A0A5K4FD36_SCHMA Loading...

P2X purinoceptor

AlphaFold DB , UniProt , Accession A0A5K4FD36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 479 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	69.5	Low	83.8	Confident	236 Å²	236	134.4 Å²	134.4	100%	1.163	68%	0.675	S	S	*	*				0	128.3	0	-91.8	174.6	151	0	0	108.7
2	P	83.4	Confident	84.2	Confident	114 Å²	114	125.8 Å²	125.8	74%	0.74	63%	0.633	S	S	*	*			trans	-67.4	148.3	172.6	29.3	-33.4	0	0	0	110.5	V4	P2-V4 PolarHBondContact O-N 3.31Å
3	R	84.1	Confident	84.5	Confident	254 Å²	254	120.2 Å²	120.2	96%	0.958	62%	0.617	S	S	*	*			trans	-71.6	124.9	168.8	-69.6	-177.2	177.1	178.8	-0.5	108.1
4	V	85	Confident	85.1	Confident	104 Å²	104	119 Å²	119	63%	0.63	61%	0.611	S	S	*	*			trans	-106.8	132.4	-176.1	-177	0	0	0	0	109.9	P2	P2-V4 PolarHBondContact O-N 3.31Å
5	V	85.2	Confident	85.5	Confident	63 Å²	63	114.9 Å²	114.9	38%	0.382	59%	0.59	S	S	.	*			trans	-93.3	120	175.8	179.1	0	0	0	0	109.5	I7 V467 I468	V5-I7 HydrophobicContact CG1-CG1 4.14Å; V5-V467 HydrophobicContact CG1-CG1 3.69Å; V5-V467 HydrophobicContact CG2-CG1 4.33Å; V5-I468 HydrophobicContact CB-CG1 4.32Å; V5-I468 HydrophobicContact CG1-CG1 4.29Å; V5-I468 HydrophobicContact CG2-CG1 4.23Å
6	H	85.9	Confident	86	Confident	164 Å²	164	110.2 Å²	110.2	76%	0.759	57%	0.565	S	S	*	*			trans	-91.9	107.7	176.4	-69.9	-78.3	0	0	0	111.5
7	I	84.4	Confident	86.5	Confident	54 Å²	54	113.7 Å²	113.7	28%	0.277	57%	0.57	S	S	.	*			trans	-95.3	112.9	178.5	-56.8	171.2	0	0	0	110.3	V5 K9 L12 L454 Y464 I468	V5-I7 HydrophobicContact CG1-CG1 4.14Å; I7-K9 HydrophobicContact CG2-CB 4.38Å; I7-K9 PolarHBondContact O-N 3.01Å; I7-L12 HydrophobicContact CG2-CD2 4.3Å; I7-L454 HydrophobicContact CD1-CD1 4.36Å; I7-L454 HydrophobicContact CD1-CD2 3.46Å; I7-L454 VanDerWaalsContact CD1-CD2 3.46Å; I7-Y464 HydrophobicContact CD1-CD1 3.95Å; I7-Y464 HydrophobicContact CD1-CE1 4.12Å; I7-Y464 HydrophobicContact CG1-CD1 4.43Å; I7-Y464 HydrophobicContact CG1-CE1 4.3Å; I7-Y464 HydrophobicContact CG2-CE1 3.68Å; I7-I468 HydrophobicContact CD1-CD1 4.13Å
8	R	83.1	Confident	87	Confident	248 Å²	248	113.4 Å²	113.4	94%	0.936	57%	0.57	S	S	*	*			trans	-89.5	75.8	176.2	-64.4	-176	-179.7	-178	0.1	111.4
9	K	86.3	Confident	87.4	Confident	85 Å²	85	109.2 Å²	109.2	37%	0.37	55%	0.548	S	S	.	.			trans	-125.1	120.9	168	-95.5	-162.8	175.5	-179.7	0	110.8	I7 G11 L12 A13 Y464	I7-K9 HydrophobicContact CG2-CB 4.38Å; I7-K9 PolarHBondContact O-N 3.01Å; K9-G11 PolarHBondContact O-N 2.95Å; K9-L12 HydrophobicContact CB-CB 4.26Å; K9-L12 PolarHBondContact O-N 3.14Å; K9-A13 PolarHBondContact O-N 3.17Å; K9-A13 VanDerWaalsContact O-N 3.09Å; K9-Y464 VanDerWaalsContact CD-OH 3.25Å; K9-Y464 WeakPolarHBondContact CD-OH 3.28Å; K9-Y464 WeakPolarHBondContact CE-OH 3.31Å
10	P	87.4	Confident	87.8	Confident	104 Å²	104	105.8 Å²	105.8	68%	0.675	53%	0.53	S	S	*	.	H	α-helix	trans	-63.4	-41.7	-174	24	-33	0	0	0	112.8	L12 A13 I14	P10-L12 PolarHBondContact O-N 3.12Å; P10-A13 PolarHBondContact O-N 3.27Å; P10-I14 VanDerWaalsContact O-CG1 3.32Å; P10-I14 WeakPolarHBondContact O-CG1 3.34Å; P10-I14 PolarHBondContact O-N 3.43Å
11	G	87.9	Confident	88.1	Confident	52 Å²	52	107.1 Å²	107.1	54%	0.536	53%	0.533	S	S	.	.	H	α-helix	trans	-61.5	-39	179.1	0	0	0	0	0	113.9	K9 L15	K9-G11 PolarHBondContact O-N 2.95Å; G11-L15 WeakPolarHBondContact O-CB 3.41Å; G11-L15 PolarHBondContact O-N 3.14Å; G11-L15 VanDerWaalsContact O-N 3.08Å
12	L	87.7	Confident	89.3	Confident	32 Å²	32	97.7 Å²	97.7	17%	0.168	50%	0.497	C	S	.	.	H	α-helix	trans	-71.9	-38	177	-169.6	73	0	0	0	111.4	I7 K9 P10 L15 H16 L454	I7-L12 HydrophobicContact CG2-CD2 4.3Å; K9-L12 HydrophobicContact CB-CB 4.26Å; K9-L12 PolarHBondContact O-N 3.14Å; P10-L12 PolarHBondContact O-N 3.12Å; L12-L15 HydrophobicContact CD1-CD2 4.43Å; L12-L15 PolarHBondContact O-N 2.85Å; L12-H16 WeakPolarHBondContact O-CB 3.15Å; L12-H16 PolarHBondContact O-N 3.38Å; L12-L454 HydrophobicContact CD2-CD1 3.91Å
13	A	89.2	Confident	89.9	Confident	52 Å²	52	93.7 Å²	93.7	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-43.7	175.8	0	0	0	0	0	111.7	K9 P10 H16 R17	K9-A13 PolarHBondContact O-N 3.17Å; K9-A13 VanDerWaalsContact O-N 3.09Å; P10-A13 PolarHBondContact O-N 3.27Å; A13-H16 PolarHBondContact O-N 3.2Å; A13-R17 VanDerWaalsContact O-CG 3.31Å; A13-R17 WeakPolarHBondContact O-CG 3.25Å; A13-R17 PolarHBondContact O-N 3.32Å
14	I	92.5	Very high	90.4	Very high	104 Å²	104	85.3 Å²	85.3	53%	0.533	44%	0.443	S	S	.	.	H	α-helix	trans	-60.4	-48.3	175.1	-67.8	165.2	0	0	0	110	P10 H16 R17 L18	P10-I14 VanDerWaalsContact O-CG1 3.32Å; P10-I14 WeakPolarHBondContact O-CG1 3.34Å; P10-I14 PolarHBondContact O-N 3.43Å; I14-H16 PolarHBondContact O-N 3.16Å; I14-R17 PolarHBondContact O-N 2.9Å; I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.26Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.04Å
15	L	91.5	Very high	90.9	Very high	57 Å²	57	82.5 Å²	82.5	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-58.1	-47.6	177.6	178	67.5	0	0	0	112.4	G11 L12 R17 L18 I19 I453	G11-L15 WeakPolarHBondContact O-CB 3.41Å; G11-L15 PolarHBondContact O-N 3.14Å; G11-L15 VanDerWaalsContact O-N 3.08Å; L12-L15 HydrophobicContact CD1-CD2 4.43Å; L12-L15 PolarHBondContact O-N 2.85Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.31Å; L15-L18 PolarHBondContact O-N 3.15Å; L15-I19 HydrophobicContact CD1-CD1 4.17Å; L15-I19 HydrophobicContact CD1-CG1 4.5Å; L15-I19 HydrophobicContact CG-CD1 4.06Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.36Å; L15-I453 HydrophobicContact CD2-CB 4.45Å; L15-I453 HydrophobicContact CD2-CD1 3.79Å; L15-I453 HydrophobicContact CD2-CG2 3.83Å
16	H	92.8	Very high	91.4	Very high	40 Å²	40	85.1 Å²	85.1	19%	0.185	43%	0.429	C	S	.	.	H	α-helix	trans	-58.4	-42.8	177.7	-173.5	69.8	0	0	0	112.1	L12 A13 I14 Q20 S446 T450	L12-H16 WeakPolarHBondContact O-CB 3.15Å; L12-H16 PolarHBondContact O-N 3.38Å; A13-H16 PolarHBondContact O-N 3.2Å; I14-H16 PolarHBondContact O-N 3.16Å; H16-Q20 PolarHBondContact NE2-NE2 2.7Å; H16-Q20 WeakPolarHBondContact O-CG 3.41Å; H16-Q20 PolarHBondContact O-N 3.41Å; H16-S446 PolarHBondContact CE1-OG 2.99Å; H16-S446 PolarHBondContact ND1-OG 3.32Å; H16-S446 VanDerWaalsContact ND1-OG 3.16Å; H16-S446 PolarHBondContact O-OG 3.09Å; H16-T450 HydrophobicContact CB-CG2 3.74Å; H16-T450 WeakPolarHBondContact ND1-CG2 3.15Å; H16-T450 PolarHBondContact ND1-OG1 3.23Å
17	R	94.3	Very high	91.9	Very high	170 Å²	170	78.1 Å²	78.1	64%	0.642	40%	0.397	S	S	*	.	H	α-helix	trans	-70.1	-36.3	177.6	-68.5	-58.7	-171	-175.6	5.8	112.7	A13 I14 L15 Q20 F21	A13-R17 VanDerWaalsContact O-CG 3.31Å; A13-R17 WeakPolarHBondContact O-CG 3.25Å; A13-R17 PolarHBondContact O-N 3.32Å; I14-R17 PolarHBondContact O-N 2.9Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.31Å; R17-Q20 PolarHBondContact O-N 2.98Å; R17-F21 VanDerWaalsContact O-CB 3.28Å; R17-F21 WeakPolarHBondContact O-CB 3.44Å; R17-F21 PolarHBondContact O-N 3.22Å
18	L	95.1	Very high	92.4	Very high	109 Å²	109	79.7 Å²	79.7	57%	0.571	41%	0.405	S	S	*	.	H	α-helix	trans	-63.8	-43.5	174.3	-75.1	175.3	0	0	0	111.7	I14 L15 F21 G22	I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.26Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.04Å; L15-L18 PolarHBondContact O-N 3.15Å; L18-F21 PolarHBondContact O-N 3.47Å; L18-G22 PolarHBondContact O-N 3.35Å
19	I	94.4	Very high	93	Very high	32 Å²	32	72.2 Å²	72.2	16%	0.164	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-46.2	176.2	-63.9	161.6	0	0	0	110.3	L15 F21 G22 I23 I449 T450	L15-I19 HydrophobicContact CD1-CD1 4.17Å; L15-I19 HydrophobicContact CD1-CG1 4.5Å; L15-I19 HydrophobicContact CG-CD1 4.06Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.36Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 3.28Å; I19-G22 PolarHBondContact O-N 3.27Å; I19-I23 HydrophobicContact CG2-CD1 3.86Å; I19-I23 HydrophobicContact CG2-CG1 4.5Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 2.97Å; I19-I449 HydrophobicContact CD1-CB 4.32Å; I19-I449 HydrophobicContact CD1-CG2 3.67Å; I19-I449 HydrophobicContact CG2-CD1 4.32Å; I19-T450 HydrophobicContact CD1-CG2 3.94Å
20	Q	95.4	Very high	93.4	Very high	41 Å²	41	73.5 Å²	73.5	19%	0.192	39%	0.386	C	S	.	.	H	α-helix	trans	-59.1	-43.6	175.1	-76.4	-179	-22.4	0	0	112.1	H16 R17 I23 L24	H16-Q20 PolarHBondContact NE2-NE2 2.7Å; H16-Q20 WeakPolarHBondContact O-CG 3.41Å; H16-Q20 PolarHBondContact O-N 3.41Å; R17-Q20 PolarHBondContact O-N 2.98Å; Q20-I23 PolarHBondContact O-N 3.45Å; Q20-L24 WeakPolarHBondContact O-CB 3.33Å; Q20-L24 PolarHBondContact O-N 3.04Å
21	F	95.4	Very high	93.8	Very high	135 Å²	135	69.8 Å²	69.8	59%	0.592	36%	0.361	S	S	*	.	H	α-helix	trans	-62.9	-41.8	177.4	-179.2	-98.2	0	0	0	111.6	R17 L18 I19 L24 T25	R17-F21 VanDerWaalsContact O-CB 3.28Å; R17-F21 WeakPolarHBondContact O-CB 3.44Å; R17-F21 PolarHBondContact O-N 3.22Å; L18-F21 PolarHBondContact O-N 3.47Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 3.28Å; F21-L24 PolarHBondContact O-N 3.06Å; F21-T25 WeakPolarHBondContact O-CB 3.44Å; F21-T25 PolarHBondContact O-N 3.14Å; F21-T25 PolarHBondContact O-OG1 3.38Å
22	G	95.4	Very high	94	Very high	38 Å²	38	68.4 Å²	68.4	39%	0.392	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-47.5	174.5	0	0	0	0	0	112.5	L18 I19 T25 Y26	L18-G22 PolarHBondContact O-N 3.35Å; I19-G22 PolarHBondContact O-N 3.27Å; G22-T25 PolarHBondContact O-N 3.08Å; G22-Y26 WeakPolarHBondContact O-CB 3.3Å; G22-Y26 PolarHBondContact O-N 3.17Å
23	I	95.5	Very high	94.2	Very high	30 Å²	30	76.3 Å²	76.3	15%	0.154	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-44.9	177.2	-65.6	166.6	0	0	0	111	I19 Q20 Y26 F27 L442 L443	I19-I23 HydrophobicContact CG2-CD1 3.86Å; I19-I23 HydrophobicContact CG2-CG1 4.5Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 2.97Å; Q20-I23 PolarHBondContact O-N 3.45Å; I23-Y26 PolarHBondContact O-N 2.94Å; I23-F27 WeakPolarHBondContact O-CB 3.43Å; I23-F27 PolarHBondContact O-N 2.83Å; I23-L442 HydrophobicContact CG2-CB 3.9Å; I23-L443 HydrophobicContact CB-CD2 4.26Å; I23-L443 HydrophobicContact CG2-CD2 3.94Å
24	L	94.9	Very high	94.5	Very high	78 Å²	78	79.2 Å²	79.2	41%	0.408	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-41.8	179.1	-177.2	147.6	0	0	0	111.4	Q20 F21 F27 I28	Q20-L24 WeakPolarHBondContact O-CB 3.33Å; Q20-L24 PolarHBondContact O-N 3.04Å; F21-L24 PolarHBondContact O-N 3.06Å; L24-F27 PolarHBondContact O-N 3.38Å; L24-I28 HydrophobicContact CD2-CD1 3.45Å; L24-I28 VanDerWaalsContact CD2-CD1 3.45Å; L24-I28 HydrophobicContact CD2-CG1 4.32Å; L24-I28 HydrophobicContact CG-CD1 3.94Å; L24-I28 HydrophobicContact CG-CG1 4.5Å; L24-I28 WeakPolarHBondContact O-CB 3.47Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å; L24-I28 PolarHBondContact O-N 3.24Å
25	T	95.4	Very high	94.5	Very high	44 Å²	44	78.2 Å²	78.2	27%	0.27	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-46.8	175.6	-60.8	0	0	0	0	110.8	F21 G22 F27 I28 I29	F21-T25 WeakPolarHBondContact O-CB 3.44Å; F21-T25 PolarHBondContact O-N 3.14Å; F21-T25 PolarHBondContact O-OG1 3.38Å; G22-T25 PolarHBondContact O-N 3.08Å; T25-F27 PolarHBondContact O-N 3.43Å; T25-I28 PolarHBondContact O-N 2.84Å; T25-I29 HydrophobicContact CG2-CD1 3.53Å; T25-I29 HydrophobicContact CG2-CG1 4.23Å; T25-I29 VanDerWaalsContact O-CB 3.28Å; T25-I29 WeakPolarHBondContact O-CB 3.43Å; T25-I29 WeakPolarHBondContact O-CG1 3.28Å; T25-I29 PolarHBondContact O-N 3.47Å
26	Y	95.2	Very high	94.7	Very high	118 Å²	118	79.2 Å²	79.2	46%	0.463	37%	0.374	S	S	.	.	I	π-helix	trans	-56.6	-49.2	173.1	167.3	-98.8	0	0	0	111.3	G22 I23 Y30 V31	G22-Y26 WeakPolarHBondContact O-CB 3.3Å; G22-Y26 PolarHBondContact O-N 3.17Å; I23-Y26 PolarHBondContact O-N 2.94Å; Y26-Y30 HydrophobicContact CD2-CD1 4.17Å; Y26-Y30 HydrophobicContact CD2-CG 4.25Å; Y26-Y30 AromaticContact CE2-CD1 3.37Å; Y26-Y30 HydrophobicContact CE2-CD1 3.37Å; Y26-Y30 HydrophobicContact CE2-CE1 4.02Å; Y26-Y30 AromaticContact CE2-CG 3.85Å; Y26-Y30 HydrophobicContact CE2-CG 3.85Å; Y26-Y30 AromaticContact CZ-CD1 3.7Å; Y26-Y30 WeakPolarHBondContact O-CA 3.39Å; Y26-Y30 WeakPolarHBondContact O-CB 3.45Å; Y26-Y30 PolarHBondContact O-N 2.92Å; Y26-V31 HydrophobicContact CE1-CG2 3.92Å; Y26-V31 PolarHBondContact O-N 3.23Å
27	F	95.7	Very high	94.7	Very high	18 Å²	18	77.9 Å²	77.9	8%	0.079	37%	0.371	C	S	.	.	I	π-helix	trans	-62.3	-49.3	-178.8	-179.7	-100.7	0	0	0	112.2	I23 L24 T25 V31 M32 K435 F436 G439	I23-F27 WeakPolarHBondContact O-CB 3.43Å; I23-F27 PolarHBondContact O-N 2.83Å; L24-F27 PolarHBondContact O-N 3.38Å; T25-F27 PolarHBondContact O-N 3.43Å; F27-V31 HydrophobicContact CD2-CB 4.07Å; F27-V31 HydrophobicContact CD2-CG1 4.3Å; F27-V31 HydrophobicContact CD2-CG2 4.25Å; F27-V31 HydrophobicContact CE2-CB 4.31Å; F27-V31 HydrophobicContact CE2-CG1 4.07Å; F27-V31 VanDerWaalsContact O-CB 3.28Å; F27-V31 WeakPolarHBondContact O-CB 3.47Å; F27-V31 PolarHBondContact O-N 3.35Å; F27-M32 HydrophobicContact CD1-CG 4.15Å; F27-M32 HydrophobicContact CE1-CG 3.65Å; F27-M32 HydrophobicContact CE1-SD 4.05Å; F27-M32 HydrophobicContact CE2-SD 4.45Å; F27-M32 HydrophobicContact CZ-CG 3.83Å; F27-M32 HydrophobicContact CZ-SD 3.7Å; F27-M32 WeakPolarHBondContact O-CG 3.25Å; F27-M32 PolarHBondContact O-N 2.96Å; F27-K435 WeakPolarHBondContact CE2-O 3.46Å; F27-K435 VanDerWaalsContact CZ-O 3.29Å; F27-K435 WeakPolarHBondContact CZ-O 3.26Å; F27-F436 HydrophobicContact CE1-CD2 4.28Å; F27-G439 VanDerWaalsContact CD2-CA 3.46Å; F27-G439 VanDerWaalsContact CE2-CA 3.47Å
28	I	94.7	Very high	94.7	Very high	86 Å²	86	72.5 Å²	72.5	44%	0.441	35%	0.351	S	S	.	.	I	π-helix	trans	-69.5	-46.5	-177.2	-65.1	178.6	0	0	0	111.3	L24 T25 M32 W33	L24-I28 HydrophobicContact CD2-CD1 3.45Å; L24-I28 VanDerWaalsContact CD2-CD1 3.45Å; L24-I28 HydrophobicContact CD2-CG1 4.32Å; L24-I28 HydrophobicContact CG-CD1 3.94Å; L24-I28 HydrophobicContact CG-CG1 4.5Å; L24-I28 WeakPolarHBondContact O-CB 3.47Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å; L24-I28 PolarHBondContact O-N 3.24Å; T25-I28 PolarHBondContact O-N 2.84Å; I28-M32 WeakPolarHBondContact O-CB 3.32Å; I28-W33 PolarHBondContact O-N 2.85Å
29	I	95.7	Very high	94.7	Very high	92 Å²	92	67.7 Å²	67.7	47%	0.472	33%	0.326	S	S	.	.	I	π-helix	trans	-79.6	-52.6	-174.4	-59.7	-178	0	0	0	110.8	T25 W33 L34	T25-I29 HydrophobicContact CG2-CD1 3.53Å; T25-I29 HydrophobicContact CG2-CG1 4.23Å; T25-I29 VanDerWaalsContact O-CB 3.28Å; T25-I29 WeakPolarHBondContact O-CB 3.43Å; T25-I29 WeakPolarHBondContact O-CG1 3.28Å; T25-I29 PolarHBondContact O-N 3.47Å; I29-W33 VanDerWaalsContact O-CB 3.31Å; I29-W33 WeakPolarHBondContact O-CB 3.32Å; I29-W33 PolarHBondContact O-N 3.47Å; I29-L34 HydrophobicContact CG2-CD1 4.37Å; I29-L34 WeakPolarHBondContact O-CG 3.48Å; I29-L34 PolarHBondContact O-N 2.92Å
30	Y	95.9	Very high	94.7	Very high	111 Å²	111	67.5 Å²	67.5	44%	0.435	33%	0.326	S	S	.	.	I	π-helix	trans	-79.6	-51.8	-173.2	-177.1	-101.4	0	0	0	112.1	Y26 L34 N35	Y26-Y30 HydrophobicContact CD2-CD1 4.17Å; Y26-Y30 HydrophobicContact CD2-CG 4.25Å; Y26-Y30 AromaticContact CE2-CD1 3.37Å; Y26-Y30 HydrophobicContact CE2-CD1 3.37Å; Y26-Y30 HydrophobicContact CE2-CE1 4.02Å; Y26-Y30 AromaticContact CE2-CG 3.85Å; Y26-Y30 HydrophobicContact CE2-CG 3.85Å; Y26-Y30 AromaticContact CZ-CD1 3.7Å; Y26-Y30 WeakPolarHBondContact O-CA 3.39Å; Y26-Y30 WeakPolarHBondContact O-CB 3.45Å; Y26-Y30 PolarHBondContact O-N 2.92Å; Y30-L34 HydrophobicContact CD2-CD1 4.11Å; Y30-N35 WeakPolarHBondContact CE1-ND2 3.12Å; Y30-N35 WeakPolarHBondContact O-CB 3.49Å; Y30-N35 PolarHBondContact O-N 3.42Å; Y30-N35 PolarHBondContact O-ND2 2.99Å
31	V	94.9	Very high	94.7	Very high	26 Å²	26	70.2 Å²	70.2	16%	0.158	34%	0.337	C	S	.	.	I	π-helix	trans	-76.7	-48.6	-174.7	-176.2	0	0	0	0	111.3	Y26 F27 G37	Y26-V31 HydrophobicContact CE1-CG2 3.92Å; Y26-V31 PolarHBondContact O-N 3.23Å; F27-V31 HydrophobicContact CD2-CB 4.07Å; F27-V31 HydrophobicContact CD2-CG1 4.3Å; F27-V31 HydrophobicContact CD2-CG2 4.25Å; F27-V31 HydrophobicContact CE2-CB 4.31Å; F27-V31 HydrophobicContact CE2-CG1 4.07Å; F27-V31 VanDerWaalsContact O-CB 3.28Å; F27-V31 WeakPolarHBondContact O-CB 3.47Å; F27-V31 PolarHBondContact O-N 3.35Å; V31-G37 PolarHBondContact O-N 3.38Å
32	M	93.2	Very high	94.8	Very high	24 Å²	24	65.1 Å²	65.1	12%	0.118	32%	0.316	C	S	.	.	I	π-helix	trans	-82.7	-46.9	-174.9	-58.8	-65.3	-84.1	0	0	112.5	F27 I28 K36 Y38 F432 K435	F27-M32 HydrophobicContact CD1-CG 4.15Å; F27-M32 HydrophobicContact CE1-CG 3.65Å; F27-M32 HydrophobicContact CE1-SD 4.05Å; F27-M32 HydrophobicContact CE2-SD 4.45Å; F27-M32 HydrophobicContact CZ-CG 3.83Å; F27-M32 HydrophobicContact CZ-SD 3.7Å; F27-M32 WeakPolarHBondContact O-CG 3.25Å; F27-M32 PolarHBondContact O-N 2.96Å; I28-M32 WeakPolarHBondContact O-CB 3.32Å; M32-K36 VanDerWaalsContact O-CA 3.26Å; M32-K36 WeakPolarHBondContact O-CA 3.45Å; M32-K36 PolarHBondContact O-N 3.47Å; M32-Y38 WeakPolarHBondContact O-CD1 3.41Å; M32-Y38 WeakPolarHBondContact O-CE1 3.48Å; M32-F432 HydrophobicContact CE-CD2 3.33Å; M32-F432 HydrophobicContact CE-CE2 3.31Å; M32-F432 HydrophobicContact CE-CZ 4.49Å; M32-K435 HydrophobicContact SD-CB 4.47Å
33	W	92.2	Very high	94.8	Very high	198 Å²	198	69.5 Å²	69.5	75%	0.75	33%	0.326	S	S	*	.	I	π-helix	trans	-84.4	-58.6	-175.7	-168.7	-57.8	0	0	0	113.3	I28 I29	I28-W33 PolarHBondContact O-N 2.85Å; I29-W33 VanDerWaalsContact O-CB 3.31Å; I29-W33 WeakPolarHBondContact O-CB 3.32Å; I29-W33 PolarHBondContact O-N 3.47Å
34	L	93.7	Very high	94.8	Very high	112 Å²	112	69.1 Å²	69.1	59%	0.586	33%	0.326	S	S	*	.	I	π-helix	trans	-69.5	-48.5	-173.2	-70.9	173.2	0	0	0	112.3	I29 Y30 K36	I29-L34 HydrophobicContact CG2-CD1 4.37Å; I29-L34 WeakPolarHBondContact O-CG 3.48Å; I29-L34 PolarHBondContact O-N 2.92Å; Y30-L34 HydrophobicContact CD2-CD1 4.11Å; L34-K36 VanDerWaalsContact C-N 3.31Å
35	N	93.7	Very high	94.7	Very high	83 Å²	83	70.9 Å²	70.9	44%	0.444	33%	0.334	S	S	.	.	S	Bend	trans	-87.2	0.7	179.5	-70.1	-33	0	0	0	113.8	Y30 G37	Y30-N35 WeakPolarHBondContact CE1-ND2 3.12Å; Y30-N35 WeakPolarHBondContact O-CB 3.49Å; Y30-N35 PolarHBondContact O-N 3.42Å; Y30-N35 PolarHBondContact O-ND2 2.99Å; N35-G37 PolarHBondContact O-N 3.4Å
36	K	94.5	Very high	94.7	Very high	79 Å²	79	71.4 Å²	71.4	34%	0.343	34%	0.34	S	S	.	.			trans	48.3	43.2	-179.8	-57.3	173.8	-174.1	167.8	0	113	M32 L34 Y38 Q39 F41	M32-K36 VanDerWaalsContact O-CA 3.26Å; M32-K36 WeakPolarHBondContact O-CA 3.45Å; M32-K36 PolarHBondContact O-N 3.47Å; L34-K36 VanDerWaalsContact C-N 3.31Å; K36-Y38 HydrophobicContact CB-CE1 4.14Å; K36-Y38 HydrophobicContact CG-CE1 4.47Å; K36-Y38 PolarHBondContact O-N 3Å; K36-Q39 HydrophobicContact CB-CG 4.23Å; K36-Q39 WeakPolarHBondContact O-CB 3.35Å; K36-Q39 PolarHBondContact O-N 3.23Å; K36-F41 HydrophobicContact CB-CZ 4.08Å
37	G	92.9	Very high	94.5	Very high	11 Å²	11	67.8 Å²	67.8	11%	0.113	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.1	-174.2	0	0	0	0	0	115.7	V31 N35 Q39 K435	V31-G37 PolarHBondContact O-N 3.38Å; N35-G37 PolarHBondContact O-N 3.4Å; G37-Q39 VanDerWaalsContact C-N 3.3Å; G37-K435 WeakPolarHBondContact O-CG 3.23Å
38	Y	94.2	Very high	94.4	Very high	58 Å²	58	68.6 Å²	68.6	23%	0.227	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.6	172.1	62.1	-95.2	0	0	0	113.8	M32 K36 D317 F427 N428	M32-Y38 WeakPolarHBondContact O-CD1 3.41Å; M32-Y38 WeakPolarHBondContact O-CE1 3.48Å; K36-Y38 HydrophobicContact CB-CE1 4.14Å; K36-Y38 HydrophobicContact CG-CE1 4.47Å; K36-Y38 PolarHBondContact O-N 3Å; Y38-D317 WeakPolarHBondContact CE2-OD2 3.39Å; Y38-F427 AromaticContact CD2-CD2 3.78Å; Y38-F427 HydrophobicContact CD2-CD2 3.78Å; Y38-F427 HydrophobicContact CG-CD2 4.48Å; Y38-N428 PolarHBondContact O-N 3.39Å; Y38-N428 VanDerWaalsContact O-N 3.16Å
39	Q	95.6	Very high	94.3	Very high	8 Å²	8	67.2 Å²	67.2	4%	0.037	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	146.8	179.3	-58.7	-172.4	-26	0	0	111.6	K36 G37 F41 N315 D317 K426	K36-Q39 HydrophobicContact CB-CG 4.23Å; K36-Q39 WeakPolarHBondContact O-CB 3.35Å; K36-Q39 PolarHBondContact O-N 3.23Å; G37-Q39 VanDerWaalsContact C-N 3.3Å; Q39-F41 HydrophobicContact CB-CE1 4.35Å; Q39-F41 HydrophobicContact CB-CZ 4.24Å; Q39-N315 PolarHBondContact NE2-ND2 3.39Å; Q39-N315 PolarHBondContact NE2-OD1 3.05Å; Q39-D317 PolarHBondContact NE2-OD2 3.18Å; Q39-K426 CarbonylContact C-O 3.6Å; Q39-K426 VanDerWaalsContact CA-O 3.25Å; Q39-K426 WeakPolarHBondContact CA-O 3.28Å
40	T	95.2	Very high	94.1	Very high	28 Å²	28	64.1 Å²	64.1	17%	0.172	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142	156.8	39.9	0	0	0	0	109.7	F249 G425 K426 N428 S431	T40-F249 WeakPolarHBondContact O-CZ 3.37Å; T40-G425 WeakPolarHBondContact O-CA 3.22Å; T40-K426 PolarHBondContact N-O 2.85Å; T40-K426 PolarHBondContact O-N 3.34Å; T40-K426 PolarHBondContact OG1-O 2.77Å; T40-N428 HydrophobicContact CG2-CB 3.68Å; T40-N428 WeakPolarHBondContact CG2-ND2 2.97Å; T40-N428 WeakPolarHBondContact OG1-CB 3.38Å; T40-S431 WeakPolarHBondContact CG2-OG 3.37Å
41	F	95.5	Very high	93.9	Very high	98 Å²	98	64.5 Å²	64.5	43%	0.43	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149.2	178.3	-63.2	-70.6	0	0	0	112.3	K36 Q39 I423 A424	K36-F41 HydrophobicContact CB-CZ 4.08Å; Q39-F41 HydrophobicContact CB-CE1 4.35Å; Q39-F41 HydrophobicContact CB-CZ 4.24Å; F41-I423 HydrophobicContact CB-CG2 4.12Å; F41-I423 HydrophobicContact CD1-CG2 3.48Å; F41-I423 VanDerWaalsContact CD1-CG2 3.48Å; F41-I423 HydrophobicContact CE1-CG2 4.21Å; F41-I423 HydrophobicContact CG-CG2 4.06Å; F41-A424 CarbonylContact C-O 3.56Å; F41-A424 WeakPolarHBondContact CA-O 3.38Å
42	D	96.1	Very high	93.8	Very high	27 Å²	27	63.2 Å²	63.2	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.4	173.5	-169.6	23.9	0	0	0	110.9	F246 P247 L248 F249 A424	D42-F246 HydrophobicContact CB-CD1 4.4Å; D42-F246 WeakPolarHBondContact OD2-CA 3.37Å; D42-F246 WeakPolarHBondContact OD2-CB 3.38Å; D42-P247 WeakPolarHBondContact OD2-CD 3.31Å; D42-L248 HydrophobicContact CB-CB 3.74Å; D42-L248 HydrophobicContact CB-CD2 4.08Å; D42-L248 WeakPolarHBondContact OD2-CB 3.44Å; D42-L248 PolarHBondContact OD2-N 3.24Å; D42-F249 HydrophobicContact CB-CD2 3.91Å; D42-F249 HydrophobicContact CB-CE2 3.46Å; D42-F249 VanDerWaalsContact CB-CE2 3.46Å; D42-F249 HydrophobicContact CB-CZ 4.22Å; D42-A424 PolarHBondContact N-O 3.35Å; D42-A424 PolarHBondContact O-N 3.41Å
43	H	95.9	Very high	93.7	Very high	130 Å²	130	65.2 Å²	65.2	60%	0.602	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-103.4	141.3	176.3	-69.6	-62.7	0	0	0	110.5	G422	H43-G422 PolarHBondContact ND1-O 3.03Å; H43-G422 VanDerWaalsContact ND1-O 3.16Å
44	P	95	Very high	93.6	Very high	23 Å²	23	57 Å²	57	15%	0.149	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-81.1	143.7	-174.3	31.1	-31	0	0	0	111.7	I244 E245 F246 G422	P44-I244 HydrophobicContact CB-CB 4.13Å; P44-I244 HydrophobicContact CB-CD1 4.43Å; P44-E245 CarbonylContact C-O 3.52Å; P44-E245 VanDerWaalsContact CA-O 3.24Å; P44-E245 WeakPolarHBondContact CA-O 3.06Å; P44-F246 HydrophobicContact CB-CD1 3.9Å; P44-F246 HydrophobicContact CB-CE1 3.59Å; P44-F246 HydrophobicContact CB-CZ 4.01Å; P44-F246 HydrophobicContact CG-CE1 3.86Å; P44-F246 HydrophobicContact CG-CZ 4.31Å; P44-G422 WeakPolarHBondContact CD-O 3.42Å
45	I	94.6	Very high	93.5	Very high	115 Å²	115	57.1 Å²	57.1	59%	0.59	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	140.7	156.6	-57.2	176	0	0	0	107.1	I244 E245 P247	I45-I244 CarbonylContact O-C 3.52Å; I45-I244 VanDerWaalsContact O-CA 3.27Å; I45-I244 WeakPolarHBondContact O-CA 3.5Å; I45-E245 PolarHBondContact N-O 3.17Å; I45-E245 PolarHBondContact O-N 3.18Å; I45-P247 HydrophobicContact CD1-CG 3.54Å; I45-P247 HydrophobicContact CG1-CG 3.85Å
46	S	93.7	Very high	93.3	Very high	55 Å²	55	53.2 Å²	53.2	39%	0.385	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.5	-175.3	75.5	0	0	0	0	113.7	S243 V420	S46-S243 CarbonylContact C-O 3.59Å; S46-S243 WeakPolarHBondContact CA-O 3.33Å; S46-V420 WeakPolarHBondContact OG-CB 3.04Å
47	G	92.6	Very high	92.7	Very high	41 Å²	41	51.8 Å²	51.8	42%	0.423	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.9	167.5	0	0	0	0	0	110	N242 S243	G47-N242 WeakPolarHBondContact O-CA 3.45Å; G47-N242 PolarHBondContact O-ND2 3.11Å; G47-S243 PolarHBondContact N-O 3.26Å; G47-S243 PolarHBondContact O-N 3.44Å
48	V	93.6	Very high	91.9	Very high	36 Å²	36	53.2 Å²	53.2	22%	0.218	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.6	-179.3	-178.9	0	0	0	0	109.3	V50 I240 K241 I418 V420	V48-V50 HydrophobicContact CG1-CG2 4.11Å; V48-I240 HydrophobicContact CG1-CG2 4.02Å; V48-K241 WeakPolarHBondContact CA-O 3.42Å; V48-I418 HydrophobicContact CG1-CB 4.33Å; V48-I418 HydrophobicContact CG1-CD1 3.76Å; V48-I418 HydrophobicContact CG1-CG2 3.97Å; V48-I418 HydrophobicContact CG2-CG2 4.16Å; V48-V420 HydrophobicContact CG2-CG2 3.53Å
49	A	91.9	Very high	90.7	Very high	56 Å²	56	53.8 Å²	53.8	46%	0.463	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.8	169.4	0	0	0	0	0	109.4	K241	A49-K241 HydrophobicContact CB-CB 4.45Å; A49-K241 PolarHBondContact N-O 3.29Å; A49-K241 PolarHBondContact O-N 3.05Å
50	V	91.7	Very high	89.2	Confident	27 Å²	27	54.4 Å²	54.4	16%	0.164	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.4	-175.9	-174	0	0	0	0	110.2	V48 V52 F89 I238 F239 I418	V48-V50 HydrophobicContact CG1-CG2 4.11Å; V50-V52 HydrophobicContact CG1-CG2 4.39Å; V50-F89 HydrophobicContact CB-CD1 4.17Å; V50-F89 HydrophobicContact CB-CE1 4.47Å; V50-F89 HydrophobicContact CG1-CD1 3.74Å; V50-F89 HydrophobicContact CG1-CE1 3.65Å; V50-F89 HydrophobicContact CG1-CZ 4.39Å; V50-F89 HydrophobicContact CG2-CD1 4.16Å; V50-F89 HydrophobicContact CG2-CE1 4.4Å; V50-I238 HydrophobicContact CG1-CG2 3.47Å; V50-I238 VanDerWaalsContact CG1-CG2 3.47Å; V50-F239 WeakPolarHBondContact CA-O 3.27Å; V50-I418 HydrophobicContact CG2-CD1 3.21Å
51	K	91.3	Very high	87.4	Confident	119 Å²	119	56.5 Å²	56.5	52%	0.517	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.8	168.3	-173.9	177.1	-175.3	179.7	0	109.5	N53 F239	K51-N53 WeakPolarHBondContact CE-OD1 3.37Å; K51-F239 HydrophobicContact CB-CB 4.42Å; K51-F239 PolarHBondContact N-O 3.19Å; K51-F239 PolarHBondContact O-N 3.48Å
52	V	91.9	Very high	85.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.4	172.4	-175.1	0	0	0	0	108.1	V50 N76 Y79 L80 F89 L91 F236 I238	V50-V52 HydrophobicContact CG1-CG2 4.39Å; V52-N76 PolarHBondContact O-OD1 3.05Å; V52-Y79 HydrophobicContact CB-CE2 4.14Å; V52-Y79 HydrophobicContact CG1-CE2 3.71Å; V52-L80 HydrophobicContact CB-CD1 4.32Å; V52-L80 HydrophobicContact CB-CD2 4.32Å; V52-L80 HydrophobicContact CG2-CD1 3.67Å; V52-L80 HydrophobicContact CG2-CD2 4.12Å; V52-F89 HydrophobicContact CG2-CD2 4.06Å; V52-F89 HydrophobicContact CG2-CE2 3.79Å; V52-F89 HydrophobicContact CG2-CZ 4.18Å; V52-L91 HydrophobicContact CG1-CD1 4.38Å; V52-F236 HydrophobicContact CG1-CD2 4.18Å; V52-I238 HydrophobicContact CG2-CG1 4.33Å
53	N	91.7	Very high	83	Confident	66 Å²	66	62.4 Å²	62.4	35%	0.353	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.2	175.1	-56.8	-45.2	0	0	0	109	K51 F236 T237	K51-N53 WeakPolarHBondContact CE-OD1 3.37Å; N53-F236 WeakPolarHBondContact O-CA 3.47Å; N53-T237 PolarHBondContact N-O 3.4Å; N53-T237 PolarHBondContact O-N 2.99Å
54	G	91.3	Very high	80.8	Confident	24 Å²	24	61.3 Å²	61.3	25%	0.247	32%	0.322	C	S	.	.			trans	165.5	156.6	-177.7	0	0	0	0	0	109.6	Y79	G54-Y79 PolarHBondContact N-OH 3.2Å; G54-Y79 WeakPolarHBondContact O-CE1 3.34Å; G54-Y79 PolarHBondContact O-OH 3.31Å
55	I	91	Very high	78.4	Confident	116 Å²	116	64.4 Å²	64.4	60%	0.595	34%	0.337	S	S	*	.			trans	-128.9	128.1	173.9	-61.6	171.1	0	0	0	106	V73 F236	I55-V73 HydrophobicContact CG2-CG1 3.35Å; I55-F236 WeakPolarHBondContact O-CE1 3.49Å
56	A	88.4	Confident	76.4	Confident	1 Å²	1	67 Å²	67	1%	0.008	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	160.8	170.9	0	0	0	0	0	108.8	L74 F230 E232 F236	A56-L74 HydrophobicContact CB-CB 4.45Å; A56-L74 PolarHBondContact N-O 3.45Å; A56-L74 PolarHBondContact O-N 2.93Å; A56-F230 HydrophobicContact CB-CB 4.12Å; A56-F230 HydrophobicContact CB-CG 4.22Å; A56-E232 HydrophobicContact CB-CB 4.3Å; A56-F236 HydrophobicContact CB-CZ 3.83Å
57	W	82	Confident	74.5	Confident	48 Å²	48	70.5 Å²	70.5	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.5	172.1	63.9	-84.8	0	0	0	109	I71 I72 F212 L213 K216 E232	W57-I71 HydrophobicContact CE3-CG2 4.33Å; W57-I72 CarbonylContact C-O 3.48Å; W57-I72 VanDerWaalsContact CA-O 3.27Å; W57-I72 WeakPolarHBondContact CA-O 3.28Å; W57-F212 HydrophobicContact CZ2-CD2 4.43Å; W57-F212 HydrophobicContact CZ2-CE2 4Å; W57-L213 HydrophobicContact CH2-CD2 3.42Å; W57-L213 VanDerWaalsContact CH2-CD2 3.42Å; W57-L213 HydrophobicContact CZ2-CD2 3.69Å; W57-L213 HydrophobicContact CZ3-CD2 4.08Å; W57-K216 HydrophobicContact CH2-CD 3.46Å; W57-K216 VanDerWaalsContact CH2-CD 3.46Å; W57-K216 HydrophobicContact CZ2-CD 3.66Å; W57-K216 HydrophobicContact CZ3-CD 4.41Å; W57-E232 PolarHBondContact NE1-OE1 3.39Å
58	K	76.1	Confident	72.8	Confident	41 Å²	41	71.1 Å²	71.1	18%	0.178	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.6	174.1	173.7	168.8	179.3	166.3	0	109.4	I60 I72 I95 F230	K58-I60 HydrophobicContact CG-CG1 4.28Å; K58-I60 PolarHBondContact O-N 3.34Å; K58-I72 PolarHBondContact N-O 2.95Å; K58-I72 PolarHBondContact O-N 3.41Å; K58-I95 PolarHBondContact NZ-O 3.4Å; K58-F230 HydrophobicContact CB-CD1 4.16Å; K58-F230 HydrophobicContact CB-CE1 3.57Å; K58-F230 HydrophobicContact CD-CD1 4.34Å; K58-F230 HydrophobicContact CD-CE1 3.47Å; K58-F230 VanDerWaalsContact CD-CE1 3.47Å; K58-F230 HydrophobicContact CD-CZ 4.2Å; K58-F230 HydrophobicContact CG-CE1 4.13Å
59	Q	68.7	Low	71.2	Confident	71 Å²	71	73.1 Å²	73.1	33%	0.332	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	104.2	169.7	-165.4	173.2	6.3	0	0	107.9	N69 G70 I71	Q59-N69 PolarHBondContact NE2-O 2.9Å; Q59-G70 CarbonylContact C-O 3.6Å; Q59-I71 HydrophobicContact CG-CG1 4.35Å
60	I	64.9	Low	69.9	Low	21 Å²	21	70.7 Å²	70.7	11%	0.108	35%	0.346	C	S	.	.			trans	-84.4	151.5	166.8	-70.2	169.7	0	0	0	107.1	K58 K62 G70 I72 F98	K58-I60 HydrophobicContact CG-CG1 4.28Å; K58-I60 PolarHBondContact O-N 3.34Å; I60-K62 PolarHBondContact O-N 3.36Å; I60-G70 CarbonylContact C-O 3.56Å; I60-G70 WeakPolarHBondContact CA-O 3.38Å; I60-G70 PolarHBondContact N-O 3.16Å; I60-G70 CarbonylContact O-C 3.56Å; I60-G70 WeakPolarHBondContact O-CA 3.4Å; I60-I72 HydrophobicContact CB-CD1 3.87Å; I60-I72 HydrophobicContact CB-CG1 3.99Å; I60-I72 HydrophobicContact CD1-CB 4.2Å; I60-I72 HydrophobicContact CD1-CD1 3.21Å; I60-I72 HydrophobicContact CD1-CG1 3.67Å; I60-I72 HydrophobicContact CG1-CD1 3.98Å; I60-I72 HydrophobicContact CG1-CG1 4.1Å; I60-I72 HydrophobicContact CG2-CD1 4.3Å; I60-F98 HydrophobicContact CD1-CE1 4.15Å; I60-F98 HydrophobicContact CG1-CE1 4.45Å; I60-F98 HydrophobicContact CG2-CE1 3.67Å; I60-F98 HydrophobicContact CG2-CZ 3.71Å
61	F	58.2	Low	69	Low	72 Å²	72	72.1 Å²	72.1	32%	0.316	35%	0.352	S	S	.	.			trans	-33.2	128.6	-172.8	-61.6	-94.7	0	0	0	114.4	Y63 L183	F61-Y63 PolarHBondContact O-N 2.99Å; F61-L183 HydrophobicContact CE1-CD2 4.46Å; F61-L183 HydrophobicContact CE2-CD1 4.2Å; F61-L183 HydrophobicContact CZ-CD1 3.98Å
62	K	50	Low	68.3	Low	126 Å²	126	69.7 Å²	69.7	55%	0.548	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-9.7	-177.3	-155.7	177.6	-177.4	-179.3	0	114.9	I60	I60-K62 PolarHBondContact O-N 3.36Å
63	Y	48.8	Very low	68	Low	123 Å²	123	74 Å²	74	48%	0.482	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-8.6	-165.8	-64.5	-78.2	0	0	0	115.3	F61 L191	F61-Y63 PolarHBondContact O-N 2.99Å; Y63-L191 HydrophobicContact CE1-CD1 3.86Å
64	Q	49.8	Very low	67.7	Low	106 Å²	106	71.7 Å²	71.7	50%	0.495	36%	0.358	S	S	.	.	S	Bend	trans	-101.5	-18.2	-177.7	-80.1	-179.4	-14.1	0	0	114.8
65	N	44.9	Very low	67.6	Low	88 Å²	88	74.8 Å²	74.8	47%	0.471	37%	0.369	S	S	.	.			trans	-139.8	102.5	175.6	-91	-24.2	0	0	0	110.3	D67 T68 N69	N65-D67 PolarHBondContact O-N 3.26Å; N65-T68 WeakPolarHBondContact CB-OG1 3.41Å; N65-N69 PolarHBondContact O-N 3.46Å
66	H	51.2	Low	67.4	Low	171 Å²	171	71.9 Å²	71.9	79%	0.792	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.1	173.4	-73.1	-71.6	0	0	0	112.1
67	D	54.7	Low	67.3	Low	128 Å²	128	74.9 Å²	74.9	68%	0.684	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-29.4	-174.5	-63.2	-17.9	0	0	0	113.8	N65	N65-D67 PolarHBondContact O-N 3.26Å
68	T	57.1	Low	67.4	Low	54 Å²	54	76.6 Å²	76.6	33%	0.331	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	8.2	-172.7	66.6	0	0	0	0	114.6	N65 G70 I71	N65-T68 WeakPolarHBondContact CB-OG1 3.41Å; T68-G70 PolarHBondContact O-N 2.94Å; T68-I71 PolarHBondContact O-N 2.96Å
69	N	60	Low	67.8	Low	77 Å²	77	74.9 Å²	74.9	41%	0.412	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	21.3	-172.8	-78.8	-34.4	0	0	0	114	Q59 N65 I71	Q59-N69 PolarHBondContact NE2-O 2.9Å; N65-N69 PolarHBondContact O-N 3.46Å; N69-I71 VanDerWaalsContact C-N 3.33Å
70	G	65.1	Low	68.5	Low	5 Å²	5	72.2 Å²	72.2	5%	0.052	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	8.3	-177	0	0	0	0	0	115.3	Q59 I60 T68 I72	Q59-G70 CarbonylContact C-O 3.6Å; I60-G70 CarbonylContact C-O 3.56Å; I60-G70 WeakPolarHBondContact CA-O 3.38Å; I60-G70 PolarHBondContact N-O 3.16Å; I60-G70 CarbonylContact O-C 3.56Å; I60-G70 WeakPolarHBondContact O-CA 3.4Å; T68-G70 PolarHBondContact O-N 2.94Å; G70-I72 PolarHBondContact O-N 3.48Å
71	I	72.4	Confident	69.2	Low	57 Å²	57	73.9 Å²	73.9	29%	0.292	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.1	176.1	-58.3	173.3	0	0	0	109.1	W57 Q59 T68 N69	W57-I71 HydrophobicContact CE3-CG2 4.33Å; Q59-I71 HydrophobicContact CG-CG1 4.35Å; T68-I71 PolarHBondContact O-N 2.96Å; N69-I71 VanDerWaalsContact C-N 3.33Å
72	I	76.7	Confident	70	Confident	68 Å²	68	76.2 Å²	76.2	35%	0.349	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.7	172.7	-41.8	-157.6	0	0	0	108.2	W57 K58 I60 G70 L74	W57-I72 CarbonylContact C-O 3.48Å; W57-I72 VanDerWaalsContact CA-O 3.27Å; W57-I72 WeakPolarHBondContact CA-O 3.28Å; K58-I72 PolarHBondContact N-O 2.95Å; K58-I72 PolarHBondContact O-N 3.41Å; I60-I72 HydrophobicContact CB-CD1 3.87Å; I60-I72 HydrophobicContact CB-CG1 3.99Å; I60-I72 HydrophobicContact CD1-CB 4.2Å; I60-I72 HydrophobicContact CD1-CD1 3.21Å; I60-I72 HydrophobicContact CD1-CG1 3.67Å; I60-I72 HydrophobicContact CG1-CD1 3.98Å; I60-I72 HydrophobicContact CG1-CG1 4.1Å; I60-I72 HydrophobicContact CG2-CD1 4.3Å; G70-I72 PolarHBondContact O-N 3.48Å; I72-L74 HydrophobicContact CG2-CD2 4.41Å
73	V	85	Confident	70.9	Confident	90 Å²	90	72.9 Å²	72.9	55%	0.545	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.5	173.9	-178.8	0	0	0	0	107.4	I55	I55-V73 HydrophobicContact CG2-CG1 3.35Å
74	L	86.1	Confident	71.5	Confident	19 Å²	19	73.9 Å²	73.9	10%	0.099	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.2	-178	-61.5	168.8	0	0	0	109	A56 I72 D78 I95 F230	A56-L74 HydrophobicContact CB-CB 4.45Å; A56-L74 PolarHBondContact N-O 3.45Å; A56-L74 PolarHBondContact O-N 2.93Å; I72-L74 HydrophobicContact CG2-CD2 4.41Å; L74-D78 WeakPolarHBondContact CA-OD2 3.34Å; L74-D78 HydrophobicContact CB-CB 4.18Å; L74-D78 HydrophobicContact CD2-CB 3.73Å; L74-I95 HydrophobicContact CD1-CD1 4.32Å; L74-F230 HydrophobicContact CD1-CD1 4.41Å; L74-F230 HydrophobicContact CD1-CE1 3.57Å; L74-F230 HydrophobicContact CD1-CE2 3.69Å; L74-F230 HydrophobicContact CD1-CZ 3.15Å
75	D	89.3	Confident	71.9	Confident	88 Å²	88	77.3 Å²	77.3	47%	0.471	43%	0.426	S	S	.	.			trans	-111.9	-173.4	177.6	84.1	5.1	0	0	0	112.1	G77 D78 Y79	D75-G77 PolarHBondContact O-N 3.25Å; D75-G77 VanDerWaalsContact O-N 3.14Å; D75-G77 WeakPolarHBondContact OD1-CA 3.32Å; D75-G77 PolarHBondContact OD1-N 2.88Å; D75-D78 PolarHBondContact N-OD2 3.28Å; D75-D78 VanDerWaalsContact N-OD2 3.07Å; D75-D78 PolarHBondContact O-N 2.96Å; D75-Y79 VanDerWaalsContact C-CD1 3.43Å; D75-Y79 WeakPolarHBondContact O-CD1 3.36Å; D75-Y79 WeakPolarHBondContact O-CE1 3.22Å; D75-Y79 PolarHBondContact O-N 3.43Å
76	N	87	Confident	72.8	Confident	55 Å²	55	78.7 Å²	78.7	29%	0.294	43%	0.433	S	S	.	.	H	α-helix	trans	-57.6	-26.4	-178	-174.1	47	0	0	0	113.8	V52 D78 Y79 L80	V52-N76 PolarHBondContact O-OD1 3.05Å; N76-D78 VanDerWaalsContact C-N 3.31Å; N76-Y79 HydrophobicContact CB-CE2 4.27Å; N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 WeakPolarHBondContact OD1-CB 3.43Å; N76-L80 WeakPolarHBondContact OD1-CD2 3.22Å
77	G	84.8	Confident	74.2	Confident	64 Å²	64	73.2 Å²	73.2	66%	0.66	41%	0.414	S	S	*	.	H	α-helix	trans	-72.7	-23.2	174.6	0	0	0	0	0	113.7	D75	D75-G77 PolarHBondContact O-N 3.25Å; D75-G77 VanDerWaalsContact O-N 3.14Å; D75-G77 WeakPolarHBondContact OD1-CA 3.32Å; D75-G77 PolarHBondContact OD1-N 2.88Å
78	D	85.5	Confident	75.7	Confident	84 Å²	84	67.9 Å²	67.9	45%	0.449	39%	0.389	S	S	.	.	H	α-helix	trans	-95.4	-43.7	-174.3	-58.2	-49.4	0	0	0	112.9	L74 D75 N76 I92	L74-D78 WeakPolarHBondContact CA-OD2 3.34Å; L74-D78 HydrophobicContact CB-CB 4.18Å; L74-D78 HydrophobicContact CD2-CB 3.73Å; D75-D78 PolarHBondContact N-OD2 3.28Å; D75-D78 VanDerWaalsContact N-OD2 3.07Å; D75-D78 PolarHBondContact O-N 2.96Å; N76-D78 VanDerWaalsContact C-N 3.31Å; D78-I92 WeakPolarHBondContact O-CD1 3.28Å
79	Y	84.1	Confident	77.3	Confident	5 Å²	5	65.4 Å²	65.4	2%	0.02	37%	0.374	C	S	.	.	H	α-helix	trans	-92.5	-18.9	-174.3	59.3	-115	0	0	0	114.3	V52 G54 D75 N76 L91 I92 F236	V52-Y79 HydrophobicContact CB-CE2 4.14Å; V52-Y79 HydrophobicContact CG1-CE2 3.71Å; G54-Y79 PolarHBondContact N-OH 3.2Å; G54-Y79 WeakPolarHBondContact O-CE1 3.34Å; G54-Y79 PolarHBondContact O-OH 3.31Å; D75-Y79 VanDerWaalsContact C-CD1 3.43Å; D75-Y79 WeakPolarHBondContact O-CD1 3.36Å; D75-Y79 WeakPolarHBondContact O-CE1 3.22Å; D75-Y79 PolarHBondContact O-N 3.43Å; N76-Y79 HydrophobicContact CB-CE2 4.27Å; Y79-L91 HydrophobicContact CD2-CD1 3.32Å; Y79-L91 HydrophobicContact CE2-CD1 3.88Å; Y79-L91 HydrophobicContact CG-CD1 4.1Å; Y79-I92 PolarHBondContact O-N 3.2Å; Y79-F236 AromaticContact CD1-CE2 3.83Å; Y79-F236 HydrophobicContact CD1-CE2 3.83Å; Y79-F236 HydrophobicContact CD1-CZ 4.32Å; Y79-F236 HydrophobicContact CD2-CE2 4.31Å; Y79-F236 HydrophobicContact CE1-CD2 4.43Å; Y79-F236 AromaticContact CE1-CE2 3.49Å; Y79-F236 HydrophobicContact CE1-CE2 3.49Å; Y79-F236 VanDerWaalsContact CE1-CE2 3.49Å; Y79-F236 AromaticContact CE1-CZ 3.92Å; Y79-F236 HydrophobicContact CE1-CZ 3.92Å; Y79-F236 HydrophobicContact CE2-CD2 4.31Å; Y79-F236 HydrophobicContact CE2-CE2 4.02Å; Y79-F236 HydrophobicContact CG-CE2 4.23Å; Y79-F236 AromaticContact CZ-CE2 3.61Å
80	L	82.8	Confident	78.8	Confident	16 Å²	16	62.6 Å²	62.6	8%	0.084	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	109.4	-173.3	-169.1	67.9	0	0	0	110.7	V52 N76 Q82 F89	V52-L80 HydrophobicContact CB-CD1 4.32Å; V52-L80 HydrophobicContact CB-CD2 4.32Å; V52-L80 HydrophobicContact CG2-CD1 3.67Å; V52-L80 HydrophobicContact CG2-CD2 4.12Å; N76-L80 WeakPolarHBondContact O-CB 3.43Å; N76-L80 WeakPolarHBondContact OD1-CB 3.43Å; N76-L80 WeakPolarHBondContact OD1-CD2 3.22Å; L80-Q82 HydrophobicContact CD2-CG 3.93Å; L80-Q82 VanDerWaalsContact CD2-NE2 3.34Å; L80-Q82 HydrophobicContact CG-CG 4Å; L80-F89 HydrophobicContact CD1-CB 3.74Å; L80-F89 HydrophobicContact CD1-CD2 3.36Å; L80-F89 HydrophobicContact CD1-CE2 4.25Å; L80-F89 HydrophobicContact CD1-CG 3.84Å
81	L	80.7	Confident	80.1	Confident	55 Å²	55	62.4 Å²	62.4	29%	0.288	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.8	170.6	-61.3	174.1	0	0	0	108.5	P83 Y90 I92 L388	L81-P83 WeakPolarHBondContact O-CD 3.41Å; L81-Y90 HydrophobicContact CB-CD1 4.38Å; L81-Y90 HydrophobicContact CD1-CD1 4.04Å; L81-Y90 PolarHBondContact N-O 3.08Å; L81-Y90 PolarHBondContact O-N 2.79Å; L81-I92 HydrophobicContact CD1-CD1 3.98Å; L81-I92 HydrophobicContact CD1-CG1 4.32Å; L81-I92 HydrophobicContact CG-CD1 4.14Å; L81-L388 HydrophobicContact CD1-CD2 3.52Å
82	Q	75	Confident	81.1	Confident	121 Å²	121	60.3 Å²	60.3	57%	0.565	34%	0.344	S	S	*	.			trans	-93.9	115.1	179.5	-64.9	-173.8	-9.2	0	0	110.2	L80 T84	L80-Q82 HydrophobicContact CD2-CG 3.93Å; L80-Q82 VanDerWaalsContact CD2-NE2 3.34Å; L80-Q82 HydrophobicContact CG-CG 4Å; Q82-T84 PolarHBondContact O-N 2.83Å
83	P	67	Low	81.7	Confident	57 Å²	57	57 Å²	57	37%	0.37	33%	0.328	S	S	.	.			trans	-68.1	131.2	170.5	28.8	-31.6	0	0	0	109.3	L81 Q85 G88	L81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-Q85 VanDerWaalsContact C-N 3.26Å; P83-Q85 PolarHBondContact O-N 3.42Å; P83-G88 WeakPolarHBondContact CD-O 3.32Å
84	T	61.5	Low	81.8	Confident	143 Å²	143	52.8 Å²	52.8	88%	0.877	30%	0.302	S	S	*	.	S	Bend	trans	-69.7	-20.7	-177.1	49.6	0	0	0	0	113.9	Q82	Q82-T84 PolarHBondContact O-N 2.83Å
85	Q	59.2	Low	81.6	Confident	179 Å²	179	53 Å²	53	84%	0.836	30%	0.303	S	S	*	.	S	Bend	trans	-104.3	-22.3	-168	-69.5	-178.3	-16	0	0	115	P83	P83-Q85 VanDerWaalsContact C-N 3.26Å; P83-Q85 PolarHBondContact O-N 3.42Å
86	N	63.4	Low	81	Confident	117 Å²	117	52.2 Å²	52.2	63%	0.626	30%	0.295	S	S	*	.	S	Bend	trans	-120.4	145.4	-173.3	-72	-15.1	0	0	0	111.3	G88	N86-G88 VanDerWaalsContact C-N 3.28Å; N86-G88 PolarHBondContact O-N 3.37Å
87	S	80.1	Confident	80.3	Confident	56 Å²	56	52.1 Å²	52.1	39%	0.392	29%	0.293	S	S	.	.	S	Bend	trans	-67.8	87.3	169.8	49.2	0	0	0	0	109.5	I418	S87-I418 WeakPolarHBondContact O-CA 3.4Å; S87-I418 WeakPolarHBondContact O-CB 3.41Å; S87-I418 PolarHBondContact O-N 3.1Å; S87-I418 PolarHBondContact OG-O 3.36Å
88	G	87.2	Confident	80	Confident	15 Å²	15	51 Å²	51	16%	0.155	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	177.7	-174.4	0	0	0	0	0	112.1	P83 N86 F416	P83-G88 WeakPolarHBondContact CD-O 3.32Å; N86-G88 VanDerWaalsContact C-N 3.28Å; N86-G88 PolarHBondContact O-N 3.37Å; G88-F416 CarbonylContact C-O 3.58Å; G88-F416 WeakPolarHBondContact CA-O 3.4Å
89	F	91.2	Very high	79.6	Confident	2 Å²	2	47 Å²	47	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.1	175.7	62.2	-84.7	0	0	0	109.8	V50 V52 L80 L91 I238 F416	V50-F89 HydrophobicContact CB-CD1 4.17Å; V50-F89 HydrophobicContact CB-CE1 4.47Å; V50-F89 HydrophobicContact CG1-CD1 3.74Å; V50-F89 HydrophobicContact CG1-CE1 3.65Å; V50-F89 HydrophobicContact CG1-CZ 4.39Å; V50-F89 HydrophobicContact CG2-CD1 4.16Å; V50-F89 HydrophobicContact CG2-CE1 4.4Å; V52-F89 HydrophobicContact CG2-CD2 4.06Å; V52-F89 HydrophobicContact CG2-CE2 3.79Å; V52-F89 HydrophobicContact CG2-CZ 4.18Å; L80-F89 HydrophobicContact CD1-CB 3.74Å; L80-F89 HydrophobicContact CD1-CD2 3.36Å; L80-F89 HydrophobicContact CD1-CE2 4.25Å; L80-F89 HydrophobicContact CD1-CG 3.84Å; F89-L91 HydrophobicContact CD2-CB 4.39Å; F89-L91 HydrophobicContact CE2-CB 4.26Å; F89-I238 HydrophobicContact CE1-CG2 4.13Å; F89-I238 HydrophobicContact CE2-CD1 4.44Å; F89-I238 HydrophobicContact CZ-CD1 3.67Å; F89-I238 HydrophobicContact CZ-CG1 4.01Å; F89-I238 HydrophobicContact CZ-CG2 4.06Å; F89-F416 HydrophobicContact CD1-CB 3.85Å; F89-F416 HydrophobicContact CD2-CB 4.29Å; F89-F416 AromaticContact CD2-CD2 3.92Å; F89-F416 HydrophobicContact CD2-CD2 3.92Å; F89-F416 HydrophobicContact CD2-CG 4.43Å; F89-F416 HydrophobicContact CE1-CB 3.46Å; F89-F416 VanDerWaalsContact CE1-CB 3.46Å; F89-F416 HydrophobicContact CE1-CD2 4.22Å; F89-F416 AromaticContact CE1-CG 3.84Å; F89-F416 HydrophobicContact CE1-CG 3.84Å; F89-F416 HydrophobicContact CE2-CB 3.98Å; F89-F416 AromaticContact CE2-CD2 3.21Å; F89-F416 HydrophobicContact CE2-CD2 3.21Å; F89-F416 AromaticContact CE2-CE2 3.85Å; F89-F416 HydrophobicContact CE2-CE2 3.85Å; F89-F416 AromaticContact CE2-CG 3.72Å; F89-F416 HydrophobicContact CE2-CG 3.72Å; F89-F416 HydrophobicContact CG-CB 4.25Å; F89-F416 HydrophobicContact CZ-CB 3.54Å; F89-F416 HydrophobicContact CZ-CD1 4.07Å; F89-F416 AromaticContact CZ-CD2 3.38Å; F89-F416 HydrophobicContact CZ-CD2 3.38Å; F89-F416 HydrophobicContact CZ-CE2 4.09Å; F89-F416 AromaticContact CZ-CG 3.37Å; F89-F416 HydrophobicContact CZ-CG 3.37Å; F89-F416 PolarHBondContact N-O 3.21Å; F89-F416 PolarHBondContact O-N 2.95Å
90	Y	91.6	Very high	79.6	Confident	19 Å²	19	50.3 Å²	50.3	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.5	175	-175.6	-87.9	0	0	0	109	L81 I92 S386 L388 V411 G413 Q415	L81-Y90 HydrophobicContact CB-CD1 4.38Å; L81-Y90 HydrophobicContact CD1-CD1 4.04Å; L81-Y90 PolarHBondContact N-O 3.08Å; L81-Y90 PolarHBondContact O-N 2.79Å; Y90-I92 HydrophobicContact CD1-CG1 4.18Å; Y90-I92 HydrophobicContact CE1-CG1 4.01Å; Y90-S386 PolarHBondContact OH-O 3.45Å; Y90-L388 HydrophobicContact CD1-CD2 4.36Å; Y90-L388 HydrophobicContact CE1-CB 4.3Å; Y90-L388 HydrophobicContact CE1-CD2 4.26Å; Y90-V411 HydrophobicContact CE1-CG2 4.21Å; Y90-G413 WeakPolarHBondContact OH-CA 3.46Å; Y90-G413 PolarHBondContact OH-N 3.02Å; Y90-Q415 HydrophobicContact CD2-CB 3.97Å; Y90-Q415 HydrophobicContact CD2-CG 4.48Å
91	L	92.5	Very high	79.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.9	-178.8	-176.8	66.5	0	0	0	109.6	V52 Y79 F89 T93 I233 F236 L285 G413 I414 F416	V52-L91 HydrophobicContact CG1-CD1 4.38Å; Y79-L91 HydrophobicContact CD2-CD1 3.32Å; Y79-L91 HydrophobicContact CE2-CD1 3.88Å; Y79-L91 HydrophobicContact CG-CD1 4.1Å; F89-L91 HydrophobicContact CD2-CB 4.39Å; F89-L91 HydrophobicContact CE2-CB 4.26Å; L91-T93 PolarHBondContact O-N 3.21Å; L91-I233 HydrophobicContact CD2-CG2 3.71Å; L91-F236 HydrophobicContact CD1-CD2 4.47Å; L91-L285 HydrophobicContact CD2-CD1 3.29Å; L91-G413 CarbonylContact O-C 3.53Å; L91-G413 WeakPolarHBondContact O-CA 3.38Å; L91-I414 PolarHBondContact N-O 2.87Å; L91-I414 PolarHBondContact O-N 2.96Å; L91-F416 HydrophobicContact CB-CD2 4.45Å; L91-F416 HydrophobicContact CB-CE2 4.19Å; L91-F416 HydrophobicContact CD2-CE2 4.26Å
92	I	91.5	Very high	80	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.3	178.2	-64.8	166	0	0	0	109.4	D78 Y79 L81 Y90 I95 F230 I233 V411	D78-I92 WeakPolarHBondContact O-CD1 3.28Å; Y79-I92 PolarHBondContact O-N 3.2Å; L81-I92 HydrophobicContact CD1-CD1 3.98Å; L81-I92 HydrophobicContact CD1-CG1 4.32Å; L81-I92 HydrophobicContact CG-CD1 4.14Å; Y90-I92 HydrophobicContact CD1-CG1 4.18Å; Y90-I92 HydrophobicContact CE1-CG1 4.01Å; I92-I95 HydrophobicContact CG2-CG1 4.31Å; I92-F230 HydrophobicContact CG2-CE2 4.02Å; I92-I233 WeakPolarHBondContact O-CD1 3.34Å; I92-V411 HydrophobicContact CD1-CB 4.41Å; I92-V411 HydrophobicContact CD1-CG1 4.13Å; I92-V411 HydrophobicContact CD1-CG2 4.18Å; I92-V411 HydrophobicContact CG1-CB 4.13Å; I92-V411 HydrophobicContact CG1-CG1 4.36Å; I92-V411 HydrophobicContact CG1-CG2 3.94Å; I92-V411 HydrophobicContact CG2-CB 3.81Å; I92-V411 HydrophobicContact CG2-CG1 3.89Å
93	T	90.2	Very high	80.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-31.6	178.1	58.9	0	0	0	0	113.2	L91 P229 F230 I233 L300 N412 I414	L91-T93 PolarHBondContact O-N 3.21Å; T93-P229 WeakPolarHBondContact O-CA 3.37Å; T93-F230 WeakPolarHBondContact O-CD2 3.34Å; T93-F230 WeakPolarHBondContact O-CG 3.15Å; T93-F230 PolarHBondContact O-N 3.38Å; T93-I233 HydrophobicContact CG2-CD1 3.93Å; T93-L300 WeakPolarHBondContact CB-O 3.1Å; T93-L300 HydrophobicContact CG2-CD2 3.97Å; T93-L300 PolarHBondContact OG1-O 2.61Å; T93-N412 PolarHBondContact N-O 3.2Å; T93-N412 PolarHBondContact OG1-O 3.38Å; T93-I414 HydrophobicContact CG2-CD1 3.82Å; T93-I414 HydrophobicContact CG2-CG1 3.82Å
94	T	86.6	Confident	81.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.8	173.8	83	0	0	0	0	111	P229 L300 K301 V411 N412	T94-P229 HydrophobicContact CG2-CB 3.64Å; T94-L300 WeakPolarHBondContact CG2-O 3.29Å; T94-K301 WeakPolarHBondContact CG2-O 3.09Å; T94-V411 CarbonylContact O-C 3.52Å; T94-V411 VanDerWaalsContact O-CA 3.23Å; T94-V411 WeakPolarHBondContact O-CA 3.18Å; T94-V411 WeakPolarHBondContact O-CB 3.41Å; T94-N412 PolarHBondContact N-O 3.06Å; T94-N412 PolarHBondContact O-N 2.71Å; T94-N412 WeakPolarHBondContact OG1-CB 3.36Å
95	I	82.9	Confident	83.1	Confident	24 Å²	24	47.8 Å²	47.8	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.9	164.1	-60	173.5	0	0	0	106.2	K58 L74 I92 I227 F230 I409 V411	K58-I95 PolarHBondContact NZ-O 3.4Å; L74-I95 HydrophobicContact CD1-CD1 4.32Å; I92-I95 HydrophobicContact CG2-CG1 4.31Å; I95-I227 WeakPolarHBondContact O-CG2 3.47Å; I95-F230 HydrophobicContact CD1-CE2 4.39Å; I95-F230 HydrophobicContact CD1-CZ 3.69Å; I95-F230 HydrophobicContact CG1-CE2 4.17Å; I95-F230 HydrophobicContact CG1-CZ 3.73Å; I95-I409 HydrophobicContact CG2-CG2 4.02Å; I95-V411 HydrophobicContact CG1-CG1 4.12Å
96	K	76.5	Confident	84.6	Confident	70 Å²	70	40.1 Å²	40.1	30%	0.304	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-55.9	177.5	-67.9	-171.2	165.3	154.6	0	110.2	I227 H410 N412	K96-I227 HydrophobicContact CB-CD1 3.98Å; K96-I227 HydrophobicContact CG-CD1 3.99Å; K96-I227 HydrophobicContact CG-CG2 4.44Å; K96-H410 HydrophobicContact CB-CB 4.38Å; K96-H410 PolarHBondContact N-O 2.82Å; K96-N412 VanDerWaalsContact CE-ND2 3.27Å; K96-N412 WeakPolarHBondContact CE-ND2 3.49Å; K96-N412 WeakPolarHBondContact CE-OD1 3.49Å; K96-N412 PolarHBondContact NZ-OD1 2.88Å; K96-N412 VanDerWaalsContact NZ-OD1 3.1Å
97	H	72.2	Confident	85.9	Confident	53 Å²	53	35.3 Å²	35.3	25%	0.245	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	160.1	175.3	54.5	-107.2	0	0	0	109.8	T176 H410	H97-T176 VanDerWaalsContact NE2-CG2 3.29Å; H97-T176 WeakPolarHBondContact NE2-CG2 3.41Å; H97-H410 AromaticContact CE1-ND1 3.51Å; H97-H410 WeakPolarHBondContact NE2-CB 3.46Å; H97-H410 AromaticContact NE2-ND1 3.79Å; H97-H410 PolarHBondContact O-N 3.4Å
98	F	77.9	Confident	86.4	Confident	41 Å²	41	32.7 Å²	32.7	18%	0.18	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.5	165.8	65.4	-86.5	0	0	0	108.4	I60 Y179 I407 L408 I409	I60-F98 HydrophobicContact CD1-CE1 4.15Å; I60-F98 HydrophobicContact CG1-CE1 4.45Å; I60-F98 HydrophobicContact CG2-CE1 3.67Å; I60-F98 HydrophobicContact CG2-CZ 3.71Å; F98-Y179 WeakPolarHBondContact O-CE1 3.3Å; F98-I407 HydrophobicContact CB-CG2 4.41Å; F98-L408 CarbonylContact C-O 3.45Å; F98-L408 WeakPolarHBondContact CA-O 3.31Å; F98-I409 HydrophobicContact CB-CG1 4.17Å; F98-I409 HydrophobicContact CB-CG2 4.38Å
99	V	77.9	Confident	86.3	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.2	-177.5	-173.8	0	0	0	0	109	Q101 P174 T176 Y179 I407 L408	V99-Q101 HydrophobicContact CB-CG 4.22Å; V99-Q101 HydrophobicContact CG1-CG 3.77Å; V99-Q101 PolarHBondContact O-N 2.92Å; V99-P174 HydrophobicContact CG1-CG 3.92Å; V99-T176 HydrophobicContact CG2-CG2 4.21Å; V99-Y179 HydrophobicContact CB-CD1 4.41Å; V99-Y179 HydrophobicContact CB-CG 4.32Å; V99-Y179 HydrophobicContact CG1-CD1 4.37Å; V99-Y179 HydrophobicContact CG1-CD2 3.96Å; V99-Y179 HydrophobicContact CG1-CG 3.8Å; V99-Y179 HydrophobicContact CG2-CD1 3.67Å; V99-Y179 HydrophobicContact CG2-CE1 4.36Å; V99-Y179 HydrophobicContact CG2-CG 3.86Å; V99-I407 WeakPolarHBondContact O-CA 3.47Å; V99-L408 PolarHBondContact N-O 3.38Å; V99-L408 PolarHBondContact O-N 3.43Å
100	I	82.7	Confident	85.7	Confident	74 Å²	74	36.1 Å²	36.1	38%	0.379	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114	169.7	-70.2	170.3	0	0	0	107.7	P174 Y394	I100-P174 WeakPolarHBondContact O-CD 3.5Å; I100-Y394 WeakPolarHBondContact CG1-OH 3.36Å; I100-Y394 WeakPolarHBondContact CG2-OH 3.28Å
101	Q	85.8	Confident	84.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.5	-177.1	-61	-175.9	-41.8	0	0	111.5	V99 W172 C173 P174 R405 R406	V99-Q101 HydrophobicContact CB-CG 4.22Å; V99-Q101 HydrophobicContact CG1-CG 3.77Å; V99-Q101 PolarHBondContact O-N 2.92Å; Q101-W172 HydrophobicContact CB-CB 4.15Å; Q101-W172 HydrophobicContact CB-CE3 4.08Å; Q101-W172 PolarHBondContact NE2-O 3.18Å; Q101-C173 CarbonylContact C-O 3.54Å; Q101-C173 VanDerWaalsContact CA-O 3.28Å; Q101-C173 WeakPolarHBondContact CA-O 3.38Å; Q101-P174 PolarHBondContact NE2-O 2.89Å; Q101-R405 CarbonylContact O-C 3.43Å; Q101-R405 VanDerWaalsContact O-CA 3.31Å; Q101-R405 WeakPolarHBondContact O-CA 3.47Å; Q101-R406 HydrophobicContact CB-CG 3.96Å; Q101-R406 PolarHBondContact N-O 2.85Å; Q101-R406 PolarHBondContact O-N 2.61Å; Q101-R406 VanDerWaalsContact OE1-CZ 3.26Å
102	R	87.5	Confident	84.4	Confident	132 Å²	132	38.7 Å²	38.7	50%	0.498	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.1	169.7	65.4	-178.3	178.5	173	-0.5	109.1	T104 C173 R405	R102-T104 HydrophobicContact CG-CG2 3.76Å; R102-T104 PolarHBondContact O-N 3.09Å; R102-C173 PolarHBondContact N-O 2.9Å; R102-C173 PolarHBondContact O-N 3.01Å; R102-R405 HydrophobicContact CB-CG 4.48Å
103	M	87.1	Confident	83.9	Confident	99 Å²	99	38.8 Å²	38.8	49%	0.488	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	109.8	175.8	-161.4	151.9	-172.1	0	0	109.8	Y170 G171	M103-Y170 HydrophobicContact CE-CD1 4.45Å; M103-Y170 HydrophobicContact CE-CE1 3.64Å; M103-G171 WeakPolarHBondContact CA-O 2.99Å
104	T	89.5	Confident	83.6	Confident	44 Å²	44	39.3 Å²	39.3	27%	0.27	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-167.2	-179	-170.5	0	0	0	0	109.7	R102 G171 C173	R102-T104 HydrophobicContact CG-CG2 3.76Å; R102-T104 PolarHBondContact O-N 3.09Å; T104-G171 PolarHBondContact N-O 3.15Å; T104-G171 PolarHBondContact O-N 2.68Å; T104-G171 VanDerWaalsContact O-N 3.11Å; T104-G171 VanDerWaalsContact O-O 3.05Å; T104-C173 HydrophobicContact CG2-CB 3.52Å; T104-C173 PolarHBondContact O-SG 2.92Å; T104-C173 VanDerWaalsContact O-SG 3.35Å
105	T	91.7	Very high	83.7	Confident	62 Å²	62	39.2 Å²	39.2	38%	0.38	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.4	174.5	58.3	0	0	0	0	111.5	T157 Q168 I169 Y170 C173	T105-T157 HydrophobicContact CG2-CG2 4.11Å; T105-Q168 PolarHBondContact OG1-NE2 3.05Å; T105-I169 WeakPolarHBondContact CA-O 3.46Å; T105-Y170 HydrophobicContact CG2-CD2 3.89Å; T105-C173 VanDerWaalsContact C-SG 3.6Å
106	C	90.9	Very high	83.9	Confident	18 Å²	18	41 Å²	41	12%	0.122	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	176	176.7	54.1	0	0	0	0	110.9	Q168 I169 C173	C106-Q168 CarbonylContact O-C 3.39Å; C106-Q168 WeakPolarHBondContact O-CA 3.49Å; C106-I169 PolarHBondContact N-O 3.23Å; C106-I169 VanDerWaalsContact N-O 3.11Å; C106-I169 WeakPolarHBondContact O-CG1 3.09Å; C106-I169 PolarHBondContact O-N 2.78Å; C106-C173 HydrophobicContact CB-CB 3.5Å; C106-C173 WeakPolarHBondContact CB-SG 3.49Å; C106-C173 PolarHBondContact N-SG 3.16Å; C106-C173 WeakPolarHBondContact SG-CB 3.09Å; C106-C173 CovalentContact SG-SG 2.02Å; C106-C173 PolarHBondContact SG-SG 3.3Å
107	S	91.2	Very high	84.6	Confident	17 Å²	17	37.8 Å²	37.8	12%	0.119	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	146.4	166.5	15.4	0	0	0	0	111.1	T175 D178	S107-T175 WeakPolarHBondContact O-CG2 3.22Å; S107-T175 PolarHBondContact O-OG1 3Å; S107-D178 WeakPolarHBondContact CB-OD2 2.99Å; S107-D178 PolarHBondContact OG-OD1 2.78Å; S107-D178 PolarHBondContact OG-OD2 2.78Å
108	E	89.9	Confident	85.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-71	171.4	167.3	-165.1	46.3	-77.3	0	0	112.1	L112 A115 A129 H153 K166 C167 I169	E108-L112 HydrophobicContact CG-CD1 3.98Å; E108-A115 HydrophobicContact CB-CB 3.7Å; E108-A115 HydrophobicContact CG-CB 3.38Å; E108-A129 HydrophobicContact CG-CB 4.03Å; E108-H153 WeakPolarHBondContact OE1-CB 3.29Å; E108-H153 IonicContact OE1-CE1 2.63Å; E108-H153 IonicContact OE1-CG 3.41Å; E108-H153 IonicContact OE1-ND1 3.51Å; E108-H153 PolarHBondContact OE1-ND1 2.96Å; E108-H153 PolarHBondContact OE2-N 3.01Å; E108-K166 WeakPolarHBondContact O-CD 3.21Å; E108-C167 PolarHBondContact N-O 3.23Å; E108-C167 VanDerWaalsContact N-O 3.08Å; E108-I169 HydrophobicContact CB-CG2 3.8Å; E108-I169 HydrophobicContact CG-CG2 4.17Å
109	S	85	Confident	86.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-59.5	144.3	172.1	176.8	0	0	0	0	112.9	K111 D177	S109-K111 VanDerWaalsContact C-N 3.31Å; S109-K111 WeakPolarHBondContact OG-CB 3.13Å; S109-K111 PolarHBondContact OG-N 2.89Å; S109-D177 WeakPolarHBondContact CB-OD2 3.45Å; S109-D177 PolarHBondContact OG-OD2 2.83Å
110	D	78.2	Confident	86.7	Confident	90 Å²	90	47.6 Å²	47.6	48%	0.481	24%	0.241	S	C	.	.	S	Bend	trans	-75.7	-16.9	168.9	54.5	-15.9	0	0	0	113.7	L112 D177	D110-L112 PolarHBondContact O-N 3.46Å; D110-D177 WeakPolarHBondContact OD1-CB 3.18Å
111	K	75.4	Confident	87.1	Confident	70 Å²	70	51.4 Å²	51.4	30%	0.304	26%	0.261	S	S	.	.	S	Bend	trans	-74.8	-17.5	177.4	-64.8	167.9	175.7	152.3	0	112.7	S109 P113 I147 E150 D177	S109-K111 VanDerWaalsContact C-N 3.31Å; S109-K111 WeakPolarHBondContact OG-CB 3.13Å; S109-K111 PolarHBondContact OG-N 2.89Å; K111-P113 VanDerWaalsContact O-CD 3.26Å; K111-P113 WeakPolarHBondContact O-CD 3.46Å; K111-I147 HydrophobicContact CD-CD1 3.86Å; K111-E150 VanDerWaalsContact CD-OE2 3.29Å; K111-E150 WeakPolarHBondContact CD-OE2 3.33Å; K111-D177 WeakPolarHBondContact CE-OD1 3.35Å; K111-D177 IonicContact NZ-OD1 2.92Å; K111-D177 PolarHBondContact NZ-OD1 3.38Å
112	L	81.1	Confident	87.2	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.016	27%	0.274	C	S	.	.			trans	-91.6	104.8	178.4	-61.3	178.8	0	0	0	109.2	E108 D110 D114 A115 A129 E150	E108-L112 HydrophobicContact CG-CD1 3.98Å; D110-L112 PolarHBondContact O-N 3.46Å; L112-D114 PolarHBondContact O-N 3.5Å; L112-A115 HydrophobicContact CB-CB 3.89Å; L112-A115 WeakPolarHBondContact O-CB 3.26Å; L112-A115 PolarHBondContact O-N 2.89Å; L112-A129 HydrophobicContact CB-CB 4.2Å; L112-A129 HydrophobicContact CD1-CB 3.64Å; L112-A129 HydrophobicContact CG-CB 4.49Å; L112-E150 HydrophobicContact CD2-CB 3.93Å; L112-E150 WeakPolarHBondContact CD2-O 3.19Å
113	P	81.2	Confident	87.4	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.091	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.4	-32.4	-174.8	24.4	-32.4	0	0	0	111.8	K111 A115 L116 G135 P141	K111-P113 VanDerWaalsContact O-CD 3.26Å; K111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-A115 PolarHBondContact O-N 3.47Å; P113-L116 WeakPolarHBondContact O-CB 3.33Å; P113-L116 PolarHBondContact O-N 3.3Å; P113-G135 WeakPolarHBondContact O-CA 3.5Å; P113-P141 HydrophobicContact CB-CG 3.88Å; P113-P141 HydrophobicContact CG-CG 4.36Å
114	D	85	Confident	87.6	Confident	11 Å²	11	45.8 Å²	45.8	6%	0.059	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-76.7	-3.9	178.2	67.1	-13.8	0	0	0	114.8	L112 A129 G130 Y131 K132	L112-D114 PolarHBondContact O-N 3.5Å; D114-A129 WeakPolarHBondContact OD1-CB 3.21Å; D114-G130 VanDerWaalsContact CG-N 3.25Å; D114-G130 PolarHBondContact OD1-N 3.23Å; D114-G130 PolarHBondContact OD2-N 2.88Å; D114-Y131 PolarHBondContact OD2-N 2.8Å; D114-K132 HydrophobicContact CB-CB 3.8Å; D114-K132 PolarHBondContact OD2-N 3.49Å
115	A	87.8	Confident	87.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-95.7	-8.2	171.7	0	0	0	0	0	113.6	E108 L112 P113 A129 F156 K166 C167	E108-A115 HydrophobicContact CB-CB 3.7Å; E108-A115 HydrophobicContact CG-CB 3.38Å; L112-A115 HydrophobicContact CB-CB 3.89Å; L112-A115 WeakPolarHBondContact O-CB 3.26Å; L112-A115 PolarHBondContact O-N 2.89Å; P113-A115 PolarHBondContact O-N 3.47Å; A115-A129 HydrophobicContact CB-CB 3.98Å; A115-F156 HydrophobicContact CB-CZ 4.23Å; A115-K166 CarbonylContact O-C 3.49Å; A115-K166 WeakPolarHBondContact O-CA 3.29Å; A115-C167 PolarHBondContact O-N 3.36Å
116	L	88.2	Confident	87.7	Confident	61 Å²	61	49.8 Å²	49.8	32%	0.319	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-72	139.4	174	-62.9	172.6	0	0	0	109.7	P113 P136 K165	P113-L116 WeakPolarHBondContact O-CB 3.33Å; P113-L116 PolarHBondContact O-N 3.3Å; L116-P136 WeakPolarHBondContact O-CD 3.42Å; L116-P136 VanDerWaalsContact O-CG 3.29Å; L116-P136 WeakPolarHBondContact O-CG 3.11Å; L116-K165 WeakPolarHBondContact CA-O 3.27Å
117	C	90.3	Very high	87.6	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	28%	0.277	C	S	.	.			trans	-146.1	150	-178	65.7	0	0	0	0	111.8	D122 C123 C160 K165 K166 C167	C117-D122 HydrophobicContact CB-CB 3.82Å; C117-C123 WeakPolarHBondContact CB-SG 3.47Å; C117-C123 VanDerWaalsContact SG-SG 3.63Å; C117-C160 HydrophobicContact CB-CB 3.78Å; C117-C160 WeakPolarHBondContact CB-SG 3.48Å; C117-C160 PolarHBondContact O-SG 2.86Å; C117-C160 VanDerWaalsContact O-SG 3.34Å; C117-C160 WeakPolarHBondContact SG-CA 3.2Å; C117-C160 WeakPolarHBondContact SG-CB 3.33Å; C117-C160 CovalentContact SG-SG 2.02Å; C117-C160 PolarHBondContact SG-SG 3.02Å; C117-K165 PolarHBondContact N-O 3.29Å; C117-K165 CarbonylContact O-C 3.49Å; C117-K165 WeakPolarHBondContact O-CA 3.21Å; C117-K165 WeakPolarHBondContact O-CB 3.4Å; C117-K166 PolarHBondContact SG-O 3.31Å; C117-C167 PolarHBondContact SG-N 2.92Å; C117-C167 VanDerWaalsContact SG-N 3.39Å
118	N	89.6	Confident	87.5	Confident	84 Å²	84	55.1 Å²	55.1	45%	0.449	29%	0.293	S	S	.	.	S	Bend	trans	-110.3	-33.6	166.8	-69	-48.8	0	0	0	111	D122	N118-D122 PolarHBondContact N-OD2 3.36Å
119	H	91	Very high	87.3	Confident	129 Å²	129	55.2 Å²	55.2	60%	0.597	29%	0.293	S	S	*	.	S	Bend	trans	-130.2	157.9	-179.3	-56.4	75.4	0	0	0	110.4	I121 D122	H119-I121 PolarHBondContact O-N 3.31Å; H119-I121 VanDerWaalsContact O-N 3.09Å; H119-D122 PolarHBondContact N-OD2 3.46Å; H119-D122 WeakPolarHBondContact O-CB 3.37Å; H119-D122 PolarHBondContact O-N 3.3Å
120	D	92.3	Very high	87.1	Confident	87 Å²	87	56.9 Å²	56.9	47%	0.465	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-56.8	-27.8	178.7	-72.3	-4.8	0	0	0	113.1	D122 C123 G158 C160	D120-D122 PolarHBondContact O-N 3Å; D120-C123 PolarHBondContact O-N 2.86Å; D120-C123 VanDerWaalsContact O-N 3.1Å; D120-G158 WeakPolarHBondContact CB-O 3.42Å; D120-C160 WeakPolarHBondContact OD1-CB 3.44Å; D120-C160 PolarHBondContact OD1-N 3.38Å
121	I	90.3	Very high	87.1	Confident	155 Å²	155	60.6 Å²	60.6	80%	0.795	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.7	177.9	-59.2	167.9	0	0	0	111.8	H119 C123	H119-I121 PolarHBondContact O-N 3.31Å; H119-I121 VanDerWaalsContact O-N 3.09Å; I121-C123 PolarHBondContact O-N 3.23Å
122	D	88.9	Confident	87.2	Confident	54 Å²	54	61.8 Å²	61.8	29%	0.289	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-69.6	-17.3	178.5	-55.9	-33.5	0	0	0	111.6	C117 N118 H119 D120 P124 P136	C117-D122 HydrophobicContact CB-CB 3.82Å; N118-D122 PolarHBondContact N-OD2 3.36Å; H119-D122 PolarHBondContact N-OD2 3.46Å; H119-D122 WeakPolarHBondContact O-CB 3.37Å; H119-D122 PolarHBondContact O-N 3.3Å; D120-D122 PolarHBondContact O-N 3Å; D122-P124 VanDerWaalsContact C-CD 3.49Å; D122-P124 WeakPolarHBondContact O-CD 2.86Å; D122-P136 HydrophobicContact CB-CB 4.24Å
123	C	90.8	Very high	86.7	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	35%	0.347	C	S	.	.	S	Bend	trans	-111	79.1	-176.9	-55.5	0	0	0	0	111.5	C117 D120 I121 I125 F156 G158 C167	C117-C123 WeakPolarHBondContact CB-SG 3.47Å; C117-C123 VanDerWaalsContact SG-SG 3.63Å; D120-C123 PolarHBondContact O-N 2.86Å; D120-C123 VanDerWaalsContact O-N 3.1Å; I121-C123 PolarHBondContact O-N 3.23Å; C123-I125 PolarHBondContact O-N 3.03Å; C123-F156 HydrophobicContact CB-CD2 4.07Å; C123-G158 VanDerWaalsContact O-CA 3.26Å; C123-G158 WeakPolarHBondContact O-CA 3.35Å; C123-C167 VanDerWaalsContact CA-SG 3.58Å; C123-C167 HydrophobicContact CB-CB 3.83Å; C123-C167 WeakPolarHBondContact CB-SG 2.94Å; C123-C167 WeakPolarHBondContact SG-CA 3.43Å; C123-C167 WeakPolarHBondContact SG-CB 3.38Å; C123-C167 CovalentContact SG-SG 2.04Å; C123-C167 PolarHBondContact SG-SG 3.05Å
124	P	90.9	Very high	86.3	Confident	60 Å²	60	69.6 Å²	69.6	39%	0.39	36%	0.362	S	S	.	.			trans	-61.1	131.6	-179.4	19.5	-28.1	0	0	0	112.3	D122 G126 Y127 F156	D122-P124 VanDerWaalsContact C-CD 3.49Å; D122-P124 WeakPolarHBondContact O-CD 2.86Å; P124-G126 PolarHBondContact O-N 3.39Å; P124-Y127 HydrophobicContact CG-CD1 4.27Å; P124-Y127 HydrophobicContact CG-CD2 4.45Å; P124-Y127 HydrophobicContact CG-CG 3.89Å; P124-Y127 WeakPolarHBondContact O-CB 3.47Å; P124-Y127 PolarHBondContact O-N 3.41Å; P124-Y127 VanDerWaalsContact O-N 3.15Å; P124-F156 VanDerWaalsContact O-CB 3.23Å; P124-F156 WeakPolarHBondContact O-CB 3.43Å
125	I	92.6	Very high	85.6	Confident	142 Å²	142	69.3 Å²	69.3	73%	0.728	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	130.7	-179	-59.9	164.6	0	0	0	110.1	C123 Y127 G158	C123-I125 PolarHBondContact O-N 3.03Å; I125-Y127 VanDerWaalsContact C-N 3.27Å; I125-Y127 PolarHBondContact O-N 2.99Å; I125-G158 VanDerWaalsContact CG1-CA 3.48Å
126	G	90.3	Very high	84.8	Confident	48 Å²	48	72.3 Å²	72.3	50%	0.495	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-2.2	178.7	0	0	0	0	0	115.1	P124 F156	P124-G126 PolarHBondContact O-N 3.39Å; G126-F156 PolarHBondContact N-O 3.05Å
127	Y	89.9	Confident	84	Confident	53 Å²	53	73.8 Å²	73.8	21%	0.208	39%	0.389	C	S	.	.			trans	-72.4	153.4	172.4	-172.5	-106.3	0	0	0	111.6	P124 I125 I155 F156	P124-Y127 HydrophobicContact CG-CD1 4.27Å; P124-Y127 HydrophobicContact CG-CD2 4.45Å; P124-Y127 HydrophobicContact CG-CG 3.89Å; P124-Y127 WeakPolarHBondContact O-CB 3.47Å; P124-Y127 PolarHBondContact O-N 3.41Å; P124-Y127 VanDerWaalsContact O-N 3.15Å; I125-Y127 VanDerWaalsContact C-N 3.27Å; I125-Y127 PolarHBondContact O-N 2.99Å; Y127-I155 CarbonylContact O-C 3.55Å; Y127-I155 WeakPolarHBondContact O-CA 3.37Å; Y127-F156 AromaticContact CD1-CD2 3.78Å; Y127-F156 HydrophobicContact CD1-CD2 3.78Å; Y127-F156 AromaticContact CD1-CE2 3.5Å; Y127-F156 HydrophobicContact CD1-CE2 3.5Å; Y127-F156 HydrophobicContact CD1-CZ 4.01Å; Y127-F156 HydrophobicContact CE1-CE2 4.21Å; Y127-F156 HydrophobicContact CG-CD2 4.38Å; Y127-F156 HydrophobicContact CG-CE2 4.5Å; Y127-F156 WeakPolarHBondContact O-CB 3.14Å; Y127-F156 WeakPolarHBondContact O-CD1 3.38Å; Y127-F156 WeakPolarHBondContact O-CG 3.49Å; Y127-F156 PolarHBondContact O-N 2.96Å
128	Q	88.5	Confident	82.9	Confident	94 Å²	94	74.8 Å²	74.8	44%	0.439	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-119.4	136.2	173.9	-68.7	176.3	-3.4	0	0	108	Y131 I155	Q128-Y131 HydrophobicContact CB-CE2 4.14Å; Q128-Y131 VanDerWaalsContact O-CD2 3.27Å; Q128-Y131 WeakPolarHBondContact O-CD2 3.25Å; Q128-I155 HydrophobicContact CG-CG2 3.91Å
129	A	85.6	Confident	81.8	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.008	40%	0.402	C	S	.	.	S	Bend	trans	-70.3	163.7	176.9	0	0	0	0	0	112.5	E108 L112 D114 A115 G152 F156	E108-A129 HydrophobicContact CG-CB 4.03Å; L112-A129 HydrophobicContact CB-CB 4.2Å; L112-A129 HydrophobicContact CD1-CB 3.64Å; L112-A129 HydrophobicContact CG-CB 4.49Å; D114-A129 WeakPolarHBondContact OD1-CB 3.21Å; A115-A129 HydrophobicContact CB-CB 3.98Å; A129-G152 WeakPolarHBondContact O-CA 3.29Å; A129-G152 PolarHBondContact O-N 3.47Å; A129-F156 HydrophobicContact CB-CE1 3.85Å; A129-F156 HydrophobicContact CB-CZ 3.86Å
130	G	80.4	Confident	80.5	Confident	36 Å²	36	72.4 Å²	72.4	37%	0.371	39%	0.393	S	S	.	.	S	Bend	trans	101.8	7.4	177.4	0	0	0	0	0	115.9	D114	D114-G130 VanDerWaalsContact CG-N 3.25Å; D114-G130 PolarHBondContact OD1-N 3.23Å; D114-G130 PolarHBondContact OD2-N 2.88Å
131	Y	79.7	Confident	79	Confident	168 Å²	168	70.1 Å²	70.1	66%	0.659	38%	0.383	S	S	*	.	S	Bend	trans	-106.4	-22.1	-179.1	-63.5	-82.8	0	0	0	113.9	D114 Q128	D114-Y131 PolarHBondContact OD2-N 2.8Å; Q128-Y131 HydrophobicContact CB-CE2 4.14Å; Q128-Y131 VanDerWaalsContact O-CD2 3.27Å; Q128-Y131 WeakPolarHBondContact O-CD2 3.25Å
132	K	76.2	Confident	77.4	Confident	94 Å²	94	69.4 Å²	69.4	41%	0.409	38%	0.381	S	S	.	.			trans	-110.1	130.3	177.9	-62.5	169	-176.6	170.5	0	110	D114 Y134	D114-K132 HydrophobicContact CB-CB 3.8Å; D114-K132 PolarHBondContact OD2-N 3.49Å; K132-Y134 HydrophobicContact CB-CE1 4.47Å; K132-Y134 PolarHBondContact O-N 2.67Å
133	P	71.2	Confident	75.6	Confident	75 Å²	75	71 Å²	71	49%	0.487	39%	0.386	S	S	.	.	S	Bend	trans	-81.2	11.9	-179.7	32.8	-34.5	0	0	0	113.6	P141	P133-P141 WeakPolarHBondContact O-CD 3.38Å
134	Y	72.1	Confident	73.7	Confident	107 Å²	107	78.1 Å²	78.1	42%	0.42	43%	0.425	S	S	.	.	S	Bend	trans	-142.3	149.6	-176.9	56.3	-92.9	0	0	0	110.4	K132	K132-Y134 HydrophobicContact CB-CE1 4.47Å; K132-Y134 PolarHBondContact O-N 2.67Å
135	G	71.8	Confident	71.7	Confident	5 Å²	5	80.6 Å²	80.6	5%	0.052	43%	0.434	C	S	.	.			trans	-83.1	-174.6	175.6	0	0	0	0	0	113.5	P113 D137 G138	P113-G135 WeakPolarHBondContact O-CA 3.5Å; G135-D137 WeakPolarHBondContact CA-OD1 3.11Å; G135-D137 PolarHBondContact O-N 3.18Å; G135-G138 PolarHBondContact O-N 3.45Å
136	P	70.7	Confident	69.8	Low	62 Å²	62	76.4 Å²	76.4	40%	0.403	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.1	179.3	26.2	-34.9	0	0	0	113.3	L116 D122 G138	L116-P136 WeakPolarHBondContact O-CD 3.42Å; L116-P136 VanDerWaalsContact O-CG 3.29Å; L116-P136 WeakPolarHBondContact O-CG 3.11Å; D122-P136 HydrophobicContact CB-CB 4.24Å; P136-G138 VanDerWaalsContact C-N 3.27Å
137	D	71.6	Confident	68	Low	92 Å²	92	77.9 Å²	77.9	49%	0.492	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.8	171	54.9	-6	0	0	0	113.6	G135 I139	G135-D137 WeakPolarHBondContact CA-OD1 3.11Å; G135-D137 PolarHBondContact O-N 3.18Å; D137-I139 HydrophobicContact CB-CD1 4.23Å; D137-I139 HydrophobicContact CB-CG1 4.13Å; D137-I139 PolarHBondContact O-N 2.84Å; D137-I139 PolarHBondContact OD1-N 3.46Å
138	G	67.2	Low	66.2	Low	24 Å²	24	82 Å²	82	25%	0.247	43%	0.433	C	S	.	.			trans	73	7.4	-177.1	0	0	0	0	0	113.8	G135 P136 Y357	G135-G138 PolarHBondContact O-N 3.45Å; P136-G138 VanDerWaalsContact C-N 3.27Å; G138-Y357 PolarHBondContact O-OH 2.82Å
139	I	65	Low	64.5	Low	96 Å²	96	83.9 Å²	83.9	49%	0.492	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-86	129.1	-179.5	-56.7	177	0	0	0	108.3	D137	D137-I139 HydrophobicContact CB-CD1 4.23Å; D137-I139 HydrophobicContact CB-CG1 4.13Å; D137-I139 PolarHBondContact O-N 2.84Å; D137-I139 PolarHBondContact OD1-N 3.46Å
140	V	63.8	Low	63.5	Low	67 Å²	67	85 Å²	85	41%	0.406	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-83.9	124.3	172.2	178.5	0	0	0	0	107.5	I146	V140-I146 HydrophobicContact CG1-CD1 3.62Å
141	P	61	Low	63.1	Low	38 Å²	38	87.6 Å²	87.6	25%	0.247	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-57.7	147.5	179.1	-20.1	29.1	0	0	0	111.9	P113 P133 N145 I146	P113-P141 HydrophobicContact CB-CG 3.88Å; P113-P141 HydrophobicContact CG-CG 4.36Å; P133-P141 WeakPolarHBondContact O-CD 3.38Å; P141-N145 HydrophobicContact CB-CB 4.25Å; P141-I146 HydrophobicContact CB-CD1 4.43Å; P141-I146 HydrophobicContact CB-CG1 3.86Å; P141-I146 HydrophobicContact CG-CG1 4.15Å; P141-I146 WeakPolarHBondContact O-CD1 3.31Å
142	N	57.1	Low	63.3	Low	140 Å²	140	80.7 Å²	80.7	75%	0.749	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-60	151.4	174.6	-79.7	-16.1	0	0	0	111.5	N144 N145	N142-N144 PolarHBondContact O-N 3.03Å; N142-N145 PolarHBondContact O-N 3.42Å
143	E	51.3	Low	63.8	Low	87 Å²	87	78.3 Å²	78.3	41%	0.407	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.3	-31.2	-173.9	-76.7	159.3	-161.1	0	0	116.6	N145 K360	E143-N145 VanDerWaalsContact C-N 3.29Å; E143-N145 PolarHBondContact O-N 3.15Å; E143-K360 VanDerWaalsContact CD-NZ 3.28Å; E143-K360 WeakPolarHBondContact OE1-CD 3.46Å; E143-K360 VanDerWaalsContact OE1-CE 3.23Å; E143-K360 WeakPolarHBondContact OE1-CE 3.32Å; E143-K360 IonicContact OE1-NZ 3.48Å; E143-K360 PolarHBondContact OE1-NZ 3.1Å; E143-K360 IonicContact OE2-NZ 2.96Å; E143-K360 PolarHBondContact OE2-NZ 3.28Å; E143-K360 VanDerWaalsContact OE2-NZ 3.08Å
144	N	50.2	Low	64.7	Low	152 Å²	152	75.3 Å²	75.3	81%	0.813	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.6	-176.7	-63.9	-4.9	0	0	0	113.9	N142	N142-N144 PolarHBondContact O-N 3.03Å
145	N	49.8	Very low	65.7	Low	111 Å²	111	73.7 Å²	73.7	59%	0.594	41%	0.414	S	S	*	.	S	Bend	trans	-117	-5.5	-169.4	-69.8	2.8	0	0	0	114.7	P141 N142 E143 I147	P141-N145 HydrophobicContact CB-CB 4.25Å; N142-N145 PolarHBondContact O-N 3.42Å; E143-N145 VanDerWaalsContact C-N 3.29Å; E143-N145 PolarHBondContact O-N 3.15Å; N145-I147 PolarHBondContact O-N 2.84Å
146	I	52	Low	66.8	Low	54 Å²	54	73.6 Å²	73.6	28%	0.277	41%	0.412	S	S	.	.			trans	-91.5	100.6	178.9	-52.7	179.4	0	0	0	109	V140 P141 I148	V140-I146 HydrophobicContact CG1-CD1 3.62Å; P141-I146 HydrophobicContact CB-CD1 4.43Å; P141-I146 HydrophobicContact CB-CG1 3.86Å; P141-I146 HydrophobicContact CG-CG1 4.15Å; P141-I146 WeakPolarHBondContact O-CD1 3.31Å; I146-I148 HydrophobicContact CB-CG1 4.47Å; I146-I148 HydrophobicContact CG2-CG1 3.59Å; I146-I148 PolarHBondContact O-N 3.17Å
147	I	52.5	Low	67.9	Low	80 Å²	80	72.8 Å²	72.8	41%	0.41	41%	0.406	S	S	.	.			trans	-85.8	97	164.1	-52.1	-174	0	0	0	106.9	K111 N145 D149 E150	K111-I147 HydrophobicContact CD-CD1 3.86Å; N145-I147 PolarHBondContact O-N 2.84Å; I147-D149 PolarHBondContact O-N 3.17Å; I147-E150 HydrophobicContact CB-CG 4.24Å; I147-E150 HydrophobicContact CG2-CB 4.34Å; I147-E150 HydrophobicContact CG2-CG 3.72Å; I147-E150 PolarHBondContact O-N 3.14Å
148	I	51.9	Low	68.9	Low	139 Å²	139	69.1 Å²	69.1	71%	0.713	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.9	-171.3	-59.7	170.5	0	0	0	112.7	I146	I146-I148 HydrophobicContact CB-CG1 4.47Å; I146-I148 HydrophobicContact CG2-CG1 3.59Å; I146-I148 PolarHBondContact O-N 3.17Å
149	D	53.8	Low	70.2	Confident	133 Å²	133	74 Å²	74	71%	0.711	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	15.6	-175.1	-87	-25.4	0	0	0	115.1	I147 S151	I147-D149 PolarHBondContact O-N 3.17Å; D149-S151 PolarHBondContact O-N 2.98Å
150	E	64.2	Low	71.5	Confident	25 Å²	25	69.8 Å²	69.8	12%	0.117	38%	0.384	C	S	.	.			trans	-84.8	111.3	171	-80.7	-175.3	172.6	0	0	111.2	K111 L112 I147 R389	K111-E150 VanDerWaalsContact CD-OE2 3.29Å; K111-E150 WeakPolarHBondContact CD-OE2 3.33Å; L112-E150 HydrophobicContact CD2-CB 3.93Å; L112-E150 WeakPolarHBondContact CD2-O 3.19Å; I147-E150 HydrophobicContact CB-CG 4.24Å; I147-E150 HydrophobicContact CG2-CB 4.34Å; I147-E150 HydrophobicContact CG2-CG 3.72Å; I147-E150 PolarHBondContact O-N 3.14Å; E150-R389 IonicContact OE1-NH2 3.74Å
151	S	72.5	Confident	72.9	Confident	91 Å²	91	69.1 Å²	69.1	64%	0.636	38%	0.378	S	S	*	.			trans	-73.8	148.4	168	-47.8	0	0	0	0	110.8	D149	D149-S151 PolarHBondContact O-N 2.98Å
152	G	82.6	Confident	74.1	Confident	23 Å²	23	74 Å²	74	24%	0.237	40%	0.4	C	S	.	.			trans	-54.3	146.8	171.9	0	0	0	0	0	113.4	A129	A129-G152 WeakPolarHBondContact O-CA 3.29Å; A129-G152 PolarHBondContact O-N 3.47Å
153	H	88.1	Confident	75.5	Confident	44 Å²	44	76.3 Å²	76.3	20%	0.204	41%	0.406	C	S	.	.	S	Bend	trans	-86.3	-11	-175.4	-61	94.1	0	0	0	113.1	E108 I169 T175	E108-H153 WeakPolarHBondContact OE1-CB 3.29Å; E108-H153 IonicContact OE1-CE1 2.63Å; E108-H153 IonicContact OE1-CG 3.41Å; E108-H153 IonicContact OE1-ND1 3.51Å; E108-H153 PolarHBondContact OE1-ND1 2.96Å; E108-H153 PolarHBondContact OE2-N 3.01Å; H153-I169 HydrophobicContact CB-CD1 3.82Å; H153-T175 HydrophobicContact CB-CG2 3.91Å
154	G	90	Very high	77	Confident	12 Å²	12	74.2 Å²	74.2	12%	0.124	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-174.1	-179.8	0	0	0	0	0	113.8
155	I	93.2	Very high	78.9	Confident	72 Å²	72	72.8 Å²	72.8	37%	0.369	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	142.6	176.7	57.6	169.3	0	0	0	110.9	Y127 Q128 I169 Y170	Y127-I155 CarbonylContact O-C 3.55Å; Y127-I155 WeakPolarHBondContact O-CA 3.37Å; Q128-I155 HydrophobicContact CG-CG2 3.91Å; I155-I169 CarbonylContact O-C 3.53Å; I155-I169 WeakPolarHBondContact O-CA 3.43Å; I155-Y170 PolarHBondContact N-O 3.08Å; I155-Y170 VanDerWaalsContact N-O 3.17Å; I155-Y170 PolarHBondContact O-N 3.45Å
156	F	93.9	Very high	80.9	Confident	3 Å²	3	68.5 Å²	68.5	1%	0.013	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.4	179.4	-73.6	10	0	0	0	111.1	A115 C123 P124 G126 Y127 A129 G158 C167 I169	A115-F156 HydrophobicContact CB-CZ 4.23Å; C123-F156 HydrophobicContact CB-CD2 4.07Å; P124-F156 VanDerWaalsContact O-CB 3.23Å; P124-F156 WeakPolarHBondContact O-CB 3.43Å; G126-F156 PolarHBondContact N-O 3.05Å; Y127-F156 AromaticContact CD1-CD2 3.78Å; Y127-F156 HydrophobicContact CD1-CD2 3.78Å; Y127-F156 AromaticContact CD1-CE2 3.5Å; Y127-F156 HydrophobicContact CD1-CE2 3.5Å; Y127-F156 HydrophobicContact CD1-CZ 4.01Å; Y127-F156 HydrophobicContact CE1-CE2 4.21Å; Y127-F156 HydrophobicContact CG-CD2 4.38Å; Y127-F156 HydrophobicContact CG-CE2 4.5Å; Y127-F156 WeakPolarHBondContact O-CB 3.14Å; Y127-F156 WeakPolarHBondContact O-CD1 3.38Å; Y127-F156 WeakPolarHBondContact O-CG 3.49Å; Y127-F156 PolarHBondContact O-N 2.96Å; A129-F156 HydrophobicContact CB-CE1 3.85Å; A129-F156 HydrophobicContact CB-CZ 3.86Å; F156-G158 VanDerWaalsContact C-N 3.35Å; F156-C167 HydrophobicContact CD1-CB 4.19Å; F156-C167 HydrophobicContact CD2-CB 4.09Å; F156-C167 HydrophobicContact CE1-CB 3.96Å; F156-C167 HydrophobicContact CE2-CB 3.85Å; F156-C167 VanDerWaalsContact CE2-SG 3.55Å; F156-C167 HydrophobicContact CG-CB 4.24Å; F156-C167 HydrophobicContact CZ-CB 3.79Å; F156-I169 HydrophobicContact CD1-CG2 3.73Å; F156-I169 HydrophobicContact CE1-CG2 3.96Å
157	T	93.8	Very high	82.8	Confident	45 Å²	45	66 Å²	66	28%	0.276	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-11.5	178.6	63.4	0	0	0	0	113.4	T105 Q168	T105-T157 HydrophobicContact CG2-CG2 4.11Å; T157-Q168 HydrophobicContact CG2-CG 4.12Å; T157-Q168 PolarHBondContact N-O 3.02Å; T157-Q168 WeakPolarHBondContact OG1-CB 3.33Å; T157-Q168 PolarHBondContact OG1-O 2.92Å; T157-Q168 PolarHBondContact OG1-OE1 3.07Å
158	G	92.8	Very high	84.7	Confident	16 Å²	16	63.7 Å²	63.7	17%	0.165	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.1	-1.2	-171.3	0	0	0	0	0	115.1	D120 C123 I125 F156	D120-G158 WeakPolarHBondContact CB-O 3.42Å; C123-G158 VanDerWaalsContact O-CA 3.26Å; C123-G158 WeakPolarHBondContact O-CA 3.35Å; I125-G158 VanDerWaalsContact CG1-CA 3.48Å; F156-G158 VanDerWaalsContact C-N 3.35Å
159	K	94.5	Very high	86.7	Confident	125 Å²	125	57 Å²	57	54%	0.543	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.9	-175.4	-65.3	-175.5	176.8	-178.3	0	111.5	Q168	K159-Q168 HydrophobicContact CB-CB 4.23Å; K159-Q168 WeakPolarHBondContact O-CB 3.41Å; K159-Q168 PolarHBondContact O-N 3.09Å
160	C	93.5	Very high	88.6	Confident	9 Å²	9	55.9 Å²	55.9	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.1	170.3	-178.6	0	0	0	0	110.1	C117 D120 I162	C117-C160 HydrophobicContact CB-CB 3.78Å; C117-C160 WeakPolarHBondContact CB-SG 3.48Å; C117-C160 PolarHBondContact O-SG 2.86Å; C117-C160 VanDerWaalsContact O-SG 3.34Å; C117-C160 WeakPolarHBondContact SG-CA 3.2Å; C117-C160 WeakPolarHBondContact SG-CB 3.33Å; C117-C160 CovalentContact SG-SG 2.02Å; C117-C160 PolarHBondContact SG-SG 3.02Å; D120-C160 WeakPolarHBondContact OD1-CB 3.44Å; D120-C160 PolarHBondContact OD1-N 3.38Å; C160-I162 PolarHBondContact O-N 3.04Å; C160-I162 VanDerWaalsContact O-N 3.08Å
161	L	92	Very high	89.9	Confident	53 Å²	53	55 Å²	55	28%	0.277	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	95.3	174.9	-63.9	173.9	0	0	0	109.2	H163 S164 K165 K166 Q168	L161-H163 PolarHBondContact O-N 2.87Å; L161-H163 VanDerWaalsContact O-N 3.09Å; L161-S164 WeakPolarHBondContact CB-OG 3.23Å; L161-S164 PolarHBondContact O-N 3.48Å; L161-S164 VanDerWaalsContact O-N 3.08Å; L161-S164 PolarHBondContact O-OG 3.38Å; L161-K165 WeakPolarHBondContact O-CA 3.14Å; L161-K165 PolarHBondContact O-N 2.75Å; L161-K166 WeakPolarHBondContact CB-O 3.4Å; L161-K166 PolarHBondContact N-O 3.42Å; L161-Q168 HydrophobicContact CD1-CB 4.26Å; L161-Q168 HydrophobicContact CD2-CB 4.34Å; L161-Q168 HydrophobicContact CG-CB 4.02Å
162	I	86.1	Confident	90.6	Very high	139 Å²	139	52.8 Å²	52.8	71%	0.713	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35	-175.1	-59.1	167.8	0	0	0	112.5	C160	C160-I162 PolarHBondContact O-N 3.04Å; C160-I162 VanDerWaalsContact O-N 3.08Å
163	H	85.8	Confident	90.9	Very high	189 Å²	189	51.9 Å²	51.9	88%	0.875	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-38.8	-178.9	-172.4	54.8	0	0	0	113	L161	L161-H163 PolarHBondContact O-N 2.87Å; L161-H163 VanDerWaalsContact O-N 3.09Å
164	S	84.8	Confident	90.9	Very high	43 Å²	43	51.9 Å²	51.9	30%	0.301	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.4	179	52.8	0	0	0	0	113.3	L161 K166	L161-S164 WeakPolarHBondContact CB-OG 3.23Å; L161-S164 PolarHBondContact O-N 3.48Å; L161-S164 VanDerWaalsContact O-N 3.08Å; L161-S164 PolarHBondContact O-OG 3.38Å; S164-K166 VanDerWaalsContact C-N 3.29Å; S164-K166 WeakPolarHBondContact O-CG 3.01Å
165	K	89.6	Confident	90.7	Very high	123 Å²	123	51.3 Å²	51.3	54%	0.535	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	39.2	-169.7	-62.1	-172.2	177.5	-170.4	0	113.2	L116 C117 L161	L116-K165 WeakPolarHBondContact CA-O 3.27Å; C117-K165 PolarHBondContact N-O 3.29Å; C117-K165 CarbonylContact O-C 3.49Å; C117-K165 WeakPolarHBondContact O-CA 3.21Å; C117-K165 WeakPolarHBondContact O-CB 3.4Å; L161-K165 WeakPolarHBondContact O-CA 3.14Å; L161-K165 PolarHBondContact O-N 2.75Å
166	K	90.4	Very high	89.8	Confident	21 Å²	21	48.4 Å²	48.4	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.6	-178.2	-50.3	-171.7	-164.9	177.7	0	111.4	E108 A115 C117 L161 S164 D178	E108-K166 WeakPolarHBondContact O-CD 3.21Å; A115-K166 CarbonylContact O-C 3.49Å; A115-K166 WeakPolarHBondContact O-CA 3.29Å; C117-K166 PolarHBondContact SG-O 3.31Å; L161-K166 WeakPolarHBondContact CB-O 3.4Å; L161-K166 PolarHBondContact N-O 3.42Å; S164-K166 VanDerWaalsContact C-N 3.29Å; S164-K166 WeakPolarHBondContact O-CG 3.01Å; K166-D178 IonicContact NZ-OD1 2.68Å
167	C	92.3	Very high	88.7	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	138.4	174.4	-68.1	0	0	0	0	110.6	E108 A115 C117 C123 F156	E108-C167 PolarHBondContact N-O 3.23Å; E108-C167 VanDerWaalsContact N-O 3.08Å; A115-C167 PolarHBondContact O-N 3.36Å; C117-C167 PolarHBondContact SG-N 2.92Å; C117-C167 VanDerWaalsContact SG-N 3.39Å; C123-C167 VanDerWaalsContact CA-SG 3.58Å; C123-C167 HydrophobicContact CB-CB 3.83Å; C123-C167 WeakPolarHBondContact CB-SG 2.94Å; C123-C167 WeakPolarHBondContact SG-CA 3.43Å; C123-C167 WeakPolarHBondContact SG-CB 3.38Å; C123-C167 CovalentContact SG-SG 2.04Å; C123-C167 PolarHBondContact SG-SG 3.05Å; F156-C167 HydrophobicContact CD1-CB 4.19Å; F156-C167 HydrophobicContact CD2-CB 4.09Å; F156-C167 HydrophobicContact CE1-CB 3.96Å; F156-C167 HydrophobicContact CE2-CB 3.85Å; F156-C167 VanDerWaalsContact CE2-SG 3.55Å; F156-C167 HydrophobicContact CG-CB 4.24Å; F156-C167 HydrophobicContact CZ-CB 3.79Å
168	Q	93.9	Very high	87.3	Confident	32 Å²	32	48.1 Å²	48.1	15%	0.15	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.5	171.9	-175.4	-178.3	42.5	0	0	109.2	T105 C106 T157 K159 L161	T105-Q168 PolarHBondContact OG1-NE2 3.05Å; C106-Q168 CarbonylContact O-C 3.39Å; C106-Q168 WeakPolarHBondContact O-CA 3.49Å; T157-Q168 HydrophobicContact CG2-CG 4.12Å; T157-Q168 PolarHBondContact N-O 3.02Å; T157-Q168 WeakPolarHBondContact OG1-CB 3.33Å; T157-Q168 PolarHBondContact OG1-O 2.92Å; T157-Q168 PolarHBondContact OG1-OE1 3.07Å; K159-Q168 HydrophobicContact CB-CB 4.23Å; K159-Q168 WeakPolarHBondContact O-CB 3.41Å; K159-Q168 PolarHBondContact O-N 3.09Å; L161-Q168 HydrophobicContact CD1-CB 4.26Å; L161-Q168 HydrophobicContact CD2-CB 4.34Å; L161-Q168 HydrophobicContact CG-CB 4.02Å
169	I	93.6	Very high	86	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152.1	178.3	65.9	172.9	0	0	0	111.2	T105 C106 E108 H153 I155 F156 T175	T105-I169 WeakPolarHBondContact CA-O 3.46Å; C106-I169 PolarHBondContact N-O 3.23Å; C106-I169 VanDerWaalsContact N-O 3.11Å; C106-I169 WeakPolarHBondContact O-CG1 3.09Å; C106-I169 PolarHBondContact O-N 2.78Å; E108-I169 HydrophobicContact CB-CG2 3.8Å; E108-I169 HydrophobicContact CG-CG2 4.17Å; H153-I169 HydrophobicContact CB-CD1 3.82Å; I155-I169 CarbonylContact O-C 3.53Å; I155-I169 WeakPolarHBondContact O-CA 3.43Å; F156-I169 HydrophobicContact CD1-CG2 3.73Å; F156-I169 HydrophobicContact CE1-CG2 3.96Å; I169-T175 HydrophobicContact CD1-CG2 3.83Å
170	Y	93	Very high	84.5	Confident	109 Å²	109	47.8 Å²	47.8	43%	0.427	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.5	161.9	-178.2	-104.3	0	0	0	108.9	M103 T105 I155	M103-Y170 HydrophobicContact CE-CD1 4.45Å; M103-Y170 HydrophobicContact CE-CE1 3.64Å; T105-Y170 HydrophobicContact CG2-CD2 3.89Å; I155-Y170 PolarHBondContact N-O 3.08Å; I155-Y170 VanDerWaalsContact N-O 3.17Å; I155-Y170 PolarHBondContact O-N 3.45Å
171	G	90.9	Very high	83	Confident	6 Å²	6	54.4 Å²	54.4	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-152.8	-172.6	0	0	0	0	0	112.3	M103 T104	M103-G171 WeakPolarHBondContact CA-O 2.99Å; T104-G171 PolarHBondContact N-O 3.15Å; T104-G171 PolarHBondContact O-N 2.68Å; T104-G171 VanDerWaalsContact O-N 3.11Å; T104-G171 VanDerWaalsContact O-O 3.05Å
172	W	88.3	Confident	81.6	Confident	44 Å²	44	56.2 Å²	56.2	17%	0.167	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.7	176.7	-72	100	0	0	0	110.5	Q101 Y393 R404 R406	Q101-W172 HydrophobicContact CB-CB 4.15Å; Q101-W172 HydrophobicContact CB-CE3 4.08Å; Q101-W172 PolarHBondContact NE2-O 3.18Å; W172-Y393 HydrophobicContact CH2-CD1 4.13Å; W172-Y393 AromaticContact CH2-CE1 3.77Å; W172-Y393 HydrophobicContact CH2-CE1 3.77Å; W172-Y393 HydrophobicContact CZ2-CD1 4.46Å; W172-Y393 AromaticContact CZ2-CE1 3.68Å; W172-Y393 HydrophobicContact CZ2-CE1 3.68Å; W172-R404 HydrophobicContact CH2-CB 4.28Å; W172-R406 VanDerWaalsContact CD1-NH2 3.33Å; W172-R406 VanDerWaalsContact CD2-CD 3.48Å; W172-R406 HydrophobicContact CD2-CG 4.08Å; W172-R406 VanDerWaalsContact CD2-CZ 3.48Å; W172-R406 HydrophobicContact CE3-CB 4.43Å; W172-R406 HydrophobicContact CE3-CG 3.55Å; W172-R406 VanDerWaalsContact CG-NE 3.28Å; W172-R406 HydrophobicContact CH2-CB 4.29Å; W172-R406 HydrophobicContact CH2-CG 4.18Å; W172-R406 HydrophobicContact CZ3-CB 3.99Å; W172-R406 HydrophobicContact CZ3-CG 3.61Å
173	C	88.7	Confident	80.3	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.7	-170	-66.1	0	0	0	0	111.8	Q101 R102 T104 T105 C106	Q101-C173 CarbonylContact C-O 3.54Å; Q101-C173 VanDerWaalsContact CA-O 3.28Å; Q101-C173 WeakPolarHBondContact CA-O 3.38Å; R102-C173 PolarHBondContact N-O 2.9Å; R102-C173 PolarHBondContact O-N 3.01Å; T104-C173 HydrophobicContact CG2-CB 3.52Å; T104-C173 PolarHBondContact O-SG 2.92Å; T104-C173 VanDerWaalsContact O-SG 3.35Å; T105-C173 VanDerWaalsContact C-SG 3.6Å; C106-C173 HydrophobicContact CB-CB 3.5Å; C106-C173 WeakPolarHBondContact CB-SG 3.49Å; C106-C173 PolarHBondContact N-SG 3.16Å; C106-C173 WeakPolarHBondContact SG-CB 3.09Å; C106-C173 CovalentContact SG-SG 2.02Å; C106-C173 PolarHBondContact SG-SG 3.3Å
174	P	88.1	Confident	79.1	Confident	44 Å²	44	45.8 Å²	45.8	29%	0.286	21%	0.21	S	C	.	.	S	Bend	cis	-70.6	156	0.2	30.3	-35	0	0	0	112.8	V99 I100 Q101 D178 Y179	V99-P174 HydrophobicContact CG1-CG 3.92Å; I100-P174 WeakPolarHBondContact O-CD 3.5Å; Q101-P174 PolarHBondContact NE2-O 2.89Å; P174-D178 HydrophobicContact CB-CB 4.21Å; P174-Y179 HydrophobicContact CG-CD2 4.25Å
175	T	84.8	Confident	77.8	Confident	0 Å²	0	50 Å²	50	0%	0	22%	0.223	C	C	.	.			trans	-66	164	167.6	54.1	0	0	0	0	109.4	S107 H153 I169 D177 D178 Y179	S107-T175 WeakPolarHBondContact O-CG2 3.22Å; S107-T175 PolarHBondContact O-OG1 3Å; H153-T175 HydrophobicContact CB-CG2 3.91Å; I169-T175 HydrophobicContact CD1-CG2 3.83Å; T175-D177 VanDerWaalsContact C-N 3.31Å; T175-D177 PolarHBondContact O-N 3.13Å; T175-D178 PolarHBondContact O-N 3.35Å; T175-D178 WeakPolarHBondContact OG1-CB 3.3Å; T175-D178 VanDerWaalsContact OG1-CG 3.26Å; T175-D178 PolarHBondContact OG1-OD2 3.21Å; T175-Y179 PolarHBondContact O-N 3.11Å
176	T	74.8	Confident	76.1	Confident	12 Å²	12	49.6 Å²	49.6	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-39.4	-175.3	46.5	0	0	0	0	112.3	H97 V99 Y179 E180 L408	H97-T176 VanDerWaalsContact NE2-CG2 3.29Å; H97-T176 WeakPolarHBondContact NE2-CG2 3.41Å; V99-T176 HydrophobicContact CG2-CG2 4.21Å; T176-Y179 PolarHBondContact O-N 3.12Å; T176-E180 PolarHBondContact O-N 3.24Å; T176-E180 VanDerWaalsContact O-N 3.1Å; T176-L408 HydrophobicContact CG2-CD2 4.22Å
177	D	71.1	Confident	74.2	Confident	14 Å²	14	54.3 Å²	54.3	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-75.6	-37.2	-177.7	-49.3	-51.9	0	0	0	111.3	S109 D110 K111 T175 Y179 E180 Y181	S109-D177 WeakPolarHBondContact CB-OD2 3.45Å; S109-D177 PolarHBondContact OG-OD2 2.83Å; D110-D177 WeakPolarHBondContact OD1-CB 3.18Å; K111-D177 WeakPolarHBondContact CE-OD1 3.35Å; K111-D177 IonicContact NZ-OD1 2.92Å; K111-D177 PolarHBondContact NZ-OD1 3.38Å; T175-D177 VanDerWaalsContact C-N 3.31Å; T175-D177 PolarHBondContact O-N 3.13Å; D177-Y179 PolarHBondContact O-N 3.19Å; D177-E180 PolarHBondContact O-N 3.33Å; D177-Y181 PolarHBondContact O-N 3.03Å
178	D	64.3	Low	72.2	Confident	27 Å²	27	61.4 Å²	61.4	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-36.2	173.1	-76.6	-3.5	0	0	0	110.9	S107 K166 P174 T175 E182	S107-D178 WeakPolarHBondContact CB-OD2 2.99Å; S107-D178 PolarHBondContact OG-OD1 2.78Å; S107-D178 PolarHBondContact OG-OD2 2.78Å; K166-D178 IonicContact NZ-OD1 2.68Å; P174-D178 HydrophobicContact CB-CB 4.21Å; T175-D178 PolarHBondContact O-N 3.35Å; T175-D178 WeakPolarHBondContact OG1-CB 3.3Å; T175-D178 VanDerWaalsContact OG1-CG 3.26Å; T175-D178 PolarHBondContact OG1-OD2 3.21Å; D178-E182 WeakPolarHBondContact O-CG 3.11Å; D178-E182 PolarHBondContact O-N 2.72Å
179	Y	65.3	Low	69.7	Low	35 Å²	35	68.8 Å²	68.8	14%	0.137	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-41.3	175.3	-173.8	-105	0	0	0	112.6	F98 V99 P174 T175 T176 D177 Y181 E182 L183	F98-Y179 WeakPolarHBondContact O-CE1 3.3Å; V99-Y179 HydrophobicContact CB-CD1 4.41Å; V99-Y179 HydrophobicContact CB-CG 4.32Å; V99-Y179 HydrophobicContact CG1-CD1 4.37Å; V99-Y179 HydrophobicContact CG1-CD2 3.96Å; V99-Y179 HydrophobicContact CG1-CG 3.8Å; V99-Y179 HydrophobicContact CG2-CD1 3.67Å; V99-Y179 HydrophobicContact CG2-CE1 4.36Å; V99-Y179 HydrophobicContact CG2-CG 3.86Å; P174-Y179 HydrophobicContact CG-CD2 4.25Å; T175-Y179 PolarHBondContact O-N 3.11Å; T176-Y179 PolarHBondContact O-N 3.12Å; D177-Y179 PolarHBondContact O-N 3.19Å; Y179-Y181 VanDerWaalsContact C-N 3.34Å; Y179-E182 PolarHBondContact O-N 2.82Å; Y179-L183 HydrophobicContact CD1-CD1 3.72Å; Y179-L183 HydrophobicContact CD1-CG 4.28Å; Y179-L183 HydrophobicContact CE1-CD1 3.39Å; Y179-L183 HydrophobicContact CE1-CD2 4.46Å; Y179-L183 HydrophobicContact CE1-CG 3.96Å; Y179-L183 WeakPolarHBondContact O-CG 2.98Å; Y179-L183 PolarHBondContact O-N 2.9Å
180	E	64.2	Low	67.2	Low	99 Å²	99	78.2 Å²	78.2	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-40.3	177.1	-170.3	167.9	-171.3	0	0	111.7	T176 D177 L183 Y184	T176-E180 PolarHBondContact O-N 3.24Å; T176-E180 VanDerWaalsContact O-N 3.1Å; D177-E180 PolarHBondContact O-N 3.33Å; E180-L183 PolarHBondContact O-N 2.94Å; E180-Y184 PolarHBondContact O-N 2.87Å
181	Y	62.1	Low	64.6	Low	148 Å²	148	78.3 Å²	78.3	58%	0.58	35%	0.349	S	S	*	.	H	α-helix	trans	-61.3	-46.1	173.3	-179.6	-100.9	0	0	0	112.5	D177 Y179 L183 Y184 K185	D177-Y181 PolarHBondContact O-N 3.03Å; Y179-Y181 VanDerWaalsContact C-N 3.34Å; Y181-L183 VanDerWaalsContact C-N 3.34Å; Y181-L183 PolarHBondContact O-N 2.82Å; Y181-Y184 WeakPolarHBondContact O-CB 3.12Å; Y181-Y184 PolarHBondContact O-N 3.39Å; Y181-Y184 VanDerWaalsContact O-N 3.13Å; Y181-K185 PolarHBondContact O-N 3.32Å
182	E	60.9	Low	62	Low	91 Å²	91	85.3 Å²	85.3	43%	0.425	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-38.8	177	-74.3	-62.1	156.2	0	0	112.3	D178 Y179 Y184 K185 Q186	D178-E182 WeakPolarHBondContact O-CG 3.11Å; D178-E182 PolarHBondContact O-N 2.72Å; Y179-E182 PolarHBondContact O-N 2.82Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; E182-Y184 PolarHBondContact O-N 3.16Å; E182-K185 PolarHBondContact O-N 2.7Å; E182-Q186 WeakPolarHBondContact O-CG 3.5Å; E182-Q186 PolarHBondContact O-N 3.25Å
183	L	60	Low	59.6	Low	25 Å²	25	91.1 Å²	91.1	13%	0.131	42%	0.418	C	S	.	.	H	α-helix	trans	-61.6	-40.4	172.6	-77.4	172	0	0	0	112	F61 Y179 E180 Y181 Q186 R187	F61-L183 HydrophobicContact CE1-CD2 4.46Å; F61-L183 HydrophobicContact CE2-CD1 4.2Å; F61-L183 HydrophobicContact CZ-CD1 3.98Å; Y179-L183 HydrophobicContact CD1-CD1 3.72Å; Y179-L183 HydrophobicContact CD1-CG 4.28Å; Y179-L183 HydrophobicContact CE1-CD1 3.39Å; Y179-L183 HydrophobicContact CE1-CD2 4.46Å; Y179-L183 HydrophobicContact CE1-CG 3.96Å; Y179-L183 WeakPolarHBondContact O-CG 2.98Å; Y179-L183 PolarHBondContact O-N 2.9Å; E180-L183 PolarHBondContact O-N 2.94Å; Y181-L183 VanDerWaalsContact C-N 3.34Å; Y181-L183 PolarHBondContact O-N 2.82Å; L183-Q186 PolarHBondContact O-N 2.96Å; L183-R187 WeakPolarHBondContact O-CG 3.47Å; L183-R187 PolarHBondContact O-N 3.08Å
184	Y	59.7	Low	57.2	Low	85 Å²	85	98.1 Å²	98.1	33%	0.333	45%	0.454	S	S	.	.	H	α-helix	trans	-64.9	-41.5	178.3	-127	-80	0	0	0	112.2	E180 Y181 E182 Q186 R187 H225	E180-Y184 PolarHBondContact O-N 2.87Å; Y181-Y184 WeakPolarHBondContact O-CB 3.12Å; Y181-Y184 PolarHBondContact O-N 3.39Å; Y181-Y184 VanDerWaalsContact O-N 3.13Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; E182-Y184 PolarHBondContact O-N 3.16Å; Y184-Q186 VanDerWaalsContact C-N 3.34Å; Y184-Q186 PolarHBondContact O-N 2.89Å; Y184-R187 WeakPolarHBondContact O-CB 3.1Å; Y184-R187 PolarHBondContact O-N 3.41Å; Y184-H225 AromaticContact CE2-CE1 3.75Å; Y184-H225 AromaticContact CZ-NE2 3.9Å; Y184-H225 PolarHBondContact OH-CE1 3.43Å; Y184-H225 PolarHBondContact OH-NE2 3.21Å
185	K	57.5	Low	54.7	Low	132 Å²	132	105.2 Å²	105.2	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-62.5	-39.4	178.1	-169.2	176.8	178.2	-177.8	0	112.4	Y181 E182 R187	Y181-K185 PolarHBondContact O-N 3.32Å; E182-K185 PolarHBondContact O-N 2.7Å; K185-R187 VanDerWaalsContact C-N 3.33Å; K185-R187 PolarHBondContact O-N 3.42Å
186	Q	55.1	Low	52.5	Low	113 Å²	113	110.2 Å²	110.2	53%	0.528	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-33.6	176.5	-70.6	178.9	1.2	0	0	112.8	E182 L183 Y184 H188 Y189	E182-Q186 WeakPolarHBondContact O-CG 3.5Å; E182-Q186 PolarHBondContact O-N 3.25Å; L183-Q186 PolarHBondContact O-N 2.96Å; Y184-Q186 VanDerWaalsContact C-N 3.34Å; Y184-Q186 PolarHBondContact O-N 2.89Å; Q186-H188 PolarHBondContact O-N 2.7Å; Q186-Y189 PolarHBondContact O-N 3.25Å
187	R	50.5	Low	50.9	Low	120 Å²	120	114.5 Å²	114.5	45%	0.453	54%	0.541	S	S	.	.	H	α-helix	trans	-66	-33.9	179.4	-75.3	171.3	165.8	172.6	-9.3	113.6	L183 Y184 K185 Y189	L183-R187 WeakPolarHBondContact O-CG 3.47Å; L183-R187 PolarHBondContact O-N 3.08Å; Y184-R187 WeakPolarHBondContact O-CB 3.1Å; Y184-R187 PolarHBondContact O-N 3.41Å; K185-R187 VanDerWaalsContact C-N 3.33Å; K185-R187 PolarHBondContact O-N 3.42Å; R187-Y189 VanDerWaalsContact C-N 3.33Å
188	H	49.1	Very low	49.5	Very low	150 Å²	150	120.8 Å²	120.8	69%	0.694	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-7.4	-178.1	-82.7	-73.4	0	0	0	114.3	Q186 K190	Q186-H188 PolarHBondContact O-N 2.7Å; H188-K190 PolarHBondContact O-N 3.07Å
189	Y	42.7	Very low	48.7	Very low	187 Å²	187	126.1 Å²	126.1	73%	0.733	60%	0.602	S	S	*	*	S	Bend	trans	-73.9	97.6	170.4	-143.4	-94.2	0	0	0	109	Q186 R187 L191	Q186-Y189 PolarHBondContact O-N 3.25Å; R187-Y189 VanDerWaalsContact C-N 3.33Å; Y189-L191 VanDerWaalsContact C-N 3.34Å; Y189-L191 PolarHBondContact O-N 3.24Å
190	K	39.4	Very low	47.7	Very low	198 Å²	198	129.8 Å²	129.8	86%	0.861	62%	0.623	S	S	*	*			trans	-59.8	91.7	178.4	-152.3	179.4	-170.3	-178.7	0	109.2	H188 N192	H188-K190 PolarHBondContact O-N 3.07Å; K190-N192 PolarHBondContact O-N 3.42Å
191	L	40.1	Very low	47	Very low	110 Å²	110	132.8 Å²	132.8	58%	0.576	64%	0.637	S	S	*	*			trans	-69.2	120.4	175.7	-96.9	137.5	0	0	0	109.4	Y63 Y189 L193	Y63-L191 HydrophobicContact CE1-CD1 3.86Å; Y189-L191 VanDerWaalsContact C-N 3.34Å; Y189-L191 PolarHBondContact O-N 3.24Å; L191-L193 PolarHBondContact O-N 3.24Å
192	N	35.9	Very low	46.4	Very low	153 Å²	153	128.6 Å²	128.6	82%	0.818	64%	0.639	S	S	*	*			trans	-55.3	110.1	161.3	-78	-22.3	0	0	0	108	K190 I194	K190-N192 PolarHBondContact O-N 3.42Å; N192-I194 PolarHBondContact O-N 3.22Å
193	L	37.1	Very low	45.9	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	66%	0.657	S	S	*	*			trans	-63.3	97.5	176.9	-82	150.5	0	0	0	109.7	L191	L191-L193 PolarHBondContact O-N 3.24Å
194	I	37.9	Very low	45.3	Very low	151 Å²	151	138.6 Å²	138.6	77%	0.774	67%	0.673	S	S	*	*			trans	-85.4	114.5	157	-57.3	173.8	0	0	0	105.5	N192 P196	N192-I194 PolarHBondContact O-N 3.22Å; I194-P196 WeakPolarHBondContact O-CD 3.37Å
195	K	35.4	Very low	44.7	Very low	192 Å²	192	141.1 Å²	141.1	84%	0.835	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-61.9	120.6	172.3	-77.4	-179.2	176.6	179.8	0	108.3
196	P	39.3	Very low	44.4	Very low	106 Å²	106	144.4 Å²	144.4	69%	0.688	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-66.9	144.5	168.8	28.1	-31.6	0	0	0	109.2	I194 N198	I194-P196 WeakPolarHBondContact O-CD 3.37Å; P196-N198 PolarHBondContact O-N 3.07Å
197	P	42.5	Very low	44.1	Very low	101 Å²	101	144.8 Å²	144.8	66%	0.656	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-61.6	135.7	170.8	25.5	-31.4	0	0	0	109.8	I199	P197-I199 HydrophobicContact CB-CD1 4.49Å; P197-I199 HydrophobicContact CG-CD1 4Å; P197-I199 PolarHBondContact O-N 3.23Å
198	N	40.3	Very low	44.3	Very low	146 Å²	146	149.2 Å²	149.2	78%	0.781	73%	0.725	S	S	*	*			trans	-57.6	105.3	174.8	-81.5	-9.5	0	0	0	110	P196	P196-N198 PolarHBondContact O-N 3.07Å
199	I	48.8	Very low	44.5	Very low	140 Å²	140	146.6 Å²	146.6	72%	0.718	72%	0.716	S	S	*	*			trans	-118.1	2.4	178.2	-70	168.2	0	0	0	112.3	P197	P197-I199 HydrophobicContact CB-CD1 4.49Å; P197-I199 HydrophobicContact CG-CD1 4Å; P197-I199 PolarHBondContact O-N 3.23Å
200	L	44	Very low	45.4	Very low	112 Å²	112	141.3 Å²	141.3	59%	0.586	70%	0.7	S	S	*	*			trans	-125.6	44	-174.8	-64	174.2	0	0	0	114.7	G202	L200-G202 PolarHBondContact O-N 2.98Å
201	E	49.4	Very low	46.4	Very low	161 Å²	161	136.8 Å²	136.8	75%	0.752	69%	0.685	S	S	*	*			trans	-74.9	-2.5	169	-81.4	-178.2	171.9	0	0	113.9
202	G	49.4	Very low	47.5	Very low	60 Å²	60	136 Å²	136	62%	0.619	68%	0.678	S	S	*	*	S	Bend	trans	-86.4	-23.5	-166.3	0	0	0	0	0	118.1	L200	L200-G202 PolarHBondContact O-N 2.98Å
203	Y	51	Low	48.6	Very low	207 Å²	207	130.9 Å²	130.9	81%	0.812	65%	0.65	S	S	*	*	S	Bend	trans	-123.8	-4	-166.2	-90.7	-86.7	0	0	0	116.2
204	Y	46.4	Very low	49.6	Very low	120 Å²	120	126.5 Å²	126.5	47%	0.471	63%	0.628	S	S	.	*			trans	-90	2.9	-178	-72.1	-78.6	0	0	0	115	Y206 F207	Y204-Y206 PolarHBondContact O-N 3.46Å; Y204-F207 HydrophobicContact CD1-CD2 4.49Å; Y204-F207 PolarHBondContact O-N 3.42Å
205	N	47.7	Very low	50.7	Low	137 Å²	137	124.1 Å²	124.1	73%	0.733	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-0.6	179.4	-74.8	-14.3	0	0	0	115.3
206	Y	51.4	Low	51.7	Low	202 Å²	202	117.2 Å²	117.2	79%	0.792	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-15.6	174.7	-71.7	-79.9	0	0	0	113.9	Y204	Y204-Y206 PolarHBondContact O-N 3.46Å
207	F	48.3	Very low	52.3	Low	121 Å²	121	117.4 Å²	117.4	53%	0.531	57%	0.573	S	S	.	*			trans	-103.3	96.1	176.6	-63.2	-79.3	0	0	0	109.3	Y204 D209 L210	Y204-F207 HydrophobicContact CD1-CD2 4.49Å; Y204-F207 PolarHBondContact O-N 3.42Å; F207-D209 PolarHBondContact O-N 3.18Å; F207-L210 HydrophobicContact CB-CD2 3.71Å; F207-L210 HydrophobicContact CB-CG 4.43Å; F207-L210 HydrophobicContact CG-CD2 4.4Å
208	K	54.3	Low	52.8	Low	212 Å²	212	118.3 Å²	118.3	92%	0.922	57%	0.569	S	S	*	*	S	Bend	trans	-72.4	-12.8	-178.9	-71.1	-174.1	176.4	-177	0	114.2
209	D	52.7	Low	53.3	Low	96 Å²	96	116.7 Å²	116.7	51%	0.513	56%	0.559	S	S	.	*			trans	-143.5	114.4	179	-169.1	-4.8	0	0	0	109.5	F207 N211 F212	F207-D209 PolarHBondContact O-N 3.18Å; D209-N211 VanDerWaalsContact OD1-CB 3.22Å; D209-N211 WeakPolarHBondContact OD1-CB 3.19Å; D209-N211 PolarHBondContact OD1-N 3.16Å; D209-N211 PolarHBondContact OD1-ND2 2.79Å; D209-F212 WeakPolarHBondContact O-CD1 3.21Å; D209-F212 VanDerWaalsContact O-CE1 3.29Å; D209-F212 WeakPolarHBondContact O-CE1 3.34Å
210	L	62.1	Low	53.1	Low	75 Å²	75	113.2 Å²	113.2	39%	0.393	54%	0.543	S	S	.	.			trans	-106.6	2.8	178.5	-63.4	168.9	0	0	0	111.7	F207 F212 L213 D214	F207-L210 HydrophobicContact CB-CD2 3.71Å; F207-L210 HydrophobicContact CB-CG 4.43Å; F207-L210 HydrophobicContact CG-CD2 4.4Å; L210-F212 PolarHBondContact O-N 2.87Å; L210-L213 HydrophobicContact CB-CD1 4.44Å; L210-L213 HydrophobicContact CD2-CD1 3.6Å; L210-L213 WeakPolarHBondContact O-CB 3.21Å; L210-L213 PolarHBondContact O-N 2.97Å; L210-D214 PolarHBondContact O-N 3.11Å
211	N	60.5	Low	53	Low	103 Å²	103	115.8 Å²	115.8	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-58.1	-28.2	-176.8	-69	-38.8	0	0	0	112.2	D209 L213 D214 N215	D209-N211 VanDerWaalsContact OD1-CB 3.22Å; D209-N211 WeakPolarHBondContact OD1-CB 3.19Å; D209-N211 PolarHBondContact OD1-N 3.16Å; D209-N211 PolarHBondContact OD1-ND2 2.79Å; N211-L213 VanDerWaalsContact C-N 3.32Å; N211-L213 PolarHBondContact O-N 2.94Å; N211-D214 PolarHBondContact O-N 3.12Å; N211-N215 PolarHBondContact O-N 2.89Å
212	F	63.5	Low	52.4	Low	94 Å²	94	118.4 Å²	118.4	41%	0.412	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-31.7	176.1	78	-88.2	0	0	0	113.1	W57 D209 L210 K216	W57-F212 HydrophobicContact CZ2-CD2 4.43Å; W57-F212 HydrophobicContact CZ2-CE2 4Å; D209-F212 WeakPolarHBondContact O-CD1 3.21Å; D209-F212 VanDerWaalsContact O-CE1 3.29Å; D209-F212 WeakPolarHBondContact O-CE1 3.34Å; L210-F212 PolarHBondContact O-N 2.87Å; F212-K216 PolarHBondContact O-N 1.99Å; F212-K216 VanDerWaalsContact O-N 3.12Å
213	L	58.9	Low	51.7	Low	45 Å²	45	118.2 Å²	118.2	24%	0.236	54%	0.542	C	S	.	.	H	α-helix	trans	-71.3	-38.2	176.4	-65.9	174.9	0	0	0	110.9	W57 L210 N211 K216 R217	W57-L213 HydrophobicContact CH2-CD2 3.42Å; W57-L213 VanDerWaalsContact CH2-CD2 3.42Å; W57-L213 HydrophobicContact CZ2-CD2 3.69Å; W57-L213 HydrophobicContact CZ3-CD2 4.08Å; L210-L213 HydrophobicContact CB-CD1 4.44Å; L210-L213 HydrophobicContact CD2-CD1 3.6Å; L210-L213 WeakPolarHBondContact O-CB 3.21Å; L210-L213 PolarHBondContact O-N 2.97Å; N211-L213 VanDerWaalsContact C-N 3.32Å; N211-L213 PolarHBondContact O-N 2.94Å; L213-K216 PolarHBondContact O-N 3.06Å; L213-R217 WeakPolarHBondContact O-CB 3.25Å; L213-R217 PolarHBondContact O-N 3.4Å
214	D	58.5	Low	51.1	Low	76 Å²	76	116.5 Å²	116.5	41%	0.406	54%	0.541	S	S	.	.	H	α-helix	trans	-70.1	-39.5	177.6	-71.7	-25.5	0	0	0	111.5	L210 N211 K216 R217 Q218	L210-D214 PolarHBondContact O-N 3.11Å; N211-D214 PolarHBondContact O-N 3.12Å; D214-K216 VanDerWaalsContact C-N 3.35Å; D214-K216 PolarHBondContact O-N 2.78Å; D214-R217 PolarHBondContact O-N 3.16Å; D214-Q218 WeakPolarHBondContact O-CG 3.29Å; D214-Q218 PolarHBondContact O-N 3.01Å
215	N	59.8	Low	51.1	Low	101 Å²	101	116.7 Å²	116.7	54%	0.54	55%	0.546	S	S	.	.	H	α-helix	trans	-61.5	-41.3	173	-74.1	-18.5	0	0	0	112.2	N211 L219	N211-N215 PolarHBondContact O-N 2.89Å; N215-L219 PolarHBondContact O-N 2.93Å
216	K	57.3	Low	51.2	Low	46 Å²	46	114.9 Å²	114.9	20%	0.2	54%	0.535	C	S	.	.	H	α-helix	trans	-71.4	-34.9	177.1	-154.4	178.4	-173	178.4	0	111.6	W57 F212 L213 D214 L219 N220 E232	W57-K216 HydrophobicContact CH2-CD 3.46Å; W57-K216 VanDerWaalsContact CH2-CD 3.46Å; W57-K216 HydrophobicContact CZ2-CD 3.66Å; W57-K216 HydrophobicContact CZ3-CD 4.41Å; F212-K216 PolarHBondContact O-N 1.99Å; F212-K216 VanDerWaalsContact O-N 3.12Å; L213-K216 PolarHBondContact O-N 3.06Å; D214-K216 VanDerWaalsContact C-N 3.35Å; D214-K216 PolarHBondContact O-N 2.78Å; K216-L219 WeakPolarHBondContact O-CB 3.49Å; K216-L219 PolarHBondContact O-N 2.89Å; K216-N220 PolarHBondContact O-N 3.22Å; K216-N220 PolarHBondContact O-OD1 2.88Å; K216-E232 IonicContact NZ-OE1 3.58Å; K216-E232 PolarHBondContact NZ-OE1 3.21Å
217	R	52.2	Low	51.8	Low	110 Å²	110	108.8 Å²	108.8	42%	0.415	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-45.7	172.8	-90.2	-178.9	173.2	168.8	-1.2	112.5	L213 D214 L219 N220 E221	L213-R217 WeakPolarHBondContact O-CB 3.25Å; L213-R217 PolarHBondContact O-N 3.4Å; D214-R217 PolarHBondContact O-N 3.16Å; R217-L219 PolarHBondContact O-N 2.85Å; R217-N220 PolarHBondContact O-N 2.63Å; R217-E221 PolarHBondContact O-N 2.73Å; R217-E221 VanDerWaalsContact O-N 3.09Å
218	Q	51.4	Low	52.9	Low	120 Å²	120	104.9 Å²	104.9	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-63.5	-31.4	178	-72.3	-176.1	3.5	0	0	112.7	D214	D214-Q218 WeakPolarHBondContact O-CG 3.29Å; D214-Q218 PolarHBondContact O-N 3.01Å
219	L	51.4	Low	54.2	Low	112 Å²	112	95.4 Å²	95.4	59%	0.586	46%	0.461	S	S	*	.	H	α-helix	trans	-69.3	-45.6	173.2	-102.7	148.1	0	0	0	111.8	N215 K216 R217 E221 R222 T223	N215-L219 PolarHBondContact O-N 2.93Å; K216-L219 WeakPolarHBondContact O-CB 3.49Å; K216-L219 PolarHBondContact O-N 2.89Å; R217-L219 PolarHBondContact O-N 2.85Å; L219-E221 VanDerWaalsContact C-N 3.32Å; L219-E221 PolarHBondContact O-N 2.97Å; L219-R222 PolarHBondContact O-N 2.83Å; L219-R222 VanDerWaalsContact O-N 3.13Å; L219-T223 PolarHBondContact O-N 3.18Å; L219-T223 PolarHBondContact O-OG1 3.29Å
220	N	45.2	Very low	55.8	Low	68 Å²	68	91 Å²	91	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-71.3	-22.7	-177.2	-76.6	24.3	0	0	0	113.9	K216 R217 R222 D228	K216-N220 PolarHBondContact O-N 3.22Å; K216-N220 PolarHBondContact O-OD1 2.88Å; R217-N220 PolarHBondContact O-N 2.63Å; N220-R222 VanDerWaalsContact C-N 3.28Å; N220-D228 PolarHBondContact ND2-OD2 3.2Å; N220-D228 PolarHBondContact OD1-OD2 3.34Å
221	E	42.2	Very low	56.9	Low	165 Å²	165	91.6 Å²	91.6	77%	0.771	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-17.9	172.2	-74	-177.3	174	0	0	113.2	R217 L219	R217-E221 PolarHBondContact O-N 2.73Å; R217-E221 VanDerWaalsContact O-N 3.09Å; L219-E221 VanDerWaalsContact C-N 3.32Å; L219-E221 PolarHBondContact O-N 2.97Å
222	R	37.4	Very low	58.2	Low	216 Å²	216	88.6 Å²	88.6	82%	0.815	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-21.7	179	-69.6	-179.4	179.3	165	1.9	113.7	L219 N220	L219-R222 PolarHBondContact O-N 2.83Å; L219-R222 VanDerWaalsContact O-N 3.13Å; N220-R222 VanDerWaalsContact C-N 3.28Å
223	T	34.4	Very low	59.4	Low	57 Å²	57	84.1 Å²	84.1	35%	0.35	40%	0.4	S	S	.	.			trans	-103.1	82.8	-176.3	48.2	0	0	0	0	111.2	L219 H225	L219-T223 PolarHBondContact O-N 3.18Å; L219-T223 PolarHBondContact O-OG1 3.29Å; T223-H225 PolarHBondContact O-N 3.4Å
224	Q	38.1	Very low	60.9	Low	170 Å²	170	83.6 Å²	83.6	79%	0.794	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-3.3	-173.7	-104.3	175.5	-19.2	0	0	116.8
225	H	45.1	Very low	62.6	Low	124 Å²	124	85.2 Å²	85.2	57%	0.574	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.8	15.2	-173	-90.6	-78.8	0	0	0	117.8	Y184 T223	Y184-H225 AromaticContact CE2-CE1 3.75Å; Y184-H225 AromaticContact CZ-NE2 3.9Å; Y184-H225 PolarHBondContact OH-CE1 3.43Å; Y184-H225 PolarHBondContact OH-NE2 3.21Å; T223-H225 PolarHBondContact O-N 3.4Å
226	L	50.5	Low	64.2	Low	99 Å²	99	80.7 Å²	80.7	52%	0.518	38%	0.381	S	S	.	.			trans	-94.5	123.8	-178.6	-91.7	88.6	0	0	0	113.4	D228	L226-D228 PolarHBondContact O-N 3.29Å
227	I	63.3	Low	65.9	Low	75 Å²	75	79.7 Å²	79.7	39%	0.385	38%	0.379	S	S	.	.			trans	-60.7	92.7	159.4	-65.4	155.6	0	0	0	106.5	I95 K96	I95-I227 WeakPolarHBondContact O-CG2 3.47Å; K96-I227 HydrophobicContact CB-CD1 3.98Å; K96-I227 HydrophobicContact CG-CD1 3.99Å; K96-I227 HydrophobicContact CG-CG2 4.44Å
228	D	71.1	Confident	67.9	Low	38 Å²	38	74.5 Å²	74.5	20%	0.203	36%	0.359	C	S	.	.			trans	-68.1	129.5	-178.1	-68.6	-28.1	0	0	0	110.1	N220 L226	N220-D228 PolarHBondContact ND2-OD2 3.2Å; N220-D228 PolarHBondContact OD1-OD2 3.34Å; L226-D228 PolarHBondContact O-N 3.29Å
229	P	83	Confident	70	Confident	13 Å²	13	71 Å²	71	8%	0.084	34%	0.342	C	S	.	.			trans	-71.4	159.8	171.6	30.7	-34	0	0	0	111.6	T93 T94 F231 L300	T93-P229 WeakPolarHBondContact O-CA 3.37Å; T94-P229 HydrophobicContact CG2-CB 3.64Å; P229-F231 HydrophobicContact CG-CD1 4.38Å; P229-F231 HydrophobicContact CG-CE1 3.86Å; P229-F231 HydrophobicContact CG-CE2 4.06Å; P229-F231 HydrophobicContact CG-CZ 3.68Å; P229-F231 WeakPolarHBondContact O-CD2 3.49Å; P229-F231 PolarHBondContact O-N 3.17Å; P229-L300 HydrophobicContact CB-CB 3.8Å; P229-L300 HydrophobicContact CG-CB 4.2Å
230	F	85.5	Confident	72	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.018	31%	0.314	C	S	.	.			trans	-74.6	92.5	169.6	-53.5	-46.6	0	0	0	109.8	A56 K58 L74 I92 T93 I95 E232 I233	A56-F230 HydrophobicContact CB-CB 4.12Å; A56-F230 HydrophobicContact CB-CG 4.22Å; K58-F230 HydrophobicContact CB-CD1 4.16Å; K58-F230 HydrophobicContact CB-CE1 3.57Å; K58-F230 HydrophobicContact CD-CD1 4.34Å; K58-F230 HydrophobicContact CD-CE1 3.47Å; K58-F230 VanDerWaalsContact CD-CE1 3.47Å; K58-F230 HydrophobicContact CD-CZ 4.2Å; K58-F230 HydrophobicContact CG-CE1 4.13Å; L74-F230 HydrophobicContact CD1-CD1 4.41Å; L74-F230 HydrophobicContact CD1-CE1 3.57Å; L74-F230 HydrophobicContact CD1-CE2 3.69Å; L74-F230 HydrophobicContact CD1-CZ 3.15Å; I92-F230 HydrophobicContact CG2-CE2 4.02Å; T93-F230 WeakPolarHBondContact O-CD2 3.34Å; T93-F230 WeakPolarHBondContact O-CG 3.15Å; T93-F230 PolarHBondContact O-N 3.38Å; I95-F230 HydrophobicContact CD1-CE2 4.39Å; I95-F230 HydrophobicContact CD1-CZ 3.69Å; I95-F230 HydrophobicContact CG1-CE2 4.17Å; I95-F230 HydrophobicContact CG1-CZ 3.73Å; F230-E232 PolarHBondContact O-N 3.15Å; F230-I233 HydrophobicContact CB-CD1 3.65Å; F230-I233 HydrophobicContact CB-CG1 3.82Å; F230-I233 HydrophobicContact CD2-CD1 3.95Å; F230-I233 HydrophobicContact CG-CD1 4.32Å; F230-I233 WeakPolarHBondContact O-CB 3.23Å; F230-I233 WeakPolarHBondContact O-CG1 3.29Å; F230-I233 PolarHBondContact O-N 3.32Å
231	F	85.3	Confident	74.4	Confident	87 Å²	87	67.4 Å²	67.4	38%	0.382	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.5	-25.7	178.4	-65.6	-76.2	0	0	0	112.8	P229 I233 I234 L300	P229-F231 HydrophobicContact CG-CD1 4.38Å; P229-F231 HydrophobicContact CG-CE1 3.86Å; P229-F231 HydrophobicContact CG-CE2 4.06Å; P229-F231 HydrophobicContact CG-CZ 3.68Å; P229-F231 WeakPolarHBondContact O-CD2 3.49Å; P229-F231 PolarHBondContact O-N 3.17Å; F231-I233 PolarHBondContact O-N 3.38Å; F231-I234 WeakPolarHBondContact O-CB 3.35Å; F231-I234 WeakPolarHBondContact O-CG1 3.43Å; F231-I234 PolarHBondContact O-N 3.11Å; F231-L300 HydrophobicContact CD1-CD1 4.36Å
232	E	87.9	Confident	76.9	Confident	40 Å²	40	59.5 Å²	59.5	19%	0.187	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-60.8	-25.3	178.5	-62.8	74.4	-163.6	0	0	112.3	A56 W57 K216 F230 I234 N235 F236	A56-E232 HydrophobicContact CB-CB 4.3Å; W57-E232 PolarHBondContact NE1-OE1 3.39Å; K216-E232 IonicContact NZ-OE1 3.58Å; K216-E232 PolarHBondContact NZ-OE1 3.21Å; F230-E232 PolarHBondContact O-N 3.15Å; E232-I234 PolarHBondContact O-N 2.99Å; E232-I234 VanDerWaalsContact O-N 3.14Å; E232-N235 PolarHBondContact O-N 2.71Å; E232-F236 HydrophobicContact CB-CE1 4.27Å; E232-F236 VanDerWaalsContact O-CD1 3.26Å; E232-F236 WeakPolarHBondContact O-CD1 3.49Å; E232-F236 WeakPolarHBondContact O-CE1 3.34Å
233	I	89.9	Confident	79.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.2	178.2	-72.3	178.4	0	0	0	112.3	L91 I92 T93 F230 F231 N235 F236 L285 L300	L91-I233 HydrophobicContact CD2-CG2 3.71Å; I92-I233 WeakPolarHBondContact O-CD1 3.34Å; T93-I233 HydrophobicContact CG2-CD1 3.93Å; F230-I233 HydrophobicContact CB-CD1 3.65Å; F230-I233 HydrophobicContact CB-CG1 3.82Å; F230-I233 HydrophobicContact CD2-CD1 3.95Å; F230-I233 HydrophobicContact CG-CD1 4.32Å; F230-I233 WeakPolarHBondContact O-CB 3.23Å; F230-I233 WeakPolarHBondContact O-CG1 3.29Å; F230-I233 PolarHBondContact O-N 3.32Å; F231-I233 PolarHBondContact O-N 3.38Å; I233-N235 PolarHBondContact O-N 3.03Å; I233-N235 VanDerWaalsContact O-N 3.07Å; I233-F236 HydrophobicContact CB-CD2 4.48Å; I233-F236 HydrophobicContact CG1-CD2 4.1Å; I233-F236 HydrophobicContact CG1-CE2 3.79Å; I233-F236 HydrophobicContact CG1-CZ 4.03Å; I233-F236 WeakPolarHBondContact O-CB 3.25Å; I233-F236 PolarHBondContact O-N 2.99Å; I233-L285 HydrophobicContact CG2-CD1 3.49Å; I233-L285 VanDerWaalsContact CG2-CD1 3.49Å; I233-L285 WeakPolarHBondContact O-CD1 3.23Å; I233-L300 HydrophobicContact CB-CD2 4.07Å; I233-L300 HydrophobicContact CG2-CD2 4.03Å
234	I	90.4	Very high	82.6	Confident	33 Å²	33	49.4 Å²	49.4	17%	0.169	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53.2	-35.4	178.2	-65.9	176.8	0	0	0	111.5	F231 E232 Y286 L300	F231-I234 WeakPolarHBondContact O-CB 3.35Å; F231-I234 WeakPolarHBondContact O-CG1 3.43Å; F231-I234 PolarHBondContact O-N 3.11Å; E232-I234 PolarHBondContact O-N 2.99Å; E232-I234 VanDerWaalsContact O-N 3.14Å; I234-Y286 HydrophobicContact CG2-CD2 3.4Å; I234-Y286 HydrophobicContact CG2-CE2 4.39Å; I234-Y286 HydrophobicContact CG2-CG 3.76Å; I234-Y286 WeakPolarHBondContact O-CB 3.43Å; I234-Y286 PolarHBondContact O-N 3.09Å; I234-L300 HydrophobicContact CD1-CD1 3.81Å; I234-L300 HydrophobicContact CG1-CD1 3.79Å
235	N	92.1	Very high	85.3	Confident	111 Å²	111	44.2 Å²	44.2	59%	0.594	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-92.3	1.6	-178.8	-71.6	-28.9	0	0	0	114	E232 I233	E232-N235 PolarHBondContact O-N 2.71Å; I233-N235 PolarHBondContact O-N 3.03Å; I233-N235 VanDerWaalsContact O-N 3.07Å
236	F	93.9	Very high	87.8	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.022	19%	0.194	C	C	.	.			trans	-68.4	149.6	178	-71.5	12.1	0	0	0	110.2	V52 N53 I55 A56 Y79 L91 E232 I233 R284 L285	V52-F236 HydrophobicContact CG1-CD2 4.18Å; N53-F236 WeakPolarHBondContact O-CA 3.47Å; I55-F236 WeakPolarHBondContact O-CE1 3.49Å; A56-F236 HydrophobicContact CB-CZ 3.83Å; Y79-F236 AromaticContact CD1-CE2 3.83Å; Y79-F236 HydrophobicContact CD1-CE2 3.83Å; Y79-F236 HydrophobicContact CD1-CZ 4.32Å; Y79-F236 HydrophobicContact CD2-CE2 4.31Å; Y79-F236 HydrophobicContact CE1-CD2 4.43Å; Y79-F236 AromaticContact CE1-CE2 3.49Å; Y79-F236 HydrophobicContact CE1-CE2 3.49Å; Y79-F236 VanDerWaalsContact CE1-CE2 3.49Å; Y79-F236 AromaticContact CE1-CZ 3.92Å; Y79-F236 HydrophobicContact CE1-CZ 3.92Å; Y79-F236 HydrophobicContact CE2-CD2 4.31Å; Y79-F236 HydrophobicContact CE2-CE2 4.02Å; Y79-F236 HydrophobicContact CG-CE2 4.23Å; Y79-F236 AromaticContact CZ-CE2 3.61Å; L91-F236 HydrophobicContact CD1-CD2 4.47Å; E232-F236 HydrophobicContact CB-CE1 4.27Å; E232-F236 VanDerWaalsContact O-CD1 3.26Å; E232-F236 WeakPolarHBondContact O-CD1 3.49Å; E232-F236 WeakPolarHBondContact O-CE1 3.34Å; I233-F236 HydrophobicContact CB-CD2 4.48Å; I233-F236 HydrophobicContact CG1-CD2 4.1Å; I233-F236 HydrophobicContact CG1-CE2 3.79Å; I233-F236 HydrophobicContact CG1-CZ 4.03Å; I233-F236 WeakPolarHBondContact O-CB 3.25Å; I233-F236 PolarHBondContact O-N 2.99Å; F236-R284 WeakPolarHBondContact O-CA 3.03Å; F236-L285 HydrophobicContact CB-CD1 3.92Å; F236-L285 PolarHBondContact O-N 2.89Å
237	T	94.4	Very high	89.9	Confident	26 Å²	26	36 Å²	36	16%	0.16	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135	178.6	58.7	0	0	0	0	110.5	N53 L269 F283	N53-T237 PolarHBondContact N-O 3.4Å; N53-T237 PolarHBondContact O-N 2.99Å; T237-L269 HydrophobicContact CG2-CD2 4.16Å; T237-F283 CarbonylContact C-O 3.54Å; T237-F283 VanDerWaalsContact CA-O 3.25Å; T237-F283 WeakPolarHBondContact CA-O 3.42Å
238	I	93.8	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.4	176.2	-57	160.7	0	0	0	107.2	V50 V52 F89 I240 R282 F283 L285 I288 F416	V50-I238 HydrophobicContact CG1-CG2 3.47Å; V50-I238 VanDerWaalsContact CG1-CG2 3.47Å; V52-I238 HydrophobicContact CG2-CG1 4.33Å; F89-I238 HydrophobicContact CE1-CG2 4.13Å; F89-I238 HydrophobicContact CE2-CD1 4.44Å; F89-I238 HydrophobicContact CZ-CD1 3.67Å; F89-I238 HydrophobicContact CZ-CG1 4.01Å; F89-I238 HydrophobicContact CZ-CG2 4.06Å; I238-I240 HydrophobicContact CG2-CD1 4.31Å; I238-I240 HydrophobicContact CG2-CG1 3.79Å; I238-R282 CarbonylContact O-C 3.59Å; I238-R282 VanDerWaalsContact O-CA 3.3Å; I238-R282 WeakPolarHBondContact O-CA 3.49Å; I238-F283 PolarHBondContact N-O 3.42Å; I238-F283 PolarHBondContact O-N 2.82Å; I238-L285 HydrophobicContact CD1-CD2 3.39Å; I238-L285 HydrophobicContact CD1-CG 3.97Å; I238-L285 HydrophobicContact CG1-CD2 4.33Å; I238-L285 HydrophobicContact CG1-CG 4.43Å; I238-I288 HydrophobicContact CD1-CD1 3.97Å; I238-F416 HydrophobicContact CD1-CE1 4.38Å; I238-F416 HydrophobicContact CD1-CZ 4.47Å
239	F	94.3	Very high	92.5	Very high	47 Å²	47	37.5 Å²	37.5	21%	0.206	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.5	171	-176.4	-93.7	0	0	0	109.4	V50 K51 K241 I256 L265 P281 R282	V50-F239 WeakPolarHBondContact CA-O 3.27Å; K51-F239 HydrophobicContact CB-CB 4.42Å; K51-F239 PolarHBondContact N-O 3.19Å; K51-F239 PolarHBondContact O-N 3.48Å; F239-K241 HydrophobicContact CE1-CB 4.28Å; F239-I256 HydrophobicContact CE1-CD1 4.46Å; F239-I256 HydrophobicContact CZ-CD1 4.01Å; F239-L265 HydrophobicContact CE2-CD2 4.34Å; F239-P281 WeakPolarHBondContact CA-O 3.4Å; F239-P281 HydrophobicContact CD2-CG 4.4Å; F239-P281 HydrophobicContact CE2-CB 4.41Å; F239-P281 HydrophobicContact CE2-CG 3.74Å; F239-P281 HydrophobicContact CZ-CG 4.23Å; F239-R282 HydrophobicContact CD2-CB 4.29Å
240	I	94.8	Very high	93	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115	-177.9	-55.6	179.8	0	0	0	109.1	V48 I238 N255 P281 F283 I308 I310 I418	V48-I240 HydrophobicContact CG1-CG2 4.02Å; I238-I240 HydrophobicContact CG2-CD1 4.31Å; I238-I240 HydrophobicContact CG2-CG1 3.79Å; I240-N255 PolarHBondContact O-ND2 2.82Å; I240-P281 PolarHBondContact N-O 3.45Å; I240-P281 VanDerWaalsContact O-CB 3.32Å; I240-P281 WeakPolarHBondContact O-CB 3.46Å; I240-F283 HydrophobicContact CB-CE2 4.2Å; I240-F283 HydrophobicContact CD1-CD2 3.85Å; I240-F283 HydrophobicContact CD1-CE2 3.71Å; I240-F283 HydrophobicContact CG1-CD2 4.08Å; I240-F283 HydrophobicContact CG1-CE2 3.99Å; I240-I308 HydrophobicContact CD1-CD1 3.83Å; I240-I308 HydrophobicContact CD1-CG2 4.08Å; I240-I310 HydrophobicContact CG2-CD1 4.01Å; I240-I418 HydrophobicContact CD1-CD1 4.17Å; I240-I418 HydrophobicContact CG1-CD1 4.47Å; I240-I418 HydrophobicContact CG2-CD1 4.36Å
241	K	94.6	Very high	93.4	Very high	104 Å²	104	44.2 Å²	44.2	45%	0.452	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.9	168.9	-176.3	179.3	178.9	-176.7	0	108.6	V48 A49 F239 I256	V48-K241 WeakPolarHBondContact CA-O 3.42Å; A49-K241 HydrophobicContact CB-CB 4.45Å; A49-K241 PolarHBondContact N-O 3.29Å; A49-K241 PolarHBondContact O-N 3.05Å; F239-K241 HydrophobicContact CE1-CB 4.28Å; K241-I256 HydrophobicContact CD-CD1 4.45Å; K241-I256 HydrophobicContact CG-CD1 4.08Å
242	N	95.6	Very high	93.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.7	176.2	175.6	-122.6	0	0	0	110	G47 S254 N255 I310 W312 V420	G47-N242 WeakPolarHBondContact O-CA 3.45Å; G47-N242 PolarHBondContact O-ND2 3.11Å; N242-S254 VanDerWaalsContact O-CA 3.24Å; N242-S254 WeakPolarHBondContact O-CA 3.43Å; N242-S254 WeakPolarHBondContact O-CB 3.48Å; N242-S254 PolarHBondContact O-OG 2.8Å; N242-N255 HydrophobicContact CB-CB 4.35Å; N242-N255 PolarHBondContact N-OD1 3.09Å; N242-N255 PolarHBondContact O-N 2.95Å; N242-N255 VanDerWaalsContact O-N 3.09Å; N242-N255 PolarHBondContact O-OD1 3.37Å; N242-N255 VanDerWaalsContact O-OD1 3.11Å; N242-I310 HydrophobicContact CB-CD1 3.82Å; N242-W312 PolarHBondContact OD1-NE1 2.93Å; N242-V420 WeakPolarHBondContact ND2-CG2 3.42Å
243	S	95.2	Very high	94.2	Very high	56 Å²	56	46.8 Å²	46.8	39%	0.392	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.3	172.4	-61.8	0	0	0	0	108.4	S46 G47 L253	S46-S243 CarbonylContact C-O 3.59Å; S46-S243 WeakPolarHBondContact CA-O 3.33Å; G47-S243 PolarHBondContact N-O 3.26Å; G47-S243 PolarHBondContact O-N 3.44Å; S243-L253 WeakPolarHBondContact CA-O 3.24Å
244	I	95.6	Very high	94.4	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.5	177.1	63.2	160.1	0	0	0	110.8	P44 I45 F246 K252 L253 W312 V420	P44-I244 HydrophobicContact CB-CB 4.13Å; P44-I244 HydrophobicContact CB-CD1 4.43Å; I45-I244 CarbonylContact O-C 3.52Å; I45-I244 VanDerWaalsContact O-CA 3.27Å; I45-I244 WeakPolarHBondContact O-CA 3.5Å; I244-F246 HydrophobicContact CD1-CE2 3.68Å; I244-F246 HydrophobicContact CD1-CZ 3.95Å; I244-K252 WeakPolarHBondContact O-CA 3.4Å; I244-L253 HydrophobicContact CD1-CB 4.26Å; I244-L253 HydrophobicContact CD1-CD1 4.36Å; I244-L253 HydrophobicContact CG1-CB 3.81Å; I244-L253 PolarHBondContact N-O 2.87Å; I244-L253 PolarHBondContact O-N 2.84Å; I244-W312 HydrophobicContact CD1-CB 3.91Å; I244-W312 HydrophobicContact CD1-CD2 3.39Å; I244-W312 HydrophobicContact CD1-CE3 3.79Å; I244-W312 HydrophobicContact CD1-CG 3.48Å; I244-W312 VanDerWaalsContact CD1-CG 3.48Å; I244-W312 HydrophobicContact CD1-CZ2 4.34Å; I244-W312 HydrophobicContact CD1-CZ3 4.4Å; I244-W312 HydrophobicContact CG1-CD2 4.26Å; I244-W312 HydrophobicContact CG1-CZ2 4.36Å; I244-V420 HydrophobicContact CG2-CG1 3.75Å
245	E	95.8	Very high	94.6	Very high	60 Å²	60	46.8 Å²	46.8	28%	0.28	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.7	172.7	178.7	165.8	-159.6	0	0	109.4	P44 I45 P247 I251 K252	P44-E245 CarbonylContact C-O 3.52Å; P44-E245 VanDerWaalsContact CA-O 3.24Å; P44-E245 WeakPolarHBondContact CA-O 3.06Å; I45-E245 PolarHBondContact N-O 3.17Å; I45-E245 PolarHBondContact O-N 3.18Å; E245-P247 WeakPolarHBondContact O-CD 3.14Å; E245-I251 WeakPolarHBondContact CA-O 3.42Å; E245-K252 HydrophobicContact CB-CG 4.15Å; E245-K252 HydrophobicContact CG-CG 3.92Å; E245-K252 WeakPolarHBondContact OE1-CE 3.44Å; E245-K252 IonicContact OE1-NZ 3.76Å; E245-K252 WeakPolarHBondContact OE2-CE 3.33Å; E245-K252 IonicContact OE2-NZ 3.81Å
246	F	96.3	Very high	94.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	99.4	168.6	-66.1	-74.3	0	0	0	108.3	D42 P44 I244 L248 F249 N250 I251 L253 A424	D42-F246 HydrophobicContact CB-CD1 4.4Å; D42-F246 WeakPolarHBondContact OD2-CA 3.37Å; D42-F246 WeakPolarHBondContact OD2-CB 3.38Å; P44-F246 HydrophobicContact CB-CD1 3.9Å; P44-F246 HydrophobicContact CB-CE1 3.59Å; P44-F246 HydrophobicContact CB-CZ 4.01Å; P44-F246 HydrophobicContact CG-CE1 3.86Å; P44-F246 HydrophobicContact CG-CZ 4.31Å; I244-F246 HydrophobicContact CD1-CE2 3.68Å; I244-F246 HydrophobicContact CD1-CZ 3.95Å; F246-L248 VanDerWaalsContact C-N 3.29Å; F246-L248 PolarHBondContact O-N 3.38Å; F246-F249 HydrophobicContact CB-CD2 4.1Å; F246-F249 PolarHBondContact O-N 3.15Å; F246-N250 PolarHBondContact O-N 3.32Å; F246-I251 PolarHBondContact N-O 2.85Å; F246-I251 PolarHBondContact O-N 3.15Å; F246-L253 HydrophobicContact CE2-CD1 4.38Å; F246-A424 HydrophobicContact CB-CB 4.38Å; F246-A424 HydrophobicContact CD1-CB 3.38Å; F246-A424 HydrophobicContact CD2-CB 3.78Å; F246-A424 HydrophobicContact CE1-CB 3.36Å; F246-A424 HydrophobicContact CE2-CB 3.78Å; F246-A424 HydrophobicContact CG-CB 3.58Å; F246-A424 HydrophobicContact CZ-CB 3.58Å
247	P	95.9	Very high	94.7	Very high	52 Å²	52	44.8 Å²	44.8	34%	0.338	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.1	-171.1	-22.6	35.2	0	0	0	113.3	D42 I45 E245 F249 N250	D42-P247 WeakPolarHBondContact OD2-CD 3.31Å; I45-P247 HydrophobicContact CD1-CG 3.54Å; I45-P247 HydrophobicContact CG1-CG 3.85Å; E245-P247 WeakPolarHBondContact O-CD 3.14Å; P247-F249 PolarHBondContact O-N 2.91Å; P247-N250 PolarHBondContact O-N 2.93Å; P247-N250 PolarHBondContact O-OD1 3.23Å
248	L	94.7	Very high	94.6	Very high	107 Å²	107	54.2 Å²	54.2	56%	0.56	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.4	-179.7	-172.4	65.4	0	0	0	111.9	D42 F246	D42-L248 HydrophobicContact CB-CB 3.74Å; D42-L248 HydrophobicContact CB-CD2 4.08Å; D42-L248 WeakPolarHBondContact OD2-CB 3.44Å; D42-L248 PolarHBondContact OD2-N 3.24Å; F246-L248 VanDerWaalsContact C-N 3.29Å; F246-L248 PolarHBondContact O-N 3.38Å
249	F	93.7	Very high	94.5	Very high	37 Å²	37	60 Å²	60	16%	0.162	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-5.8	-176.8	-53.3	-56.9	0	0	0	113.4	T40 D42 F246 P247 I251 L316 A424 K426	T40-F249 WeakPolarHBondContact O-CZ 3.37Å; D42-F249 HydrophobicContact CB-CD2 3.91Å; D42-F249 HydrophobicContact CB-CE2 3.46Å; D42-F249 VanDerWaalsContact CB-CE2 3.46Å; D42-F249 HydrophobicContact CB-CZ 4.22Å; F246-F249 HydrophobicContact CB-CD2 4.1Å; F246-F249 PolarHBondContact O-N 3.15Å; P247-F249 PolarHBondContact O-N 2.91Å; F249-I251 VanDerWaalsContact C-N 3.26Å; F249-I251 HydrophobicContact CB-CD1 4.08Å; F249-I251 HydrophobicContact CB-CG1 4.07Å; F249-I251 PolarHBondContact O-N 2.84Å; F249-L316 HydrophobicContact CB-CD1 3.98Å; F249-L316 HydrophobicContact CD1-CD1 4.45Å; F249-L316 HydrophobicContact CD2-CD1 3.3Å; F249-L316 HydrophobicContact CE2-CD1 3.85Å; F249-L316 HydrophobicContact CG-CD1 3.65Å; F249-A424 HydrophobicContact CD2-CB 4.04Å; F249-A424 HydrophobicContact CE2-CB 3.93Å; F249-K426 HydrophobicContact CD1-CB 4.12Å; F249-K426 HydrophobicContact CD1-CD 4.08Å; F249-K426 HydrophobicContact CE1-CB 3.62Å; F249-K426 HydrophobicContact CE1-CD 4.33Å; F249-K426 HydrophobicContact CZ-CB 3.85Å
250	N	93.8	Very high	94.4	Very high	132 Å²	132	58.5 Å²	58.5	71%	0.706	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40	-172.6	-70.6	-29.2	0	0	0	113.2	F246 P247	F246-N250 PolarHBondContact O-N 3.32Å; P247-N250 PolarHBondContact O-N 2.93Å; P247-N250 PolarHBondContact O-OD1 3.23Å
251	I	93.9	Very high	94.4	Very high	26 Å²	26	62.5 Å²	62.5	13%	0.133	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.2	179.8	-62.1	178.4	0	0	0	110	E245 F246 F249 L253 L316 I320	E245-I251 WeakPolarHBondContact CA-O 3.42Å; F246-I251 PolarHBondContact N-O 2.85Å; F246-I251 PolarHBondContact O-N 3.15Å; F249-I251 VanDerWaalsContact C-N 3.26Å; F249-I251 HydrophobicContact CB-CD1 4.08Å; F249-I251 HydrophobicContact CB-CG1 4.07Å; F249-I251 PolarHBondContact O-N 2.84Å; I251-L253 HydrophobicContact CG2-CD1 4.32Å; I251-L253 HydrophobicContact CG2-CD2 4.26Å; I251-L253 HydrophobicContact CG2-CG 4.04Å; I251-L316 HydrophobicContact CD1-CD1 3.71Å; I251-L316 HydrophobicContact CD1-CD2 3.72Å; I251-L316 HydrophobicContact CD1-CG 4.24Å; I251-I320 HydrophobicContact CD1-CD1 4.37Å; I251-I320 HydrophobicContact CG2-CG2 4.35Å
252	K	94.5	Very high	94.3	Very high	149 Å²	149	63.7 Å²	63.7	65%	0.648	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.4	176.6	-64.2	178.9	177.8	-178.3	0	110.7	I244 E245	I244-K252 WeakPolarHBondContact O-CA 3.4Å; E245-K252 HydrophobicContact CB-CG 4.15Å; E245-K252 HydrophobicContact CG-CG 3.92Å; E245-K252 WeakPolarHBondContact OE1-CE 3.44Å; E245-K252 IonicContact OE1-NZ 3.76Å; E245-K252 WeakPolarHBondContact OE2-CE 3.33Å; E245-K252 IonicContact OE2-NZ 3.81Å
253	L	94.6	Very high	94.3	Very high	32 Å²	32	68.9 Å²	68.9	17%	0.168	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	162.1	179.3	-60	170.6	0	0	0	111.2	S243 I244 F246 I251 W312 I320 C323	S243-L253 WeakPolarHBondContact CA-O 3.24Å; I244-L253 HydrophobicContact CD1-CB 4.26Å; I244-L253 HydrophobicContact CD1-CD1 4.36Å; I244-L253 HydrophobicContact CG1-CB 3.81Å; I244-L253 PolarHBondContact N-O 2.87Å; I244-L253 PolarHBondContact O-N 2.84Å; F246-L253 HydrophobicContact CE2-CD1 4.38Å; I251-L253 HydrophobicContact CG2-CD1 4.32Å; I251-L253 HydrophobicContact CG2-CD2 4.26Å; I251-L253 HydrophobicContact CG2-CG 4.04Å; L253-W312 HydrophobicContact CB-CH2 4.46Å; L253-W312 HydrophobicContact CB-CZ3 4.42Å; L253-W312 HydrophobicContact CD1-CZ3 4.46Å; L253-I320 HydrophobicContact CD2-CG2 3.46Å; L253-I320 VanDerWaalsContact CD2-CG2 3.46Å; L253-C323 HydrophobicContact CD1-CB 4.01Å; L253-C323 WeakPolarHBondContact CD1-SG 3.47Å
254	S	94.8	Very high	94.2	Very high	33 Å²	33	68.1 Å²	68.1	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.6	173.3	-177.5	0	0	0	0	109.4	N242 I256	N242-S254 VanDerWaalsContact O-CA 3.24Å; N242-S254 WeakPolarHBondContact O-CA 3.43Å; N242-S254 WeakPolarHBondContact O-CB 3.48Å; N242-S254 PolarHBondContact O-OG 2.8Å; S254-I256 PolarHBondContact O-N 3.07Å; S254-I256 PolarHBondContact OG-N 2.82Å
255	N	95.3	Very high	94.2	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-67.5	-18.7	174	69.3	-29.5	0	0	0	113.2	I240 N242 L257 W312 P325 Y327	I240-N255 PolarHBondContact O-ND2 2.82Å; N242-N255 HydrophobicContact CB-CB 4.35Å; N242-N255 PolarHBondContact N-OD1 3.09Å; N242-N255 PolarHBondContact O-N 2.95Å; N242-N255 VanDerWaalsContact O-N 3.09Å; N242-N255 PolarHBondContact O-OD1 3.37Å; N242-N255 VanDerWaalsContact O-OD1 3.11Å; N255-L257 PolarHBondContact O-N 2.96Å; N255-W312 HydrophobicContact CB-CZ2 4.12Å; N255-P325 HydrophobicContact CB-CB 4.4Å; N255-P325 HydrophobicContact CB-CG 3.94Å; N255-Y327 WeakPolarHBondContact CB-OH 3.42Å; N255-Y327 PolarHBondContact ND2-OH 2.92Å; N255-Y327 VanDerWaalsContact ND2-OH 3.14Å
256	I	94.9	Very high	94	Very high	50 Å²	50	73.3 Å²	73.3	26%	0.256	36%	0.36	S	S	.	.	S	Bend	trans	-80.8	103	171.2	-56.7	174.9	0	0	0	108.4	F239 K241 S254 M260 L265 P281	F239-I256 HydrophobicContact CE1-CD1 4.46Å; F239-I256 HydrophobicContact CZ-CD1 4.01Å; K241-I256 HydrophobicContact CD-CD1 4.45Å; K241-I256 HydrophobicContact CG-CD1 4.08Å; S254-I256 PolarHBondContact O-N 3.07Å; S254-I256 PolarHBondContact OG-N 2.82Å; I256-M260 HydrophobicContact CG2-CB 4.5Å; I256-L265 HydrophobicContact CG2-CD1 4.02Å; I256-P281 HydrophobicContact CG1-CG 4.47Å
257	L	93.1	Very high	93.8	Very high	25 Å²	25	78.5 Å²	78.5	13%	0.131	39%	0.388	C	S	.	.			trans	-76.4	150.4	-176.2	-54.8	178.6	0	0	0	111.3	N255 W259 M260 Y279 L324	N255-L257 PolarHBondContact O-N 2.96Å; L257-W259 HydrophobicContact CB-CG 4.44Å; L257-W259 HydrophobicContact CD1-CZ2 3.89Å; L257-W259 VanDerWaalsContact CD1-NE1 3.26Å; L257-W259 PolarHBondContact O-N 2.8Å; L257-M260 HydrophobicContact CB-CE 4.09Å; L257-M260 HydrophobicContact CB-CG 4.16Å; L257-M260 HydrophobicContact CB-SD 4.19Å; L257-M260 HydrophobicContact CD1-CE 3.89Å; L257-M260 HydrophobicContact CG-CE 3.84Å; L257-M260 HydrophobicContact CG-SD 4.43Å; L257-M260 PolarHBondContact N-SD 2.85Å; L257-M260 VanDerWaalsContact N-SD 3.45Å; L257-M260 VanDerWaalsContact O-CB 3.31Å; L257-M260 WeakPolarHBondContact O-CB 3.43Å; L257-M260 PolarHBondContact O-N 2.8Å; L257-Y279 HydrophobicContact CD1-CG 4.34Å; L257-L324 HydrophobicContact CD1-CD2 3.66Å; L257-L324 HydrophobicContact CD2-CD2 3.6Å; L257-L324 HydrophobicContact CG-CD2 4.31Å
258	K	91.1	Very high	93.8	Very high	223 Å²	223	76.4 Å²	76.4	97%	0.97	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.6	-175	-65.3	-175.3	179.3	-176.9	0	115
259	W	91.3	Very high	93.8	Very high	123 Å²	123	74.5 Å²	74.5	47%	0.466	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.1	178.3	60.9	-98.9	0	0	0	113.2	L257 T261 Y264 I276	L257-W259 HydrophobicContact CB-CG 4.44Å; L257-W259 HydrophobicContact CD1-CZ2 3.89Å; L257-W259 VanDerWaalsContact CD1-NE1 3.26Å; L257-W259 PolarHBondContact O-N 2.8Å; W259-T261 PolarHBondContact O-N 2.89Å; W259-Y264 AromaticContact CH2-CE1 3.94Å; W259-Y264 HydrophobicContact CH2-CE1 3.94Å; W259-Y264 HydrophobicContact CH2-CE2 4.31Å; W259-Y264 AromaticContact CH2-CZ 3.75Å; W259-Y264 HydrophobicContact CZ3-CD1 4.21Å; W259-Y264 HydrophobicContact CZ3-CD2 4.37Å; W259-Y264 AromaticContact CZ3-CE1 3.96Å; W259-Y264 HydrophobicContact CZ3-CE1 3.96Å; W259-Y264 HydrophobicContact CZ3-CE2 4.12Å; W259-Y264 HydrophobicContact CZ3-CG 4.4Å; W259-Y264 AromaticContact CZ3-CZ 3.9Å; W259-I276 HydrophobicContact CH2-CG2 3.39Å; W259-I276 HydrophobicContact CZ2-CG2 4.21Å; W259-I276 HydrophobicContact CZ3-CG2 3.86Å
260	M	93.5	Very high	93.9	Very high	14 Å²	14	73.5 Å²	73.5	7%	0.069	36%	0.36	C	S	.	.			trans	-73.8	109.7	-178.4	-66.2	179.2	176.3	0	0	109.9	I256 L257 Y264 L265 Y279	I256-M260 HydrophobicContact CG2-CB 4.5Å; L257-M260 HydrophobicContact CB-CE 4.09Å; L257-M260 HydrophobicContact CB-CG 4.16Å; L257-M260 HydrophobicContact CB-SD 4.19Å; L257-M260 HydrophobicContact CD1-CE 3.89Å; L257-M260 HydrophobicContact CG-CE 3.84Å; L257-M260 HydrophobicContact CG-SD 4.43Å; L257-M260 PolarHBondContact N-SD 2.85Å; L257-M260 VanDerWaalsContact N-SD 3.45Å; L257-M260 VanDerWaalsContact O-CB 3.31Å; L257-M260 WeakPolarHBondContact O-CB 3.43Å; L257-M260 PolarHBondContact O-N 2.8Å; M260-Y264 HydrophobicContact CB-CD1 3.87Å; M260-Y264 HydrophobicContact CB-CE1 4.28Å; M260-Y264 HydrophobicContact CE-CE1 4.09Å; M260-Y264 HydrophobicContact CG-CD1 3.8Å; M260-Y264 HydrophobicContact CG-CE1 3.7Å; M260-Y264 HydrophobicContact SD-CD1 4.44Å; M260-Y264 HydrophobicContact SD-CE1 3.97Å; M260-L265 HydrophobicContact CB-CD2 4.14Å; M260-L265 HydrophobicContact CB-CG 4.31Å; M260-L265 HydrophobicContact SD-CD2 4.05Å; M260-Y279 WeakPolarHBondContact CE-O 3.19Å
261	T	94.5	Very high	93.9	Very high	84 Å²	84	70.9 Å²	70.9	52%	0.515	35%	0.345	S	S	.	.			trans	-78.6	160.3	175.8	62.7	0	0	0	0	111.2	W259 N263 Y264 L265	W259-T261 PolarHBondContact O-N 2.89Å; T261-N263 PolarHBondContact O-N 3.39Å; T261-Y264 WeakPolarHBondContact O-CB 3.25Å; T261-Y264 PolarHBondContact O-N 3.32Å; T261-Y264 VanDerWaalsContact O-N 3.08Å; T261-Y264 PolarHBondContact OG1-N 3.36Å; T261-L265 PolarHBondContact O-N 3.42Å
262	N	93	Very high	93.8	Very high	129 Å²	129	72.7 Å²	72.7	69%	0.69	36%	0.36	S	S	*	.	H	α-helix	trans	-58.3	-32.8	174.6	-73.6	-18.2	0	0	0	112.7	K266	N262-K266 VanDerWaalsContact O-CG 3.31Å; N262-K266 WeakPolarHBondContact O-CG 3.3Å; N262-K266 PolarHBondContact O-N 2.94Å; N262-K266 VanDerWaalsContact O-N 3.16Å
263	N	94.6	Very high	93.7	Very high	109 Å²	109	75.3 Å²	75.3	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-68	-42.8	175.8	-168.8	46	0	0	0	111.5	T261 K266 N267	T261-N263 PolarHBondContact O-N 3.39Å; N263-K266 PolarHBondContact O-N 2.84Å; N263-N267 PolarHBondContact O-N 3.19Å; N263-N267 PolarHBondContact OD1-ND2 3.05Å
264	Y	94.4	Very high	93.6	Very high	40 Å²	40	77.5 Å²	77.5	16%	0.157	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-49.2	173.8	172.1	-96	0	0	0	111.2	W259 M260 T261 K266 N267 C268 I276 D277	W259-Y264 AromaticContact CH2-CE1 3.94Å; W259-Y264 HydrophobicContact CH2-CE1 3.94Å; W259-Y264 HydrophobicContact CH2-CE2 4.31Å; W259-Y264 AromaticContact CH2-CZ 3.75Å; W259-Y264 HydrophobicContact CZ3-CD1 4.21Å; W259-Y264 HydrophobicContact CZ3-CD2 4.37Å; W259-Y264 AromaticContact CZ3-CE1 3.96Å; W259-Y264 HydrophobicContact CZ3-CE1 3.96Å; W259-Y264 HydrophobicContact CZ3-CE2 4.12Å; W259-Y264 HydrophobicContact CZ3-CG 4.4Å; W259-Y264 AromaticContact CZ3-CZ 3.9Å; M260-Y264 HydrophobicContact CB-CD1 3.87Å; M260-Y264 HydrophobicContact CB-CE1 4.28Å; M260-Y264 HydrophobicContact CE-CE1 4.09Å; M260-Y264 HydrophobicContact CG-CD1 3.8Å; M260-Y264 HydrophobicContact CG-CE1 3.7Å; M260-Y264 HydrophobicContact SD-CD1 4.44Å; M260-Y264 HydrophobicContact SD-CE1 3.97Å; T261-Y264 WeakPolarHBondContact O-CB 3.25Å; T261-Y264 PolarHBondContact O-N 3.32Å; T261-Y264 VanDerWaalsContact O-N 3.08Å; T261-Y264 PolarHBondContact OG1-N 3.36Å; Y264-K266 PolarHBondContact O-N 2.95Å; Y264-K266 VanDerWaalsContact O-N 3.16Å; Y264-N267 PolarHBondContact O-N 3.34Å; Y264-C268 HydrophobicContact CD1-CB 4.18Å; Y264-C268 HydrophobicContact CD2-CB 3.93Å; Y264-C268 HydrophobicContact CE1-CB 3.81Å; Y264-C268 VanDerWaalsContact CE1-SG 3.6Å; Y264-C268 HydrophobicContact CE2-CB 3.52Å; Y264-C268 HydrophobicContact CG-CB 4.24Å; Y264-C268 VanDerWaalsContact CZ-CB 3.47Å; Y264-C268 VanDerWaalsContact O-CB 3.27Å; Y264-C268 WeakPolarHBondContact O-CB 3.44Å; Y264-C268 PolarHBondContact O-N 3.33Å; Y264-I276 HydrophobicContact CE2-CG2 4.27Å; Y264-D277 PolarHBondContact OH-OD1 2.98Å
265	L	93.9	Very high	93.5	Very high	24 Å²	24	80 Å²	80	13%	0.126	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-28	179.9	-68.2	177.9	0	0	0	113.5	F239 I256 M260 T261 P281	F239-L265 HydrophobicContact CE2-CD2 4.34Å; I256-L265 HydrophobicContact CG2-CD1 4.02Å; M260-L265 HydrophobicContact CB-CD2 4.14Å; M260-L265 HydrophobicContact CB-CG 4.31Å; M260-L265 HydrophobicContact SD-CD2 4.05Å; T261-L265 PolarHBondContact O-N 3.42Å; L265-P281 HydrophobicContact CD2-CG 3.83Å
266	K	91.5	Very high	93.3	Very high	151 Å²	151	83.9 Å²	83.9	66%	0.657	42%	0.419	S	S	*	.	H	α-helix	trans	-79.9	-19	175.2	-76.2	179.2	-179.6	-174.6	0	114.2	N262 N263 Y264 R282	N262-K266 VanDerWaalsContact O-CG 3.31Å; N262-K266 WeakPolarHBondContact O-CG 3.3Å; N262-K266 PolarHBondContact O-N 2.94Å; N262-K266 VanDerWaalsContact O-N 3.16Å; N263-K266 PolarHBondContact O-N 2.84Å; Y264-K266 PolarHBondContact O-N 2.95Å; Y264-K266 VanDerWaalsContact O-N 3.16Å; K266-R282 VanDerWaalsContact O-CZ 3.22Å; K266-R282 PolarHBondContact O-NH1 3.05Å; K266-R282 PolarHBondContact O-NH2 2.91Å; K266-R282 VanDerWaalsContact O-NH2 3.13Å
267	N	93	Very high	93.2	Very high	109 Å²	109	83.4 Å²	83.4	58%	0.583	42%	0.417	S	S	*	.	H	α-helix	trans	-121.2	-21.1	-172.8	-66.4	-14.6	0	0	0	113.7	N263 Y264 R282	N263-N267 PolarHBondContact O-N 3.19Å; N263-N267 PolarHBondContact OD1-ND2 3.05Å; Y264-N267 PolarHBondContact O-N 3.34Å; N267-R282 PolarHBondContact O-NH2 3.39Å
268	C	95	Very high	93.3	Very high	8 Å²	8	86 Å²	86	5%	0.054	43%	0.427	C	S	.	.			trans	-67	144.1	-179.1	78.9	0	0	0	0	111.8	Y264 C280 R282	Y264-C268 HydrophobicContact CD1-CB 4.18Å; Y264-C268 HydrophobicContact CD2-CB 3.93Å; Y264-C268 HydrophobicContact CE1-CB 3.81Å; Y264-C268 VanDerWaalsContact CE1-SG 3.6Å; Y264-C268 HydrophobicContact CE2-CB 3.52Å; Y264-C268 HydrophobicContact CG-CB 4.24Å; Y264-C268 VanDerWaalsContact CZ-CB 3.47Å; Y264-C268 VanDerWaalsContact O-CB 3.27Å; Y264-C268 WeakPolarHBondContact O-CB 3.44Å; Y264-C268 PolarHBondContact O-N 3.33Å; C268-C280 HydrophobicContact CB-CB 3.79Å; C268-C280 WeakPolarHBondContact CB-SG 3.28Å; C268-C280 PolarHBondContact O-SG 2.83Å; C268-C280 WeakPolarHBondContact SG-CB 2.96Å; C268-C280 CovalentContact SG-SG 2.05Å; C268-C280 PolarHBondContact SG-SG 3.15Å; C268-R282 PolarHBondContact O-NE 3.39Å; C268-R282 PolarHBondContact O-NH2 3.14Å
269	L	95.2	Very high	93.5	Very high	67 Å²	67	77.4 Å²	77.4	35%	0.351	39%	0.389	S	S	.	.			trans	-128.2	134.6	169.5	-73	171.5	0	0	0	107.3	T237 N271 D277	T237-L269 HydrophobicContact CG2-CD2 4.16Å; L269-N271 PolarHBondContact O-N 2.91Å; L269-D277 WeakPolarHBondContact O-CB 3.45Å
270	Y	96	Very high	93.7	Very high	16 Å²	16	71.6 Å²	71.6	6%	0.063	37%	0.366	C	S	.	.			trans	-58	129.8	-178.9	173.4	-95.6	0	0	0	111.3	D277 K278 R282 F283 L291 Y327 F329	Y270-D277 WeakPolarHBondContact CA-O 3.46Å; Y270-K278 WeakPolarHBondContact CE2-O 3.4Å; Y270-R282 WeakPolarHBondContact CB-O 3.32Å; Y270-R282 PolarHBondContact N-O 3.4Å; Y270-F283 VanDerWaalsContact CB-CD1 3.43Å; Y270-F283 AromaticContact CD1-CD1 3.68Å; Y270-F283 HydrophobicContact CD1-CD1 3.68Å; Y270-F283 AromaticContact CD1-CE1 3.8Å; Y270-F283 HydrophobicContact CD1-CE1 3.8Å; Y270-F283 HydrophobicContact CD2-CD1 4.07Å; Y270-F283 AromaticContact CD2-CE1 3.43Å; Y270-F283 HydrophobicContact CD2-CE1 3.43Å; Y270-F283 VanDerWaalsContact CD2-CE1 3.43Å; Y270-F283 HydrophobicContact CD2-CZ 4.27Å; Y270-F283 HydrophobicContact CE1-CD1 4.46Å; Y270-F283 HydrophobicContact CE1-CE1 4.32Å; Y270-F283 AromaticContact CE2-CE1 3.98Å; Y270-F283 HydrophobicContact CE2-CE1 3.98Å; Y270-F283 AromaticContact CG-CD1 3.44Å; Y270-F283 HydrophobicContact CG-CD1 3.44Å; Y270-F283 VanDerWaalsContact CG-CD1 3.44Å; Y270-F283 AromaticContact CG-CE1 3.32Å; Y270-F283 HydrophobicContact CG-CE1 3.32Å; Y270-F283 HydrophobicContact CG-CZ 4.42Å; Y270-L291 HydrophobicContact CD1-CD1 4.49Å; Y270-L291 HydrophobicContact CE1-CD1 3.87Å; Y270-Y327 HydrophobicContact CD2-CD2 4.15Å; Y270-Y327 AromaticContact CE2-CD2 3.65Å; Y270-Y327 HydrophobicContact CE2-CD2 3.65Å; Y270-Y327 HydrophobicContact CE2-CE2 4.44Å; Y270-Y327 HydrophobicContact CE2-CG 4.32Å; Y270-F329 HydrophobicContact CD1-CE2 4.47Å; Y270-F329 HydrophobicContact CD1-CZ 4.49Å; Y270-F329 AromaticContact CE1-CE2 3.78Å; Y270-F329 HydrophobicContact CE1-CE2 3.78Å; Y270-F329 HydrophobicContact CE1-CZ 4.17Å
271	N	95	Very high	93.8	Very high	76 Å²	76	70.9 Å²	70.9	41%	0.406	36%	0.363	S	S	.	.			trans	-141.3	116	172.5	-177.4	-12	0	0	0	109.7	L269 K273 H274 D277 K278	L269-N271 PolarHBondContact O-N 2.91Å; N271-K273 VanDerWaalsContact C-N 3.25Å; N271-K273 PolarHBondContact O-N 3.2Å; N271-K273 PolarHBondContact OD1-N 3.37Å; N271-H274 HydrophobicContact CB-CB 3.98Å; N271-H274 PolarHBondContact O-N 3.37Å; N271-D277 HydrophobicContact CB-CB 4.36Å; N271-D277 PolarHBondContact N-O 3.18Å; N271-K278 VanDerWaalsContact O-CA 3.25Å; N271-K278 WeakPolarHBondContact O-CA 3.31Å; N271-K278 PolarHBondContact O-N 3.19Å
272	S	91.8	Very high	93.9	Very high	64 Å²	64	68.8 Å²	68.8	45%	0.448	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33	-177.3	-175.5	0	0	0	0	113.4
273	K	91.5	Very high	94	Very high	204 Å²	204	62.7 Å²	62.7	89%	0.887	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.8	-176.6	-63.5	-177.9	-178.9	178.6	0	113.4	N271	N271-K273 VanDerWaalsContact C-N 3.25Å; N271-K273 PolarHBondContact O-N 3.2Å; N271-K273 PolarHBondContact OD1-N 3.37Å
274	H	92.9	Very high	94	Very high	78 Å²	78	61.3 Å²	61.3	36%	0.361	30%	0.3	S	S	.	.	S	Bend	trans	-83	142.5	-174.7	-170	-93.3	0	0	0	111.2	N271 I276 D277 K278	N271-H274 HydrophobicContact CB-CB 3.98Å; N271-H274 PolarHBondContact O-N 3.37Å; H274-I276 PolarHBondContact ND1-N 3.3Å; H274-I276 PolarHBondContact O-N 2.05Å; H274-D277 HydrophobicContact CB-CB 4.09Å; H274-D277 IonicContact CE1-OD2 3.86Å; H274-D277 IonicContact CG-OD2 2.7Å; H274-D277 PolarHBondContact ND1-N 2.84Å; H274-D277 VanDerWaalsContact ND1-N 3.17Å; H274-D277 IonicContact ND1-OD2 2.82Å; H274-K278 VanDerWaalsContact O-CB 3.29Å; H274-K278 WeakPolarHBondContact O-CB 3.24Å; H274-K278 VanDerWaalsContact O-CG 3.27Å; H274-K278 WeakPolarHBondContact O-CG 3.49Å; H274-K278 PolarHBondContact O-N 2.95Å
275	S	91.7	Very high	94	Very high	85 Å²	85	59.4 Å²	59.4	59%	0.594	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-33.3	-172.5	57.3	0	0	0	0	114	K278	S275-K278 WeakPolarHBondContact O-CE 2.93Å
276	I	91.6	Very high	93.9	Very high	83 Å²	83	62.4 Å²	62.4	43%	0.426	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-58.6	-176.4	-60.6	173.2	0	0	0	110.8	W259 Y264 H274 K278 Y279	W259-I276 HydrophobicContact CH2-CG2 3.39Å; W259-I276 HydrophobicContact CZ2-CG2 4.21Å; W259-I276 HydrophobicContact CZ3-CG2 3.86Å; Y264-I276 HydrophobicContact CE2-CG2 4.27Å; H274-I276 PolarHBondContact ND1-N 3.3Å; H274-I276 PolarHBondContact O-N 2.05Å; I276-K278 PolarHBondContact O-N 3.37Å; I276-Y279 WeakPolarHBondContact O-CD2 3.47Å; I276-Y279 PolarHBondContact O-N 3.01Å
277	D	93.6	Very high	94	Very high	40 Å²	40	57.1 Å²	57.1	21%	0.214	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.5	-13.6	-179.8	-64	-22.5	0	0	0	116.2	Y264 L269 Y270 N271 H274 Y279 C280	Y264-D277 PolarHBondContact OH-OD1 2.98Å; L269-D277 WeakPolarHBondContact O-CB 3.45Å; Y270-D277 WeakPolarHBondContact CA-O 3.46Å; N271-D277 HydrophobicContact CB-CB 4.36Å; N271-D277 PolarHBondContact N-O 3.18Å; H274-D277 HydrophobicContact CB-CB 4.09Å; H274-D277 IonicContact CE1-OD2 3.86Å; H274-D277 IonicContact CG-OD2 2.7Å; H274-D277 PolarHBondContact ND1-N 2.84Å; H274-D277 VanDerWaalsContact ND1-N 3.17Å; H274-D277 IonicContact ND1-OD2 2.82Å; D277-Y279 PolarHBondContact O-N 2.77Å; D277-Y279 VanDerWaalsContact O-N 3.11Å; D277-C280 VanDerWaalsContact O-CB 3.29Å; D277-C280 WeakPolarHBondContact O-CB 3.48Å; D277-C280 PolarHBondContact O-N 3.04Å
278	K	94.2	Very high	94	Very high	78 Å²	78	52 Å²	52	34%	0.339	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.3	-18.2	167.1	63.8	171	164.9	161.1	0	113.7	Y270 N271 H274 S275 I276	Y270-K278 WeakPolarHBondContact CE2-O 3.4Å; N271-K278 VanDerWaalsContact O-CA 3.25Å; N271-K278 WeakPolarHBondContact O-CA 3.31Å; N271-K278 PolarHBondContact O-N 3.19Å; H274-K278 VanDerWaalsContact O-CB 3.29Å; H274-K278 WeakPolarHBondContact O-CB 3.24Å; H274-K278 VanDerWaalsContact O-CG 3.27Å; H274-K278 WeakPolarHBondContact O-CG 3.49Å; H274-K278 PolarHBondContact O-N 2.95Å; S275-K278 WeakPolarHBondContact O-CE 2.93Å; I276-K278 PolarHBondContact O-N 3.37Å
279	Y	94.4	Very high	93.8	Very high	44 Å²	44	51.6 Å²	51.6	17%	0.173	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-99.7	-4.9	175.8	-53.3	-61.4	0	0	0	112.9	L257 M260 I276 D277 P281 L324	L257-Y279 HydrophobicContact CD1-CG 4.34Å; M260-Y279 WeakPolarHBondContact CE-O 3.19Å; I276-Y279 WeakPolarHBondContact O-CD2 3.47Å; I276-Y279 PolarHBondContact O-N 3.01Å; D277-Y279 PolarHBondContact O-N 2.77Å; D277-Y279 VanDerWaalsContact O-N 3.11Å; Y279-P281 WeakPolarHBondContact O-CD 3.46Å; Y279-L324 HydrophobicContact CD1-CB 4.38Å; Y279-L324 HydrophobicContact CE1-CB 3.85Å; Y279-L324 HydrophobicContact CE1-CD1 3.87Å; Y279-L324 HydrophobicContact CE1-CG 4.43Å; Y279-L324 HydrophobicContact CE2-CD1 4.15Å; Y279-L324 WeakPolarHBondContact OH-CD1 3.12Å
280	C	96.3	Very high	93.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.			trans	-60.9	125.2	-179.3	175.6	0	0	0	0	110.1	C268 D277 R282	C268-C280 HydrophobicContact CB-CB 3.79Å; C268-C280 WeakPolarHBondContact CB-SG 3.28Å; C268-C280 PolarHBondContact O-SG 2.83Å; C268-C280 WeakPolarHBondContact SG-CB 2.96Å; C268-C280 CovalentContact SG-SG 2.05Å; C268-C280 PolarHBondContact SG-SG 3.15Å; D277-C280 VanDerWaalsContact O-CB 3.29Å; D277-C280 WeakPolarHBondContact O-CB 3.48Å; D277-C280 PolarHBondContact O-N 3.04Å; C280-R282 PolarHBondContact O-N 3.29Å; C280-R282 VanDerWaalsContact O-N 3.15Å
281	P	96	Very high	93.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-80.9	16	-178.9	33.6	-36.8	0	0	0	113.4	F239 I240 I256 L265 Y279 F283	F239-P281 WeakPolarHBondContact CA-O 3.4Å; F239-P281 HydrophobicContact CD2-CG 4.4Å; F239-P281 HydrophobicContact CE2-CB 4.41Å; F239-P281 HydrophobicContact CE2-CG 3.74Å; F239-P281 HydrophobicContact CZ-CG 4.23Å; I240-P281 PolarHBondContact N-O 3.45Å; I240-P281 VanDerWaalsContact O-CB 3.32Å; I240-P281 WeakPolarHBondContact O-CB 3.46Å; I256-P281 HydrophobicContact CG1-CG 4.47Å; L265-P281 HydrophobicContact CD2-CG 3.83Å; Y279-P281 WeakPolarHBondContact O-CD 3.46Å; P281-F283 WeakPolarHBondContact O-CE2 3.27Å
282	R	95.9	Very high	93.1	Very high	39 Å²	39	55 Å²	55	15%	0.147	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.9	-178.4	-169.1	172.8	66.4	170.2	5	110.8	I238 F239 K266 N267 C268 Y270 C280	I238-R282 CarbonylContact O-C 3.59Å; I238-R282 VanDerWaalsContact O-CA 3.3Å; I238-R282 WeakPolarHBondContact O-CA 3.49Å; F239-R282 HydrophobicContact CD2-CB 4.29Å; K266-R282 VanDerWaalsContact O-CZ 3.22Å; K266-R282 PolarHBondContact O-NH1 3.05Å; K266-R282 PolarHBondContact O-NH2 2.91Å; K266-R282 VanDerWaalsContact O-NH2 3.13Å; N267-R282 PolarHBondContact O-NH2 3.39Å; C268-R282 PolarHBondContact O-NE 3.39Å; C268-R282 PolarHBondContact O-NH2 3.14Å; Y270-R282 WeakPolarHBondContact CB-O 3.32Å; Y270-R282 PolarHBondContact N-O 3.4Å; C280-R282 PolarHBondContact O-N 3.29Å; C280-R282 VanDerWaalsContact O-N 3.15Å
283	F	96.2	Very high	92.8	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.8	-172.1	-52.8	-89.1	0	0	0	109.7	T237 I238 I240 Y270 P281 I288 Y327 F329	T237-F283 CarbonylContact C-O 3.54Å; T237-F283 VanDerWaalsContact CA-O 3.25Å; T237-F283 WeakPolarHBondContact CA-O 3.42Å; I238-F283 PolarHBondContact N-O 3.42Å; I238-F283 PolarHBondContact O-N 2.82Å; I240-F283 HydrophobicContact CB-CE2 4.2Å; I240-F283 HydrophobicContact CD1-CD2 3.85Å; I240-F283 HydrophobicContact CD1-CE2 3.71Å; I240-F283 HydrophobicContact CG1-CD2 4.08Å; I240-F283 HydrophobicContact CG1-CE2 3.99Å; Y270-F283 VanDerWaalsContact CB-CD1 3.43Å; Y270-F283 AromaticContact CD1-CD1 3.68Å; Y270-F283 HydrophobicContact CD1-CD1 3.68Å; Y270-F283 AromaticContact CD1-CE1 3.8Å; Y270-F283 HydrophobicContact CD1-CE1 3.8Å; Y270-F283 HydrophobicContact CD2-CD1 4.07Å; Y270-F283 AromaticContact CD2-CE1 3.43Å; Y270-F283 HydrophobicContact CD2-CE1 3.43Å; Y270-F283 VanDerWaalsContact CD2-CE1 3.43Å; Y270-F283 HydrophobicContact CD2-CZ 4.27Å; Y270-F283 HydrophobicContact CE1-CD1 4.46Å; Y270-F283 HydrophobicContact CE1-CE1 4.32Å; Y270-F283 AromaticContact CE2-CE1 3.98Å; Y270-F283 HydrophobicContact CE2-CE1 3.98Å; Y270-F283 AromaticContact CG-CD1 3.44Å; Y270-F283 HydrophobicContact CG-CD1 3.44Å; Y270-F283 VanDerWaalsContact CG-CD1 3.44Å; Y270-F283 AromaticContact CG-CE1 3.32Å; Y270-F283 HydrophobicContact CG-CE1 3.32Å; Y270-F283 HydrophobicContact CG-CZ 4.42Å; P281-F283 WeakPolarHBondContact O-CE2 3.27Å; F283-I288 HydrophobicContact CB-CD1 3.79Å; F283-I288 HydrophobicContact CB-CG1 4.25Å; F283-Y327 HydrophobicContact CE1-CD1 4.34Å; F283-Y327 HydrophobicContact CE1-CD2 4.21Å; F283-Y327 HydrophobicContact CE1-CG 4.06Å; F283-Y327 HydrophobicContact CE2-CE1 4.45Å; F283-Y327 AromaticContact CZ-CD1 3.73Å; F283-Y327 HydrophobicContact CZ-CD1 3.73Å; F283-Y327 HydrophobicContact CZ-CD2 4.01Å; F283-Y327 AromaticContact CZ-CE1 3.76Å; F283-Y327 HydrophobicContact CZ-CE1 3.76Å; F283-Y327 HydrophobicContact CZ-CE2 4.02Å; F283-Y327 AromaticContact CZ-CG 3.85Å; F283-Y327 HydrophobicContact CZ-CG 3.85Å; F283-Y327 AromaticContact CZ-CZ 3.89Å; F283-F329 HydrophobicContact CD1-CE1 4.16Å; F283-F329 AromaticContact CD1-CZ 3.63Å; F283-F329 HydrophobicContact CD1-CZ 3.63Å; F283-F329 HydrophobicContact CE1-CE1 4.37Å; F283-F329 AromaticContact CE1-CZ 3.67Å; F283-F329 HydrophobicContact CE1-CZ 3.67Å
284	R	94.8	Very high	92.2	Very high	79 Å²	79	46.3 Å²	46.3	30%	0.298	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.3	167.9	179.2	175.2	62.9	162.2	4.2	109	F236 Y286 D287 I288	F236-R284 WeakPolarHBondContact O-CA 3.03Å; R284-Y286 VanDerWaalsContact C-N 3.32Å; R284-Y286 PolarHBondContact O-N 2.84Å; R284-D287 WeakPolarHBondContact CB-OD2 3.34Å; R284-D287 IonicContact CZ-OD1 3.85Å; R284-D287 IonicContact CZ-OD2 3.08Å; R284-D287 IonicContact NE-OD1 2.75Å; R284-D287 PolarHBondContact NE-OD1 2.83Å; R284-D287 IonicContact NE-OD2 3.16Å; R284-D287 PolarHBondContact NE-OD2 3.34Å; R284-D287 IonicContact NH2-OD1 3.81Å; R284-D287 PolarHBondContact NH2-OD1 3.29Å; R284-D287 IonicContact NH2-OD2 3.74Å; R284-D287 PolarHBondContact NH2-OD2 3.11Å; R284-D287 PolarHBondContact O-N 2.89Å; R284-D287 VanDerWaalsContact O-N 3.11Å; R284-I288 PolarHBondContact O-N 2.88Å
285	L	93.3	Very high	91.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-40.3	-176.8	-82.5	179.2	0	0	0	113.3	L91 I233 F236 I238 D287 I288 F289 F416	L91-L285 HydrophobicContact CD2-CD1 3.29Å; I233-L285 HydrophobicContact CG2-CD1 3.49Å; I233-L285 VanDerWaalsContact CG2-CD1 3.49Å; I233-L285 WeakPolarHBondContact O-CD1 3.23Å; F236-L285 HydrophobicContact CB-CD1 3.92Å; F236-L285 PolarHBondContact O-N 2.89Å; I238-L285 HydrophobicContact CD1-CD2 3.39Å; I238-L285 HydrophobicContact CD1-CG 3.97Å; I238-L285 HydrophobicContact CG1-CD2 4.33Å; I238-L285 HydrophobicContact CG1-CG 4.43Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 2.76Å; L285-I288 HydrophobicContact CD2-CD1 4.26Å; L285-I288 WeakPolarHBondContact O-CB 3.27Å; L285-I288 PolarHBondContact O-N 2.95Å; L285-F289 HydrophobicContact CB-CE2 4.24Å; L285-F289 HydrophobicContact CB-CZ 4.22Å; L285-F289 HydrophobicContact CD2-CE1 4.42Å; L285-F289 HydrophobicContact CD2-CZ 4.26Å; L285-F289 WeakPolarHBondContact O-CD2 3.47Å; L285-F289 WeakPolarHBondContact O-CG 3.24Å; L285-F289 PolarHBondContact O-N 3.19Å; L285-F416 HydrophobicContact CD2-CE1 3.95Å; L285-F416 HydrophobicContact CD2-CE2 4.09Å; L285-F416 HydrophobicContact CD2-CZ 3.33Å
286	Y	92.9	Very high	91.1	Very high	87 Å²	87	46.8 Å²	46.8	34%	0.341	23%	0.234	S	C	.	.	H	α-helix	trans	-51.7	-46.1	173	-171.8	-113.5	0	0	0	112.9	I234 R284 I288 F289 Q290	I234-Y286 HydrophobicContact CG2-CD2 3.4Å; I234-Y286 HydrophobicContact CG2-CE2 4.39Å; I234-Y286 HydrophobicContact CG2-CG 3.76Å; I234-Y286 WeakPolarHBondContact O-CB 3.43Å; I234-Y286 PolarHBondContact O-N 3.09Å; R284-Y286 VanDerWaalsContact C-N 3.32Å; R284-Y286 PolarHBondContact O-N 2.84Å; Y286-I288 VanDerWaalsContact C-N 3.31Å; Y286-I288 PolarHBondContact O-N 2.94Å; Y286-F289 PolarHBondContact O-N 2.87Å; Y286-Q290 HydrophobicContact CD1-CG 4.14Å; Y286-Q290 HydrophobicContact CE1-CG 3.81Å; Y286-Q290 HydrophobicContact CE2-CG 4.26Å; Y286-Q290 VanDerWaalsContact CZ-NE2 3.33Å; Y286-Q290 WeakPolarHBondContact O-CG 3Å; Y286-Q290 PolarHBondContact O-N 3.09Å; Y286-Q290 PolarHBondContact OH-NE2 2.79Å; Y286-Q290 VanDerWaalsContact OH-NE2 3.15Å
287	D	93	Very high	90.7	Very high	40 Å²	40	48 Å²	48	21%	0.214	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-33.9	-175.6	-60	-31.4	0	0	0	111	R284 L285 Q290 L291	R284-D287 WeakPolarHBondContact CB-OD2 3.34Å; R284-D287 IonicContact CZ-OD1 3.85Å; R284-D287 IonicContact CZ-OD2 3.08Å; R284-D287 IonicContact NE-OD1 2.75Å; R284-D287 PolarHBondContact NE-OD1 2.83Å; R284-D287 IonicContact NE-OD2 3.16Å; R284-D287 PolarHBondContact NE-OD2 3.34Å; R284-D287 IonicContact NH2-OD1 3.81Å; R284-D287 PolarHBondContact NH2-OD1 3.29Å; R284-D287 IonicContact NH2-OD2 3.74Å; R284-D287 PolarHBondContact NH2-OD2 3.11Å; R284-D287 PolarHBondContact O-N 2.89Å; R284-D287 VanDerWaalsContact O-N 3.11Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 2.76Å; D287-Q290 PolarHBondContact O-N 2.98Å; D287-L291 WeakPolarHBondContact O-CB 3.36Å; D287-L291 WeakPolarHBondContact O-CG 3.15Å; D287-L291 PolarHBondContact O-N 2.85Å
288	I	93.3	Very high	90.1	Very high	2 Å²	2	49 Å²	49	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-48	171.8	-66.1	168.5	0	0	0	110.2	I238 F283 R284 L285 Y286 Q290 L291 I292 I306 I308 F329	I238-I288 HydrophobicContact CD1-CD1 3.97Å; F283-I288 HydrophobicContact CB-CD1 3.79Å; F283-I288 HydrophobicContact CB-CG1 4.25Å; R284-I288 PolarHBondContact O-N 2.88Å; L285-I288 HydrophobicContact CD2-CD1 4.26Å; L285-I288 WeakPolarHBondContact O-CB 3.27Å; L285-I288 PolarHBondContact O-N 2.95Å; Y286-I288 VanDerWaalsContact C-N 3.31Å; Y286-I288 PolarHBondContact O-N 2.94Å; I288-Q290 VanDerWaalsContact C-N 3.32Å; I288-Q290 PolarHBondContact O-N 3.24Å; I288-L291 PolarHBondContact O-N 2.86Å; I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 WeakPolarHBondContact O-CG1 2.93Å; I288-I292 PolarHBondContact O-N 3.38Å; I288-I292 VanDerWaalsContact O-N 3.12Å; I288-I306 HydrophobicContact CG2-CG2 4.28Å; I288-I308 HydrophobicContact CD1-CD1 4.45Å; I288-F329 HydrophobicContact CB-CD1 4.48Å; I288-F329 HydrophobicContact CD1-CD1 4.47Å; I288-F329 HydrophobicContact CD1-CE1 4.17Å; I288-F329 HydrophobicContact CG1-CD1 4Å; I288-F329 HydrophobicContact CG1-CE1 3.83Å; I288-F329 HydrophobicContact CG1-CZ 4.33Å; I288-F329 HydrophobicContact CG2-CB 4.32Å; I288-F329 HydrophobicContact CG2-CD1 3.88Å; I288-F329 HydrophobicContact CG2-CG 4.21Å
289	F	91.3	Very high	89.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-39.6	-179.6	-57.1	-27.5	0	0	0	112.3	L285 Y286 I292 G293 I294 L299 I306 I414	L285-F289 HydrophobicContact CB-CE2 4.24Å; L285-F289 HydrophobicContact CB-CZ 4.22Å; L285-F289 HydrophobicContact CD2-CE1 4.42Å; L285-F289 HydrophobicContact CD2-CZ 4.26Å; L285-F289 WeakPolarHBondContact O-CD2 3.47Å; L285-F289 WeakPolarHBondContact O-CG 3.24Å; L285-F289 PolarHBondContact O-N 3.19Å; Y286-F289 PolarHBondContact O-N 2.87Å; F289-I292 PolarHBondContact O-N 2.85Å; F289-G293 PolarHBondContact O-N 3.06Å; F289-I294 PolarHBondContact O-N 3.1Å; F289-L299 HydrophobicContact CD1-CD1 3.82Å; F289-L299 HydrophobicContact CE1-CD1 4.04Å; F289-L299 HydrophobicContact CG-CD1 4.37Å; F289-I306 HydrophobicContact CD1-CD1 3.91Å; F289-I306 HydrophobicContact CE1-CD1 3.6Å; F289-I414 HydrophobicContact CE1-CD1 3.92Å; F289-I414 HydrophobicContact CZ-CD1 3.6Å
290	Q	90.8	Very high	89.3	Confident	102 Å²	102	43.2 Å²	43.2	48%	0.477	22%	0.218	S	C	.	.	H	α-helix	trans	-66.2	-39.2	175.8	-68.4	-63.2	-25.3	0	0	112.5	Y286 D287 I288 I292 G293	Y286-Q290 HydrophobicContact CD1-CG 4.14Å; Y286-Q290 HydrophobicContact CE1-CG 3.81Å; Y286-Q290 HydrophobicContact CE2-CG 4.26Å; Y286-Q290 VanDerWaalsContact CZ-NE2 3.33Å; Y286-Q290 WeakPolarHBondContact O-CG 3Å; Y286-Q290 PolarHBondContact O-N 3.09Å; Y286-Q290 PolarHBondContact OH-NE2 2.79Å; Y286-Q290 VanDerWaalsContact OH-NE2 3.15Å; D287-Q290 PolarHBondContact O-N 2.98Å; I288-Q290 VanDerWaalsContact C-N 3.32Å; I288-Q290 PolarHBondContact O-N 3.24Å; Q290-I292 VanDerWaalsContact C-N 3.31Å; Q290-I292 PolarHBondContact O-N 2.99Å; Q290-G293 PolarHBondContact O-N 3.26Å
291	L	91.1	Very high	88.6	Confident	89 Å²	89	47 Å²	47	47%	0.466	23%	0.234	S	C	.	.	H	α-helix	trans	-68.1	-29	177.8	-74	169.4	0	0	0	113.2	Y270 D287 I288 F329	Y270-L291 HydrophobicContact CD1-CD1 4.49Å; Y270-L291 HydrophobicContact CE1-CD1 3.87Å; D287-L291 WeakPolarHBondContact O-CB 3.36Å; D287-L291 WeakPolarHBondContact O-CG 3.15Å; D287-L291 PolarHBondContact O-N 2.85Å; I288-L291 PolarHBondContact O-N 2.86Å; L291-F329 HydrophobicContact CB-CD2 4.24Å; L291-F329 HydrophobicContact CD1-CD2 3.74Å; L291-F329 HydrophobicContact CD1-CE2 3.67Å
292	I	89.4	Confident	87.8	Confident	38 Å²	38	50.8 Å²	50.8	20%	0.195	25%	0.249	C	C	.	.	H	α-helix	trans	-81.8	-23.6	174.6	-54.3	163	0	0	0	111	I288 F289 Q290 I294 I306 F329 E331	I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 WeakPolarHBondContact O-CG1 2.93Å; I288-I292 PolarHBondContact O-N 3.38Å; I288-I292 VanDerWaalsContact O-N 3.12Å; F289-I292 PolarHBondContact O-N 2.85Å; Q290-I292 VanDerWaalsContact C-N 3.31Å; Q290-I292 PolarHBondContact O-N 2.99Å; I292-I294 HydrophobicContact CB-CD1 3.86Å; I292-I294 HydrophobicContact CB-CG1 4.29Å; I292-I294 HydrophobicContact CD1-CD1 4.49Å; I292-I294 HydrophobicContact CG2-CD1 3.26Å; I292-I294 HydrophobicContact CG2-CG1 3.83Å; I292-I306 HydrophobicContact CD1-CD1 4.09Å; I292-I306 HydrophobicContact CD1-CG1 4.3Å; I292-I306 HydrophobicContact CD1-CG2 3.74Å; I292-F329 HydrophobicContact CD1-CB 4.06Å; I292-F329 HydrophobicContact CG1-CB 3.67Å; I292-E331 HydrophobicContact CG2-CB 4.02Å
293	G	85.4	Confident	87.4	Confident	63 Å²	63	48.9 Å²	48.9	65%	0.649	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	26.9	-179.7	0	0	0	0	0	114.1	F289 Q290	F289-G293 PolarHBondContact O-N 3.06Å; Q290-G293 PolarHBondContact O-N 3.26Å
294	I	77.5	Confident	86.9	Confident	24 Å²	24	48.8 Å²	48.8	12%	0.123	24%	0.242	C	C	.	.			trans	-106.5	141.3	-175	-58.5	156.9	0	0	0	111.2	F289 I292 S296 L299 E331	F289-I294 PolarHBondContact O-N 3.1Å; I292-I294 HydrophobicContact CB-CD1 3.86Å; I292-I294 HydrophobicContact CB-CG1 4.29Å; I292-I294 HydrophobicContact CD1-CD1 4.49Å; I292-I294 HydrophobicContact CG2-CD1 3.26Å; I292-I294 HydrophobicContact CG2-CG1 3.83Å; I294-S296 PolarHBondContact O-N 3.43Å; I294-L299 HydrophobicContact CB-CD1 4.1Å; I294-L299 HydrophobicContact CD1-CD1 4.1Å; I294-L299 HydrophobicContact CG2-CD1 3.65Å; I294-L299 HydrophobicContact CG2-CG 3.91Å; I294-E331 HydrophobicContact CD1-CB 3.54Å; I294-E331 VanDerWaalsContact CD1-CD 3.5Å; I294-E331 HydrophobicContact CD1-CG 4.09Å; I294-E331 WeakPolarHBondContact CD1-OE2 3.4Å; I294-E331 WeakPolarHBondContact CG1-OE2 3.26Å
295	H	79.9	Confident	86.7	Confident	160 Å²	160	46.2 Å²	46.2	74%	0.741	23%	0.234	S	C	*	.			trans	-64.7	117.1	168.8	-64.6	-66.4	0	0	0	111.6	N297 R298	H295-N297 PolarHBondContact O-N 3.28Å; H295-N297 VanDerWaalsContact O-N 3.15Å; H295-R298 PolarHBondContact O-N 2.8Å
296	S	83.3	Confident	86.6	Confident	13 Å²	13	46.2 Å²	46.2	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-33.3	-176.6	-48	0	0	0	0	113.4	I294 R298 L299 L300	I294-S296 PolarHBondContact O-N 3.43Å; S296-R298 VanDerWaalsContact C-N 3.31Å; S296-R298 PolarHBondContact O-N 2.95Å; S296-L299 PolarHBondContact O-N 2.75Å; S296-L300 WeakPolarHBondContact O-CB 3.42Å; S296-L300 VanDerWaalsContact O-CG 3.23Å; S296-L300 WeakPolarHBondContact O-CG 3.14Å; S296-L300 PolarHBondContact O-N 3.32Å
297	N	81.9	Confident	86.6	Confident	109 Å²	109	42.1 Å²	42.1	58%	0.583	22%	0.218	S	C	*	.	H	α-helix	trans	-60.8	-36.7	-178	-69.6	-5.7	0	0	0	113.2	H295 K301	H295-N297 PolarHBondContact O-N 3.28Å; H295-N297 VanDerWaalsContact O-N 3.15Å; N297-K301 VanDerWaalsContact O-CB 3.31Å; N297-K301 WeakPolarHBondContact O-CB 3.49Å; N297-K301 PolarHBondContact O-N 2.95Å
298	R	80.7	Confident	86.7	Confident	61 Å²	61	40.2 Å²	40.2	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-52.4	179.2	-171.9	-173.6	69.4	81.1	0.7	110.7	H295 S296 L300 K301 Y302 E331	H295-R298 PolarHBondContact O-N 2.8Å; S296-R298 VanDerWaalsContact C-N 3.31Å; S296-R298 PolarHBondContact O-N 2.95Å; R298-L300 VanDerWaalsContact C-N 3.29Å; R298-L300 PolarHBondContact O-N 3.13Å; R298-K301 PolarHBondContact O-N 2.96Å; R298-K301 VanDerWaalsContact O-N 3.15Å; R298-Y302 HydrophobicContact CG-CD2 4.09Å; R298-Y302 PolarHBondContact O-N 3.27Å; R298-E331 IonicContact CZ-OE1 3.08Å; R298-E331 VanDerWaalsContact NH2-CD 3.28Å; R298-E331 IonicContact NH2-OE1 2.95Å; R298-E331 PolarHBondContact NH2-OE1 2.91Å; R298-E331 IonicContact NH2-OE2 3.37Å; R298-E331 PolarHBondContact NH2-OE2 3.04Å; R298-E331 VanDerWaalsContact NH2-OE2 3.16Å
299	L	84.8	Confident	86.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-39.5	178.3	-78.7	170.3	0	0	0	112	F289 I294 S296 G303 I306 I414	F289-L299 HydrophobicContact CD1-CD1 3.82Å; F289-L299 HydrophobicContact CE1-CD1 4.04Å; F289-L299 HydrophobicContact CG-CD1 4.37Å; I294-L299 HydrophobicContact CB-CD1 4.1Å; I294-L299 HydrophobicContact CD1-CD1 4.1Å; I294-L299 HydrophobicContact CG2-CD1 3.65Å; I294-L299 HydrophobicContact CG2-CG 3.91Å; S296-L299 PolarHBondContact O-N 2.75Å; L299-G303 WeakPolarHBondContact O-CA 3.39Å; L299-G303 PolarHBondContact O-N 2.76Å; L299-I306 HydrophobicContact CD1-CD1 4.19Å; L299-I414 HydrophobicContact CB-CD1 4.07Å
300	L	87.1	Confident	87	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-39.8	176.3	-74.2	176.8	0	0	0	112	T93 T94 P229 F231 I233 I234 S296 R298	T93-L300 WeakPolarHBondContact CB-O 3.1Å; T93-L300 HydrophobicContact CG2-CD2 3.97Å; T93-L300 PolarHBondContact OG1-O 2.61Å; T94-L300 WeakPolarHBondContact CG2-O 3.29Å; P229-L300 HydrophobicContact CB-CB 3.8Å; P229-L300 HydrophobicContact CG-CB 4.2Å; F231-L300 HydrophobicContact CD1-CD1 4.36Å; I233-L300 HydrophobicContact CB-CD2 4.07Å; I233-L300 HydrophobicContact CG2-CD2 4.03Å; I234-L300 HydrophobicContact CD1-CD1 3.81Å; I234-L300 HydrophobicContact CG1-CD1 3.79Å; S296-L300 WeakPolarHBondContact O-CB 3.42Å; S296-L300 VanDerWaalsContact O-CG 3.23Å; S296-L300 WeakPolarHBondContact O-CG 3.14Å; S296-L300 PolarHBondContact O-N 3.32Å; R298-L300 VanDerWaalsContact C-N 3.29Å; R298-L300 PolarHBondContact O-N 3.13Å
301	K	81.6	Confident	87.3	Confident	80 Å²	80	38.2 Å²	38.2	35%	0.348	20%	0.201	S	C	.	.	H	α-helix	trans	-77.7	-51.7	-176.6	-173.5	179.6	177.5	-161.6	0	113.4	T94 N297 R298 N412	T94-K301 WeakPolarHBondContact CG2-O 3.09Å; N297-K301 VanDerWaalsContact O-CB 3.31Å; N297-K301 WeakPolarHBondContact O-CB 3.49Å; N297-K301 PolarHBondContact O-N 2.95Å; R298-K301 PolarHBondContact O-N 2.96Å; R298-K301 VanDerWaalsContact O-N 3.15Å; K301-N412 PolarHBondContact O-ND2 2.7Å
302	Y	80.4	Confident	87.5	Confident	78 Å²	78	34 Å²	34	31%	0.306	18%	0.179	S	C	.	.	H	α-helix	trans	-96.6	-20	-173.3	-62.8	-76.8	0	0	0	113	R298 E384 G385 S386	R298-Y302 HydrophobicContact CG-CD2 4.09Å; R298-Y302 PolarHBondContact O-N 3.27Å; Y302-E384 HydrophobicContact CD1-CB 4.3Å; Y302-E384 HydrophobicContact CG-CB 4.4Å; Y302-G385 WeakPolarHBondContact O-CA 3.43Å; Y302-S386 PolarHBondContact O-N 2.89Å; Y302-S386 VanDerWaalsContact O-N 3.09Å
303	G	86	Confident	87.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.			trans	84.1	-171.5	-169.4	0	0	0	0	0	112	L299 G413	L299-G303 WeakPolarHBondContact O-CA 3.39Å; L299-G303 PolarHBondContact O-N 2.76Å; G303-G413 CarbonylContact C-O 3.54Å; G303-G413 WeakPolarHBondContact CA-O 3.27Å
304	G	87.1	Confident	88.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-174.5	174.6	0	0	0	0	0	113.3	E333 G413 I414 Q415	G304-E333 VanDerWaalsContact CA-OE2 3.27Å; G304-E333 WeakPolarHBondContact CA-OE2 3.42Å; G304-G413 PolarHBondContact N-O 2.99Å; G304-I414 CarbonylContact O-C 3.46Å; G304-I414 VanDerWaalsContact O-CA 3.28Å; G304-I414 WeakPolarHBondContact O-CA 3.46Å; G304-Q415 PolarHBondContact O-N 3.23Å
305	V	89.4	Confident	89.1	Confident	24 Å²	24	37.3 Å²	37.3	15%	0.145	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.6	178.4	-172.1	0	0	0	0	111.1	E331 L332 Q415 I417	V305-E331 WeakPolarHBondContact O-CA 3.33Å; V305-L332 HydrophobicContact CB-CB 4.31Å; V305-L332 HydrophobicContact CG1-CB 4.15Å; V305-L332 HydrophobicContact CG1-CD1 3.98Å; V305-L332 PolarHBondContact O-N 2.86Å; V305-Q415 CarbonylContact C-O 3.53Å; V305-Q415 WeakPolarHBondContact CA-O 3.42Å; V305-Q415 HydrophobicContact CG1-CB 4.39Å; V305-Q415 HydrophobicContact CG2-CB 4.26Å; V305-I417 HydrophobicContact CG1-CD1 3.72Å; V305-I417 HydrophobicContact CG1-CG1 4.14Å
306	I	91.7	Very high	89.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130	178	-62.1	179.6	0	0	0	110.1	I288 F289 I292 L299 L330 I414 Q415 F416 I417	I288-I306 HydrophobicContact CG2-CG2 4.28Å; F289-I306 HydrophobicContact CD1-CD1 3.91Å; F289-I306 HydrophobicContact CE1-CD1 3.6Å; I292-I306 HydrophobicContact CD1-CD1 4.09Å; I292-I306 HydrophobicContact CD1-CG1 4.3Å; I292-I306 HydrophobicContact CD1-CG2 3.74Å; L299-I306 HydrophobicContact CD1-CD1 4.19Å; I306-L330 CarbonylContact C-O 3.5Å; I306-I414 HydrophobicContact CB-CG2 4.33Å; I306-I414 HydrophobicContact CD1-CG2 3.77Å; I306-I414 HydrophobicContact CG1-CG2 3.87Å; I306-Q415 PolarHBondContact N-O 2.96Å; I306-F416 HydrophobicContact CB-CD1 4Å; I306-F416 HydrophobicContact CB-CE1 3.93Å; I306-F416 HydrophobicContact CD1-CE1 4.01Å; I306-F416 HydrophobicContact CD1-CZ 4.17Å; I306-F416 HydrophobicContact CG2-CD1 4.06Å; I306-F416 HydrophobicContact CG2-CE1 3.93Å; I306-F416 CarbonylContact O-C 3.57Å; I306-F416 VanDerWaalsContact O-CA 3.29Å; I306-F416 WeakPolarHBondContact O-CA 3.49Å; I306-I417 PolarHBondContact O-N 3.16Å
307	T	92.9	Very high	90.3	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.7	170.1	-63.3	0	0	0	0	111.7	T309 F329 L330 L332 I417 R419	T307-T309 WeakPolarHBondContact CG2-OG1 3.34Å; T307-F329 WeakPolarHBondContact O-CA 3.4Å; T307-L330 PolarHBondContact N-O 3.49Å; T307-L330 PolarHBondContact O-N 2.92Å; T307-L332 WeakPolarHBondContact OG1-CD1 3.45Å; T307-L332 WeakPolarHBondContact OG1-CG 3.45Å; T307-I417 CarbonylContact C-O 3.57Å; T307-I417 VanDerWaalsContact CA-O 3.23Å; T307-I417 WeakPolarHBondContact CA-O 3.27Å; T307-R419 HydrophobicContact CG2-CB 4.37Å; T307-R419 HydrophobicContact CG2-CG 4.04Å; T307-R419 PolarHBondContact OG1-NH1 2.85Å
308	I	95	Very high	90.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.6	166.5	-52.7	-178	0	0	0	107.6	I240 I288 F329 F416 I417 I418 R419	I240-I308 HydrophobicContact CD1-CD1 3.83Å; I240-I308 HydrophobicContact CD1-CG2 4.08Å; I288-I308 HydrophobicContact CD1-CD1 4.45Å; I308-F329 HydrophobicContact CB-CD1 4.44Å; I308-F329 HydrophobicContact CB-CE1 4.5Å; I308-F329 HydrophobicContact CD1-CE1 4.39Å; I308-F329 HydrophobicContact CG1-CD1 4Å; I308-F329 HydrophobicContact CG1-CE1 4.18Å; I308-F329 HydrophobicContact CG2-CD1 4.16Å; I308-F329 HydrophobicContact CG2-CE1 3.81Å; I308-F416 HydrophobicContact CD1-CD1 3.97Å; I308-F416 HydrophobicContact CG1-CD1 4.28Å; I308-I417 PolarHBondContact N-O 3.08Å; I308-I418 HydrophobicContact CB-CG1 4.34Å; I308-I418 CarbonylContact O-C 3.52Å; I308-I418 WeakPolarHBondContact O-CA 3.45Å; I308-R419 PolarHBondContact O-N 3.22Å
309	T	95.2	Very high	91.3	Very high	23 Å²	23	36.8 Å²	36.8	14%	0.141	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.5	178.1	-54.2	0	0	0	0	110.1	T307 Q311 Y327 K328 R419	T307-T309 WeakPolarHBondContact CG2-OG1 3.34Å; T309-Q311 HydrophobicContact CG2-CG 3.85Å; T309-Y327 CarbonylContact O-C 3.58Å; T309-Y327 WeakPolarHBondContact O-CA 3.05Å; T309-K328 PolarHBondContact N-O 2.83Å; T309-K328 PolarHBondContact O-N 2.8Å; T309-R419 CarbonylContact C-O 3.44Å; T309-R419 VanDerWaalsContact CA-O 3.3Å; T309-R419 WeakPolarHBondContact CA-O 3.31Å
310	I	96.3	Very high	91.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.3	172.3	-47.3	-179.4	0	0	0	107.5	I240 N242 P325 N326 Y327 I418 R419 V420 N421	I240-I310 HydrophobicContact CG2-CD1 4.01Å; N242-I310 HydrophobicContact CB-CD1 3.82Å; I310-P325 HydrophobicContact CG2-CB 3.94Å; I310-N326 CarbonylContact C-O 3.54Å; I310-N326 WeakPolarHBondContact CA-O 3.23Å; I310-Y327 HydrophobicContact CB-CD1 4.47Å; I310-Y327 HydrophobicContact CD1-CE1 4.07Å; I310-Y327 HydrophobicContact CG1-CD1 3.91Å; I310-Y327 HydrophobicContact CG1-CE1 3.94Å; I310-Y327 HydrophobicContact CG2-CD1 4.26Å; I310-Y327 HydrophobicContact CG2-CE1 3.97Å; I310-I418 HydrophobicContact CD1-CG2 4.11Å; I310-I418 HydrophobicContact CG1-CG2 4.38Å; I310-R419 PolarHBondContact N-O 3.37Å; I310-V420 HydrophobicContact CB-CG2 4.44Å; I310-V420 HydrophobicContact CD1-CG2 4.39Å; I310-V420 WeakPolarHBondContact O-CA 3.47Å; I310-N421 PolarHBondContact O-N 3.2Å
311	Q	96.3	Very high	91.8	Very high	40 Å²	40	48.4 Å²	48.4	19%	0.187	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.4	-179.7	-61.7	-169.1	-47.2	0	0	110.9	T309 N326 N421	T309-Q311 HydrophobicContact CG2-CG 3.85Å; Q311-N326 HydrophobicContact CB-CB 4.37Å; Q311-N326 PolarHBondContact N-O 2.83Å; Q311-N326 PolarHBondContact O-N 2.85Å; Q311-N421 CarbonylContact C-O 3.6Å; Q311-N421 WeakPolarHBondContact CA-O 3.26Å
312	W	96	Very high	92.3	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	95	176.7	-69.6	97	0	0	0	110.2	N242 I244 L253 N255 P325 N421 G422 I423	N242-W312 PolarHBondContact OD1-NE1 2.93Å; I244-W312 HydrophobicContact CD1-CB 3.91Å; I244-W312 HydrophobicContact CD1-CD2 3.39Å; I244-W312 HydrophobicContact CD1-CE3 3.79Å; I244-W312 HydrophobicContact CD1-CG 3.48Å; I244-W312 VanDerWaalsContact CD1-CG 3.48Å; I244-W312 HydrophobicContact CD1-CZ2 4.34Å; I244-W312 HydrophobicContact CD1-CZ3 4.4Å; I244-W312 HydrophobicContact CG1-CD2 4.26Å; I244-W312 HydrophobicContact CG1-CZ2 4.36Å; L253-W312 HydrophobicContact CB-CH2 4.46Å; L253-W312 HydrophobicContact CB-CZ3 4.42Å; L253-W312 HydrophobicContact CD1-CZ3 4.46Å; N255-W312 HydrophobicContact CB-CZ2 4.12Å; W312-P325 HydrophobicContact CD2-CB 4.23Å; W312-P325 HydrophobicContact CE3-CB 4.4Å; W312-P325 HydrophobicContact CH2-CB 3.88Å; W312-P325 HydrophobicContact CH2-CG 3.93Å; W312-P325 HydrophobicContact CZ2-CB 3.67Å; W312-P325 HydrophobicContact CZ2-CG 4.11Å; W312-P325 HydrophobicContact CZ3-CB 4.24Å; W312-P325 HydrophobicContact CZ3-CG 4.4Å; W312-N421 PolarHBondContact N-O 2.8Å; W312-G422 CarbonylContact O-C 3.58Å; W312-G422 WeakPolarHBondContact O-CA 3.38Å; W312-I423 PolarHBondContact O-N 3.46Å
313	E	94.6	Very high	93	Very high	153 Å²	153	49.9 Å²	49.9	72%	0.715	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	106.5	175	-69.9	-178.5	-169.4	0	0	109.4
314	C	95.5	Very high	93.4	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.2	-166.9	-62	0	0	0	0	111.6	L316 C323 I423 A424 G425	C314-L316 HydrophobicContact CB-CD2 4.5Å; C314-C323 HydrophobicContact CB-CB 3.67Å; C314-C323 WeakPolarHBondContact CB-SG 3.37Å; C314-C323 VanDerWaalsContact SG-CA 3.59Å; C314-C323 WeakPolarHBondContact SG-CB 3.33Å; C314-C323 CovalentContact SG-SG 1.99Å; C314-C323 PolarHBondContact SG-SG 2.87Å; C314-I423 PolarHBondContact N-O 3.45Å; C314-A424 HydrophobicContact CB-CB 4.45Å; C314-A424 CarbonylContact O-C 3.55Å; C314-A424 VanDerWaalsContact O-CA 3.29Å; C314-A424 WeakPolarHBondContact O-CA 3.34Å; C314-G425 PolarHBondContact O-N 3.39Å
315	N	95.3	Very high	93.8	Very high	33 Å²	33	52.3 Å²	52.3	18%	0.176	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	103.2	168.2	-175	-5.3	0	0	0	108.9	Q39 D317 Y318	Q39-N315 PolarHBondContact NE2-ND2 3.39Å; Q39-N315 PolarHBondContact NE2-OD1 3.05Å; N315-D317 PolarHBondContact O-N 3.13Å; N315-D317 WeakPolarHBondContact OD1-CB 3.5Å; N315-D317 PolarHBondContact OD1-N 3.14Å; N315-D317 VanDerWaalsContact OD1-N 3.11Å; N315-Y318 HydrophobicContact CB-CD2 3.98Å; N315-Y318 HydrophobicContact CB-CE2 4.46Å; N315-Y318 WeakPolarHBondContact ND2-CE2 3.48Å; N315-Y318 PolarHBondContact O-N 3.22Å
316	L	94.3	Very high	94.1	Very high	16 Å²	16	55 Å²	55	8%	0.084	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	1.9	-176.8	-59.7	177	0	0	0	113.6	F249 I251 C314 Y318 A424 G425 K426	F249-L316 HydrophobicContact CB-CD1 3.98Å; F249-L316 HydrophobicContact CD1-CD1 4.45Å; F249-L316 HydrophobicContact CD2-CD1 3.3Å; F249-L316 HydrophobicContact CE2-CD1 3.85Å; F249-L316 HydrophobicContact CG-CD1 3.65Å; I251-L316 HydrophobicContact CD1-CD1 3.71Å; I251-L316 HydrophobicContact CD1-CD2 3.72Å; I251-L316 HydrophobicContact CD1-CG 4.24Å; C314-L316 HydrophobicContact CB-CD2 4.5Å; L316-Y318 CarbonylContact C-O 3.57Å; L316-A424 HydrophobicContact CD1-CB 3.76Å; L316-A424 HydrophobicContact CG-CB 4.14Å; L316-G425 WeakPolarHBondContact CB-O 3.45Å; L316-G425 PolarHBondContact N-O 3.23Å; L316-K426 HydrophobicContact CB-CB 4Å; L316-K426 HydrophobicContact CB-CD 4.41Å; L316-K426 HydrophobicContact CB-CG 4.16Å; L316-K426 HydrophobicContact CD1-CB 4.41Å
317	D	93.3	Very high	94.3	Very high	66 Å²	66	55.4 Å²	55.4	35%	0.353	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.3	165.6	-63.3	-18.5	0	0	0	111.1	Y38 Q39 N315 F427	Y38-D317 WeakPolarHBondContact CE2-OD2 3.39Å; Q39-D317 PolarHBondContact NE2-OD2 3.18Å; N315-D317 PolarHBondContact O-N 3.13Å; N315-D317 WeakPolarHBondContact OD1-CB 3.5Å; N315-D317 PolarHBondContact OD1-N 3.14Å; N315-D317 VanDerWaalsContact OD1-N 3.11Å; D317-F427 WeakPolarHBondContact OD1-CB 3.39Å; D317-F427 PolarHBondContact OD1-N 3.08Å
318	Y	92.5	Very high	94.3	Very high	157 Å²	157	60.3 Å²	60.3	62%	0.616	28%	0.281	S	S	*	.	S	Bend	trans	-88.9	169.3	170.6	-60.6	-66.9	0	0	0	111.1	N315 L316 I320	N315-Y318 HydrophobicContact CB-CD2 3.98Å; N315-Y318 HydrophobicContact CB-CE2 4.46Å; N315-Y318 WeakPolarHBondContact ND2-CE2 3.48Å; N315-Y318 PolarHBondContact O-N 3.22Å; L316-Y318 CarbonylContact C-O 3.57Å; Y318-I320 PolarHBondContact O-N 3.03Å
319	N	93	Very high	94.3	Very high	94 Å²	94	61.6 Å²	61.6	50%	0.503	29%	0.287	S	S	.	.			trans	-59.5	136.1	176.7	-165.6	-48.6	0	0	0	110.9	K321 Y322	N319-K321 PolarHBondContact O-N 3.22Å; N319-K321 WeakPolarHBondContact OD1-CG 3.1Å; N319-K321 PolarHBondContact OD1-N 3.25Å; N319-Y322 HydrophobicContact CB-CD2 4.03Å; N319-Y322 HydrophobicContact CB-CE2 4.07Å; N319-Y322 WeakPolarHBondContact O-CD2 3.48Å; N319-Y322 PolarHBondContact O-N 2.91Å
320	I	91.7	Very high	94.2	Very high	78 Å²	78	65.1 Å²	65.1	40%	0.4	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-49.5	-29.2	179.5	-59.8	169.2	0	0	0	112.6	I251 L253 Y318 Y322 C323	I251-I320 HydrophobicContact CD1-CD1 4.37Å; I251-I320 HydrophobicContact CG2-CG2 4.35Å; L253-I320 HydrophobicContact CD2-CG2 3.46Å; L253-I320 VanDerWaalsContact CD2-CG2 3.46Å; Y318-I320 PolarHBondContact O-N 3.03Å; I320-Y322 PolarHBondContact O-N 3.07Å; I320-Y322 VanDerWaalsContact O-N 3.11Å; I320-C323 WeakPolarHBondContact O-CB 3.41Å; I320-C323 PolarHBondContact O-N 2.92Å
321	K	90.2	Very high	93.8	Very high	166 Å²	166	67.1 Å²	67.1	72%	0.722	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57.2	-23.3	176.8	-68	179.3	-178.8	-179.5	0	114.6	N319 L324	N319-K321 PolarHBondContact O-N 3.22Å; N319-K321 WeakPolarHBondContact OD1-CG 3.1Å; N319-K321 PolarHBondContact OD1-N 3.25Å; K321-L324 WeakPolarHBondContact O-CD2 3.48Å
322	Y	91.8	Very high	93.2	Very high	179 Å²	179	68.4 Å²	68.4	70%	0.702	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-87.5	-9.5	179.5	-62.5	-66.9	0	0	0	113.7	N319 I320 L324	N319-Y322 HydrophobicContact CB-CD2 4.03Å; N319-Y322 HydrophobicContact CB-CE2 4.07Å; N319-Y322 WeakPolarHBondContact O-CD2 3.48Å; N319-Y322 PolarHBondContact O-N 2.91Å; I320-Y322 PolarHBondContact O-N 3.07Å; I320-Y322 VanDerWaalsContact O-N 3.11Å; Y322-L324 PolarHBondContact O-N 2.92Å; Y322-L324 VanDerWaalsContact O-N 3.16Å
323	C	94.5	Very high	92.1	Very high	10 Å²	10	70.2 Å²	70.2	7%	0.068	33%	0.33	C	S	.	.			trans	-78.9	96.5	172.1	175.4	0	0	0	0	108.4	L253 C314 I320	L253-C323 HydrophobicContact CD1-CB 4.01Å; L253-C323 WeakPolarHBondContact CD1-SG 3.47Å; C314-C323 HydrophobicContact CB-CB 3.67Å; C314-C323 WeakPolarHBondContact CB-SG 3.37Å; C314-C323 VanDerWaalsContact SG-CA 3.59Å; C314-C323 WeakPolarHBondContact SG-CB 3.33Å; C314-C323 CovalentContact SG-SG 1.99Å; C314-C323 PolarHBondContact SG-SG 2.87Å; I320-C323 WeakPolarHBondContact O-CB 3.41Å; I320-C323 PolarHBondContact O-N 2.92Å
324	L	94.6	Very high	90.5	Very high	46 Å²	46	66.3 Å²	66.3	24%	0.241	32%	0.319	C	S	.	.			trans	-121.4	147.5	-172.8	-61.5	176.6	0	0	0	110.4	L257 Y279 K321 Y322	L257-L324 HydrophobicContact CD1-CD2 3.66Å; L257-L324 HydrophobicContact CD2-CD2 3.6Å; L257-L324 HydrophobicContact CG-CD2 4.31Å; Y279-L324 HydrophobicContact CD1-CB 4.38Å; Y279-L324 HydrophobicContact CE1-CB 3.85Å; Y279-L324 HydrophobicContact CE1-CD1 3.87Å; Y279-L324 HydrophobicContact CE1-CG 4.43Å; Y279-L324 HydrophobicContact CE2-CD1 4.15Å; Y279-L324 WeakPolarHBondContact OH-CD1 3.12Å; K321-L324 WeakPolarHBondContact O-CD2 3.48Å; Y322-L324 PolarHBondContact O-N 2.92Å; Y322-L324 VanDerWaalsContact O-N 3.16Å
325	P	95.7	Very high	88.8	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.026	33%	0.328	C	S	.	.			trans	-74.8	146	179.8	30.3	-33.5	0	0	0	111.4	N255 I310 W312 Y327	N255-P325 HydrophobicContact CB-CB 4.4Å; N255-P325 HydrophobicContact CB-CG 3.94Å; I310-P325 HydrophobicContact CG2-CB 3.94Å; W312-P325 HydrophobicContact CD2-CB 4.23Å; W312-P325 HydrophobicContact CE3-CB 4.4Å; W312-P325 HydrophobicContact CH2-CB 3.88Å; W312-P325 HydrophobicContact CH2-CG 3.93Å; W312-P325 HydrophobicContact CZ2-CB 3.67Å; W312-P325 HydrophobicContact CZ2-CG 4.11Å; W312-P325 HydrophobicContact CZ3-CB 4.24Å; W312-P325 HydrophobicContact CZ3-CG 4.4Å; P325-Y327 HydrophobicContact CG-CE2 4.41Å
326	N	95.2	Very high	86.7	Confident	82 Å²	82	72.9 Å²	72.9	44%	0.439	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.3	167.9	-173.7	22.6	0	0	0	110.4	I310 Q311	I310-N326 CarbonylContact C-O 3.54Å; I310-N326 WeakPolarHBondContact CA-O 3.23Å; Q311-N326 HydrophobicContact CB-CB 4.37Å; Q311-N326 PolarHBondContact N-O 2.83Å; Q311-N326 PolarHBondContact O-N 2.85Å
327	Y	96	Very high	84.7	Confident	8 Å²	8	77 Å²	77	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.2	-175.4	-57.1	-78.3	0	0	0	110.7	N255 Y270 F283 T309 I310 P325	N255-Y327 WeakPolarHBondContact CB-OH 3.42Å; N255-Y327 PolarHBondContact ND2-OH 2.92Å; N255-Y327 VanDerWaalsContact ND2-OH 3.14Å; Y270-Y327 HydrophobicContact CD2-CD2 4.15Å; Y270-Y327 AromaticContact CE2-CD2 3.65Å; Y270-Y327 HydrophobicContact CE2-CD2 3.65Å; Y270-Y327 HydrophobicContact CE2-CE2 4.44Å; Y270-Y327 HydrophobicContact CE2-CG 4.32Å; F283-Y327 HydrophobicContact CE1-CD1 4.34Å; F283-Y327 HydrophobicContact CE1-CD2 4.21Å; F283-Y327 HydrophobicContact CE1-CG 4.06Å; F283-Y327 HydrophobicContact CE2-CE1 4.45Å; F283-Y327 AromaticContact CZ-CD1 3.73Å; F283-Y327 HydrophobicContact CZ-CD1 3.73Å; F283-Y327 HydrophobicContact CZ-CD2 4.01Å; F283-Y327 AromaticContact CZ-CE1 3.76Å; F283-Y327 HydrophobicContact CZ-CE1 3.76Å; F283-Y327 HydrophobicContact CZ-CE2 4.02Å; F283-Y327 AromaticContact CZ-CG 3.85Å; F283-Y327 HydrophobicContact CZ-CG 3.85Å; F283-Y327 AromaticContact CZ-CZ 3.89Å; T309-Y327 CarbonylContact O-C 3.58Å; T309-Y327 WeakPolarHBondContact O-CA 3.05Å; I310-Y327 HydrophobicContact CB-CD1 4.47Å; I310-Y327 HydrophobicContact CD1-CE1 4.07Å; I310-Y327 HydrophobicContact CG1-CD1 3.91Å; I310-Y327 HydrophobicContact CG1-CE1 3.94Å; I310-Y327 HydrophobicContact CG2-CD1 4.26Å; I310-Y327 HydrophobicContact CG2-CE1 3.97Å; P325-Y327 HydrophobicContact CG-CE2 4.41Å
328	K	94.5	Very high	82.5	Confident	104 Å²	104	74.7 Å²	74.7	45%	0.452	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.5	173.7	-67.1	-179.5	172.5	165.9	0	110	T309	T309-K328 PolarHBondContact N-O 2.83Å; T309-K328 PolarHBondContact O-N 2.8Å
329	F	94.5	Very high	80.3	Confident	27 Å²	27	71.3 Å²	71.3	12%	0.118	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	-178.7	-51.7	-81.2	0	0	0	109	Y270 F283 I288 L291 I292 T307 I308	Y270-F329 HydrophobicContact CD1-CE2 4.47Å; Y270-F329 HydrophobicContact CD1-CZ 4.49Å; Y270-F329 AromaticContact CE1-CE2 3.78Å; Y270-F329 HydrophobicContact CE1-CE2 3.78Å; Y270-F329 HydrophobicContact CE1-CZ 4.17Å; F283-F329 HydrophobicContact CD1-CE1 4.16Å; F283-F329 AromaticContact CD1-CZ 3.63Å; F283-F329 HydrophobicContact CD1-CZ 3.63Å; F283-F329 HydrophobicContact CE1-CE1 4.37Å; F283-F329 AromaticContact CE1-CZ 3.67Å; F283-F329 HydrophobicContact CE1-CZ 3.67Å; I288-F329 HydrophobicContact CB-CD1 4.48Å; I288-F329 HydrophobicContact CD1-CD1 4.47Å; I288-F329 HydrophobicContact CD1-CE1 4.17Å; I288-F329 HydrophobicContact CG1-CD1 4Å; I288-F329 HydrophobicContact CG1-CE1 3.83Å; I288-F329 HydrophobicContact CG1-CZ 4.33Å; I288-F329 HydrophobicContact CG2-CB 4.32Å; I288-F329 HydrophobicContact CG2-CD1 3.88Å; I288-F329 HydrophobicContact CG2-CG 4.21Å; L291-F329 HydrophobicContact CB-CD2 4.24Å; L291-F329 HydrophobicContact CD1-CD2 3.74Å; L291-F329 HydrophobicContact CD1-CE2 3.67Å; I292-F329 HydrophobicContact CD1-CB 4.06Å; I292-F329 HydrophobicContact CG1-CB 3.67Å; T307-F329 WeakPolarHBondContact O-CA 3.4Å; I308-F329 HydrophobicContact CB-CD1 4.44Å; I308-F329 HydrophobicContact CB-CE1 4.5Å; I308-F329 HydrophobicContact CD1-CE1 4.39Å; I308-F329 HydrophobicContact CG1-CD1 4Å; I308-F329 HydrophobicContact CG1-CE1 4.18Å; I308-F329 HydrophobicContact CG2-CD1 4.16Å; I308-F329 HydrophobicContact CG2-CE1 3.81Å
330	L	92.5	Very high	78	Confident	96 Å²	96	70.4 Å²	70.4	50%	0.503	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	136.9	-178.9	-172.4	118.7	0	0	0	109.7	I306 T307 L332	I306-L330 CarbonylContact C-O 3.5Å; T307-L330 PolarHBondContact N-O 3.49Å; T307-L330 PolarHBondContact O-N 2.92Å; L330-L332 HydrophobicContact CD2-CD2 3.57Å; L330-L332 HydrophobicContact CD2-CG 4.32Å
331	E	88.3	Confident	76	Confident	42 Å²	42	69.4 Å²	69.4	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.5	164.7	172.5	171.5	-136.8	0	0	109	I292 I294 R298 V305	I292-E331 HydrophobicContact CG2-CB 4.02Å; I294-E331 HydrophobicContact CD1-CB 3.54Å; I294-E331 VanDerWaalsContact CD1-CD 3.5Å; I294-E331 HydrophobicContact CD1-CG 4.09Å; I294-E331 WeakPolarHBondContact CD1-OE2 3.4Å; I294-E331 WeakPolarHBondContact CG1-OE2 3.26Å; R298-E331 IonicContact CZ-OE1 3.08Å; R298-E331 VanDerWaalsContact NH2-CD 3.28Å; R298-E331 IonicContact NH2-OE1 2.95Å; R298-E331 PolarHBondContact NH2-OE1 2.91Å; R298-E331 IonicContact NH2-OE2 3.37Å; R298-E331 PolarHBondContact NH2-OE2 3.04Å; R298-E331 VanDerWaalsContact NH2-OE2 3.16Å; V305-E331 WeakPolarHBondContact O-CA 3.33Å
332	L	83.6	Confident	74	Confident	67 Å²	67	70.4 Å²	70.4	35%	0.351	33%	0.333	S	S	.	.			trans	-92.2	-24.6	179.9	-73.1	178.8	0	0	0	113.4	V305 T307 L330 S334 I417	V305-L332 HydrophobicContact CB-CB 4.31Å; V305-L332 HydrophobicContact CG1-CB 4.15Å; V305-L332 HydrophobicContact CG1-CD1 3.98Å; V305-L332 PolarHBondContact O-N 2.86Å; T307-L332 WeakPolarHBondContact OG1-CD1 3.45Å; T307-L332 WeakPolarHBondContact OG1-CG 3.45Å; L330-L332 HydrophobicContact CD2-CD2 3.57Å; L330-L332 HydrophobicContact CD2-CG 4.32Å; L332-S334 PolarHBondContact O-N 3.34Å; L332-I417 HydrophobicContact CD1-CD1 4.01Å
333	E	71.6	Confident	71.8	Confident	39 Å²	39	63.7 Å²	63.7	18%	0.182	31%	0.31	C	S	.	.			trans	-78.6	107.6	-175	-165.3	178.5	158.8	0	0	109.6	G304 V335 G385	G304-E333 VanDerWaalsContact CA-OE2 3.27Å; G304-E333 WeakPolarHBondContact CA-OE2 3.42Å; E333-V335 PolarHBondContact O-N 2.91Å; E333-G385 VanDerWaalsContact OE1-CA 3.25Å; E333-G385 WeakPolarHBondContact OE1-CA 3.46Å; E333-G385 PolarHBondContact OE1-N 3.09Å; E333-G385 WeakPolarHBondContact OE2-CA 3.49Å
334	S	61.1	Low	69.4	Low	71 Å²	71	70.4 Å²	70.4	50%	0.497	35%	0.346	S	S	.	.			trans	-75.8	112.2	162.8	59	0	0	0	0	107.6	L332 H336	L332-S334 PolarHBondContact O-N 3.34Å; S334-H336 PolarHBondContact O-N 2.87Å
335	V	60.5	Low	66.9	Low	37 Å²	37	74.9 Å²	74.9	22%	0.224	37%	0.37	C	S	.	.			trans	-57.8	111.3	169.3	179	0	0	0	0	107.1	E333 K337 T381 E384	E333-V335 PolarHBondContact O-N 2.91Å; V335-K337 HydrophobicContact CG1-CG 4.15Å; V335-K337 PolarHBondContact O-N 2.83Å; V335-T381 HydrophobicContact CG1-CG2 3.52Å; V335-E384 HydrophobicContact CG1-CG 4.38Å
336	H	51.3	Low	64.5	Low	142 Å²	142	78 Å²	78	66%	0.657	39%	0.385	S	S	*	.			trans	-68.6	89.2	171.7	-73.3	-62.8	0	0	0	107.9	S334 V338	S334-H336 PolarHBondContact O-N 2.87Å; H336-V338 PolarHBondContact O-N 2.88Å
337	K	52.5	Low	61.6	Low	101 Å²	101	78 Å²	78	44%	0.439	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120	169.5	-68.7	-176	178.2	-177.4	0	106.9	V335 Y365 V379	V335-K337 HydrophobicContact CG1-CG 4.15Å; V335-K337 PolarHBondContact O-N 2.83Å; K337-Y365 WeakPolarHBondContact O-CB 3.02Å; K337-V379 HydrophobicContact CB-CG1 3.51Å; K337-V379 HydrophobicContact CD-CG1 4.01Å; K337-V379 HydrophobicContact CG-CG1 3.64Å
338	V	47.8	Very low	59	Low	18 Å²	18	82.4 Å²	82.4	11%	0.109	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.8	174.8	-177.9	0	0	0	0	107.6	H336 Y362 I380 I382	H336-V338 PolarHBondContact O-N 2.88Å; V338-Y362 HydrophobicContact CG1-CD1 4.03Å; V338-Y362 HydrophobicContact CG1-CG 4.11Å; V338-I380 WeakPolarHBondContact CB-O 3.4Å; V338-I380 PolarHBondContact N-O 2.99Å; V338-I380 PolarHBondContact O-N 3.32Å; V338-I382 HydrophobicContact CG2-CD1 3.76Å; V338-I382 HydrophobicContact CG2-CG1 4Å
339	R	44.5	Very low	56.1	Low	87 Å²	87	82.2 Å²	82.2	33%	0.328	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.1	178.1	-135.9	178	-179.1	164.9	0.2	108.3	I341 Y365 E377	R339-I341 PolarHBondContact O-N 2.91Å; R339-Y365 HydrophobicContact CB-CD2 4.16Å; R339-Y365 HydrophobicContact CG-CD2 4.11Å; R339-Y365 HydrophobicContact CG-CE2 4.33Å; R339-E377 IonicContact CZ-OE2 3.95Å; R339-E377 IonicContact NE-OE2 2.71Å; R339-E377 PolarHBondContact NE-OE2 3.48Å; R339-E377 VanDerWaalsContact NE-OE2 3.08Å; R339-E377 IonicContact NH2-OE1 3.39Å; R339-E377 IonicContact NH2-OE2 3.46Å; R339-E377 PolarHBondContact NH2-OE2 3.35Å
340	K	45.5	Very low	53.2	Low	74 Å²	74	87.8 Å²	87.8	32%	0.322	44%	0.438	S	S	.	.			trans	-73	107	169.6	-173.8	175.7	-177	170.6	0	108.1	K342 Y362 E378	K340-K342 PolarHBondContact O-N 2.82Å; K340-Y362 HydrophobicContact CG-CE1 4.38Å; K340-E378 IonicContact NZ-OE2 3.57Å; K340-E378 PolarHBondContact NZ-OE2 3.31Å
341	I	50	Low	50.8	Low	57 Å²	57	91.3 Å²	91.3	29%	0.292	46%	0.455	S	S	.	.			trans	-66.3	126	170.4	-59.9	166.8	0	0	0	107.3	R339 T343 E363	R339-I341 PolarHBondContact O-N 2.91Å; I341-T343 HydrophobicContact CB-CG2 4.33Å; I341-T343 HydrophobicContact CG2-CG2 3.9Å; I341-T343 PolarHBondContact O-N 3.33Å; I341-E363 HydrophobicContact CD1-CB 3.39Å; I341-E363 HydrophobicContact CG1-CB 4.07Å
342	K	47.5	Very low	48.6	Very low	188 Å²	188	93.1 Å²	93.1	82%	0.817	47%	0.473	S	S	*	.			trans	-64	79.2	163.3	-77.1	177.6	180	166.4	0	108.2	K340 N344	K340-K342 PolarHBondContact O-N 2.82Å; K342-N344 PolarHBondContact O-N 2.75Å
343	T	45.5	Very low	46.7	Very low	37 Å²	37	96.8 Å²	96.8	23%	0.227	49%	0.493	C	S	.	.			trans	-77.4	108.8	171.5	35.9	0	0	0	0	107.6	I341 N345 I346	I341-T343 HydrophobicContact CB-CG2 4.33Å; I341-T343 HydrophobicContact CG2-CG2 3.9Å; I341-T343 PolarHBondContact O-N 3.33Å; T343-N345 PolarHBondContact O-N 3.03Å; T343-I346 HydrophobicContact CG2-CD1 4.01Å; T343-I346 HydrophobicContact CG2-CG1 4.48Å
344	N	44.8	Very low	45.5	Very low	151 Å²	151	103 Å²	103	81%	0.807	53%	0.528	S	S	*	.			trans	-58.5	109.1	161.6	-76.9	-18.1	0	0	0	107.1	K342 I346	K342-N344 PolarHBondContact O-N 2.75Å; N344-I346 PolarHBondContact O-N 3.47Å
345	N	42	Very low	44.6	Very low	140 Å²	140	104 Å²	104	75%	0.749	53%	0.527	S	S	*	.			trans	9.9	76.4	169.6	-68.3	-14.4	0	0	0	114.8	T343 T347	T343-N345 PolarHBondContact O-N 3.03Å; N345-T347 VanDerWaalsContact C-N 3.33Å; N345-T347 PolarHBondContact O-N 3.47Å
346	I	45.5	Very low	43.4	Very low	69 Å²	69	107.6 Å²	107.6	35%	0.354	55%	0.545	S	S	.	.			trans	-80	94.3	168.7	-42.4	179	0	0	0	106.3	T343 N344 Y348	T343-I346 HydrophobicContact CG2-CD1 4.01Å; T343-I346 HydrophobicContact CG2-CG1 4.48Å; N344-I346 PolarHBondContact O-N 3.47Å; I346-Y348 HydrophobicContact CB-CD2 4.39Å; I346-Y348 HydrophobicContact CB-CE2 3.67Å; I346-Y348 HydrophobicContact CG2-CD2 3.92Å; I346-Y348 HydrophobicContact CG2-CE1 4.42Å; I346-Y348 HydrophobicContact CG2-CE2 3.09Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.42Å; I346-Y348 WeakPolarHBondContact O-CD2 3.47Å
347	T	34.3	Very low	43	Very low	83 Å²	83	104.8 Å²	104.8	51%	0.509	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.8	174.8	49.4	0	0	0	0	109.1	N345 T358	N345-T347 VanDerWaalsContact C-N 3.33Å; N345-T347 PolarHBondContact O-N 3.47Å; T347-T358 HydrophobicContact CG2-CG2 4.15Å
348	Y	40.8	Very low	42.3	Very low	101 Å²	101	104.4 Å²	104.4	40%	0.396	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.1	169.5	-68.3	-96.3	0	0	0	108.5	I346 K350 Y359	I346-Y348 HydrophobicContact CB-CD2 4.39Å; I346-Y348 HydrophobicContact CB-CE2 3.67Å; I346-Y348 HydrophobicContact CG2-CD2 3.92Å; I346-Y348 HydrophobicContact CG2-CE1 4.42Å; I346-Y348 HydrophobicContact CG2-CE2 3.09Å; I346-Y348 VanDerWaalsContact CG2-CZ 3.42Å; I346-Y348 WeakPolarHBondContact O-CD2 3.47Å; Y348-K350 PolarHBondContact O-N 2.5Å; Y348-Y359 AromaticContact CD1-CE1 3.73Å; Y348-Y359 HydrophobicContact CD1-CE1 3.73Å; Y348-Y359 AromaticContact CD1-CZ 3.77Å; Y348-Y359 VanDerWaalsContact CD1-OH 3.31Å; Y348-Y359 WeakPolarHBondContact CD1-OH 3.48Å; Y348-Y359 AromaticContact CD2-CD1 3.43Å; Y348-Y359 HydrophobicContact CD2-CD1 3.43Å; Y348-Y359 VanDerWaalsContact CD2-CD1 3.43Å; Y348-Y359 HydrophobicContact CD2-CD2 4.21Å; Y348-Y359 AromaticContact CD2-CE1 2.88Å; Y348-Y359 HydrophobicContact CD2-CE1 2.88Å; Y348-Y359 AromaticContact CD2-CE2 3.74Å; Y348-Y359 HydrophobicContact CD2-CE2 3.74Å; Y348-Y359 HydrophobicContact CD2-CG 4.11Å; Y348-Y359 AromaticContact CD2-CZ 3.11Å; Y348-Y359 HydrophobicContact CE1-CE1 4.05Å; Y348-Y359 HydrophobicContact CE1-CE2 4.45Å; Y348-Y359 AromaticContact CE1-CZ 3.57Å; Y348-Y359 WeakPolarHBondContact CE1-OH 3.49Å; Y348-Y359 AromaticContact CE2-CD1 3.92Å; Y348-Y359 HydrophobicContact CE2-CD1 3.92Å; Y348-Y359 AromaticContact CE2-CD2 3.86Å; Y348-Y359 HydrophobicContact CE2-CD2 3.86Å; Y348-Y359 AromaticContact CE2-CE1 3.25Å; Y348-Y359 HydrophobicContact CE2-CE1 3.25Å; Y348-Y359 AromaticContact CE2-CE2 3.14Å; Y348-Y359 HydrophobicContact CE2-CE2 3.14Å; Y348-Y359 HydrophobicContact CE2-CG 4.24Å; Y348-Y359 AromaticContact CE2-CZ 2.83Å; Y348-Y359 WeakPolarHBondContact CE2-OH 3.13Å; Y348-Y359 AromaticContact CG-CD1 3.96Å; Y348-Y359 HydrophobicContact CG-CD1 3.96Å; Y348-Y359 AromaticContact CG-CE1 3.13Å; Y348-Y359 HydrophobicContact CG-CE1 3.13Å; Y348-Y359 AromaticContact CG-CZ 3.54Å; Y348-Y359 AromaticContact CZ-CE1 3.82Å; Y348-Y359 AromaticContact CZ-CE2 3.55Å; Y348-Y359 AromaticContact CZ-CZ 3.09Å; Y348-Y359 PolarHBondContact OH-OH 2.96Å; Y348-Y359 VanDerWaalsContact OH-OH 3.07Å
349	T	33.9	Very low	42	Very low	100 Å²	100	108.9 Å²	108.9	61%	0.613	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.6	111.8	170.2	48	0	0	0	0	108.2	I351	T349-I351 PolarHBondContact O-N 2.86Å
350	K	33.7	Very low	41.8	Very low	143 Å²	143	109.2 Å²	109.2	62%	0.622	56%	0.555	S	S	*	*			trans	-67	125.2	168.7	-152.6	177.7	-172.4	178.4	0	107.6	Y348 S352	Y348-K350 PolarHBondContact O-N 2.5Å; K350-S352 PolarHBondContact O-N 2.89Å
351	I	41.3	Very low	41.9	Very low	170 Å²	170	108.9 Å²	108.9	87%	0.872	56%	0.559	S	S	*	*	S	Bend	trans	-75.2	70.6	171.5	-54.7	171.9	0	0	0	107.3	T349	T349-I351 PolarHBondContact O-N 2.86Å
352	S	43.7	Very low	41.7	Very low	81 Å²	81	110.1 Å²	110.1	57%	0.566	56%	0.561	S	S	*	*	S	Bend	trans	164	109.5	163	40.6	0	0	0	0	107.6	K350	K350-S352 PolarHBondContact O-N 2.89Å
353	N	43.8	Very low	41.6	Very low	144 Å²	144	107.4 Å²	107.4	77%	0.77	55%	0.551	S	S	*	*	S	Bend	trans	70.3	120.8	-177.4	-58.3	-12.6	0	0	0	114.6	N355	N353-N355 PolarHBondContact O-N 3.34Å
354	N	44.9	Very low	41.6	Very low	170 Å²	170	109.9 Å²	109.9	91%	0.909	57%	0.569	S	S	*	*	S	Bend	trans	-44.5	28.2	-178.6	-92.9	-2.1	0	0	0	119.4
355	N	42.1	Very low	41.7	Very low	92 Å²	92	105.5 Å²	105.5	49%	0.492	54%	0.542	S	S	.	.			trans	-100.6	107.1	175.8	-66.6	6.6	0	0	0	109.4	N353 Y357	N353-N355 PolarHBondContact O-N 3.34Å; N355-Y357 HydrophobicContact CB-CD2 4.39Å; N355-Y357 HydrophobicContact CB-CE2 3.63Å; N355-Y357 PolarHBondContact ND2-OH 2.94Å; N355-Y357 WeakPolarHBondContact O-CD2 3.29Å; N355-Y357 PolarHBondContact O-N 2.04Å
356	N	36.1	Very low	42.1	Very low	111 Å²	111	104.3 Å²	104.3	59%	0.594	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	114.3	170.4	-71.4	-14.7	0	0	0	108.7
357	Y	42.5	Very low	42.5	Very low	84 Å²	84	107.6 Å²	107.6	33%	0.329	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	126.1	169.5	-60.7	-81.3	0	0	0	108.7	G138 N355	G138-Y357 PolarHBondContact O-OH 2.82Å; N355-Y357 HydrophobicContact CB-CD2 4.39Å; N355-Y357 HydrophobicContact CB-CE2 3.63Å; N355-Y357 PolarHBondContact ND2-OH 2.94Å; N355-Y357 WeakPolarHBondContact O-CD2 3.29Å; N355-Y357 PolarHBondContact O-N 2.04Å
358	T	37.4	Very low	43.5	Very low	92 Å²	92	110.7 Å²	110.7	56%	0.564	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.7	117.3	168.8	50.8	0	0	0	0	108.2	T347	T347-T358 HydrophobicContact CG2-CG2 4.15Å
359	Y	42.1	Very low	43.9	Very low	112 Å²	112	111.3 Å²	111.3	44%	0.439	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-99.9	142.1	166.9	55.9	-103.8	0	0	0	110	Y348 V361	Y348-Y359 AromaticContact CD1-CE1 3.73Å; Y348-Y359 HydrophobicContact CD1-CE1 3.73Å; Y348-Y359 AromaticContact CD1-CZ 3.77Å; Y348-Y359 VanDerWaalsContact CD1-OH 3.31Å; Y348-Y359 WeakPolarHBondContact CD1-OH 3.48Å; Y348-Y359 AromaticContact CD2-CD1 3.43Å; Y348-Y359 HydrophobicContact CD2-CD1 3.43Å; Y348-Y359 VanDerWaalsContact CD2-CD1 3.43Å; Y348-Y359 HydrophobicContact CD2-CD2 4.21Å; Y348-Y359 AromaticContact CD2-CE1 2.88Å; Y348-Y359 HydrophobicContact CD2-CE1 2.88Å; Y348-Y359 AromaticContact CD2-CE2 3.74Å; Y348-Y359 HydrophobicContact CD2-CE2 3.74Å; Y348-Y359 HydrophobicContact CD2-CG 4.11Å; Y348-Y359 AromaticContact CD2-CZ 3.11Å; Y348-Y359 HydrophobicContact CE1-CE1 4.05Å; Y348-Y359 HydrophobicContact CE1-CE2 4.45Å; Y348-Y359 AromaticContact CE1-CZ 3.57Å; Y348-Y359 WeakPolarHBondContact CE1-OH 3.49Å; Y348-Y359 AromaticContact CE2-CD1 3.92Å; Y348-Y359 HydrophobicContact CE2-CD1 3.92Å; Y348-Y359 AromaticContact CE2-CD2 3.86Å; Y348-Y359 HydrophobicContact CE2-CD2 3.86Å; Y348-Y359 AromaticContact CE2-CE1 3.25Å; Y348-Y359 HydrophobicContact CE2-CE1 3.25Å; Y348-Y359 AromaticContact CE2-CE2 3.14Å; Y348-Y359 HydrophobicContact CE2-CE2 3.14Å; Y348-Y359 HydrophobicContact CE2-CG 4.24Å; Y348-Y359 AromaticContact CE2-CZ 2.83Å; Y348-Y359 WeakPolarHBondContact CE2-OH 3.13Å; Y348-Y359 AromaticContact CG-CD1 3.96Å; Y348-Y359 HydrophobicContact CG-CD1 3.96Å; Y348-Y359 AromaticContact CG-CE1 3.13Å; Y348-Y359 HydrophobicContact CG-CE1 3.13Å; Y348-Y359 AromaticContact CG-CZ 3.54Å; Y348-Y359 AromaticContact CZ-CE1 3.82Å; Y348-Y359 AromaticContact CZ-CE2 3.55Å; Y348-Y359 AromaticContact CZ-CZ 3.09Å; Y348-Y359 PolarHBondContact OH-OH 2.96Å; Y348-Y359 VanDerWaalsContact OH-OH 3.07Å; Y359-V361 HydrophobicContact CD2-CG2 3.8Å; Y359-V361 HydrophobicContact CE2-CG2 3.8Å
360	K	41.5	Very low	44.7	Very low	95 Å²	95	114.4 Å²	114.4	41%	0.413	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-98.4	129.7	170.7	-61.4	-169	-161.2	138.7	0	108.6	E143	E143-K360 VanDerWaalsContact CD-NZ 3.28Å; E143-K360 WeakPolarHBondContact OE1-CD 3.46Å; E143-K360 VanDerWaalsContact OE1-CE 3.23Å; E143-K360 WeakPolarHBondContact OE1-CE 3.32Å; E143-K360 IonicContact OE1-NZ 3.48Å; E143-K360 PolarHBondContact OE1-NZ 3.1Å; E143-K360 IonicContact OE2-NZ 2.96Å; E143-K360 PolarHBondContact OE2-NZ 3.28Å; E143-K360 VanDerWaalsContact OE2-NZ 3.08Å
361	V	46.9	Very low	45.3	Very low	66 Å²	66	112.5 Å²	112.5	40%	0.4	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-93.8	131.2	176	-176.8	0	0	0	0	108.1	Y359	Y359-V361 HydrophobicContact CD2-CG2 3.8Å; Y359-V361 HydrophobicContact CE2-CG2 3.8Å
362	Y	46	Very low	45.7	Very low	84 Å²	84	112.1 Å²	112.1	33%	0.329	59%	0.585	S	S	.	*			trans	-105.3	140.6	174.3	-64.4	-81.1	0	0	0	109.7	V338 K340 I380	V338-Y362 HydrophobicContact CG1-CD1 4.03Å; V338-Y362 HydrophobicContact CG1-CG 4.11Å; K340-Y362 HydrophobicContact CG-CE1 4.38Å; Y362-I380 HydrophobicContact CE1-CD1 3.78Å
363	E	44.8	Very low	45.9	Very low	131 Å²	131	111.6 Å²	111.6	61%	0.612	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.7	143.9	177.2	-175.8	169.4	-150.1	0	0	109.9	I341	I341-E363 HydrophobicContact CD1-CB 3.39Å; I341-E363 HydrophobicContact CG1-CB 4.07Å
364	S	46.6	Very low	46.1	Very low	88 Å²	88	109.9 Å²	109.9	62%	0.615	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.9	133.9	-178.5	54.6	0	0	0	0	111.3	N366	S364-N366 PolarHBondContact O-N 3.32Å
365	Y	45.3	Very low	46.4	Very low	60 Å²	60	109.5 Å²	109.5	24%	0.235	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-73	120.3	172.8	-158	-86.6	0	0	0	109.9	K337 R339	K337-Y365 WeakPolarHBondContact O-CB 3.02Å; R339-Y365 HydrophobicContact CB-CD2 4.16Å; R339-Y365 HydrophobicContact CG-CD2 4.11Å; R339-Y365 HydrophobicContact CG-CE2 4.33Å
366	N	51.9	Low	46.7	Very low	115 Å²	115	112 Å²	112	62%	0.615	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-92.1	127.9	169.6	-78.6	-22.2	0	0	0	108.9	S364 D368	S364-N366 PolarHBondContact O-N 3.32Å; N366-D368 PolarHBondContact O-N 2.98Å
367	N	53.2	Low	47.3	Very low	137 Å²	137	110.2 Å²	110.2	73%	0.733	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	10	-173.7	-75.7	-23.7	0	0	0	115.1
368	D	55.3	Low	47.6	Very low	148 Å²	148	112.5 Å²	112.5	79%	0.791	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-6.1	-173.2	-67.2	-26.4	0	0	0	113.8	N366	N366-D368 PolarHBondContact O-N 2.98Å
369	D	49.9	Very low	48.1	Very low	114 Å²	114	110.8 Å²	110.8	61%	0.61	57%	0.569	S	S	*	*			trans	-106.4	111.3	177	-64.6	-38.7	0	0	0	110.7	D371	D369-D371 PolarHBondContact O-N 3.42Å
370	D	49.9	Very low	48.6	Very low	165 Å²	165	108.3 Å²	108.3	88%	0.882	56%	0.562	S	S	*	*			trans	-66.7	28.7	176	-82	-32.9	0	0	0	113.8	I372	D370-I372 PolarHBondContact O-N 2.8Å
371	D	45.4	Very low	49.3	Very low	104 Å²	104	105.7 Å²	105.7	56%	0.556	55%	0.554	S	S	*	*			trans	-75.7	114.8	-178.4	-80.3	-14.5	0	0	0	110.9	D369 I373	D369-D371 PolarHBondContact O-N 3.42Å; D371-I373 PolarHBondContact O-N 3.15Å
372	I	50.4	Low	49.8	Very low	162 Å²	162	108.6 Å²	108.6	83%	0.831	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-51.6	117.2	172.9	-62.7	165.8	0	0	0	108.5	D370 D374	D370-I372 PolarHBondContact O-N 2.8Å; I372-D374 PolarHBondContact O-N 3.02Å; I372-D374 VanDerWaalsContact O-N 3.14Å
373	I	48	Very low	50.7	Low	69 Å²	69	110.2 Å²	110.2	35%	0.354	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-59.6	116.3	171.6	-61.1	169.6	0	0	0	107.5	D371	D371-I373 PolarHBondContact O-N 3.15Å
374	D	49.1	Very low	51.9	Low	108 Å²	108	106.8 Å²	106.8	58%	0.578	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-67.5	135.8	171.1	-161.9	8.3	0	0	0	108.4	I372 N376 E377	I372-D374 PolarHBondContact O-N 3.02Å; I372-D374 VanDerWaalsContact O-N 3.14Å; D374-N376 PolarHBondContact O-N 3.05Å; D374-E377 PolarHBondContact O-N 3.36Å
375	D	50.4	Low	53.3	Low	162 Å²	162	102.8 Å²	102.8	87%	0.866	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-8.1	-171.2	-75.8	-31.7	0	0	0	114
376	N	49.2	Very low	55.1	Low	146 Å²	146	101 Å²	101	78%	0.781	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	3.4	-179.5	-63.9	-42.9	0	0	0	114.8	D374	D374-N376 PolarHBondContact O-N 3.05Å
377	E	48	Very low	56.7	Low	73 Å²	73	98 Å²	98	34%	0.341	52%	0.518	S	S	.	.			trans	-91.6	114.7	175.4	-69.6	-163.7	155.2	0	0	112.3	R339 D374 V379	R339-E377 IonicContact CZ-OE2 3.95Å; R339-E377 IonicContact NE-OE2 2.71Å; R339-E377 PolarHBondContact NE-OE2 3.48Å; R339-E377 VanDerWaalsContact NE-OE2 3.08Å; R339-E377 IonicContact NH2-OE1 3.39Å; R339-E377 IonicContact NH2-OE2 3.46Å; R339-E377 PolarHBondContact NH2-OE2 3.35Å; D374-E377 PolarHBondContact O-N 3.36Å; E377-V379 PolarHBondContact O-N 3.46Å; E377-V379 VanDerWaalsContact O-N 3.15Å
378	E	47.6	Very low	58.2	Low	131 Å²	131	94.9 Å²	94.9	61%	0.612	50%	0.5	S	S	*	.			trans	-70	105.4	170	-76.9	178.8	157.7	0	0	110.5	K340	K340-E378 IonicContact NZ-OE2 3.57Å; K340-E378 PolarHBondContact NZ-OE2 3.31Å
379	V	49	Very low	59.7	Low	57 Å²	57	93.7 Å²	93.7	35%	0.345	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.3	168.4	179.2	0	0	0	0	108.8	K337 E377 T381	K337-V379 HydrophobicContact CB-CG1 3.51Å; K337-V379 HydrophobicContact CD-CG1 4.01Å; K337-V379 HydrophobicContact CG-CG1 3.64Å; E377-V379 PolarHBondContact O-N 3.46Å; E377-V379 VanDerWaalsContact O-N 3.15Å; V379-T381 HydrophobicContact CG1-CG2 4.49Å
380	I	53	Low	61.4	Low	59 Å²	59	90.3 Å²	90.3	30%	0.303	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.7	175.8	-55.1	177.4	0	0	0	108.5	V338 Y362	V338-I380 WeakPolarHBondContact CB-O 3.4Å; V338-I380 PolarHBondContact N-O 2.99Å; V338-I380 PolarHBondContact O-N 3.32Å; Y362-I380 HydrophobicContact CE1-CD1 3.78Å
381	T	55.5	Low	63.1	Low	41 Å²	41	85 Å²	85	25%	0.252	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.4	179.3	51.5	0	0	0	0	108.9	V335 V379 E384	V335-T381 HydrophobicContact CG1-CG2 3.52Å; V379-T381 HydrophobicContact CG1-CG2 4.49Å; T381-E384 WeakPolarHBondContact CB-OE1 3.1Å; T381-E384 HydrophobicContact CG2-CG 4Å; T381-E384 VanDerWaalsContact CG2-OE1 3.3Å; T381-E384 WeakPolarHBondContact CG2-OE1 3.33Å; T381-E384 WeakPolarHBondContact OG1-CG 3.06Å; T381-E384 PolarHBondContact OG1-OE1 3.21Å
382	I	58.1	Low	65	Low	127 Å²	127	82.4 Å²	82.4	65%	0.651	44%	0.437	S	S	*	.	S	Bend	trans	-71.6	-35.6	-171.7	-59.8	176.3	0	0	0	111.3	V338	V338-I382 HydrophobicContact CG2-CD1 3.76Å; V338-I382 HydrophobicContact CG2-CG1 4Å
383	H	64.9	Low	66.6	Low	118 Å²	118	81.5 Å²	81.5	55%	0.546	42%	0.424	S	S	.	.	S	Bend	trans	-144.5	106.8	177.4	-169.3	-75.7	0	0	0	108.7	G385	H383-G385 PolarHBondContact CE1-O 3.28Å
384	E	68.4	Low	68	Low	59 Å²	59	82.3 Å²	82.3	28%	0.276	42%	0.423	S	S	.	.			trans	-105.5	127.9	175.1	-65.2	-164.5	131.7	0	0	111.7	Y302 V335 T381	Y302-E384 HydrophobicContact CD1-CB 4.3Å; Y302-E384 HydrophobicContact CG-CB 4.4Å; V335-E384 HydrophobicContact CG1-CG 4.38Å; T381-E384 WeakPolarHBondContact CB-OE1 3.1Å; T381-E384 HydrophobicContact CG2-CG 4Å; T381-E384 VanDerWaalsContact CG2-OE1 3.3Å; T381-E384 WeakPolarHBondContact CG2-OE1 3.33Å; T381-E384 WeakPolarHBondContact OG1-CG 3.06Å; T381-E384 PolarHBondContact OG1-OE1 3.21Å
385	G	75.9	Confident	68.8	Low	4 Å²	4	79.5 Å²	79.5	4%	0.041	42%	0.42	C	S	.	.	S	Bend	trans	80	-160.9	168.7	0	0	0	0	0	113.1	Y302 E333 H383	Y302-G385 WeakPolarHBondContact O-CA 3.43Å; E333-G385 VanDerWaalsContact OE1-CA 3.25Å; E333-G385 WeakPolarHBondContact OE1-CA 3.46Å; E333-G385 PolarHBondContact OE1-N 3.09Å; E333-G385 WeakPolarHBondContact OE2-CA 3.49Å; H383-G385 PolarHBondContact CE1-O 3.28Å
386	S	83.8	Confident	69.1	Low	21 Å²	21	81.6 Å²	81.6	15%	0.147	42%	0.417	C	S	.	.			trans	-123.5	119.6	-175.6	-167.3	0	0	0	0	109.7	Y90 Y302 N412 G413	Y90-S386 PolarHBondContact OH-O 3.45Å; Y302-S386 PolarHBondContact O-N 2.89Å; Y302-S386 VanDerWaalsContact O-N 3.09Å; S386-N412 WeakPolarHBondContact O-CA 3.22Å; S386-G413 WeakPolarHBondContact CB-O 3.29Å; S386-G413 PolarHBondContact O-N 3.37Å; S386-G413 VanDerWaalsContact O-N 3.09Å
387	S	85.1	Confident	69.3	Low	54 Å²	54	78.5 Å²	78.5	38%	0.378	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.7	176.3	73.2	0	0	0	0	110.6	V411 N412	S387-V411 CarbonylContact C-O 3.54Å; S387-V411 WeakPolarHBondContact CA-O 3.1Å; S387-N412 VanDerWaalsContact CB-OD1 3.24Å; S387-N412 WeakPolarHBondContact CB-OD1 3.18Å
388	L	86.3	Confident	69.8	Low	70 Å²	70	78.5 Å²	78.5	37%	0.366	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.9	-178.6	-179.3	65.2	0	0	0	109.4	L81 Y90 V411	L81-L388 HydrophobicContact CD1-CD2 3.52Å; Y90-L388 HydrophobicContact CD1-CD2 4.36Å; Y90-L388 HydrophobicContact CE1-CB 4.3Å; Y90-L388 HydrophobicContact CE1-CD2 4.26Å; L388-V411 HydrophobicContact CB-CG2 4.04Å; L388-V411 PolarHBondContact N-O 2.93Å; L388-V411 WeakPolarHBondContact O-CG2 3.36Å; L388-V411 PolarHBondContact O-N 3.4Å
389	R	86.2	Confident	70.4	Confident	123 Å²	123	81.1 Å²	81.1	46%	0.464	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.7	170.5	-66.3	177.8	-176	149.2	-4.4	108.4	E150 L408 I409 H410	E150-R389 IonicContact OE1-NH2 3.74Å; R389-L408 HydrophobicContact CB-CD1 4.24Å; R389-I409 WeakPolarHBondContact CA-O 3.46Å; R389-H410 HydrophobicContact CG-CB 4.39Å
390	S	85.7	Confident	70.7	Confident	44 Å²	44	87.1 Å²	87.1	31%	0.308	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.5	176.8	-174.3	0	0	0	0	110.1	I409	S390-I409 PolarHBondContact N-O 2.79Å; S390-I409 PolarHBondContact O-N 3.03Å
391	T	85.8	Confident	71	Confident	53 Å²	53	88.5 Å²	88.5	33%	0.325	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.8	178.2	56.7	0	0	0	0	111.2	Y393 I407 L408	T391-Y393 WeakPolarHBondContact OG1-CE2 3.31Å; T391-I407 CarbonylContact C-O 3.59Å; T391-I407 VanDerWaalsContact CA-O 3.27Å; T391-I407 WeakPolarHBondContact CA-O 3.22Å; T391-L408 HydrophobicContact CG2-CB 4.47Å; T391-L408 HydrophobicContact CG2-CD1 3.5Å; T391-L408 VanDerWaalsContact CG2-CD1 3.5Å
392	A	85.5	Confident	71.2	Confident	49 Å²	49	94.5 Å²	94.5	41%	0.405	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.7	169.7	0	0	0	0	0	109.7	R406 I407	A392-R406 CarbonylContact O-C 3.46Å; A392-R406 WeakPolarHBondContact O-CA 2.91Å; A392-I407 HydrophobicContact CB-CB 4.5Å; A392-I407 PolarHBondContact N-O 3.3Å; A392-I407 PolarHBondContact O-N 3.06Å
393	Y	83.6	Confident	71.7	Confident	143 Å²	143	92.7 Å²	92.7	56%	0.561	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.5	179.4	-67	-88.3	0	0	0	110.5	W172 T391 R406	W172-Y393 HydrophobicContact CH2-CD1 4.13Å; W172-Y393 AromaticContact CH2-CE1 3.77Å; W172-Y393 HydrophobicContact CH2-CE1 3.77Å; W172-Y393 HydrophobicContact CZ2-CD1 4.46Å; W172-Y393 AromaticContact CZ2-CE1 3.68Å; W172-Y393 HydrophobicContact CZ2-CE1 3.68Å; T391-Y393 WeakPolarHBondContact OG1-CE2 3.31Å; Y393-R406 HydrophobicContact CD1-CB 3.71Å; Y393-R406 HydrophobicContact CE1-CB 3.87Å; Y393-R406 HydrophobicContact CE1-CG 4.47Å; Y393-R406 HydrophobicContact CG-CB 4.31Å
394	Y	77.7	Confident	72.2	Confident	86 Å²	86	94.9 Å²	94.9	34%	0.337	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.9	177.5	69.1	-76.2	0	0	0	110.7	I100 R405 I407	I100-Y394 WeakPolarHBondContact CG1-OH 3.36Å; I100-Y394 WeakPolarHBondContact CG2-OH 3.28Å; Y394-R405 HydrophobicContact CD1-CB 4.2Å; Y394-R405 HydrophobicContact CD2-CB 4.24Å; Y394-R405 HydrophobicContact CE1-CB 3.83Å; Y394-R405 HydrophobicContact CE2-CB 3.94Å; Y394-R405 HydrophobicContact CG-CB 4.39Å; Y394-R405 PolarHBondContact N-O 2.92Å; Y394-R405 CarbonylContact O-C 3.35Å; Y394-R405 WeakPolarHBondContact O-CA 3.35Å; Y394-R405 VanDerWaalsContact O-CB 3.31Å; Y394-R405 WeakPolarHBondContact O-CB 3.11Å; Y394-R405 PolarHBondContact O-N 3.12Å; Y394-I407 HydrophobicContact CD1-CD1 4.34Å; Y394-I407 HydrophobicContact CD1-CG1 3.72Å; Y394-I407 HydrophobicContact CE1-CB 4.41Å; Y394-I407 HydrophobicContact CE1-CD1 4.02Å; Y394-I407 HydrophobicContact CE1-CG1 3.23Å
395	G	65.6	Low	72.9	Confident	50 Å²	50	97.1 Å²	97.1	52%	0.515	47%	0.468	S	S	.	.			trans	125.8	148.6	-178.4	0	0	0	0	0	112.3
396	Y	56	Low	73.4	Confident	206 Å²	206	98.8 Å²	98.8	81%	0.808	47%	0.472	S	S	*	.			trans	-96.1	130.6	179.1	-57.8	-84.9	0	0	0	108.8	T398	Y396-T398 PolarHBondContact O-N 3.42Å
397	D	54.3	Low	73.4	Confident	80 Å²	80	100.2 Å²	100.2	43%	0.428	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	100	155.5	-101.4	1.7	0	0	0	105.5	K402	D397-K402 WeakPolarHBondContact OD1-CA 3.41Å; D397-K402 VanDerWaalsContact OD1-CB 3.27Å; D397-K402 WeakPolarHBondContact OD1-CB 3.43Å; D397-K402 VanDerWaalsContact OD1-CG 3.27Å; D397-K402 WeakPolarHBondContact OD1-CG 3.2Å
398	T	58.5	Low	73.4	Confident	73 Å²	73	98.4 Å²	98.4	45%	0.448	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	150.6	159.6	61.6	0	0	0	0	107.7	Y396 F400 I401	Y396-T398 PolarHBondContact O-N 3.42Å; T398-F400 PolarHBondContact O-N 3.16Å; T398-I401 PolarHBondContact N-O 3.29Å; T398-I401 CarbonylContact O-C 3.49Å; T398-I401 PolarHBondContact O-N 3.38Å; T398-I401 PolarHBondContact OG1-N 3.3Å
399	E	58.9	Low	73.3	Confident	186 Å²	186	97.4 Å²	97.4	87%	0.869	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-26.1	-178.6	-73	-178.5	159	0	0	113.4
400	F	57.1	Low	73.2	Confident	183 Å²	183	92.3 Å²	92.3	80%	0.803	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-19.1	-177.8	-58.3	-76.2	0	0	0	114.3	T398	T398-F400 PolarHBondContact O-N 3.16Å
401	I	58.3	Low	73.3	Confident	88 Å²	88	90.4 Å²	90.4	45%	0.451	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	94.8	-173.8	-55.2	178.6	0	0	0	110	T398 Q403	T398-I401 PolarHBondContact N-O 3.29Å; T398-I401 CarbonylContact O-C 3.49Å; T398-I401 PolarHBondContact O-N 3.38Å; T398-I401 PolarHBondContact OG1-N 3.3Å; I401-Q403 VanDerWaalsContact C-N 3.3Å; I401-Q403 HydrophobicContact CG2-CB 3.87Å; I401-Q403 HydrophobicContact CG2-CG 3.43Å; I401-Q403 VanDerWaalsContact CG2-CG 3.43Å; I401-Q403 PolarHBondContact O-N 3.18Å
402	K	59.9	Low	73.4	Confident	168 Å²	168	88.2 Å²	88.2	73%	0.73	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	74.4	168	-64.6	-165.2	174.1	174.9	0	111.1	D397	D397-K402 WeakPolarHBondContact OD1-CA 3.41Å; D397-K402 VanDerWaalsContact OD1-CB 3.27Å; D397-K402 WeakPolarHBondContact OD1-CB 3.43Å; D397-K402 VanDerWaalsContact OD1-CG 3.27Å; D397-K402 WeakPolarHBondContact OD1-CG 3.2Å
403	Q	67.9	Low	73.7	Confident	88 Å²	88	85.9 Å²	85.9	41%	0.411	39%	0.394	S	S	.	.			trans	-105.7	81	176.6	-79.8	-177.3	22.8	0	0	111.2	I401 R405	I401-Q403 VanDerWaalsContact C-N 3.3Å; I401-Q403 HydrophobicContact CG2-CB 3.87Å; I401-Q403 HydrophobicContact CG2-CG 3.43Å; I401-Q403 VanDerWaalsContact CG2-CG 3.43Å; I401-Q403 PolarHBondContact O-N 3.18Å; Q403-R405 PolarHBondContact O-N 3.03Å
404	R	75.5	Confident	74	Confident	165 Å²	165	79.1 Å²	79.1	62%	0.623	37%	0.367	S	S	*	.			trans	-65	122.7	168.9	-65.5	-178	179.2	-179.5	-2.7	109.7	W172	W172-R404 HydrophobicContact CH2-CB 4.28Å
405	R	83.9	Confident	74.7	Confident	106 Å²	106	78.4 Å²	78.4	40%	0.4	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.4	172.1	-58.3	-177.6	-178.1	-178	0.3	109.5	Q101 R102 Y394 Q403	Q101-R405 CarbonylContact O-C 3.43Å; Q101-R405 VanDerWaalsContact O-CA 3.31Å; Q101-R405 WeakPolarHBondContact O-CA 3.47Å; R102-R405 HydrophobicContact CB-CG 4.48Å; Y394-R405 HydrophobicContact CD1-CB 4.2Å; Y394-R405 HydrophobicContact CD2-CB 4.24Å; Y394-R405 HydrophobicContact CE1-CB 3.83Å; Y394-R405 HydrophobicContact CE2-CB 3.94Å; Y394-R405 HydrophobicContact CG-CB 4.39Å; Y394-R405 PolarHBondContact N-O 2.92Å; Y394-R405 CarbonylContact O-C 3.35Å; Y394-R405 WeakPolarHBondContact O-CA 3.35Å; Y394-R405 VanDerWaalsContact O-CB 3.31Å; Y394-R405 WeakPolarHBondContact O-CB 3.11Å; Y394-R405 PolarHBondContact O-N 3.12Å; Q403-R405 PolarHBondContact O-N 3.03Å
406	R	85.4	Confident	76	Confident	38 Å²	38	76 Å²	76	14%	0.143	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.8	171.3	74.9	-179.3	-171.7	178.5	1.8	110.4	Q101 W172 A392 Y393	Q101-R406 HydrophobicContact CB-CG 3.96Å; Q101-R406 PolarHBondContact N-O 2.85Å; Q101-R406 PolarHBondContact O-N 2.61Å; Q101-R406 VanDerWaalsContact OE1-CZ 3.26Å; W172-R406 VanDerWaalsContact CD1-NH2 3.33Å; W172-R406 VanDerWaalsContact CD2-CD 3.48Å; W172-R406 HydrophobicContact CD2-CG 4.08Å; W172-R406 VanDerWaalsContact CD2-CZ 3.48Å; W172-R406 HydrophobicContact CE3-CB 4.43Å; W172-R406 HydrophobicContact CE3-CG 3.55Å; W172-R406 VanDerWaalsContact CG-NE 3.28Å; W172-R406 HydrophobicContact CH2-CB 4.29Å; W172-R406 HydrophobicContact CH2-CG 4.18Å; W172-R406 HydrophobicContact CZ3-CB 3.99Å; W172-R406 HydrophobicContact CZ3-CG 3.61Å; A392-R406 CarbonylContact O-C 3.46Å; A392-R406 WeakPolarHBondContact O-CA 2.91Å; Y393-R406 HydrophobicContact CD1-CB 3.71Å; Y393-R406 HydrophobicContact CE1-CB 3.87Å; Y393-R406 HydrophobicContact CE1-CG 4.47Å; Y393-R406 HydrophobicContact CG-CB 4.31Å
407	I	84.7	Confident	77.7	Confident	52 Å²	52	68.3 Å²	68.3	27%	0.267	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.2	166.1	-48.7	-175.7	0	0	0	105.7	F98 V99 T391 A392 Y394 I409	F98-I407 HydrophobicContact CB-CG2 4.41Å; V99-I407 WeakPolarHBondContact O-CA 3.47Å; T391-I407 CarbonylContact C-O 3.59Å; T391-I407 VanDerWaalsContact CA-O 3.27Å; T391-I407 WeakPolarHBondContact CA-O 3.22Å; A392-I407 HydrophobicContact CB-CB 4.5Å; A392-I407 PolarHBondContact N-O 3.3Å; A392-I407 PolarHBondContact O-N 3.06Å; Y394-I407 HydrophobicContact CD1-CD1 4.34Å; Y394-I407 HydrophobicContact CD1-CG1 3.72Å; Y394-I407 HydrophobicContact CE1-CB 4.41Å; Y394-I407 HydrophobicContact CE1-CD1 4.02Å; Y394-I407 HydrophobicContact CE1-CG1 3.23Å; I407-I409 HydrophobicContact CG2-CD1 4.24Å; I407-I409 HydrophobicContact CG2-CG1 3.77Å
408	L	85.6	Confident	79.6	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.3	169.1	176.5	67.3	0	0	0	107.8	F98 V99 T176 R389 T391	F98-L408 CarbonylContact C-O 3.45Å; F98-L408 WeakPolarHBondContact CA-O 3.31Å; V99-L408 PolarHBondContact N-O 3.38Å; V99-L408 PolarHBondContact O-N 3.43Å; T176-L408 HydrophobicContact CG2-CD2 4.22Å; R389-L408 HydrophobicContact CB-CD1 4.24Å; T391-L408 HydrophobicContact CG2-CB 4.47Å; T391-L408 HydrophobicContact CG2-CD1 3.5Å; T391-L408 VanDerWaalsContact CG2-CD1 3.5Å
409	I	83.2	Confident	81.2	Confident	50 Å²	50	66.2 Å²	66.2	26%	0.256	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.8	-179.9	-47.9	176.8	0	0	0	107.8	I95 F98 R389 S390 I407 V411	I95-I409 HydrophobicContact CG2-CG2 4.02Å; F98-I409 HydrophobicContact CB-CG1 4.17Å; F98-I409 HydrophobicContact CB-CG2 4.38Å; R389-I409 WeakPolarHBondContact CA-O 3.46Å; S390-I409 PolarHBondContact N-O 2.79Å; S390-I409 PolarHBondContact O-N 3.03Å; I407-I409 HydrophobicContact CG2-CD1 4.24Å; I407-I409 HydrophobicContact CG2-CG1 3.77Å; I409-V411 HydrophobicContact CG2-CG1 3.59Å
410	H	84.9	Confident	83	Confident	16 Å²	16	58.4 Å²	58.4	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.8	173.7	-170.5	177.7	0	0	0	108.9	K96 H97 R389	K96-H410 HydrophobicContact CB-CB 4.38Å; K96-H410 PolarHBondContact N-O 2.82Å; H97-H410 AromaticContact CE1-ND1 3.51Å; H97-H410 WeakPolarHBondContact NE2-CB 3.46Å; H97-H410 AromaticContact NE2-ND1 3.79Å; H97-H410 PolarHBondContact O-N 3.4Å; R389-H410 HydrophobicContact CG-CB 4.39Å
411	V	87.7	Confident	84.8	Confident	3 Å²	3	54 Å²	54	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.8	-174	-61	0	0	0	0	111.2	Y90 I92 T94 I95 S387 L388 I409	Y90-V411 HydrophobicContact CE1-CG2 4.21Å; I92-V411 HydrophobicContact CD1-CB 4.41Å; I92-V411 HydrophobicContact CD1-CG1 4.13Å; I92-V411 HydrophobicContact CD1-CG2 4.18Å; I92-V411 HydrophobicContact CG1-CB 4.13Å; I92-V411 HydrophobicContact CG1-CG1 4.36Å; I92-V411 HydrophobicContact CG1-CG2 3.94Å; I92-V411 HydrophobicContact CG2-CB 3.81Å; I92-V411 HydrophobicContact CG2-CG1 3.89Å; T94-V411 CarbonylContact O-C 3.52Å; T94-V411 VanDerWaalsContact O-CA 3.23Å; T94-V411 WeakPolarHBondContact O-CA 3.18Å; T94-V411 WeakPolarHBondContact O-CB 3.41Å; I95-V411 HydrophobicContact CG1-CG1 4.12Å; S387-V411 CarbonylContact C-O 3.54Å; S387-V411 WeakPolarHBondContact CA-O 3.1Å; L388-V411 HydrophobicContact CB-CG2 4.04Å; L388-V411 PolarHBondContact N-O 2.93Å; L388-V411 WeakPolarHBondContact O-CG2 3.36Å; L388-V411 PolarHBondContact O-N 3.4Å; I409-V411 HydrophobicContact CG2-CG1 3.59Å
412	N	88.2	Confident	86.5	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152.4	159.6	-62.8	-12.4	0	0	0	109	T93 T94 K96 K301 S386 S387	T93-N412 PolarHBondContact N-O 3.2Å; T93-N412 PolarHBondContact OG1-O 3.38Å; T94-N412 PolarHBondContact N-O 3.06Å; T94-N412 PolarHBondContact O-N 2.71Å; T94-N412 WeakPolarHBondContact OG1-CB 3.36Å; K96-N412 VanDerWaalsContact CE-ND2 3.27Å; K96-N412 WeakPolarHBondContact CE-ND2 3.49Å; K96-N412 WeakPolarHBondContact CE-OD1 3.49Å; K96-N412 PolarHBondContact NZ-OD1 2.88Å; K96-N412 VanDerWaalsContact NZ-OD1 3.1Å; K301-N412 PolarHBondContact O-ND2 2.7Å; S386-N412 WeakPolarHBondContact O-CA 3.22Å; S387-N412 VanDerWaalsContact CB-OD1 3.24Å; S387-N412 WeakPolarHBondContact CB-OD1 3.18Å
413	G	90.4	Very high	88.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	175.7	-176.2	0	0	0	0	0	113.5	Y90 L91 G303 G304 S386	Y90-G413 WeakPolarHBondContact OH-CA 3.46Å; Y90-G413 PolarHBondContact OH-N 3.02Å; L91-G413 CarbonylContact O-C 3.53Å; L91-G413 WeakPolarHBondContact O-CA 3.38Å; G303-G413 CarbonylContact C-O 3.54Å; G303-G413 WeakPolarHBondContact CA-O 3.27Å; G304-G413 PolarHBondContact N-O 2.99Å; S386-G413 WeakPolarHBondContact CB-O 3.29Å; S386-G413 PolarHBondContact O-N 3.37Å; S386-G413 VanDerWaalsContact O-N 3.09Å
414	I	91	Very high	89.5	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.8	179	-57.5	167.5	0	0	0	108.1	L91 T93 F289 L299 G304 I306 F416	L91-I414 PolarHBondContact N-O 2.87Å; L91-I414 PolarHBondContact O-N 2.96Å; T93-I414 HydrophobicContact CG2-CD1 3.82Å; T93-I414 HydrophobicContact CG2-CG1 3.82Å; F289-I414 HydrophobicContact CE1-CD1 3.92Å; F289-I414 HydrophobicContact CZ-CD1 3.6Å; L299-I414 HydrophobicContact CB-CD1 4.07Å; G304-I414 CarbonylContact O-C 3.46Å; G304-I414 VanDerWaalsContact O-CA 3.28Å; G304-I414 WeakPolarHBondContact O-CA 3.46Å; I306-I414 HydrophobicContact CB-CG2 4.33Å; I306-I414 HydrophobicContact CD1-CG2 3.77Å; I306-I414 HydrophobicContact CG1-CG2 3.87Å; I414-F416 HydrophobicContact CB-CD2 4.43Å; I414-F416 HydrophobicContact CB-CE2 3.81Å; I414-F416 HydrophobicContact CB-CZ 4.35Å; I414-F416 HydrophobicContact CG2-CD2 3.98Å; I414-F416 HydrophobicContact CG2-CE1 4.37Å; I414-F416 HydrophobicContact CG2-CE2 3.47Å; I414-F416 VanDerWaalsContact CG2-CE2 3.47Å; I414-F416 HydrophobicContact CG2-CZ 3.67Å
415	Q	91.5	Very high	90.5	Very high	71 Å²	71	34.2 Å²	34.2	33%	0.332	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.5	171.9	-171.1	176.3	5.8	0	0	109.6	Y90 G304 V305 I306 I417	Y90-Q415 HydrophobicContact CD2-CB 3.97Å; Y90-Q415 HydrophobicContact CD2-CG 4.48Å; G304-Q415 PolarHBondContact O-N 3.23Å; V305-Q415 CarbonylContact C-O 3.53Å; V305-Q415 WeakPolarHBondContact CA-O 3.42Å; V305-Q415 HydrophobicContact CG1-CB 4.39Å; V305-Q415 HydrophobicContact CG2-CB 4.26Å; I306-Q415 PolarHBondContact N-O 2.96Å; Q415-I417 HydrophobicContact CG-CG1 4.37Å
416	F	92.2	Very high	91	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.1	172.7	-71.1	-89.6	0	0	0	110.2	G88 F89 L91 I238 L285 I306 I308 I414	G88-F416 CarbonylContact C-O 3.58Å; G88-F416 WeakPolarHBondContact CA-O 3.4Å; F89-F416 HydrophobicContact CD1-CB 3.85Å; F89-F416 HydrophobicContact CD2-CB 4.29Å; F89-F416 AromaticContact CD2-CD2 3.92Å; F89-F416 HydrophobicContact CD2-CD2 3.92Å; F89-F416 HydrophobicContact CD2-CG 4.43Å; F89-F416 HydrophobicContact CE1-CB 3.46Å; F89-F416 VanDerWaalsContact CE1-CB 3.46Å; F89-F416 HydrophobicContact CE1-CD2 4.22Å; F89-F416 AromaticContact CE1-CG 3.84Å; F89-F416 HydrophobicContact CE1-CG 3.84Å; F89-F416 HydrophobicContact CE2-CB 3.98Å; F89-F416 AromaticContact CE2-CD2 3.21Å; F89-F416 HydrophobicContact CE2-CD2 3.21Å; F89-F416 AromaticContact CE2-CE2 3.85Å; F89-F416 HydrophobicContact CE2-CE2 3.85Å; F89-F416 AromaticContact CE2-CG 3.72Å; F89-F416 HydrophobicContact CE2-CG 3.72Å; F89-F416 HydrophobicContact CG-CB 4.25Å; F89-F416 HydrophobicContact CZ-CB 3.54Å; F89-F416 HydrophobicContact CZ-CD1 4.07Å; F89-F416 AromaticContact CZ-CD2 3.38Å; F89-F416 HydrophobicContact CZ-CD2 3.38Å; F89-F416 HydrophobicContact CZ-CE2 4.09Å; F89-F416 AromaticContact CZ-CG 3.37Å; F89-F416 HydrophobicContact CZ-CG 3.37Å; F89-F416 PolarHBondContact N-O 3.21Å; F89-F416 PolarHBondContact O-N 2.95Å; L91-F416 HydrophobicContact CB-CD2 4.45Å; L91-F416 HydrophobicContact CB-CE2 4.19Å; L91-F416 HydrophobicContact CD2-CE2 4.26Å; I238-F416 HydrophobicContact CD1-CE1 4.38Å; I238-F416 HydrophobicContact CD1-CZ 4.47Å; L285-F416 HydrophobicContact CD2-CE1 3.95Å; L285-F416 HydrophobicContact CD2-CE2 4.09Å; L285-F416 HydrophobicContact CD2-CZ 3.33Å; I306-F416 HydrophobicContact CB-CD1 4Å; I306-F416 HydrophobicContact CB-CE1 3.93Å; I306-F416 HydrophobicContact CD1-CE1 4.01Å; I306-F416 HydrophobicContact CD1-CZ 4.17Å; I306-F416 HydrophobicContact CG2-CD1 4.06Å; I306-F416 HydrophobicContact CG2-CE1 3.93Å; I306-F416 CarbonylContact O-C 3.57Å; I306-F416 VanDerWaalsContact O-CA 3.29Å; I306-F416 WeakPolarHBondContact O-CA 3.49Å; I308-F416 HydrophobicContact CD1-CD1 3.97Å; I308-F416 HydrophobicContact CG1-CD1 4.28Å; I414-F416 HydrophobicContact CB-CD2 4.43Å; I414-F416 HydrophobicContact CB-CE2 3.81Å; I414-F416 HydrophobicContact CB-CZ 4.35Å; I414-F416 HydrophobicContact CG2-CD2 3.98Å; I414-F416 HydrophobicContact CG2-CE1 4.37Å; I414-F416 HydrophobicContact CG2-CE2 3.47Å; I414-F416 VanDerWaalsContact CG2-CE2 3.47Å; I414-F416 HydrophobicContact CG2-CZ 3.67Å
417	I	92.3	Very high	91.5	Very high	44 Å²	44	37 Å²	37	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.4	173.7	-57.6	-179.5	0	0	0	108.1	V305 I306 T307 I308 L332 Q415 R419	V305-I417 HydrophobicContact CG1-CD1 3.72Å; V305-I417 HydrophobicContact CG1-CG1 4.14Å; I306-I417 PolarHBondContact O-N 3.16Å; T307-I417 CarbonylContact C-O 3.57Å; T307-I417 VanDerWaalsContact CA-O 3.23Å; T307-I417 WeakPolarHBondContact CA-O 3.27Å; I308-I417 PolarHBondContact N-O 3.08Å; L332-I417 HydrophobicContact CD1-CD1 4.01Å; Q415-I417 HydrophobicContact CG-CG1 4.37Å; I417-R419 HydrophobicContact CG2-CG 4.2Å
418	I	93.5	Very high	92	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.8	177.6	-55.1	175.9	0	0	0	108.3	V48 V50 S87 I240 I308 I310	V48-I418 HydrophobicContact CG1-CB 4.33Å; V48-I418 HydrophobicContact CG1-CD1 3.76Å; V48-I418 HydrophobicContact CG1-CG2 3.97Å; V48-I418 HydrophobicContact CG2-CG2 4.16Å; V50-I418 HydrophobicContact CG2-CD1 3.21Å; S87-I418 WeakPolarHBondContact O-CA 3.4Å; S87-I418 WeakPolarHBondContact O-CB 3.41Å; S87-I418 PolarHBondContact O-N 3.1Å; S87-I418 PolarHBondContact OG-O 3.36Å; I240-I418 HydrophobicContact CD1-CD1 4.17Å; I240-I418 HydrophobicContact CG1-CD1 4.47Å; I240-I418 HydrophobicContact CG2-CD1 4.36Å; I308-I418 HydrophobicContact CB-CG1 4.34Å; I308-I418 CarbonylContact O-C 3.52Å; I308-I418 WeakPolarHBondContact O-CA 3.45Å; I310-I418 HydrophobicContact CD1-CG2 4.11Å; I310-I418 HydrophobicContact CG1-CG2 4.38Å
419	R	94	Very high	92.5	Very high	108 Å²	108	41.7 Å²	41.7	41%	0.408	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.6	176.5	-68.2	-174.7	177.3	129.1	-1.6	109.4	T307 I308 T309 I310 I417	T307-R419 HydrophobicContact CG2-CB 4.37Å; T307-R419 HydrophobicContact CG2-CG 4.04Å; T307-R419 PolarHBondContact OG1-NH1 2.85Å; I308-R419 PolarHBondContact O-N 3.22Å; T309-R419 CarbonylContact C-O 3.44Å; T309-R419 VanDerWaalsContact CA-O 3.3Å; T309-R419 WeakPolarHBondContact CA-O 3.31Å; I310-R419 PolarHBondContact N-O 3.37Å; I417-R419 HydrophobicContact CG2-CG 4.2Å
420	V	94.9	Very high	93	Very high	22 Å²	22	45.3 Å²	45.3	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.1	176.8	-174.8	0	0	0	0	107.7	S46 V48 N242 I244 I310	S46-V420 WeakPolarHBondContact OG-CB 3.04Å; V48-V420 HydrophobicContact CG2-CG2 3.53Å; N242-V420 WeakPolarHBondContact ND2-CG2 3.42Å; I244-V420 HydrophobicContact CG2-CG1 3.75Å; I310-V420 HydrophobicContact CB-CG2 4.44Å; I310-V420 HydrophobicContact CD1-CG2 4.39Å; I310-V420 WeakPolarHBondContact O-CA 3.47Å
421	N	95.1	Very high	93.3	Very high	90 Å²	90	46 Å²	46	48%	0.481	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.7	178	-68.6	1.1	0	0	0	108.7	I310 Q311 W312	I310-N421 PolarHBondContact O-N 3.2Å; Q311-N421 CarbonylContact C-O 3.6Å; Q311-N421 WeakPolarHBondContact CA-O 3.26Å; W312-N421 PolarHBondContact N-O 2.8Å
422	G	93.7	Very high	93.7	Very high	10 Å²	10	48.9 Å²	48.9	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	163.3	172.3	0	0	0	0	0	114	H43 P44 W312	H43-G422 PolarHBondContact ND1-O 3.03Å; H43-G422 VanDerWaalsContact ND1-O 3.16Å; P44-G422 WeakPolarHBondContact CD-O 3.42Å; W312-G422 CarbonylContact O-C 3.58Å; W312-G422 WeakPolarHBondContact O-CA 3.38Å
423	I	95.6	Very high	94	Very high	81 Å²	81	51.8 Å²	51.8	42%	0.415	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	122.4	175.7	-59.6	176.9	0	0	0	106.5	F41 W312 C314	F41-I423 HydrophobicContact CB-CG2 4.12Å; F41-I423 HydrophobicContact CD1-CG2 3.48Å; F41-I423 VanDerWaalsContact CD1-CG2 3.48Å; F41-I423 HydrophobicContact CE1-CG2 4.21Å; F41-I423 HydrophobicContact CG-CG2 4.06Å; W312-I423 PolarHBondContact O-N 3.46Å; C314-I423 PolarHBondContact N-O 3.45Å
424	A	96.1	Very high	94.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.8	167.8	0	0	0	0	0	109.7	F41 D42 F246 F249 C314 L316	F41-A424 CarbonylContact C-O 3.56Å; F41-A424 WeakPolarHBondContact CA-O 3.38Å; D42-A424 PolarHBondContact N-O 3.35Å; D42-A424 PolarHBondContact O-N 3.41Å; F246-A424 HydrophobicContact CB-CB 4.38Å; F246-A424 HydrophobicContact CD1-CB 3.38Å; F246-A424 HydrophobicContact CD2-CB 3.78Å; F246-A424 HydrophobicContact CE1-CB 3.36Å; F246-A424 HydrophobicContact CE2-CB 3.78Å; F246-A424 HydrophobicContact CG-CB 3.58Å; F246-A424 HydrophobicContact CZ-CB 3.58Å; F249-A424 HydrophobicContact CD2-CB 4.04Å; F249-A424 HydrophobicContact CE2-CB 3.93Å; C314-A424 HydrophobicContact CB-CB 4.45Å; C314-A424 CarbonylContact O-C 3.55Å; C314-A424 VanDerWaalsContact O-CA 3.29Å; C314-A424 WeakPolarHBondContact O-CA 3.34Å; L316-A424 HydrophobicContact CD1-CB 3.76Å; L316-A424 HydrophobicContact CG-CB 4.14Å
425	G	95.9	Very high	94.4	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.3	173.4	0	0	0	0	0	111.2	T40 C314 L316	T40-G425 WeakPolarHBondContact O-CA 3.22Å; C314-G425 PolarHBondContact O-N 3.39Å; L316-G425 WeakPolarHBondContact CB-O 3.45Å; L316-G425 PolarHBondContact N-O 3.23Å
426	K	95.8	Very high	94.5	Very high	97 Å²	97	63.8 Å²	63.8	42%	0.422	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140	172.3	-166.6	175.8	178.4	179.1	0	110.4	Q39 T40 F249 L316 N428	Q39-K426 CarbonylContact C-O 3.6Å; Q39-K426 VanDerWaalsContact CA-O 3.25Å; Q39-K426 WeakPolarHBondContact CA-O 3.28Å; T40-K426 PolarHBondContact N-O 2.85Å; T40-K426 PolarHBondContact O-N 3.34Å; T40-K426 PolarHBondContact OG1-O 2.77Å; F249-K426 HydrophobicContact CD1-CB 4.12Å; F249-K426 HydrophobicContact CD1-CD 4.08Å; F249-K426 HydrophobicContact CE1-CB 3.62Å; F249-K426 HydrophobicContact CE1-CD 4.33Å; F249-K426 HydrophobicContact CZ-CB 3.85Å; L316-K426 HydrophobicContact CB-CB 4Å; L316-K426 HydrophobicContact CB-CD 4.41Å; L316-K426 HydrophobicContact CB-CG 4.16Å; L316-K426 HydrophobicContact CD1-CB 4.41Å; K426-N428 PolarHBondContact O-N 3.08Å
427	F	95.5	Very high	94.7	Very high	105 Å²	105	65.5 Å²	65.5	46%	0.461	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	128.1	175.6	175.8	-92	0	0	0	110.2	Y38 D317 L429 F432	Y38-F427 AromaticContact CD2-CD2 3.78Å; Y38-F427 HydrophobicContact CD2-CD2 3.78Å; Y38-F427 HydrophobicContact CG-CD2 4.48Å; D317-F427 WeakPolarHBondContact OD1-CB 3.39Å; D317-F427 PolarHBondContact OD1-N 3.08Å; F427-L429 HydrophobicContact CE1-CB 4.41Å; F427-L429 HydrophobicContact CZ-CD1 4.44Å; F427-F432 HydrophobicContact CE2-CB 4.23Å; F427-F432 HydrophobicContact CE2-CG 4.44Å; F427-F432 HydrophobicContact CZ-CB 4.48Å
428	N	95.5	Very high	94.8	Very high	58 Å²	58	66 Å²	66	31%	0.31	34%	0.341	S	S	.	.			trans	-136.1	121.7	175.2	-175.1	-19.1	0	0	0	108.9	Y38 T40 K426 L430 S431 F432	Y38-N428 PolarHBondContact O-N 3.39Å; Y38-N428 VanDerWaalsContact O-N 3.16Å; T40-N428 HydrophobicContact CG2-CB 3.68Å; T40-N428 WeakPolarHBondContact CG2-ND2 2.97Å; T40-N428 WeakPolarHBondContact OG1-CB 3.38Å; K426-N428 PolarHBondContact O-N 3.08Å; N428-L430 PolarHBondContact O-N 2.85Å; N428-L430 WeakPolarHBondContact OD1-CB 3.03Å; N428-L430 PolarHBondContact OD1-N 3.32Å; N428-S431 PolarHBondContact O-N 2.68Å; N428-S431 VanDerWaalsContact O-N 3.13Å; N428-F432 PolarHBondContact O-N 3.39Å
429	L	94.6	Very high	94.7	Very high	109 Å²	109	66.2 Å²	66.2	57%	0.571	34%	0.343	S	S	*	.	H	α-helix	trans	-56.7	-36.9	-178.6	-175.5	62.8	0	0	0	112.1	F427 F432 T433	F427-L429 HydrophobicContact CE1-CB 4.41Å; F427-L429 HydrophobicContact CZ-CD1 4.44Å; L429-F432 HydrophobicContact CD1-CD1 4.25Å; L429-F432 PolarHBondContact O-N 3.21Å; L429-T433 HydrophobicContact CD1-CG2 4.14Å; L429-T433 HydrophobicContact CG-CG2 4.29Å; L429-T433 WeakPolarHBondContact O-CG2 3.45Å; L429-T433 PolarHBondContact O-N 3.17Å; L429-T433 PolarHBondContact O-OG1 2.89Å; L429-T433 VanDerWaalsContact O-OG1 3.12Å
430	L	93.9	Very high	94.7	Very high	125 Å²	125	65.6 Å²	65.6	65%	0.654	35%	0.347	S	S	*	.	H	α-helix	trans	-65.2	-42	179.7	-176.9	66.6	0	0	0	112.2	N428 T433 M434	N428-L430 PolarHBondContact O-N 2.85Å; N428-L430 WeakPolarHBondContact OD1-CB 3.03Å; N428-L430 PolarHBondContact OD1-N 3.32Å; L430-T433 PolarHBondContact O-OG1 2.75Å; L430-T433 VanDerWaalsContact O-OG1 3.09Å; L430-M434 WeakPolarHBondContact O-CB 3.47Å; L430-M434 PolarHBondContact O-N 3.09Å
431	S	92.9	Very high	94.6	Very high	30 Å²	30	67.4 Å²	67.4	21%	0.21	36%	0.364	C	S	.	.	H	α-helix	trans	-68	-42	177	-70.6	0	0	0	0	111	T40 N428 K435	T40-S431 WeakPolarHBondContact CG2-OG 3.37Å; N428-S431 PolarHBondContact O-N 2.68Å; N428-S431 VanDerWaalsContact O-N 3.13Å; S431-K435 WeakPolarHBondContact O-CB 3.45Å; S431-K435 WeakPolarHBondContact O-CG 3.22Å; S431-K435 PolarHBondContact O-N 2.02Å
432	F	94.6	Very high	94.6	Very high	65 Å²	65	66 Å²	66	29%	0.285	36%	0.357	S	S	.	.	H	α-helix	trans	-56.7	-52	173.1	172.3	-93.6	0	0	0	112	M32 F427 N428 L429 M434 K435 F436	M32-F432 HydrophobicContact CE-CD2 3.33Å; M32-F432 HydrophobicContact CE-CE2 3.31Å; M32-F432 HydrophobicContact CE-CZ 4.49Å; F427-F432 HydrophobicContact CE2-CB 4.23Å; F427-F432 HydrophobicContact CE2-CG 4.44Å; F427-F432 HydrophobicContact CZ-CB 4.48Å; N428-F432 PolarHBondContact O-N 3.39Å; L429-F432 HydrophobicContact CD1-CD1 4.25Å; L429-F432 PolarHBondContact O-N 3.21Å; F432-M434 PolarHBondContact O-N 2.91Å; F432-K435 PolarHBondContact O-N 2.83Å; F432-F436 HydrophobicContact CE1-CB 4.43Å; F432-F436 HydrophobicContact CZ-CB 4.49Å; F432-F436 HydrophobicContact CZ-CD2 4.37Å; F432-F436 HydrophobicContact CZ-CG 4.45Å; F432-F436 WeakPolarHBondContact O-CB 3.39Å; F432-F436 PolarHBondContact O-N 3.36Å
433	T	96	Very high	94.5	Very high	68 Å²	68	67.7 Å²	67.7	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-38.7	-176.3	54.7	0	0	0	0	112.4	L429 L430 F436 G437	L429-T433 HydrophobicContact CD1-CG2 4.14Å; L429-T433 HydrophobicContact CG-CG2 4.29Å; L429-T433 WeakPolarHBondContact O-CG2 3.45Å; L429-T433 PolarHBondContact O-N 3.17Å; L429-T433 PolarHBondContact O-OG1 2.89Å; L429-T433 VanDerWaalsContact O-OG1 3.12Å; L430-T433 PolarHBondContact O-OG1 2.75Å; L430-T433 VanDerWaalsContact O-OG1 3.09Å; T433-F436 PolarHBondContact O-N 3.48Å; T433-G437 PolarHBondContact O-N 2.74Å
434	M	94.9	Very high	94.4	Very high	141 Å²	141	66.9 Å²	66.9	70%	0.695	37%	0.365	S	S	*	.	H	α-helix	trans	-62.4	-48	175.7	-174.3	-174	-178.6	0	0	111.4	L430 F432 G437 S438	L430-M434 WeakPolarHBondContact O-CB 3.47Å; L430-M434 PolarHBondContact O-N 3.09Å; F432-M434 PolarHBondContact O-N 2.91Å; M434-G437 PolarHBondContact O-N 3.37Å; M434-S438 PolarHBondContact O-N 3.24Å
435	K	94	Very high	94.2	Very high	91 Å²	91	70.4 Å²	70.4	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-67.9	-41.8	178.4	-65.9	-61	-177.4	-178.5	0	111.5	F27 M32 G37 S431 F432 G437 S438 G439	F27-K435 WeakPolarHBondContact CE2-O 3.46Å; F27-K435 VanDerWaalsContact CZ-O 3.29Å; F27-K435 WeakPolarHBondContact CZ-O 3.26Å; M32-K435 HydrophobicContact SD-CB 4.47Å; G37-K435 WeakPolarHBondContact O-CG 3.23Å; S431-K435 WeakPolarHBondContact O-CB 3.45Å; S431-K435 WeakPolarHBondContact O-CG 3.22Å; S431-K435 PolarHBondContact O-N 2.02Å; F432-K435 PolarHBondContact O-N 2.83Å; K435-G437 VanDerWaalsContact C-N 3.34Å; K435-G437 PolarHBondContact O-N 3.37Å; K435-S438 WeakPolarHBondContact CA-OG 3.29Å; K435-S438 PolarHBondContact O-N 2.96Å; K435-S438 PolarHBondContact O-OG 2.87Å; K435-G439 PolarHBondContact O-N 3.03Å
436	F	93.9	Very high	94.1	Very high	91 Å²	91	70.3 Å²	70.3	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-59	-44.5	174.6	-174.2	-105.5	0	0	0	112	F27 F432 T433 S438 G439 L440	F27-F436 HydrophobicContact CE1-CD2 4.28Å; F432-F436 HydrophobicContact CE1-CB 4.43Å; F432-F436 HydrophobicContact CZ-CB 4.49Å; F432-F436 HydrophobicContact CZ-CD2 4.37Å; F432-F436 HydrophobicContact CZ-CG 4.45Å; F432-F436 WeakPolarHBondContact O-CB 3.39Å; F432-F436 PolarHBondContact O-N 3.36Å; T433-F436 PolarHBondContact O-N 3.48Å; F436-S438 PolarHBondContact O-N 2.89Å; F436-G439 PolarHBondContact O-N 3.26Å; F436-G439 VanDerWaalsContact O-N 3.15Å; F436-L440 HydrophobicContact CD1-CD1 4Å; F436-L440 HydrophobicContact CD1-CG 4.45Å; F436-L440 HydrophobicContact CE1-CD1 3.52Å; F436-L440 HydrophobicContact CE1-CG 4.1Å; F436-L440 HydrophobicContact CZ-CD1 4.04Å; F436-L440 HydrophobicContact CZ-CD2 4.34Å; F436-L440 HydrophobicContact CZ-CG 4.23Å; F436-L440 PolarHBondContact O-N 2.8Å
437	G	95	Very high	93.9	Very high	37 Å²	37	68.8 Å²	68.8	38%	0.381	38%	0.381	S	S	.	.	H	α-helix	trans	-58.3	-45.1	173.2	0	0	0	0	0	112.5	T433 M434 K435 G439 L440 A441	T433-G437 PolarHBondContact O-N 2.74Å; M434-G437 PolarHBondContact O-N 3.37Å; K435-G437 VanDerWaalsContact C-N 3.34Å; K435-G437 PolarHBondContact O-N 3.37Å; G437-G439 VanDerWaalsContact C-N 3.34Å; G437-G439 PolarHBondContact O-N 2.91Å; G437-L440 PolarHBondContact O-N 3.07Å; G437-A441 PolarHBondContact O-N 3.47Å
438	S	94.5	Very high	93.7	Very high	56 Å²	56	68.9 Å²	68.9	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-36.4	174.6	72.3	0	0	0	0	113	M434 K435 F436 A441 L442	M434-S438 PolarHBondContact O-N 3.24Å; K435-S438 WeakPolarHBondContact CA-OG 3.29Å; K435-S438 PolarHBondContact O-N 2.96Å; K435-S438 PolarHBondContact O-OG 2.87Å; F436-S438 PolarHBondContact O-N 2.89Å; S438-A441 PolarHBondContact O-N 2.94Å; S438-L442 WeakPolarHBondContact O-CG 3.44Å; S438-L442 PolarHBondContact O-N 2.77Å
439	G	92.9	Very high	93.5	Very high	5 Å²	5	69.3 Å²	69.3	5%	0.052	39%	0.387	C	S	.	.	H	α-helix	trans	-64.5	-42.6	175.2	0	0	0	0	0	112.8	F27 K435 F436 G437 A441 L442	F27-G439 VanDerWaalsContact CD2-CA 3.46Å; F27-G439 VanDerWaalsContact CE2-CA 3.47Å; K435-G439 PolarHBondContact O-N 3.03Å; F436-G439 PolarHBondContact O-N 3.26Å; F436-G439 VanDerWaalsContact O-N 3.15Å; G437-G439 VanDerWaalsContact C-N 3.34Å; G437-G439 PolarHBondContact O-N 2.91Å; G439-A441 VanDerWaalsContact C-N 3.34Å; G439-L442 WeakPolarHBondContact O-CB 3.4Å; G439-L442 PolarHBondContact O-N 2.86Å
440	L	92.4	Very high	93.3	Very high	94 Å²	94	64.7 Å²	64.7	49%	0.492	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-38.9	173.4	-71.6	178.2	0	0	0	111.9	F436 G437 L442 L443	F436-L440 HydrophobicContact CD1-CD1 4Å; F436-L440 HydrophobicContact CD1-CG 4.45Å; F436-L440 HydrophobicContact CE1-CD1 3.52Å; F436-L440 HydrophobicContact CE1-CG 4.1Å; F436-L440 HydrophobicContact CZ-CD1 4.04Å; F436-L440 HydrophobicContact CZ-CD2 4.34Å; F436-L440 HydrophobicContact CZ-CG 4.23Å; F436-L440 PolarHBondContact O-N 2.8Å; G437-L440 PolarHBondContact O-N 3.07Å; L440-L442 VanDerWaalsContact C-N 3.32Å; L440-L442 PolarHBondContact O-N 3.14Å; L440-L443 HydrophobicContact CD2-CD1 4.07Å; L440-L443 WeakPolarHBondContact O-CB 3.27Å; L440-L443 PolarHBondContact O-N 3.02Å
441	A	94.7	Very high	93	Very high	60 Å²	60	62 Å²	62	50%	0.496	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-38.3	175.4	0	0	0	0	0	112	G437 S438 G439 L443 S444	G437-A441 PolarHBondContact O-N 3.47Å; S438-A441 PolarHBondContact O-N 2.94Å; G439-A441 VanDerWaalsContact C-N 3.34Å; A441-L443 PolarHBondContact O-N 3.38Å; A441-S444 VanDerWaalsContact O-CB 3.32Å; A441-S444 WeakPolarHBondContact O-CB 3.41Å; A441-S444 PolarHBondContact O-N 3.44Å; A441-S444 VanDerWaalsContact O-N 3.09Å; A441-S444 PolarHBondContact O-OG 3.13Å
442	L	93.2	Very high	92.8	Very high	61 Å²	61	64.8 Å²	64.8	32%	0.319	36%	0.361	S	S	.	.	H	α-helix	trans	-60.8	-27.9	176.6	-74.2	168.7	0	0	0	113.2	I23 S438 G439 L440 S444 I445	I23-L442 HydrophobicContact CG2-CB 3.9Å; S438-L442 WeakPolarHBondContact O-CG 3.44Å; S438-L442 PolarHBondContact O-N 2.77Å; G439-L442 WeakPolarHBondContact O-CB 3.4Å; G439-L442 PolarHBondContact O-N 2.86Å; L440-L442 VanDerWaalsContact C-N 3.32Å; L440-L442 PolarHBondContact O-N 3.14Å; L442-S444 PolarHBondContact O-N 3.47Å; L442-I445 HydrophobicContact CD2-CD1 3.66Å; L442-I445 WeakPolarHBondContact O-CB 3.48Å; L442-I445 PolarHBondContact O-N 3.46Å
443	L	93.5	Very high	92.6	Very high	46 Å²	46	63.7 Å²	63.7	24%	0.241	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.8	176.7	-64.2	173.3	0	0	0	112.9	I23 L440 A441 I445 S446	I23-L443 HydrophobicContact CB-CD2 4.26Å; I23-L443 HydrophobicContact CG2-CD2 3.94Å; L440-L443 HydrophobicContact CD2-CD1 4.07Å; L440-L443 WeakPolarHBondContact O-CB 3.27Å; L440-L443 PolarHBondContact O-N 3.02Å; A441-L443 PolarHBondContact O-N 3.38Å; L443-I445 PolarHBondContact O-N 2.99Å; L443-S446 VanDerWaalsContact O-CB 3.32Å; L443-S446 WeakPolarHBondContact O-CB 3.49Å; L443-S446 PolarHBondContact O-N 3.2Å
444	S	91.9	Very high	92.2	Very high	64 Å²	64	60.6 Å²	60.6	45%	0.448	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.3	174.5	70.4	0	0	0	0	113.1	A441 L442 S446 T447	A441-S444 VanDerWaalsContact O-CB 3.32Å; A441-S444 WeakPolarHBondContact O-CB 3.41Å; A441-S444 PolarHBondContact O-N 3.44Å; A441-S444 VanDerWaalsContact O-N 3.09Å; A441-S444 PolarHBondContact O-OG 3.13Å; L442-S444 PolarHBondContact O-N 3.47Å; S444-S446 PolarHBondContact O-N 3.35Å; S444-T447 PolarHBondContact O-N 3.05Å; S444-T447 VanDerWaalsContact O-N 3.08Å; S444-T447 PolarHBondContact O-OG1 3.06Å
445	I	92.9	Very high	91.6	Very high	73 Å²	73	55.7 Å²	55.7	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-29.2	175.8	-64.2	172.4	0	0	0	110.5	L442 L443 T447 I448 I449	L442-I445 HydrophobicContact CD2-CD1 3.66Å; L442-I445 WeakPolarHBondContact O-CB 3.48Å; L442-I445 PolarHBondContact O-N 3.46Å; L443-I445 PolarHBondContact O-N 2.99Å; I445-T447 VanDerWaalsContact C-N 3.31Å; I445-T447 PolarHBondContact O-N 3.44Å; I445-I448 PolarHBondContact O-N 3.5Å; I445-I449 HydrophobicContact CG2-CD1 3.66Å; I445-I449 HydrophobicContact CG2-CG1 4.07Å; I445-I449 WeakPolarHBondContact O-CG1 3.47Å; I445-I449 PolarHBondContact O-N 2.88Å
446	S	92.4	Very high	91.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-39.8	175.5	-173.8	0	0	0	0	112.3	H16 L443 S444 I449 T450	H16-S446 PolarHBondContact CE1-OG 2.99Å; H16-S446 PolarHBondContact ND1-OG 3.32Å; H16-S446 VanDerWaalsContact ND1-OG 3.16Å; H16-S446 PolarHBondContact O-OG 3.09Å; L443-S446 VanDerWaalsContact O-CB 3.32Å; L443-S446 WeakPolarHBondContact O-CB 3.49Å; L443-S446 PolarHBondContact O-N 3.2Å; S444-S446 PolarHBondContact O-N 3.35Å; S446-I449 PolarHBondContact O-N 2.83Å; S446-T450 WeakPolarHBondContact O-CB 3.44Å; S446-T450 WeakPolarHBondContact O-CG2 3.2Å; S446-T450 PolarHBondContact O-N 2.62Å; S446-T450 PolarHBondContact O-OG1 3.38Å
447	T	91.6	Very high	90.8	Very high	65 Å²	65	62.2 Å²	62.2	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-43.7	178.8	60.8	0	0	0	0	110.9	S444 I445 I449 T450 D451	S444-T447 PolarHBondContact O-N 3.05Å; S444-T447 VanDerWaalsContact O-N 3.08Å; S444-T447 PolarHBondContact O-OG1 3.06Å; I445-T447 VanDerWaalsContact C-N 3.31Å; I445-T447 PolarHBondContact O-N 3.44Å; T447-I449 PolarHBondContact O-N 2.9Å; T447-T450 WeakPolarHBondContact CA-OG1 3.36Å; T447-T450 PolarHBondContact O-N 2.91Å; T447-T450 PolarHBondContact O-OG1 3.09Å; T447-D451 WeakPolarHBondContact O-CB 3.47Å; T447-D451 PolarHBondContact O-N 2.02Å
448	I	91.6	Very high	90.2	Very high	108 Å²	108	61.9 Å²	61.9	55%	0.554	33%	0.33	S	S	*	.	H	α-helix	trans	-59.8	-46.9	178	-59.5	173.7	0	0	0	110.8	I445 D451 L452	I445-I448 PolarHBondContact O-N 3.5Å; I448-D451 PolarHBondContact O-N 3.32Å; I448-L452 WeakPolarHBondContact O-CB 3.43Å; I448-L452 PolarHBondContact O-N 3.11Å
449	I	91.9	Very high	89.5	Confident	67 Å²	67	69.9 Å²	69.9	34%	0.344	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-44.1	178.6	-66.9	172.5	0	0	0	110.5	I19 I445 S446 T447 D451 L452 I453	I19-I449 HydrophobicContact CD1-CB 4.32Å; I19-I449 HydrophobicContact CD1-CG2 3.67Å; I19-I449 HydrophobicContact CG2-CD1 4.32Å; I445-I449 HydrophobicContact CG2-CD1 3.66Å; I445-I449 HydrophobicContact CG2-CG1 4.07Å; I445-I449 WeakPolarHBondContact O-CG1 3.47Å; I445-I449 PolarHBondContact O-N 2.88Å; S446-I449 PolarHBondContact O-N 2.83Å; T447-I449 PolarHBondContact O-N 2.9Å; I449-D451 VanDerWaalsContact C-N 3.34Å; I449-D451 PolarHBondContact O-N 3.35Å; I449-L452 PolarHBondContact O-N 2.88Å; I449-I453 HydrophobicContact CG2-CD1 3.69Å; I449-I453 HydrophobicContact CG2-CG1 4.45Å; I449-I453 WeakPolarHBondContact O-CB 3.4Å; I449-I453 VanDerWaalsContact O-CG1 3.28Å; I449-I453 WeakPolarHBondContact O-CG1 3.38Å; I449-I453 PolarHBondContact O-N 3.08Å
450	T	90.3	Very high	88.8	Confident	11 Å²	11	72.7 Å²	72.7	7%	0.067	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-33.7	179.2	51.2	0	0	0	0	113.2	H16 I19 S446 T447 I453 L454	H16-T450 HydrophobicContact CB-CG2 3.74Å; H16-T450 WeakPolarHBondContact ND1-CG2 3.15Å; H16-T450 PolarHBondContact ND1-OG1 3.23Å; I19-T450 HydrophobicContact CD1-CG2 3.94Å; S446-T450 WeakPolarHBondContact O-CB 3.44Å; S446-T450 WeakPolarHBondContact O-CG2 3.2Å; S446-T450 PolarHBondContact O-N 2.62Å; S446-T450 PolarHBondContact O-OG1 3.38Å; T447-T450 WeakPolarHBondContact CA-OG1 3.36Å; T447-T450 PolarHBondContact O-N 2.91Å; T447-T450 PolarHBondContact O-OG1 3.09Å; T450-I453 PolarHBondContact O-N 2.83Å; T450-L454 VanDerWaalsContact O-CB 3.28Å; T450-L454 WeakPolarHBondContact O-CB 3.36Å; T450-L454 PolarHBondContact O-N 3.11Å
451	D	88.7	Confident	88.3	Confident	70 Å²	70	74.1 Å²	74.1	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-68.8	-41.3	175	-72.4	-12.8	0	0	0	110.9	T447 I448 I449 I453 L454 F455	T447-D451 WeakPolarHBondContact O-CB 3.47Å; T447-D451 PolarHBondContact O-N 2.02Å; I448-D451 PolarHBondContact O-N 3.32Å; I449-D451 VanDerWaalsContact C-N 3.34Å; I449-D451 PolarHBondContact O-N 3.35Å; D451-I453 VanDerWaalsContact C-N 3.34Å; D451-I453 PolarHBondContact O-N 2.8Å; D451-L454 WeakPolarHBondContact O-CB 3.48Å; D451-L454 PolarHBondContact O-N 3.03Å; D451-F455 HydrophobicContact CB-CD2 4.48Å; D451-F455 HydrophobicContact CB-CE2 4.18Å; D451-F455 WeakPolarHBondContact O-CB 3.27Å; D451-F455 WeakPolarHBondContact O-CD2 3.48Å; D451-F455 WeakPolarHBondContact O-CG 3.46Å; D451-F455 PolarHBondContact O-N 3Å
452	L	88.6	Confident	87.6	Confident	87 Å²	87	79.4 Å²	79.4	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-46.7	173	-166	159.6	0	0	0	110.5	I448 I449 L454 F455 Y456 F457	I448-L452 WeakPolarHBondContact O-CB 3.43Å; I448-L452 PolarHBondContact O-N 3.11Å; I449-L452 PolarHBondContact O-N 2.88Å; L452-L454 VanDerWaalsContact C-N 3.32Å; L452-L454 PolarHBondContact O-N 3.2Å; L452-F455 PolarHBondContact O-N 2.99Å; L452-Y456 HydrophobicContact CD2-CD2 3.97Å; L452-Y456 HydrophobicContact CG-CD2 4.01Å; L452-Y456 HydrophobicContact CG-CE2 4.38Å; L452-Y456 WeakPolarHBondContact O-CB 3Å; L452-Y456 WeakPolarHBondContact O-CD2 2.96Å; L452-Y456 PolarHBondContact O-N 3.07Å; L452-F457 HydrophobicContact CD2-CE2 4.42Å
453	I	89	Confident	87.1	Confident	43 Å²	43	83.5 Å²	83.5	22%	0.221	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-40.6	177.5	-69.1	167.4	0	0	0	111.2	L15 I449 T450 D451 F457	L15-I453 HydrophobicContact CD2-CB 4.45Å; L15-I453 HydrophobicContact CD2-CD1 3.79Å; L15-I453 HydrophobicContact CD2-CG2 3.83Å; I449-I453 HydrophobicContact CG2-CD1 3.69Å; I449-I453 HydrophobicContact CG2-CG1 4.45Å; I449-I453 WeakPolarHBondContact O-CB 3.4Å; I449-I453 VanDerWaalsContact O-CG1 3.28Å; I449-I453 WeakPolarHBondContact O-CG1 3.38Å; I449-I453 PolarHBondContact O-N 3.08Å; T450-I453 PolarHBondContact O-N 2.83Å; D451-I453 VanDerWaalsContact C-N 3.34Å; D451-I453 PolarHBondContact O-N 2.8Å; I453-F457 HydrophobicContact CG2-CB 4.41Å; I453-F457 WeakPolarHBondContact O-CB 3.41Å; I453-F457 PolarHBondContact O-N 3.36Å
454	L	87.4	Confident	86.6	Confident	3 Å²	3	82.6 Å²	82.6	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176.5	-173.6	69.2	0	0	0	111.9	I7 L12 T450 D451 L452 T458 Y464 I468	I7-L454 HydrophobicContact CD1-CD1 4.36Å; I7-L454 HydrophobicContact CD1-CD2 3.46Å; I7-L454 VanDerWaalsContact CD1-CD2 3.46Å; L12-L454 HydrophobicContact CD2-CD1 3.91Å; T450-L454 VanDerWaalsContact O-CB 3.28Å; T450-L454 WeakPolarHBondContact O-CB 3.36Å; T450-L454 PolarHBondContact O-N 3.11Å; D451-L454 WeakPolarHBondContact O-CB 3.48Å; D451-L454 PolarHBondContact O-N 3.03Å; L452-L454 VanDerWaalsContact C-N 3.32Å; L452-L454 PolarHBondContact O-N 3.2Å; L454-T458 HydrophobicContact CD1-CG2 4.14Å; L454-T458 PolarHBondContact O-OG1 3.44Å; L454-Y464 HydrophobicContact CD1-CD1 4.08Å; L454-Y464 HydrophobicContact CD1-CD2 3.52Å; L454-Y464 HydrophobicContact CD1-CE1 4.31Å; L454-Y464 HydrophobicContact CD1-CE2 3.77Å; L454-Y464 HydrophobicContact CD1-CG 3.69Å; L454-Y464 HydrophobicContact CD2-CD1 4.33Å; L454-Y464 HydrophobicContact CD2-CG 4.14Å; L454-Y464 HydrophobicContact CG-CD2 4.14Å; L454-Y464 HydrophobicContact CG-CG 3.99Å; L454-I468 HydrophobicContact CD2-CD1 3.55Å
455	F	84	Confident	86.1	Confident	37 Å²	37	82.2 Å²	82.2	16%	0.162	38%	0.376	C	S	.	.	H	α-helix	trans	-76.8	-32.3	-174.9	-66.9	-40.4	0	0	0	114.3	D451 L452 R461 K465 I468	D451-F455 HydrophobicContact CB-CD2 4.48Å; D451-F455 HydrophobicContact CB-CE2 4.18Å; D451-F455 WeakPolarHBondContact O-CB 3.27Å; D451-F455 WeakPolarHBondContact O-CD2 3.48Å; D451-F455 WeakPolarHBondContact O-CG 3.46Å; D451-F455 PolarHBondContact O-N 3Å; L452-F455 PolarHBondContact O-N 2.99Å; F455-R461 WeakPolarHBondContact O-CB 3.47Å; F455-K465 HydrophobicContact CD1-CG 3.66Å; F455-K465 HydrophobicContact CE1-CG 4.03Å; F455-I468 HydrophobicContact CE1-CB 4.46Å; F455-I468 HydrophobicContact CE1-CD1 4Å; F455-I468 HydrophobicContact CZ-CB 4.34Å; F455-I468 HydrophobicContact CZ-CD1 4.15Å; F455-I468 HydrophobicContact CZ-CG2 4.03Å
456	Y	84.7	Confident	85.6	Confident	155 Å²	155	86.6 Å²	86.6	61%	0.608	39%	0.392	S	S	*	.	H	α-helix	trans	-99.4	-40.6	-175.6	-75	-80.3	0	0	0	114	L452	L452-Y456 HydrophobicContact CD2-CD2 3.97Å; L452-Y456 HydrophobicContact CG-CD2 4.01Å; L452-Y456 HydrophobicContact CG-CE2 4.38Å; L452-Y456 WeakPolarHBondContact O-CB 3Å; L452-Y456 WeakPolarHBondContact O-CD2 2.96Å; L452-Y456 PolarHBondContact O-N 3.07Å
457	F	84.6	Confident	85.1	Confident	164 Å²	164	90.8 Å²	90.8	72%	0.719	42%	0.418	S	S	*	.	H	α-helix	trans	-103.2	-16.1	-167.5	-69	-87.8	0	0	0	114.8	L452 I453	L452-F457 HydrophobicContact CD2-CE2 4.42Å; I453-F457 HydrophobicContact CG2-CB 4.41Å; I453-F457 WeakPolarHBondContact O-CB 3.41Å; I453-F457 PolarHBondContact O-N 3.36Å
458	T	82.5	Confident	84.6	Confident	31 Å²	31	90.5 Å²	90.5	19%	0.19	41%	0.413	C	S	.	.			trans	-85.8	135.8	-177.7	74	0	0	0	0	112.8	L454 N460 R461	L454-T458 HydrophobicContact CD1-CG2 4.14Å; L454-T458 PolarHBondContact O-OG1 3.44Å; T458-N460 PolarHBondContact O-N 3Å; T458-N460 VanDerWaalsContact O-N 3.14Å; T458-R461 WeakPolarHBondContact O-CB 3.13Å; T458-R461 PolarHBondContact O-N 3.32Å
459	Y	79.8	Confident	84.1	Confident	224 Å²	224	86.3 Å²	86.3	88%	0.878	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.1	178.2	-175.2	-101.6	0	0	0	113	R461	Y459-R461 VanDerWaalsContact C-N 3.28Å; Y459-R461 PolarHBondContact O-N 2.82Å
460	N	80	Confident	83.4	Confident	63 Å²	63	89.1 Å²	89.1	34%	0.337	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	23.2	-179.9	-70.2	-14	0	0	0	113.7	T458 K462 K463 Y464	T458-N460 PolarHBondContact O-N 3Å; T458-N460 VanDerWaalsContact O-N 3.14Å; N460-K462 PolarHBondContact O-N 3.43Å; N460-K462 VanDerWaalsContact O-N 3.12Å; N460-K463 HydrophobicContact CB-CB 4.42Å; N460-K463 WeakPolarHBondContact O-CB 3.37Å; N460-K463 PolarHBondContact O-N 3.48Å; N460-Y464 HydrophobicContact CB-CD2 4.12Å; N460-Y464 HydrophobicContact CB-CE2 3.79Å; N460-Y464 VanDerWaalsContact O-CD2 3.32Å; N460-Y464 WeakPolarHBondContact O-CD2 3.19Å; N460-Y464 PolarHBondContact O-N 3.21Å; N460-Y464 VanDerWaalsContact O-N 3.17Å
461	R	81.3	Confident	82.7	Confident	125 Å²	125	94.5 Å²	94.5	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-48.7	-40.6	-177.8	61.7	-177.2	-175.9	173.9	2	114.2	F455 T458 Y459 K463 Y464 K465	F455-R461 WeakPolarHBondContact O-CB 3.47Å; T458-R461 WeakPolarHBondContact O-CB 3.13Å; T458-R461 PolarHBondContact O-N 3.32Å; Y459-R461 VanDerWaalsContact C-N 3.28Å; Y459-R461 PolarHBondContact O-N 2.82Å; R461-K463 VanDerWaalsContact C-N 3.34Å; R461-K463 PolarHBondContact O-N 2.88Å; R461-Y464 PolarHBondContact O-N 2.79Å; R461-K465 WeakPolarHBondContact O-CB 3.2Å; R461-K465 WeakPolarHBondContact O-CG 2.96Å; R461-K465 PolarHBondContact O-N 2.77Å
462	K	79.6	Confident	82	Confident	171 Å²	171	100.2 Å²	100.2	74%	0.743	46%	0.459	S	S	*	.	H	α-helix	trans	-62.5	-40.3	179	-68.2	-172.9	179.4	-177.5	0	111.9	N460 K466	N460-K462 PolarHBondContact O-N 3.43Å; N460-K462 VanDerWaalsContact O-N 3.12Å; K462-K466 WeakPolarHBondContact O-CB 3.41Å; K462-K466 PolarHBondContact O-N 2.83Å; K462-K466 VanDerWaalsContact O-N 3.14Å
463	K	83.6	Confident	81.2	Confident	146 Å²	146	99.3 Å²	99.3	64%	0.635	46%	0.457	S	S	*	.	H	α-helix	trans	-66	-43.2	176.9	-177.3	175	-179.9	173.4	0	110.9	N460 R461 V467	N460-K463 HydrophobicContact CB-CB 4.42Å; N460-K463 WeakPolarHBondContact O-CB 3.37Å; N460-K463 PolarHBondContact O-N 3.48Å; R461-K463 VanDerWaalsContact C-N 3.34Å; R461-K463 PolarHBondContact O-N 2.88Å; K463-V467 VanDerWaalsContact O-CG2 3.3Å; K463-V467 WeakPolarHBondContact O-CG2 3.21Å; K463-V467 PolarHBondContact O-N 3.21Å
464	Y	82.8	Confident	80.1	Confident	28 Å²	28	99.4 Å²	99.4	11%	0.11	46%	0.458	C	S	.	.	H	α-helix	trans	-70.7	-42.1	179.2	-67.4	-62.5	0	0	0	112.9	I7 K9 L454 N460 R461 K466 V467 I468	I7-Y464 HydrophobicContact CD1-CD1 3.95Å; I7-Y464 HydrophobicContact CD1-CE1 4.12Å; I7-Y464 HydrophobicContact CG1-CD1 4.43Å; I7-Y464 HydrophobicContact CG1-CE1 4.3Å; I7-Y464 HydrophobicContact CG2-CE1 3.68Å; K9-Y464 VanDerWaalsContact CD-OH 3.25Å; K9-Y464 WeakPolarHBondContact CD-OH 3.28Å; K9-Y464 WeakPolarHBondContact CE-OH 3.31Å; L454-Y464 HydrophobicContact CD1-CD1 4.08Å; L454-Y464 HydrophobicContact CD1-CD2 3.52Å; L454-Y464 HydrophobicContact CD1-CE1 4.31Å; L454-Y464 HydrophobicContact CD1-CE2 3.77Å; L454-Y464 HydrophobicContact CD1-CG 3.69Å; L454-Y464 HydrophobicContact CD2-CD1 4.33Å; L454-Y464 HydrophobicContact CD2-CG 4.14Å; L454-Y464 HydrophobicContact CG-CD2 4.14Å; L454-Y464 HydrophobicContact CG-CG 3.99Å; N460-Y464 HydrophobicContact CB-CD2 4.12Å; N460-Y464 HydrophobicContact CB-CE2 3.79Å; N460-Y464 VanDerWaalsContact O-CD2 3.32Å; N460-Y464 WeakPolarHBondContact O-CD2 3.19Å; N460-Y464 PolarHBondContact O-N 3.21Å; N460-Y464 VanDerWaalsContact O-N 3.17Å; R461-Y464 PolarHBondContact O-N 2.79Å; Y464-K466 VanDerWaalsContact C-N 3.31Å; Y464-K466 PolarHBondContact O-N 2.92Å; Y464-V467 PolarHBondContact O-N 3.32Å; Y464-V467 VanDerWaalsContact O-N 3.15Å; Y464-I468 WeakPolarHBondContact O-CG1 3.34Å; Y464-I468 PolarHBondContact O-N 3.03Å
465	K	81.3	Confident	79.2	Confident	56 Å²	56	104.2 Å²	104.2	24%	0.243	48%	0.483	C	S	.	.	H	α-helix	trans	-56.1	-44.6	173.7	-76.5	-172.2	175.5	-166.4	0	111.6	F455 R461 V467 I468 C469	F455-K465 HydrophobicContact CD1-CG 3.66Å; F455-K465 HydrophobicContact CE1-CG 4.03Å; R461-K465 WeakPolarHBondContact O-CB 3.2Å; R461-K465 WeakPolarHBondContact O-CG 2.96Å; R461-K465 PolarHBondContact O-N 2.77Å; K465-V467 VanDerWaalsContact C-N 3.3Å; K465-V467 PolarHBondContact O-N 2.98Å; K465-I468 PolarHBondContact O-N 3.49Å; K465-C469 VanDerWaalsContact O-CB 3.25Å; K465-C469 WeakPolarHBondContact O-CB 3.44Å; K465-C469 PolarHBondContact O-N 3.35Å
466	K	81.3	Confident	78.6	Confident	164 Å²	164	111.7 Å²	111.7	71%	0.713	51%	0.512	S	S	*	.	H	α-helix	trans	-66.2	-27.7	178.9	-169.8	172.8	-178.1	176.4	0	114.2	K462 Y464	K462-K466 WeakPolarHBondContact O-CB 3.41Å; K462-K466 PolarHBondContact O-N 2.83Å; K462-K466 VanDerWaalsContact O-N 3.14Å; Y464-K466 VanDerWaalsContact C-N 3.31Å; Y464-K466 PolarHBondContact O-N 2.92Å
467	V	83.1	Confident	77.7	Confident	88 Å²	88	108 Å²	108	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-86.6	-31.1	-179.1	174.7	0	0	0	0	112	V5 K463 Y464 K465	V5-V467 HydrophobicContact CG1-CG1 3.69Å; V5-V467 HydrophobicContact CG2-CG1 4.33Å; K463-V467 VanDerWaalsContact O-CG2 3.3Å; K463-V467 WeakPolarHBondContact O-CG2 3.21Å; K463-V467 PolarHBondContact O-N 3.21Å; Y464-V467 PolarHBondContact O-N 3.32Å; Y464-V467 VanDerWaalsContact O-N 3.15Å; K465-V467 VanDerWaalsContact C-N 3.3Å; K465-V467 PolarHBondContact O-N 2.98Å
468	I	81.1	Confident	76.7	Confident	60 Å²	60	104 Å²	104	31%	0.308	50%	0.495	S	S	.	.	H	α-helix	trans	-96.3	-35.5	-173	-61.5	168.1	0	0	0	112.2	V5 I7 L454 F455 Y464 K465	V5-I468 HydrophobicContact CB-CG1 4.32Å; V5-I468 HydrophobicContact CG1-CG1 4.29Å; V5-I468 HydrophobicContact CG2-CG1 4.23Å; I7-I468 HydrophobicContact CD1-CD1 4.13Å; L454-I468 HydrophobicContact CD2-CD1 3.55Å; F455-I468 HydrophobicContact CE1-CB 4.46Å; F455-I468 HydrophobicContact CE1-CD1 4Å; F455-I468 HydrophobicContact CZ-CB 4.34Å; F455-I468 HydrophobicContact CZ-CD1 4.15Å; F455-I468 HydrophobicContact CZ-CG2 4.03Å; Y464-I468 WeakPolarHBondContact O-CG1 3.34Å; Y464-I468 PolarHBondContact O-N 3.03Å; K465-I468 PolarHBondContact O-N 3.49Å
469	C	80.1	Confident	75.2	Confident	19 Å²	19	111.8 Å²	111.8	13%	0.128	54%	0.535	C	S	.	.	S	Bend	trans	-97.1	140.3	-175.1	-59.3	0	0	0	0	111.3	K465 I474	K465-C469 VanDerWaalsContact O-CB 3.25Å; K465-C469 WeakPolarHBondContact O-CB 3.44Å; K465-C469 PolarHBondContact O-N 3.35Å; C469-I474 HydrophobicContact CB-CD1 4.32Å; C469-I474 HydrophobicContact CB-CG1 3.56Å
470	D	78.3	Confident	74.9	Confident	127 Å²	127	106.2 Å²	106.2	68%	0.679	52%	0.518	S	S	*	.			trans	-69.6	156.7	166.7	-72.7	-27.4	0	0	0	109.9	K472 T473 I474	D470-K472 PolarHBondContact O-N 3.01Å; D470-T473 PolarHBondContact N-OG1 2.83Å; D470-T473 WeakPolarHBondContact O-CA 3.31Å; D470-T473 PolarHBondContact O-N 3.33Å; D470-T473 PolarHBondContact O-OG1 3.3Å; D470-T473 VanDerWaalsContact O-OG1 3.14Å; D470-I474 WeakPolarHBondContact O-CG1 3.27Å; D470-I474 PolarHBondContact O-N 3.39Å
471	D	74.6	Confident	74.7	Confident	124 Å²	124	108.5 Å²	108.5	66%	0.663	53%	0.528	S	S	*	.	H	α-helix	trans	-54.3	-32.8	-178.7	-68.3	-30.3	0	0	0	112.8	I474 N475	D471-I474 PolarHBondContact O-N 3.49Å; D471-N475 PolarHBondContact O-N 2.97Å; D471-N475 VanDerWaalsContact O-N 3.17Å
472	K	73.5	Confident	74.3	Confident	190 Å²	190	107.6 Å²	107.6	83%	0.826	53%	0.531	S	S	*	.	H	α-helix	trans	-63.3	-40.7	173.8	-68.5	-174.6	-179.8	179.9	0	112.8	D470	D470-K472 PolarHBondContact O-N 3.01Å
473	T	71.6	Confident	74	Confident	67 Å²	67	103.8 Å²	103.8	41%	0.411	52%	0.518	S	S	.	.	H	α-helix	trans	-77.4	-32.6	178.9	-3.7	0	0	0	0	111.6	D470 Y476 L477	D470-T473 PolarHBondContact N-OG1 2.83Å; D470-T473 WeakPolarHBondContact O-CA 3.31Å; D470-T473 PolarHBondContact O-N 3.33Å; D470-T473 PolarHBondContact O-OG1 3.3Å; D470-T473 VanDerWaalsContact O-OG1 3.14Å; T473-Y476 PolarHBondContact O-N 3.06Å; T473-L477 WeakPolarHBondContact O-CG 3.27Å; T473-L477 PolarHBondContact O-N 3.22Å
474	I	66.8	Low	73.4	Confident	46 Å²	46	101.2 Å²	101.2	24%	0.236	51%	0.511	C	S	.	.	H	α-helix	trans	-60.9	-45.2	175.2	-66.4	173.8	0	0	0	110.5	C469 D470 D471 Y476 L477 S478	C469-I474 HydrophobicContact CB-CD1 4.32Å; C469-I474 HydrophobicContact CB-CG1 3.56Å; D470-I474 WeakPolarHBondContact O-CG1 3.27Å; D470-I474 PolarHBondContact O-N 3.39Å; D471-I474 PolarHBondContact O-N 3.49Å; I474-Y476 VanDerWaalsContact C-N 3.26Å; I474-Y476 PolarHBondContact O-N 3.44Å; I474-L477 PolarHBondContact O-N 3.02Å; I474-S478 WeakPolarHBondContact O-CB 3.21Å; I474-S478 PolarHBondContact O-N 3.33Å; I474-S478 PolarHBondContact O-OG 3.01Å
475	N	69.1	Low	72.8	Confident	104 Å²	104	106.1 Å²	106.1	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-64.1	-29.9	178.3	-73.4	-12.4	0	0	0	113.1	D471 S478	D471-N475 PolarHBondContact O-N 2.97Å; D471-N475 VanDerWaalsContact O-N 3.17Å; N475-S478 WeakPolarHBondContact CA-OG 3.36Å; N475-S478 PolarHBondContact O-OG 2.91Å
476	Y	71.2	Confident	72.1	Confident	194 Å²	194	109.6 Å²	109.6	76%	0.761	56%	0.559	S	S	*	*	H	α-helix	trans	-78.1	-31.3	176.4	-159.3	-90.2	0	0	0	112.8	T473 I474	T473-Y476 PolarHBondContact O-N 3.06Å; I474-Y476 VanDerWaalsContact C-N 3.26Å; I474-Y476 PolarHBondContact O-N 3.44Å
477	L	66	Low	71.4	Confident	76 Å²	76	105.5 Å²	105.5	40%	0.398	55%	0.547	S	S	.	.	H	α-helix	trans	-89.9	-5.4	178.3	-69.1	172.3	0	0	0	113.9	T473 I474	T473-L477 WeakPolarHBondContact O-CG 3.27Å; T473-L477 PolarHBondContact O-N 3.22Å; I474-L477 PolarHBondContact O-N 3.02Å
478	S	63.8	Low	70.5	Confident	81 Å²	81	106.9 Å²	106.9	57%	0.566	55%	0.548	S	S	*	.	H	α-helix	trans	-98.7	-17	177.2	64.8	0	0	0	0	113.9	I474 N475	I474-S478 WeakPolarHBondContact O-CB 3.21Å; I474-S478 PolarHBondContact O-N 3.33Å; I474-S478 PolarHBondContact O-OG 3.01Å; N475-S478 WeakPolarHBondContact CA-OG 3.36Å; N475-S478 PolarHBondContact O-OG 2.91Å
479	N	49.5	Very low	69.5	Low	195 Å²	195	111.2 Å²	111.2	100%	1.043	57%	0.57	S	S	*	*			trans	-84.5	0	162	-71	-8.3	0	0	0	109.2

Retrieved 479 of 479 residues in 81 ms (Link to these results)

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