondContact O-N 2.9Å; T347-S349 VanDerWaalsContact O-N 3.12Å
350	E	80.9	Confident	78.8	Confident	66 Å²	66	60.6 Å²	60.6	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-75.3	-40.9	175.6	-72.2	163.8	128	0	0	110.7	R343 T347 D348 S353	R343-E350 IonicContact CZ-OE1 3.83Å; R343-E350 VanDerWaalsContact CZ-OE1 3.24Å; R343-E350 IonicContact CZ-OE2 3.24Å; R343-E350 IonicContact NH1-OE1 2.87Å; R343-E350 PolarHBondContact NH1-OE1 2.85Å; R343-E350 IonicContact NH1-OE2 3.59Å; R343-E350 IonicContact NH2-OE1 2.67Å; R343-E350 PolarHBondContact NH2-OE1 3.23Å; R343-E350 IonicContact NH2-OE2 2.89Å; R343-E350 PolarHBondContact NH2-OE2 2.87Å; T347-E350 WeakPolarHBondContact CB-OE2 3.17Å; T347-E350 PolarHBondContact N-OE2 2.66Å; T347-E350 WeakPolarHBondContact O-CB 3.35Å; T347-E350 PolarHBondContact O-N 3.1Å; T347-E350 VanDerWaalsContact OG1-CD 3.31Å; T347-E350 VanDerWaalsContact OG1-CG 3.29Å; T347-E350 WeakPolarHBondContact OG1-CG 3.33Å; T347-E350 PolarHBondContact OG1-N 3.16Å; T347-E350 PolarHBondContact OG1-OE2 3.34Å; D348-E350 VanDerWaalsContact C-N 3.3Å; D348-E350 PolarHBondContact O-N 3.05Å; E350-S353 PolarHBondContact O-OG 2.94Å
351	L	85.4	Confident	80.5	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-42.1	-179.9	-61.6	-176.8	0	0	0	112.2	P325 I334 I338 F346 T347 D348 S353 K354 I355	P325-L351 HydrophobicContact CB-CB 3.66Å; P325-L351 HydrophobicContact CB-CD1 3.85Å; P325-L351 HydrophobicContact CB-CG 4.34Å; P325-L351 HydrophobicContact CG-CB 3.58Å; P325-L351 HydrophobicContact CG-CD1 4.44Å; I334-L351 HydrophobicContact CD1-CD1 4.29Å; I334-L351 HydrophobicContact CG2-CD1 4.39Å; I334-L351 HydrophobicContact CG2-CD2 3.69Å; I338-L351 HydrophobicContact CD1-CD2 3.14Å; I338-L351 HydrophobicContact CG1-CD2 4.48Å; F346-L351 HydrophobicContact CB-CD1 4.09Å; F346-L351 HydrophobicContact CB-CD2 3.49Å; F346-L351 VanDerWaalsContact CB-CD2 3.49Å; F346-L351 HydrophobicContact CB-CG 3.72Å; F346-L351 HydrophobicContact CD2-CD2 4.36Å; F346-L351 HydrophobicContact CG-CD2 3.93Å; T347-L351 WeakPolarHBondContact O-CG 3.42Å; T347-L351 PolarHBondContact O-N 2.75Å; T347-L351 VanDerWaalsContact O-N 3.11Å; D348-L351 PolarHBondContact O-N 2.71Å; L351-S353 VanDerWaalsContact C-N 3.26Å; L351-S353 PolarHBondContact O-N 2.67Å; L351-K354 PolarHBondContact O-N 3.23Å; L351-I355 HydrophobicContact CD2-CD1 4.12Å; L351-I355 WeakPolarHBondContact O-CB 3.46Å; L351-I355 PolarHBondContact O-N 2.7Å
352	D	85.3	Confident	82.5	Confident	23 Å²	23	52 Å²	52	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-49.3	-49	177	170.6	52	0	0	0	111.7	P296 L297 D348 K354 G356 H357	P296-D352 WeakPolarHBondContact CA-OD1 3.41Å; L297-D352 WeakPolarHBondContact CB-OD1 3.46Å; L297-D352 WeakPolarHBondContact CB-OD2 3.24Å; L297-D352 HydrophobicContact CD1-CB 4.22Å; L297-D352 HydrophobicContact CG-CB 4.44Å; L297-D352 VanDerWaalsContact CG-CG 3.48Å; L297-D352 VanDerWaalsContact CG-OD1 3.26Å; L297-D352 WeakPolarHBondContact CG-OD1 3.48Å; L297-D352 PolarHBondContact N-OD1 3.49Å; D348-D352 VanDerWaalsContact O-CB 3.32Å; D348-D352 WeakPolarHBondContact O-CB 3.43Å; D348-D352 PolarHBondContact O-N 3.05Å; D352-K354 PolarHBondContact O-N 3.12Å; D352-G356 PolarHBondContact O-N 2.67Å; D352-H357 IonicContact OD1-CD2 3.54Å; D352-H357 PolarHBondContact OD1-CD2 3.2Å; D352-H357 IonicContact OD1-NE2 2.65Å
353	S	74.8	Confident	84.5	Confident	59 Å²	59	45.1 Å²	45.1	41%	0.413	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.3	-175.8	73.8	0	0	0	0	114.3	N5 E350 L351	N5-S353 PolarHBondContact ND2-O 2.94Å; E350-S353 PolarHBondContact O-OG 2.94Å; L351-S353 VanDerWaalsContact C-N 3.26Å; L351-S353 PolarHBondContact O-N 2.67Å
354	K	76.1	Confident	86	Confident	76 Å²	76	43.6 Å²	43.6	33%	0.33	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-39.4	-174.6	-67.9	-175.6	179.7	-176	0	113.3	L41 F126 I338 L351 D352	L41-K354 HydrophobicContact CD1-CB 4.07Å; L41-K354 WeakPolarHBondContact CD1-O 3.47Å; F126-K354 WeakPolarHBondContact CD1-O 3.16Å; I338-K354 HydrophobicContact CG1-CD 4.23Å; L351-K354 PolarHBondContact O-N 3.23Å; D352-K354 PolarHBondContact O-N 3.12Å
355	I	84.9	Confident	87.1	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.015	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-45.9	-165.5	-59.8	-179.8	0	0	0	110.5	F126 L130 P325 Y328 L329 L337 L351	F126-I355 HydrophobicContact CE1-CG1 4.37Å; L130-I355 HydrophobicContact CD1-CB 4.46Å; L130-I355 HydrophobicContact CD1-CG2 3.61Å; P325-I355 HydrophobicContact CB-CG2 4.28Å; Y328-I355 VanDerWaalsContact OH-CG2 3.28Å; Y328-I355 WeakPolarHBondContact OH-CG2 3.39Å; L329-I355 HydrophobicContact CD1-CD1 3.86Å; L329-I355 HydrophobicContact CD1-CG2 3.49Å; L329-I355 VanDerWaalsContact CD1-CG2 3.49Å; L337-I355 HydrophobicContact CD1-CD1 3.98Å; L337-I355 HydrophobicContact CD1-CG1 4.37Å; L351-I355 HydrophobicContact CD2-CD1 4.12Å; L351-I355 WeakPolarHBondContact O-CB 3.46Å; L351-I355 PolarHBondContact O-N 2.7Å
356	G	91.6	Very high	87.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.			trans	86.1	168.7	-172.7	0	0	0	0	0	114	S295 P325 Y328 D352	S295-G356 CarbonylContact O-C 3.55Å; S295-G356 WeakPolarHBondContact O-CA 3.48Å; P325-G356 VanDerWaalsContact CG-O 3.32Å; P325-G356 WeakPolarHBondContact CG-O 3.34Å; Y328-G356 PolarHBondContact OH-O 2.84Å; D352-G356 PolarHBondContact O-N 2.67Å
357	H	96	Very high	88.7	Confident	17 Å²	17	37.3 Å²	37.3	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	156.8	-177.3	-69.8	-111.1	0	0	0	111.4	I294 S295 L302 L322 D352	I294-H357 WeakPolarHBondContact CA-O 3.34Å; S295-H357 PolarHBondContact N-O 2.86Å; S295-H357 PolarHBondContact O-N 3.32Å; L302-H357 HydrophobicContact CD2-CB 4.45Å; L322-H357 HydrophobicContact CD1-CB 3.65Å; L322-H357 HydrophobicContact CG-CB 4.46Å; D352-H357 IonicContact OD1-CD2 3.54Å; D352-H357 PolarHBondContact OD1-CD2 3.2Å; D352-H357 IonicContact OD1-NE2 2.65Å
358	L	97.8	Very high	89	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.6	169.9	179	72.8	0	0	0	109.6	L144 L292 A293 I294 I323 Y328	L144-L358 HydrophobicContact CB-CD2 3.94Å; L144-L358 HydrophobicContact CD1-CD1 3.99Å; L144-L358 HydrophobicContact CG-CD1 4.24Å; L144-L358 HydrophobicContact CG-CD2 4.19Å; L292-L358 HydrophobicContact CD1-CD1 3.69Å; L292-L358 HydrophobicContact CD1-CD2 4.35Å; L292-L358 HydrophobicContact CD1-CG 4.2Å; L292-L358 HydrophobicContact CD2-CD1 4.44Å; L292-L358 HydrophobicContact CG-CD1 3.88Å; A293-L358 CarbonylContact O-C 3.55Å; A293-L358 WeakPolarHBondContact O-CA 3.26Å; I294-L358 HydrophobicContact CG1-CD1 3.98Å; I323-L358 HydrophobicContact CB-CB 4.09Å; I323-L358 HydrophobicContact CD1-CD2 3.93Å; I323-L358 HydrophobicContact CD1-CG 4.42Å; I323-L358 PolarHBondContact N-O 2.99Å; I323-L358 PolarHBondContact O-N 3.3Å; Y328-L358 HydrophobicContact CD1-CB 3.41Å; Y328-L358 VanDerWaalsContact CD1-CB 3.41Å; Y328-L358 HydrophobicContact CD1-CD2 4.49Å; Y328-L358 HydrophobicContact CD2-CB 4.33Å; Y328-L358 HydrophobicContact CD2-CD2 4.49Å; Y328-L358 HydrophobicContact CE1-CB 3.76Å; Y328-L358 HydrophobicContact CG-CB 3.74Å; Y328-L358 HydrophobicContact CG-CD2 4.02Å; Y328-L358 HydrophobicContact CG-CG 4.46Å
359	I	98.2	Very high	89.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.6	175.6	-58.5	84.7	0	0	0	107.4	F266 F291 L292 A293 L302 I306 K321 L322 F361	F266-I359 HydrophobicContact CE2-CD1 3.97Å; F266-I359 HydrophobicContact CE2-CG1 4.47Å; F291-I359 HydrophobicContact CE1-CG2 4.24Å; L292-I359 CarbonylContact C-O 3.52Å; L292-I359 WeakPolarHBondContact CA-O 3.38Å; A293-I359 HydrophobicContact CB-CB 4.29Å; A293-I359 HydrophobicContact CB-CD1 4.3Å; A293-I359 PolarHBondContact N-O 2.98Å; A293-I359 WeakPolarHBondContact O-CD1 3.33Å; A293-I359 PolarHBondContact O-N 3.33Å; L302-I359 HydrophobicContact CD1-CD1 4.04Å; L302-I359 HydrophobicContact CD1-CG1 4.02Å; L302-I359 HydrophobicContact CD2-CD1 4.11Å; I306-I359 HydrophobicContact CD1-CB 4.43Å; I306-I359 HydrophobicContact CD1-CG1 3.97Å; I306-I359 HydrophobicContact CD1-CG2 3.6Å; K321-I359 WeakPolarHBondContact O-CA 3.32Å; L322-I359 HydrophobicContact CD1-CG1 4.03Å; I359-F361 HydrophobicContact CG2-CD1 3.98Å; I359-F361 HydrophobicContact CG2-CE1 3.34Å; I359-F361 HydrophobicContact CG2-CZ 3.71Å
360	A	98.4	Very high	90	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124	172.1	0	0	0	0	0	110.8	F291 L292 K321	F291-A360 CarbonylContact O-C 3.59Å; F291-A360 VanDerWaalsContact O-CA 3.29Å; F291-A360 WeakPolarHBondContact O-CA 3.22Å; L292-A360 HydrophobicContact CD1-CB 4.21Å; K321-A360 HydrophobicContact CB-CB 4.39Å; K321-A360 PolarHBondContact N-O 3.15Å; K321-A360 PolarHBondContact O-N 2.93Å
361	F	98.4	Very high	90.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.2	166.4	-46.5	-28.9	0	0	0	108.9	L276 I279 T290 F291 F305 I306 A309 W318 T319 V320 I359	L276-F361 HydrophobicContact CD2-CD2 4.48Å; L276-F361 HydrophobicContact CD2-CE2 3.66Å; L276-F361 HydrophobicContact CD2-CZ 4.26Å; I279-F361 HydrophobicContact CD1-CE2 4.28Å; T290-F361 CarbonylContact C-O 3.58Å; T290-F361 VanDerWaalsContact CA-O 3.29Å; T290-F361 WeakPolarHBondContact CA-O 3.38Å; F291-F361 HydrophobicContact CB-CB 4.15Å; F291-F361 HydrophobicContact CB-CD2 4.23Å; F291-F361 HydrophobicContact CB-CG 4.49Å; F291-F361 HydrophobicContact CD1-CB 4.45Å; F291-F361 AromaticContact CD1-CD2 3.42Å; F291-F361 HydrophobicContact CD1-CD2 3.42Å; F291-F361 VanDerWaalsContact CD1-CD2 3.42Å; F291-F361 AromaticContact CD1-CE2 3.7Å; F291-F361 HydrophobicContact CD1-CE2 3.7Å; F291-F361 AromaticContact CD1-CG 3.92Å; F291-F361 HydrophobicContact CD1-CG 3.92Å; F291-F361 HydrophobicContact CD1-CZ 4.41Å; F291-F361 HydrophobicContact CE1-CD2 4.1Å; F291-F361 AromaticContact CE1-CE2 3.89Å; F291-F361 HydrophobicContact CE1-CE2 3.89Å; F291-F361 HydrophobicContact CE1-CZ 4.41Å; F291-F361 HydrophobicContact CG-CD2 4.09Å; F291-F361 PolarHBondContact N-O 3.11Å; F291-F361 PolarHBondContact O-N 3.43Å; F305-F361 HydrophobicContact CD1-CZ 4.27Å; F305-F361 AromaticContact CE1-CE2 3.77Å; F305-F361 HydrophobicContact CE1-CE2 3.77Å; F305-F361 AromaticContact CE1-CZ 3.52Å; F305-F361 HydrophobicContact CE1-CZ 3.52Å; F305-F361 HydrophobicContact CZ-CE2 4.02Å; F305-F361 HydrophobicContact CZ-CZ 4.2Å; I306-F361 HydrophobicContact CD1-CE1 3.85Å; I306-F361 HydrophobicContact CD1-CZ 4.06Å; A309-F361 HydrophobicContact CB-CE1 3.86Å; A309-F361 HydrophobicContact CB-CE2 4.12Å; A309-F361 HydrophobicContact CB-CZ 3.55Å; W318-F361 HydrophobicContact CD2-CB 4.21Å; W318-F361 HydrophobicContact CE3-CB 4.19Å; W318-F361 HydrophobicContact CE3-CD2 4.15Å; W318-F361 HydrophobicContact CE3-CG 4.33Å; W318-F361 HydrophobicContact CG-CB 4.44Å; W318-F361 HydrophobicContact CH2-CD2 4.48Å; W318-F361 AromaticContact CZ3-CD2 3.95Å; W318-F361 HydrophobicContact CZ3-CD2 3.95Å; T319-F361 CarbonylContact O-C 3.54Å; T319-F361 VanDerWaalsContact O-CA 3.24Å; T319-F361 WeakPolarHBondContact O-CA 3.45Å; V320-F361 HydrophobicContact CB-CD1 4.17Å; V320-F361 HydrophobicContact CB-CE1 4.44Å; V320-F361 HydrophobicContact CG1-CD1 3.87Å; V320-F361 HydrophobicContact CG1-CE1 3.66Å; V320-F361 HydrophobicContact CG2-CD1 3.87Å; V320-F361 HydrophobicContact CG2-CE1 4.27Å; V320-F361 HydrophobicContact CG2-CG 4.46Å; I359-F361 HydrophobicContact CG2-CD1 3.98Å; I359-F361 HydrophobicContact CG2-CE1 3.34Å; I359-F361 HydrophobicContact CG2-CZ 3.71Å
362	T	98.2	Very high	91	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.043	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.5	-173.7	-57.9	0	0	0	0	110.9	N151 S289 T290 W318 T319	N151-T362 HydrophobicContact CB-CG2 4.23Å; N151-T362 PolarHBondContact ND2-OG1 3.46Å; S289-T362 WeakPolarHBondContact O-CA 3.5Å; T290-T362 PolarHBondContact OG1-OG1 3.22Å; W318-T362 CarbonylContact C-O 3.49Å; W318-T362 VanDerWaalsContact CA-O 3.24Å; W318-T362 WeakPolarHBondContact CA-O 3.24Å; T319-T362 PolarHBondContact N-O 2.78Å; T319-T362 PolarHBondContact O-N 2.61Å
363	R	97.6	Very high	91.4	Very high	12 Å²	12	29.2 Å²	29.2	5%	0.045	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	134.2	172.7	-76	-78.9	-168.5	-156.2	-2.2	111.2	N280 L283 S284 Q286 G288 S289 Y316 S317	N280-R363 PolarHBondContact O-NH2 3.17Å; N280-R363 VanDerWaalsContact OD1-CZ 3.29Å; N280-R363 PolarHBondContact OD1-NH1 2.81Å; N280-R363 PolarHBondContact OD1-NH2 2.71Å; L283-R363 HydrophobicContact CD2-CG 3.93Å; L283-R363 HydrophobicContact CG-CG 4.44Å; S284-R363 WeakPolarHBondContact O-CG 3.23Å; S284-R363 PolarHBondContact O-NE 3.26Å; Q286-R363 WeakPolarHBondContact O-CB 3.38Å; G288-R363 PolarHBondContact N-O 3.41Å; S289-R363 PolarHBondContact O-N 3.02Å; Y316-R363 PolarHBondContact O-NH1 3.27Å; S317-R363 WeakPolarHBondContact O-CA 3.18Å
364	T	95.1	Very high	92.8	Very high	56 Å²	56	26.8 Å²	26.8	34%	0.344	14%	0.138	S	C	.	.			trans	-100.6	-22.6	-179.4	62.2	0	0	0	0	114	S287 S317 T319	S287-T364 VanDerWaalsContact OG-C 3.3Å; S287-T364 PolarHBondContact OG-O 3.31Å; S317-T364 PolarHBondContact O-N 3.27Å; S317-T364 PolarHBondContact O-OG1 2.81Å; T319-T364 HydrophobicContact CG2-CG2 3.5Å
365	N	81.4	Confident	94.3	Very high	150 Å²	150	22.3 Å²	22.3	80%	0.802	12%	0.121	S	C	*	.			trans	-130	0	-167.4	-59.2	-9.6	0	0	0	111.4

Retrieved 365 of 365 residues in 146.5 ms (Link to these results)

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