A0AA82N7U8_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7U8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	56.4	Low	220 Å²	220	133.7 Å²	133.7	100%	1.084	64%	0.64	S	S	*	*				0	111.6	0	-81.1	171.1	169.6	0	0	108.4	Y3	M1-Y3 PolarHBondContact O-N 2.72Å
2	R	42.3	Very low	57.3	Low	240 Å²	240	127.8 Å²	127.8	91%	0.906	61%	0.614	S	S	*	*			trans	-73.3	105.7	167.3	-77.2	-178.8	173.4	178.7	-2.2	106.5	N4	R2-N4 PolarHBondContact O-N 2.85Å
3	Y	49.7	Very low	57.8	Low	198 Å²	198	122.8 Å²	122.8	78%	0.776	59%	0.592	S	S	*	*			trans	-69.2	97.9	171.9	-101.4	-91.7	0	0	0	107.8	M1 F5	M1-Y3 PolarHBondContact O-N 2.72Å; Y3-F5 PolarHBondContact O-N 2.55Å; Y3-F5 VanDerWaalsContact O-N 3.12Å
4	N	50.7	Low	58.4	Low	149 Å²	149	124.9 Å²	124.9	80%	0.797	59%	0.592	S	S	*	*			trans	-71.4	101.4	166.5	-75.4	-20.6	0	0	0	107.1	R2 S6	R2-N4 PolarHBondContact O-N 2.85Å; N4-S6 PolarHBondContact O-N 2.76Å
5	F	48.1	Very low	59	Low	125 Å²	125	122.2 Å²	122.2	55%	0.548	58%	0.582	S	S	.	*			trans	-59	120.9	168.5	-93.9	-91.3	0	0	0	108.6	Y3 L9	Y3-F5 PolarHBondContact O-N 2.55Å; Y3-F5 VanDerWaalsContact O-N 3.12Å; F5-L9 HydrophobicContact CD1-CB 4.2Å; F5-L9 HydrophobicContact CD1-CD1 4.28Å; F5-L9 HydrophobicContact CD1-CD2 4.25Å; F5-L9 HydrophobicContact CD1-CG 4.48Å; F5-L9 HydrophobicContact CE1-CD2 4.11Å
6	S	62.1	Low	59.4	Low	56 Å²	56	118.9 Å²	118.9	39%	0.392	57%	0.565	S	S	.	*			trans	-56.6	136.7	173.8	171.5	0	0	0	0	109.9	N4 S8 L9	N4-S6 PolarHBondContact O-N 2.76Å; S6-S8 PolarHBondContact O-N 3.43Å; S6-S8 PolarHBondContact OG-N 2.88Å; S6-S8 PolarHBondContact OG-OG 2.95Å; S6-L9 WeakPolarHBondContact O-CB 3.5Å; S6-L9 PolarHBondContact O-N 3.43Å
7	P	65.9	Low	59.5	Low	100 Å²	100	120.1 Å²	120.1	65%	0.649	57%	0.568	S	S	*	*	H	α-helix	trans	-50.9	-29.2	173.3	-26.1	33.4	0	0	0	113.6	L9 W10 I11	P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 2.96Å; P7-W10 PolarHBondContact O-N 2.85Å; P7-I11 WeakPolarHBondContact O-CG1 3.5Å; P7-I11 PolarHBondContact O-N 2.83Å
8	S	67.1	Low	59.7	Low	64 Å²	64	117.4 Å²	117.4	45%	0.448	56%	0.557	S	S	.	*	H	α-helix	trans	-62.9	-32.2	176.8	63	0	0	0	0	113.8	S6 I11 L12	S6-S8 PolarHBondContact O-N 3.43Å; S6-S8 PolarHBondContact OG-N 2.88Å; S6-S8 PolarHBondContact OG-OG 2.95Å; S8-I11 PolarHBondContact O-N 3.3Å; S8-L12 PolarHBondContact O-N 2.85Å
9	L	60.9	Low	59.6	Low	65 Å²	65	120.1 Å²	120.1	34%	0.34	56%	0.561	S	S	.	*	H	α-helix	trans	-73.6	-34.8	179.5	-122.1	145.4	0	0	0	111	F5 S6 P7 L12 I13	F5-L9 HydrophobicContact CD1-CB 4.2Å; F5-L9 HydrophobicContact CD1-CD1 4.28Å; F5-L9 HydrophobicContact CD1-CD2 4.25Å; F5-L9 HydrophobicContact CD1-CG 4.48Å; F5-L9 HydrophobicContact CE1-CD2 4.11Å; S6-L9 WeakPolarHBondContact O-CB 3.5Å; S6-L9 PolarHBondContact O-N 3.43Å; P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-I13 HydrophobicContact CD2-CD1 4.39Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.26Å
10	W	62.6	Low	59.5	Low	150 Å²	150	116.8 Å²	116.8	57%	0.568	55%	0.551	S	S	*	*	H	α-helix	trans	-65.7	-38.4	171.6	-78.6	99.2	0	0	0	112.3	P7 I13 Y14	P7-W10 PolarHBondContact O-N 2.85Å; W10-I13 PolarHBondContact O-N 2.86Å; W10-Y14 WeakPolarHBondContact O-CB 3.18Å; W10-Y14 PolarHBondContact O-N 3.45Å
11	I	70.6	Confident	59.4	Low	104 Å²	104	118.4 Å²	118.4	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-62	-44.2	175.1	-64.9	167.8	0	0	0	110.5	P7 S8 Y14 L15	P7-I11 WeakPolarHBondContact O-CG1 3.5Å; P7-I11 PolarHBondContact O-N 2.83Å; S8-I11 PolarHBondContact O-N 3.3Å; I11-Y14 WeakPolarHBondContact O-CB 3.36Å; I11-Y14 PolarHBondContact O-N 2.71Å; I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 HydrophobicContact CG2-CG 4.4Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.19Å
12	L	67.1	Low	60	Low	63 Å²	63	115.3 Å²	115.3	33%	0.33	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-44.9	176.6	-78.3	163.1	0	0	0	112	S8 L9 Y14 L15 F16	S8-L12 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 3.09Å; L12-Y14 VanDerWaalsContact C-N 3.34Å; L12-Y14 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3Å; L12-F16 HydrophobicContact CD2-CE2 4.43Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.14Å; L12-F16 PolarHBondContact O-N 3.38Å
13	I	64.6	Low	60.5	Low	63 Å²	63	111.6 Å²	111.6	32%	0.323	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175.1	-69.4	168.6	0	0	0	110.2	L9 W10 L15 F16 F17	L9-I13 HydrophobicContact CD2-CD1 4.39Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.26Å; W10-I13 PolarHBondContact O-N 2.86Å; I13-L15 PolarHBondContact O-N 2.8Å; I13-F16 PolarHBondContact O-N 3.01Å; I13-F17 HydrophobicContact CG2-CD2 3.67Å; I13-F17 HydrophobicContact CG2-CE2 4.01Å; I13-F17 VanDerWaalsContact O-CD2 3.31Å; I13-F17 WeakPolarHBondContact O-CD2 3.3Å; I13-F17 PolarHBondContact O-N 3.07Å
14	Y	65.5	Low	60.5	Low	151 Å²	151	108.9 Å²	108.9	59%	0.592	51%	0.512	S	S	*	.	H	α-helix	trans	-58	-48.8	175.2	-111.6	-112.7	0	0	0	111.1	W10 I11 L12 F16 L18	W10-Y14 WeakPolarHBondContact O-CB 3.18Å; W10-Y14 PolarHBondContact O-N 3.45Å; I11-Y14 WeakPolarHBondContact O-CB 3.36Å; I11-Y14 PolarHBondContact O-N 2.71Å; L12-Y14 VanDerWaalsContact C-N 3.34Å; L12-Y14 PolarHBondContact O-N 3.07Å; Y14-F16 VanDerWaalsContact C-N 3.34Å; Y14-F16 PolarHBondContact O-N 3.07Å; Y14-L18 HydrophobicContact CD1-CD1 2.98Å; Y14-L18 HydrophobicContact CD1-CG 4.39Å; Y14-L18 HydrophobicContact CD2-CD1 3.83Å; Y14-L18 HydrophobicContact CE1-CD1 3.02Å; Y14-L18 HydrophobicContact CE1-CG 4.49Å; Y14-L18 HydrophobicContact CE2-CD1 3.86Å; Y14-L18 HydrophobicContact CG-CD1 3.38Å; Y14-L18 VanDerWaalsContact CZ-CD1 3.46Å; Y14-L18 WeakPolarHBondContact O-CA 3.34Å; Y14-L18 WeakPolarHBondContact O-CB 2.98Å; Y14-L18 PolarHBondContact O-N 3.15Å
15	L	68	Low	60.6	Low	85 Å²	85	104.3 Å²	104.3	45%	0.445	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-41.3	178.3	-71.2	168.3	0	0	0	111.8	I11 L12 I13 W19	I11-L15 HydrophobicContact CG2-CD1 3.94Å; I11-L15 HydrophobicContact CG2-CG 4.4Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3Å; I13-L15 PolarHBondContact O-N 2.8Å; L15-W19 HydrophobicContact CD2-CE3 4Å; L15-W19 HydrophobicContact CD2-CZ3 4.3Å; L15-W19 WeakPolarHBondContact O-CB 3.49Å; L15-W19 PolarHBondContact O-N 3.06Å
16	F	64.3	Low	61.4	Low	69 Å²	69	101.4 Å²	101.4	30%	0.303	48%	0.482	S	S	.	.	H	α-helix	trans	-74.7	-37.8	-177.3	-89.4	-68.9	0	0	0	114.4	L12 I13 Y14 P20 L343 I346	L12-F16 HydrophobicContact CD2-CE2 4.43Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.14Å; L12-F16 PolarHBondContact O-N 3.38Å; I13-F16 PolarHBondContact O-N 3.01Å; Y14-F16 VanDerWaalsContact C-N 3.34Å; Y14-F16 PolarHBondContact O-N 3.07Å; F16-P20 WeakPolarHBondContact O-CD 3.36Å; F16-P20 WeakPolarHBondContact O-CG 3.03Å; F16-L343 HydrophobicContact CZ-CD2 4.08Å; F16-I346 HydrophobicContact CB-CD1 4.1Å; F16-I346 HydrophobicContact CB-CG1 4.39Å; F16-I346 HydrophobicContact CD1-CD1 3.2Å; F16-I346 HydrophobicContact CD1-CG1 3.94Å; F16-I346 HydrophobicContact CD1-CG2 4.18Å; F16-I346 HydrophobicContact CD2-CD1 3.51Å; F16-I346 HydrophobicContact CE1-CD1 3.29Å; F16-I346 HydrophobicContact CE1-CG1 4.35Å; F16-I346 HydrophobicContact CE1-CG2 4.43Å; F16-I346 HydrophobicContact CE2-CD1 3.57Å; F16-I346 HydrophobicContact CG-CD1 3.31Å; F16-I346 HydrophobicContact CG-CG1 4.08Å; F16-I346 HydrophobicContact CZ-CD1 3.45Å; F16-I346 VanDerWaalsContact CZ-CD1 3.45Å
17	F	62.3	Low	62.1	Low	140 Å²	140	99.7 Å²	99.7	61%	0.614	47%	0.468	S	S	*	.	H	α-helix	trans	-91.1	-41.8	-179.5	-71	-76.7	0	0	0	112.5	I13 Y21	I13-F17 HydrophobicContact CG2-CD2 3.67Å; I13-F17 HydrophobicContact CG2-CE2 4.01Å; I13-F17 VanDerWaalsContact O-CD2 3.31Å; I13-F17 WeakPolarHBondContact O-CD2 3.3Å; I13-F17 PolarHBondContact O-N 3.07Å; F17-Y21 VanDerWaalsContact O-CB 3.29Å; F17-Y21 WeakPolarHBondContact O-CB 3.44Å; F17-Y21 PolarHBondContact O-N 3.09Å
18	L	61.8	Low	62.9	Low	71 Å²	71	98 Å²	98	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-84.4	-26.5	-174.8	-69.8	152.2	0	0	0	113.5	Y14 Y21 K22	Y14-L18 HydrophobicContact CD1-CD1 2.98Å; Y14-L18 HydrophobicContact CD1-CG 4.39Å; Y14-L18 HydrophobicContact CD2-CD1 3.83Å; Y14-L18 HydrophobicContact CE1-CD1 3.02Å; Y14-L18 HydrophobicContact CE1-CG 4.49Å; Y14-L18 HydrophobicContact CE2-CD1 3.86Å; Y14-L18 HydrophobicContact CG-CD1 3.38Å; Y14-L18 VanDerWaalsContact CZ-CD1 3.46Å; Y14-L18 WeakPolarHBondContact O-CA 3.34Å; Y14-L18 WeakPolarHBondContact O-CB 2.98Å; Y14-L18 PolarHBondContact O-N 3.15Å; L18-Y21 HydrophobicContact CD2-CD1 4.5Å; L18-K22 WeakPolarHBondContact O-CB 3.31Å; L18-K22 PolarHBondContact O-N 3Å
19	W	59.3	Low	63.7	Low	168 Å²	168	94.9 Å²	94.9	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-62.5	-55.7	175.6	-167.3	-40.7	0	0	0	111.8	L15 Y21 K22 R23	L15-W19 HydrophobicContact CD2-CE3 4Å; L15-W19 HydrophobicContact CD2-CZ3 4.3Å; L15-W19 WeakPolarHBondContact O-CB 3.49Å; L15-W19 PolarHBondContact O-N 3.06Å; W19-Y21 VanDerWaalsContact C-N 3.3Å; W19-Y21 PolarHBondContact O-N 3.03Å; W19-K22 PolarHBondContact O-N 3.16Å; W19-R23 WeakPolarHBondContact O-CB 3.24Å; W19-R23 PolarHBondContact O-N 3.28Å
20	P	57	Low	64.9	Low	55 Å²	55	93.3 Å²	93.3	36%	0.357	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-40.6	177.7	22.6	-30.4	0	0	0	110.9	F16 K22 R23 F24	F16-P20 WeakPolarHBondContact O-CD 3.36Å; F16-P20 WeakPolarHBondContact O-CG 3.03Å; P20-K22 VanDerWaalsContact C-N 3.35Å; P20-K22 PolarHBondContact O-N 3.07Å; P20-R23 PolarHBondContact O-N 2.85Å; P20-R23 VanDerWaalsContact O-N 3.14Å; P20-F24 HydrophobicContact CB-CE2 4.48Å; P20-F24 WeakPolarHBondContact O-CD2 3.41Å; P20-F24 PolarHBondContact O-N 3.15Å
21	Y	56.6	Low	66	Low	151 Å²	151	92.7 Å²	92.7	59%	0.592	43%	0.427	S	S	*	.	H	α-helix	trans	-59.2	-43.3	176.4	-174.8	-99.6	0	0	0	112.8	F17 L18 W19 F24 N25	F17-Y21 VanDerWaalsContact O-CB 3.29Å; F17-Y21 WeakPolarHBondContact O-CB 3.44Å; F17-Y21 PolarHBondContact O-N 3.09Å; L18-Y21 HydrophobicContact CD2-CD1 4.5Å; W19-Y21 VanDerWaalsContact C-N 3.3Å; W19-Y21 PolarHBondContact O-N 3.03Å; Y21-F24 PolarHBondContact O-N 2.76Å; Y21-N25 WeakPolarHBondContact CD1-ND2 3.46Å; Y21-N25 WeakPolarHBondContact CE1-ND2 3.35Å; Y21-N25 WeakPolarHBondContact CE2-ND2 3.43Å; Y21-N25 WeakPolarHBondContact O-CB 3.38Å; Y21-N25 PolarHBondContact O-N 2.8Å; Y21-N25 PolarHBondContact O-ND2 2.87Å; Y21-N25 VanDerWaalsContact O-ND2 3.15Å
22	K	53.3	Low	66.8	Low	155 Å²	155	91 Å²	91	67%	0.674	42%	0.419	S	S	*	.	H	α-helix	trans	-65.9	-40.4	176	-169.3	173.9	-177.4	178.8	0	110.6	L18 W19 P20 N25 C26	L18-K22 WeakPolarHBondContact O-CB 3.31Å; L18-K22 PolarHBondContact O-N 3Å; W19-K22 PolarHBondContact O-N 3.16Å; P20-K22 VanDerWaalsContact C-N 3.35Å; P20-K22 PolarHBondContact O-N 3.07Å; K22-N25 CarbonylContact O-C 3.57Å; K22-N25 PolarHBondContact O-N 2.82Å; K22-C26 PolarHBondContact O-N 3.28Å; K22-C26 PolarHBondContact O-SG 2.82Å
23	R	53.7	Low	67.7	Low	161 Å²	161	90.9 Å²	90.9	61%	0.608	42%	0.422	S	S	*	.	H	α-helix	trans	-65.5	-39.8	178.1	-168.7	176	179.4	170.3	-0.4	112.6	W19 P20 N25 C26	W19-R23 WeakPolarHBondContact O-CB 3.24Å; W19-R23 PolarHBondContact O-N 3.28Å; P20-R23 PolarHBondContact O-N 2.85Å; P20-R23 VanDerWaalsContact O-N 3.14Å; R23-N25 VanDerWaalsContact C-N 3.35Å; R23-C26 PolarHBondContact O-N 2.88Å
24	F	50	Low	68.8	Low	142 Å²	142	94.2 Å²	94.2	62%	0.623	44%	0.441	S	S	*	.	H	α-helix	trans	-68.6	-34.9	173.8	-78.8	-69.5	0	0	0	112	P20 Y21 C26	P20-F24 HydrophobicContact CB-CE2 4.48Å; P20-F24 WeakPolarHBondContact O-CD2 3.41Å; P20-F24 PolarHBondContact O-N 3.15Å; Y21-F24 PolarHBondContact O-N 2.76Å; F24-C26 VanDerWaalsContact C-N 3.32Å; F24-C26 PolarHBondContact O-N 2.77Å
25	N	52.2	Low	69.8	Low	53 Å²	53	89 Å²	89	28%	0.283	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	11.3	175.8	-72.9	-43	0	0	0	114.2	Y21 K22 R23 K31	Y21-N25 WeakPolarHBondContact CD1-ND2 3.46Å; Y21-N25 WeakPolarHBondContact CE1-ND2 3.35Å; Y21-N25 WeakPolarHBondContact CE2-ND2 3.43Å; Y21-N25 WeakPolarHBondContact O-CB 3.38Å; Y21-N25 PolarHBondContact O-N 2.8Å; Y21-N25 PolarHBondContact O-ND2 2.87Å; Y21-N25 VanDerWaalsContact O-ND2 3.15Å; K22-N25 CarbonylContact O-C 3.57Å; K22-N25 PolarHBondContact O-N 2.82Å; R23-N25 VanDerWaalsContact C-N 3.35Å; N25-K31 WeakPolarHBondContact O-CE 3.17Å; N25-K31 PolarHBondContact O-NZ 2.88Å
26	C	64	Low	70.8	Confident	64 Å²	64	85.2 Å²	85.2	43%	0.432	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-19.3	-175	-92.8	0	0	0	0	113.8	K22 R23 F24	K22-C26 PolarHBondContact O-N 3.28Å; K22-C26 PolarHBondContact O-SG 2.82Å; R23-C26 PolarHBondContact O-N 2.88Å; F24-C26 VanDerWaalsContact C-N 3.32Å; F24-C26 PolarHBondContact O-N 2.77Å
27	N	76.8	Confident	71.9	Confident	20 Å²	20	87.7 Å²	87.7	11%	0.107	42%	0.419	C	S	.	.	S	Bend	trans	-86.7	128.5	-178.5	-168.3	9.9	0	0	0	110.5	I29 C30 I194	N27-I29 PolarHBondContact O-N 2.79Å; N27-C30 WeakPolarHBondContact O-CB 3.5Å; N27-C30 PolarHBondContact O-N 2.8Å; N27-I194 WeakPolarHBondContact ND2-CG1 3.09Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.09Å
28	D	82.8	Confident	73.3	Confident	63 Å²	63	84.9 Å²	84.9	34%	0.337	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-32.1	-174.2	-51.5	-46.7	0	0	0	111.7	C30 K31 N32 L35 Y54	D28-C30 VanDerWaalsContact C-N 3.28Å; D28-C30 PolarHBondContact O-N 2.8Å; D28-K31 CarbonylContact O-C 3.56Å; D28-K31 WeakPolarHBondContact O-CB 3.17Å; D28-K31 PolarHBondContact O-N 2.85Å; D28-N32 PolarHBondContact O-N 2.86Å; D28-L35 HydrophobicContact CB-CD1 3.83Å; D28-Y54 HydrophobicContact CB-CE2 4.14Å; D28-Y54 WeakPolarHBondContact CB-OH 3.25Å; D28-Y54 PolarHBondContact OD2-OH 2.87Å
29	I	84.7	Confident	74.8	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-61.2	-35.4	173.8	-73.1	168.8	0	0	0	111.7	N27 K31 N32 P33 L35 L36 Y54 I194 E197 H200	N27-I29 PolarHBondContact O-N 2.79Å; I29-K31 PolarHBondContact O-N 2.86Å; I29-N32 CarbonylContact O-C 3.55Å; I29-N32 PolarHBondContact O-N 2.82Å; I29-P33 WeakPolarHBondContact O-CA 3.25Å; I29-L35 HydrophobicContact CG1-CB 3.79Å; I29-L36 HydrophobicContact CD1-CD1 4.49Å; I29-L36 HydrophobicContact CG2-CB 4.17Å; I29-L36 HydrophobicContact CG2-CD1 3.97Å; I29-Y54 HydrophobicContact CD1-CD1 3.51Å; I29-Y54 HydrophobicContact CD1-CE1 3.57Å; I29-Y54 HydrophobicContact CD1-CG 4.21Å; I29-Y54 HydrophobicContact CG1-CD1 4.16Å; I29-Y54 HydrophobicContact CG1-CE1 4Å; I29-I194 HydrophobicContact CB-CD1 3.97Å; I29-I194 HydrophobicContact CD1-CD1 3.26Å; I29-I194 HydrophobicContact CG1-CD1 4.17Å; I29-I194 HydrophobicContact CG2-CD1 3.87Å; I29-E197 HydrophobicContact CG2-CB 4.08Å; I29-E197 HydrophobicContact CG2-CG 4.15Å; I29-H200 HydrophobicContact CD1-CB 3.84Å
30	C	85.8	Confident	76.4	Confident	31 Å²	31	79.8 Å²	79.8	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-66.4	-28.3	174.7	-49.3	0	0	0	0	112.2	N27 D28 C196	N27-C30 WeakPolarHBondContact O-CB 3.5Å; N27-C30 PolarHBondContact O-N 2.8Å; D28-C30 VanDerWaalsContact C-N 3.28Å; D28-C30 PolarHBondContact O-N 2.8Å; C30-C196 WeakPolarHBondContact CA-SG 3.29Å; C30-C196 HydrophobicContact CB-CB 3.9Å; C30-C196 WeakPolarHBondContact CB-SG 3.02Å; C30-C196 WeakPolarHBondContact SG-CB 3.45Å; C30-C196 CovalentContact SG-SG 1.99Å; C30-C196 PolarHBondContact SG-SG 3.31Å
31	K	86.1	Confident	78.2	Confident	137 Å²	137	78.9 Å²	78.9	60%	0.596	38%	0.381	S	S	*	.	H	α-helix	trans	-87.2	-32.8	179	-66.7	179.4	-178.6	144.8	0	112.2	N25 D28 I29	N25-K31 WeakPolarHBondContact O-CE 3.17Å; N25-K31 PolarHBondContact O-NZ 2.88Å; D28-K31 CarbonylContact O-C 3.56Å; D28-K31 WeakPolarHBondContact O-CB 3.17Å; D28-K31 PolarHBondContact O-N 2.85Å; I29-K31 PolarHBondContact O-N 2.86Å
32	N	87.1	Confident	79.9	Confident	68 Å²	68	71.7 Å²	71.7	36%	0.364	35%	0.353	S	S	.	.			trans	-136.5	87.2	-177.8	-174.9	7.5	0	0	0	109.2	D28 I29 D34 L35	D28-N32 PolarHBondContact O-N 2.86Å; I29-N32 CarbonylContact O-C 3.55Å; I29-N32 PolarHBondContact O-N 2.82Å; N32-D34 PolarHBondContact O-N 2.69Å; N32-D34 VanDerWaalsContact O-N 3.1Å; N32-D34 WeakPolarHBondContact OD1-CB 3.34Å; N32-D34 PolarHBondContact OD1-N 2.87Å; N32-L35 HydrophobicContact CB-CD1 4.01Å; N32-L35 HydrophobicContact CB-CG 4.12Å; N32-L35 WeakPolarHBondContact O-CB 3.45Å; N32-L35 PolarHBondContact O-N 3.21Å; N32-L35 VanDerWaalsContact O-N 3.08Å
33	P	86.1	Confident	81.7	Confident	61 Å²	61	66 Å²	66	40%	0.396	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-58.6	-21.1	-179.9	-27.1	36.4	0	0	0	114.1	I29 L35 L36	I29-P33 WeakPolarHBondContact O-CA 3.25Å; P33-L35 PolarHBondContact O-N 2.97Å; P33-L36 WeakPolarHBondContact O-CB 3.4Å; P33-L36 PolarHBondContact O-N 3.01Å
34	D	87.1	Confident	83.6	Confident	134 Å²	134	61.9 Å²	61.9	72%	0.717	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-62.4	-24.3	176.8	-62.9	-21.6	0	0	0	112.3	N32 L36	N32-D34 PolarHBondContact O-N 2.69Å; N32-D34 VanDerWaalsContact O-N 3.1Å; N32-D34 WeakPolarHBondContact OD1-CB 3.34Å; N32-D34 PolarHBondContact OD1-N 2.87Å; D34-L36 PolarHBondContact O-N 2.79Å
35	L	87.8	Confident	85.7	Confident	40 Å²	40	58.6 Å²	58.6	21%	0.209	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-67.8	-19.1	174.9	-63.8	177	0	0	0	113	D28 I29 N32 P33 N37 Y38 Y54	D28-L35 HydrophobicContact CB-CD1 3.83Å; I29-L35 HydrophobicContact CG1-CB 3.79Å; N32-L35 HydrophobicContact CB-CD1 4.01Å; N32-L35 HydrophobicContact CB-CG 4.12Å; N32-L35 WeakPolarHBondContact O-CB 3.45Å; N32-L35 PolarHBondContact O-N 3.21Å; N32-L35 VanDerWaalsContact O-N 3.08Å; P33-L35 PolarHBondContact O-N 2.97Å; L35-N37 VanDerWaalsContact C-N 3.29Å; L35-N37 PolarHBondContact O-N 2.95Å; L35-Y38 PolarHBondContact O-N 3.49Å; L35-Y54 HydrophobicContact CB-CD2 4.06Å; L35-Y54 HydrophobicContact CB-CG 4.46Å; L35-Y54 HydrophobicContact CD1-CD2 4.1Å; L35-Y54 HydrophobicContact CD1-CE2 3.91Å; L35-Y54 HydrophobicContact CD2-CD2 4.36Å; L35-Y54 HydrophobicContact CG-CD2 4.4Å
36	L	88	Confident	87.7	Confident	6 Å²	6	63 Å²	63	3%	0.031	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-61.6	-38.2	-177.6	-175.6	71.5	0	0	0	112.2	I29 P33 D34 I194 R198 H200	I29-L36 HydrophobicContact CD1-CD1 4.49Å; I29-L36 HydrophobicContact CG2-CB 4.17Å; I29-L36 HydrophobicContact CG2-CD1 3.97Å; P33-L36 WeakPolarHBondContact O-CB 3.4Å; P33-L36 PolarHBondContact O-N 3.01Å; D34-L36 PolarHBondContact O-N 2.79Å; L36-I194 HydrophobicContact CD1-CD1 4.49Å; L36-R198 VanDerWaalsContact CD1-O 3.27Å; L36-R198 WeakPolarHBondContact CD1-O 3.49Å; L36-R198 HydrophobicContact CD2-CB 4.07Å; L36-H200 HydrophobicContact CD1-CB 3.99Å; L36-H200 PolarHBondContact O-CE1 2.77Å; L36-H200 PolarHBondContact O-ND1 2.86Å
37	N	87.5	Confident	89.2	Confident	121 Å²	121	63.2 Å²	63.2	65%	0.647	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-116.9	20.6	-178.6	-57.9	-51.3	0	0	0	111.8	L35 E39	L35-N37 VanDerWaalsContact C-N 3.29Å; L35-N37 PolarHBondContact O-N 2.95Å; N37-E39 PolarHBondContact O-N 2.9Å; N37-E39 VanDerWaalsContact O-N 3.13Å
38	Y	91.1	Very high	90.1	Very high	82 Å²	82	64 Å²	64	32%	0.322	33%	0.331	S	S	.	.			trans	-64.8	116.4	-179.7	174.6	-95	0	0	0	110.1	L35 L52 H53	L35-Y38 PolarHBondContact O-N 3.49Å; Y38-L52 HydrophobicContact CE1-CB 4.42Å; Y38-H53 WeakPolarHBondContact O-CA 3.46Å
39	E	94.2	Very high	90.7	Very high	89 Å²	89	61.9 Å²	61.9	42%	0.416	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.1	170	173.8	172.9	-135.9	0	0	108.8	N37 V41 R49 L52 H53	N37-E39 PolarHBondContact O-N 2.9Å; N37-E39 VanDerWaalsContact O-N 3.13Å; E39-V41 HydrophobicContact CG-CG2 4.14Å; E39-R49 VanDerWaalsContact CD-NH2 3.32Å; E39-R49 IonicContact OE1-CZ 3.95Å; E39-R49 IonicContact OE1-NH2 3.73Å; E39-R49 PolarHBondContact OE1-NH2 2.92Å; E39-R49 IonicContact OE2-NH2 3.65Å; E39-L52 CarbonylContact C-O 3.58Å; E39-L52 WeakPolarHBondContact CA-O 3.47Å; E39-H53 VanDerWaalsContact CG-CE1 3.48Å; E39-H53 WeakPolarHBondContact CG-CE1 3.49Å; E39-H53 IonicContact OE1-CE1 4Å; E39-H53 PolarHBondContact OE1-CE1 3.26Å; E39-H53 VanDerWaalsContact OE1-CE1 3.24Å; E39-H53 IonicContact OE1-NE2 3.78Å
40	N	92.8	Very high	91.2	Very high	42 Å²	42	61.9 Å²	61.9	23%	0.225	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	108	170.6	-166.1	-14.2	0	0	0	110.6	I42 S51 L52 G249	N40-I42 PolarHBondContact O-N 3.49Å; N40-S51 CarbonylContact O-C 3.54Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.5Å; N40-L52 HydrophobicContact CB-CB 4.5Å; N40-L52 PolarHBondContact N-O 3.09Å; N40-L52 PolarHBondContact O-N 3.38Å; N40-G249 VanDerWaalsContact ND2-CA 3.32Å; N40-G249 WeakPolarHBondContact ND2-CA 3.36Å; N40-G249 PolarHBondContact ND2-O 2.98Å
41	V	93.8	Very high	91.7	Very high	36 Å²	36	60.4 Å²	60.4	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	106.7	179.8	-175.3	0	0	0	0	110.2	E39 E44 R49 K248	E39-V41 HydrophobicContact CG-CG2 4.14Å; V41-E44 HydrophobicContact CG1-CB 3.94Å; V41-R49 HydrophobicContact CG1-CG 4.39Å; V41-K248 WeakPolarHBondContact O-CE 3.22Å; V41-K248 PolarHBondContact O-NZ 2.93Å
42	I	92.4	Very high	92.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-49.1	-178.2	-51.1	-57.9	0	0	0	110.4	N40 Y50 L52 K248 D267	N40-I42 PolarHBondContact O-N 3.49Å; I42-Y50 HydrophobicContact CB-CD1 3.95Å; I42-Y50 HydrophobicContact CG1-CD1 3.91Å; I42-Y50 HydrophobicContact CG1-CE1 4.3Å; I42-Y50 HydrophobicContact CG2-CD1 4.43Å; I42-Y50 PolarHBondContact N-O 3.05Å; I42-L52 HydrophobicContact CD1-CD1 3.91Å; I42-L52 HydrophobicContact CD1-CG 4.04Å; I42-L52 HydrophobicContact CG1-CD1 4.31Å; I42-L52 HydrophobicContact CG1-CG 3.97Å; I42-K248 HydrophobicContact CG2-CB 4.49Å; I42-K248 WeakPolarHBondContact O-CD 3.44Å; I42-K248 WeakPolarHBondContact O-CE 3.36Å; I42-K248 PolarHBondContact O-NZ 2.67Å; I42-D267 WeakPolarHBondContact CG2-O 3.42Å
43	I	91.9	Very high	92.4	Very high	36 Å²	36	51.4 Å²	51.4	19%	0.185	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.3	176.8	178.1	164.1	0	0	0	109.7	Y48 R49 Y50 V270	I43-Y48 HydrophobicContact CG2-CD1 3.97Å; I43-Y48 HydrophobicContact CG2-CE1 3.78Å; I43-R49 CarbonylContact O-C 3.57Å; I43-R49 VanDerWaalsContact O-CA 3.3Å; I43-R49 WeakPolarHBondContact O-CA 3.49Å; I43-Y50 PolarHBondContact N-O 2.89Å; I43-Y50 PolarHBondContact O-N 2.94Å; I43-V270 HydrophobicContact CB-CG2 4.08Å; I43-V270 HydrophobicContact CD1-CG1 4.18Å; I43-V270 HydrophobicContact CD1-CG2 3.62Å; I43-V270 HydrophobicContact CG1-CG2 4.36Å; I43-V270 HydrophobicContact CG2-CG2 4.43Å
44	E	93.9	Very high	92.6	Very high	73 Å²	73	49.3 Å²	49.3	34%	0.341	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	131.7	173.4	-175.9	171.9	159.3	0	0	109.6	V41 Y48 R49 K207 W208	V41-E44 HydrophobicContact CG1-CB 3.94Å; E44-Y48 CarbonylContact C-O 3.5Å; E44-Y48 WeakPolarHBondContact CA-O 3.36Å; E44-R49 HydrophobicContact CB-CG 4.41Å; E44-R49 HydrophobicContact CG-CB 4.34Å; E44-R49 HydrophobicContact CG-CG 4.38Å; E44-R49 IonicContact OE1-NH1 2.73Å; E44-R49 IonicContact OE2-CZ 2.64Å; E44-R49 IonicContact OE2-NE 2.65Å; E44-R49 IonicContact OE2-NH1 3.98Å; E44-R49 PolarHBondContact OE2-NH1 3.49Å; E44-K207 WeakPolarHBondContact OE1-CE 3.37Å; E44-K207 IonicContact OE1-NZ 3.66Å; E44-K207 PolarHBondContact OE1-NZ 3.49Å; E44-W208 HydrophobicContact CG-CZ2 4.14Å
45	N	93.7	Very high	92.8	Very high	74 Å²	74	45 Å²	45	40%	0.396	23%	0.225	S	C	.	.			trans	-138.8	-166	165.8	65.4	38.7	0	0	0	108.4	T47 Y48 W208	N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 2.93Å; N45-T47 PolarHBondContact OD1-N 2.64Å; N45-T47 PolarHBondContact OD1-OG1 2.65Å; N45-Y48 PolarHBondContact N-O 3.24Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.25Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.25Å; N45-Y48 PolarHBondContact OD1-N 2.73Å; N45-Y48 PolarHBondContact OD1-O 2.84Å; N45-W208 WeakPolarHBondContact O-CH2 3.03Å; N45-W208 WeakPolarHBondContact O-CZ2 3.5Å
46	D	94.1	Very high	93.1	Very high	145 Å²	145	43.1 Å²	43.1	78%	0.775	22%	0.216	S	C	*	.	S	Bend	trans	-69.5	-27.3	-175.8	-65.5	-29.5	0	0	0	114.2	R62	D46-R62 VanDerWaalsContact O-CD 3.25Å; D46-R62 WeakPolarHBondContact O-CD 3.31Å; D46-R62 PolarHBondContact O-NE 3.11Å
47	T	95.8	Very high	93.4	Very high	69 Å²	69	43 Å²	43	42%	0.423	22%	0.215	S	C	.	.	S	Bend	trans	-113.5	-11.4	-174.3	59.9	0	0	0	0	114.2	N45 Q61 R62	N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 2.93Å; N45-T47 PolarHBondContact OD1-N 2.64Å; N45-T47 PolarHBondContact OD1-OG1 2.65Å; T47-Q61 CarbonylContact O-C 3.57Å; T47-Q61 WeakPolarHBondContact O-CA 3.37Å; T47-R62 HydrophobicContact CG2-CB 4.34Å; T47-R62 PolarHBondContact O-N 3.12Å
48	Y	95.6	Very high	93.8	Very high	35 Å²	35	37.2 Å²	37.2	14%	0.137	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.4	-171.9	-166.3	-98.3	0	0	0	112.5	I43 E44 N45 R59 I60 Q61 D267	I43-Y48 HydrophobicContact CG2-CD1 3.97Å; I43-Y48 HydrophobicContact CG2-CE1 3.78Å; E44-Y48 CarbonylContact C-O 3.5Å; E44-Y48 WeakPolarHBondContact CA-O 3.36Å; N45-Y48 PolarHBondContact N-O 3.24Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.25Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.25Å; N45-Y48 PolarHBondContact OD1-N 2.73Å; N45-Y48 PolarHBondContact OD1-O 2.84Å; Y48-R59 HydrophobicContact CE2-CG 3.9Å; Y48-R59 VanDerWaalsContact OH-CD 3.28Å; Y48-R59 WeakPolarHBondContact OH-CD 3.18Å; Y48-R59 WeakPolarHBondContact OH-CG 3.43Å; Y48-R59 PolarHBondContact OH-NE 2.76Å; Y48-I60 CarbonylContact C-O 3.53Å; Y48-I60 WeakPolarHBondContact CA-O 3.25Å; Y48-Q61 HydrophobicContact CD2-CG 3.76Å; Y48-Q61 HydrophobicContact CE2-CG 3.62Å; Y48-D267 WeakPolarHBondContact CE1-OD1 3.34Å; Y48-D267 VanDerWaalsContact CZ-OD1 3.23Å; Y48-D267 PolarHBondContact OH-OD1 2.8Å; Y48-D267 PolarHBondContact OH-OD2 3.42Å
49	R	96	Very high	94	Very high	19 Å²	19	33.6 Å²	33.6	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	135.8	167.9	177.4	174.9	173.4	135.5	-9.8	110.7	E39 V41 I43 E44 R59 I60 W208	E39-R49 VanDerWaalsContact CD-NH2 3.32Å; E39-R49 IonicContact OE1-CZ 3.95Å; E39-R49 IonicContact OE1-NH2 3.73Å; E39-R49 PolarHBondContact OE1-NH2 2.92Å; E39-R49 IonicContact OE2-NH2 3.65Å; V41-R49 HydrophobicContact CG1-CG 4.39Å; I43-R49 CarbonylContact O-C 3.57Å; I43-R49 VanDerWaalsContact O-CA 3.3Å; I43-R49 WeakPolarHBondContact O-CA 3.49Å; E44-R49 HydrophobicContact CB-CG 4.41Å; E44-R49 HydrophobicContact CG-CB 4.34Å; E44-R49 HydrophobicContact CG-CG 4.38Å; E44-R49 IonicContact OE1-NH1 2.73Å; E44-R49 IonicContact OE2-CZ 2.64Å; E44-R49 IonicContact OE2-NE 2.65Å; E44-R49 IonicContact OE2-NH1 3.98Å; E44-R49 PolarHBondContact OE2-NH1 3.49Å; R49-R59 CarbonylContact O-C 3.56Å; R49-R59 WeakPolarHBondContact O-CA 3.2Å; R49-I60 HydrophobicContact CB-CB 4.18Å; R49-I60 HydrophobicContact CB-CD1 4.49Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 2.9Å; R49-I60 PolarHBondContact O-N 3.21Å; R49-W208 HydrophobicContact CB-CH2 4.15Å; R49-W208 HydrophobicContact CB-CZ2 3.66Å
50	Y	95.2	Very high	94.2	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.9	168.5	-173.4	-109.7	0	0	0	109.9	I42 I43 L52 S57 M58 R59 I253 D267	I42-Y50 HydrophobicContact CB-CD1 3.95Å; I42-Y50 HydrophobicContact CG1-CD1 3.91Å; I42-Y50 HydrophobicContact CG1-CE1 4.3Å; I42-Y50 HydrophobicContact CG2-CD1 4.43Å; I42-Y50 PolarHBondContact N-O 3.05Å; I43-Y50 PolarHBondContact N-O 2.89Å; I43-Y50 PolarHBondContact O-N 2.94Å; Y50-L52 HydrophobicContact CE1-CD2 3.92Å; Y50-S57 VanDerWaalsContact OH-CB 3.24Å; Y50-S57 WeakPolarHBondContact OH-CB 3.39Å; Y50-S57 PolarHBondContact OH-OG 2.9Å; Y50-M58 WeakPolarHBondContact CA-O 3.11Å; Y50-R59 HydrophobicContact CD2-CB 4Å; Y50-R59 HydrophobicContact CD2-CG 4.47Å; Y50-I253 WeakPolarHBondContact OH-CD1 3.42Å; Y50-D267 HydrophobicContact CD1-CB 3.6Å; Y50-D267 HydrophobicContact CD2-CB 4.38Å; Y50-D267 HydrophobicContact CE1-CB 3.95Å; Y50-D267 HydrophobicContact CG-CB 3.84Å
51	S	95.2	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.3	-175.9	52.4	0	0	0	0	111.5	N40 H53 S57 M58	N40-S51 CarbonylContact O-C 3.54Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.5Å; S51-H53 PolarHBondContact OG-NE2 2.93Å; S51-S57 CarbonylContact O-C 3.44Å; S51-S57 WeakPolarHBondContact O-CA 3.47Å; S51-M58 PolarHBondContact N-O 3.19Å; S51-M58 PolarHBondContact O-N 2.78Å; S51-M58 VanDerWaalsContact OG-CE 3.31Å; S51-M58 WeakPolarHBondContact OG-CE 3.44Å; S51-M58 PolarHBondContact OG-O 3.28Å
52	L	93.9	Very high	94.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.1	175	-55.8	-179.8	0	0	0	109.5	Y38 E39 N40 I42 Y50 I220 A251 I253	Y38-L52 HydrophobicContact CE1-CB 4.42Å; E39-L52 CarbonylContact C-O 3.58Å; E39-L52 WeakPolarHBondContact CA-O 3.47Å; N40-L52 HydrophobicContact CB-CB 4.5Å; N40-L52 PolarHBondContact N-O 3.09Å; N40-L52 PolarHBondContact O-N 3.38Å; I42-L52 HydrophobicContact CD1-CD1 3.91Å; I42-L52 HydrophobicContact CD1-CG 4.04Å; I42-L52 HydrophobicContact CG1-CD1 4.31Å; I42-L52 HydrophobicContact CG1-CG 3.97Å; Y50-L52 HydrophobicContact CE1-CD2 3.92Å; L52-I220 HydrophobicContact CD2-CD1 3.93Å; L52-A251 HydrophobicContact CD1-CB 3.85Å; L52-I253 HydrophobicContact CD1-CG2 4.08Å; L52-I253 HydrophobicContact CD2-CD1 4.31Å; L52-I253 HydrophobicContact CD2-CG2 4.15Å
53	H	93.8	Very high	94.7	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	174.2	179.8	-62.2	-94.3	0	0	0	109.2	Y38 E39 S51 K55 Y56 I202	Y38-H53 WeakPolarHBondContact O-CA 3.46Å; E39-H53 VanDerWaalsContact CG-CE1 3.48Å; E39-H53 WeakPolarHBondContact CG-CE1 3.49Å; E39-H53 IonicContact OE1-CE1 4Å; E39-H53 PolarHBondContact OE1-CE1 3.26Å; E39-H53 VanDerWaalsContact OE1-CE1 3.24Å; E39-H53 IonicContact OE1-NE2 3.78Å; S51-H53 PolarHBondContact OG-NE2 2.93Å; H53-K55 PolarHBondContact O-N 3.16Å; H53-K55 VanDerWaalsContact O-N 3.09Å; H53-Y56 CarbonylContact C-O 3.6Å; H53-Y56 WeakPolarHBondContact CA-O 3.18Å; H53-Y56 WeakPolarHBondContact CB-O 3.48Å; H53-Y56 PolarHBondContact N-O 3.19Å; H53-Y56 PolarHBondContact O-N 3.15Å; H53-I202 HydrophobicContact CB-CD1 3.62Å; H53-I202 HydrophobicContact CB-CG1 4.07Å; H53-I202 HydrophobicContact CB-CG2 4.26Å
54	Y	90.8	Very high	95	Very high	18 Å²	18	37.3 Å²	37.3	7%	0.071	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	117.1	176.2	177.2	-108.2	0	0	0	110.9	D28 I29 L35 Y56	D28-Y54 HydrophobicContact CB-CE2 4.14Å; D28-Y54 WeakPolarHBondContact CB-OH 3.25Å; D28-Y54 PolarHBondContact OD2-OH 2.87Å; I29-Y54 HydrophobicContact CD1-CD1 3.51Å; I29-Y54 HydrophobicContact CD1-CE1 3.57Å; I29-Y54 HydrophobicContact CD1-CG 4.21Å; I29-Y54 HydrophobicContact CG1-CD1 4.16Å; I29-Y54 HydrophobicContact CG1-CE1 4Å; L35-Y54 HydrophobicContact CB-CD2 4.06Å; L35-Y54 HydrophobicContact CB-CG 4.46Å; L35-Y54 HydrophobicContact CD1-CD2 4.1Å; L35-Y54 HydrophobicContact CD1-CE2 3.91Å; L35-Y54 HydrophobicContact CD2-CD2 4.36Å; L35-Y54 HydrophobicContact CG-CD2 4.4Å; Y54-Y56 PolarHBondContact O-N 2.77Å; Y54-Y56 VanDerWaalsContact O-N 3.09Å
55	K	90.7	Very high	95.1	Very high	43 Å²	43	38.7 Å²	38.7	19%	0.187	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	3.2	-176.2	-58.3	-159.7	-179.8	-145.8	0	116.8	H53 Y92 A219 I220 E222	H53-K55 PolarHBondContact O-N 3.16Å; H53-K55 VanDerWaalsContact O-N 3.09Å; K55-Y92 HydrophobicContact CB-CD1 4.47Å; K55-A219 CarbonylContact O-C 3.53Å; K55-A219 WeakPolarHBondContact O-CA 3.28Å; K55-I220 PolarHBondContact O-N 2.87Å; K55-E222 IonicContact NZ-OE1 3.61Å; K55-E222 PolarHBondContact NZ-OE1 2.89Å
56	Y	93.9	Very high	95.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.6	-178.2	-80.6	-89.5	0	0	0	111.6	H53 Y54 Y92 I190 I202 E218 A219 I220	H53-Y56 CarbonylContact C-O 3.6Å; H53-Y56 WeakPolarHBondContact CA-O 3.18Å; H53-Y56 WeakPolarHBondContact CB-O 3.48Å; H53-Y56 PolarHBondContact N-O 3.19Å; H53-Y56 PolarHBondContact O-N 3.15Å; Y54-Y56 PolarHBondContact O-N 2.77Å; Y54-Y56 VanDerWaalsContact O-N 3.09Å; Y56-Y92 HydrophobicContact CD2-CD1 4.06Å; Y56-Y92 AromaticContact CD2-CE1 3.66Å; Y56-Y92 HydrophobicContact CD2-CE1 3.66Å; Y56-Y92 HydrophobicContact CD2-CE2 4.33Å; Y56-Y92 AromaticContact CD2-CZ 3.83Å; Y56-Y92 AromaticContact CE2-CD1 3.59Å; Y56-Y92 HydrophobicContact CE2-CD1 3.59Å; Y56-Y92 AromaticContact CE2-CD2 3.71Å; Y56-Y92 HydrophobicContact CE2-CD2 3.71Å; Y56-Y92 AromaticContact CE2-CE1 3.57Å; Y56-Y92 HydrophobicContact CE2-CE1 3.57Å; Y56-Y92 AromaticContact CE2-CE2 3.71Å; Y56-Y92 HydrophobicContact CE2-CE2 3.71Å; Y56-Y92 AromaticContact CE2-CG 3.67Å; Y56-Y92 HydrophobicContact CE2-CG 3.67Å; Y56-Y92 AromaticContact CE2-CZ 3.66Å; Y56-Y92 PolarHBondContact OH-N 3.42Å; Y56-I190 HydrophobicContact CD1-CD1 3.99Å; Y56-I190 HydrophobicContact CD2-CD1 4.16Å; Y56-I190 HydrophobicContact CE1-CD1 4.14Å; Y56-I190 HydrophobicContact CE2-CD1 4.32Å; Y56-I190 HydrophobicContact CG-CD1 4Å; Y56-I202 HydrophobicContact CD2-CD1 4.22Å; Y56-I202 HydrophobicContact CG-CD1 4.25Å; Y56-E218 CarbonylContact C-O 3.56Å; Y56-E218 WeakPolarHBondContact CA-O 3.18Å; Y56-A219 HydrophobicContact CE1-CB 4.16Å; Y56-I220 VanDerWaalsContact C-CD1 3.41Å; Y56-I220 WeakPolarHBondContact O-CD1 3.45Å
57	S	94.1	Very high	95.1	Very high	2 Å²	2	34 Å²	34	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.9	160.5	63.1	0	0	0	0	108.9	Y50 S51 Y217 E218	Y50-S57 VanDerWaalsContact OH-CB 3.24Å; Y50-S57 WeakPolarHBondContact OH-CB 3.39Å; Y50-S57 PolarHBondContact OH-OG 2.9Å; S51-S57 CarbonylContact O-C 3.44Å; S51-S57 WeakPolarHBondContact O-CA 3.47Å; S57-Y217 WeakPolarHBondContact O-CA 3.39Å; S57-E218 PolarHBondContact N-O 3.36Å; S57-E218 PolarHBondContact O-N 3.39Å; S57-E218 PolarHBondContact OG-O 3.4Å
58	M	96.5	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.9	176	179.8	-179.1	64.6	0	0	109.3	Y50 S51 I60 V215 E216 Y217	Y50-M58 WeakPolarHBondContact CA-O 3.11Å; S51-M58 PolarHBondContact N-O 3.19Å; S51-M58 PolarHBondContact O-N 2.78Å; S51-M58 VanDerWaalsContact OG-CE 3.31Å; S51-M58 WeakPolarHBondContact OG-CE 3.44Å; S51-M58 PolarHBondContact OG-O 3.28Å; M58-I60 HydrophobicContact CE-CD1 3.96Å; M58-I60 HydrophobicContact CE-CG1 4.45Å; M58-I60 HydrophobicContact CG-CG1 4.16Å; M58-I60 HydrophobicContact SD-CD1 4.11Å; M58-I60 HydrophobicContact SD-CG1 4.33Å; M58-V215 HydrophobicContact CG-CG1 3.93Å; M58-V215 HydrophobicContact SD-CG1 4.14Å; M58-E216 CarbonylContact C-O 3.43Å; M58-E216 WeakPolarHBondContact CA-O 3.34Å; M58-Y217 HydrophobicContact CB-CD1 4.01Å; M58-Y217 HydrophobicContact CB-CE1 4Å; M58-Y217 HydrophobicContact CG-CD1 4.11Å; M58-Y217 HydrophobicContact CG-CE1 3.77Å; M58-Y217 HydrophobicContact SD-CE1 3.63Å
59	R	96.2	Very high	95	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.023	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.4	170.2	-174.5	-179.1	-67.1	119.6	1.2	109.4	Y48 R49 Y50 Q61 V215 E216 D267	Y48-R59 HydrophobicContact CE2-CG 3.9Å; Y48-R59 VanDerWaalsContact OH-CD 3.28Å; Y48-R59 WeakPolarHBondContact OH-CD 3.18Å; Y48-R59 WeakPolarHBondContact OH-CG 3.43Å; Y48-R59 PolarHBondContact OH-NE 2.76Å; R49-R59 CarbonylContact O-C 3.56Å; R49-R59 WeakPolarHBondContact O-CA 3.2Å; Y50-R59 HydrophobicContact CD2-CB 4Å; Y50-R59 HydrophobicContact CD2-CG 4.47Å; R59-Q61 HydrophobicContact CG-CG 4.1Å; R59-V215 CarbonylContact O-C 3.49Å; R59-V215 WeakPolarHBondContact O-CA 3.36Å; R59-E216 HydrophobicContact CB-CB 4.46Å; R59-E216 PolarHBondContact N-O 3.01Å; R59-E216 IonicContact NH1-OE2 2.62Å; R59-E216 PolarHBondContact O-N 3.37Å; R59-D267 IonicContact CZ-OD2 2.8Å; R59-D267 IonicContact NE-OD2 3.7Å; R59-D267 PolarHBondContact NE-OD2 2.99Å; R59-D267 VanDerWaalsContact NE-OD2 3.17Å; R59-D267 IonicContact NH2-OD2 2.77Å; R59-D267 PolarHBondContact NH2-OD2 3.13Å
60	I	97.9	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.4	174.5	-49.7	-175.6	0	0	0	108.7	Y48 R49 M58 V204 W208 T213 L214 V215	Y48-I60 CarbonylContact C-O 3.53Å; Y48-I60 WeakPolarHBondContact CA-O 3.25Å; R49-I60 HydrophobicContact CB-CB 4.18Å; R49-I60 HydrophobicContact CB-CD1 4.49Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 2.9Å; R49-I60 PolarHBondContact O-N 3.21Å; M58-I60 HydrophobicContact CE-CD1 3.96Å; M58-I60 HydrophobicContact CE-CG1 4.45Å; M58-I60 HydrophobicContact CG-CG1 4.16Å; M58-I60 HydrophobicContact SD-CD1 4.11Å; M58-I60 HydrophobicContact SD-CG1 4.33Å; I60-V204 HydrophobicContact CD1-CG1 4.28Å; I60-W208 HydrophobicContact CB-CD2 4.34Å; I60-W208 HydrophobicContact CB-CE3 4.23Å; I60-W208 HydrophobicContact CD1-CB 3.99Å; I60-W208 HydrophobicContact CD1-CD2 4.14Å; I60-W208 HydrophobicContact CD1-CG 3.71Å; I60-W208 HydrophobicContact CG2-CB 3.99Å; I60-W208 HydrophobicContact CG2-CD2 3.69Å; I60-W208 HydrophobicContact CG2-CE3 3.36Å; I60-W208 HydrophobicContact CG2-CG 3.97Å; I60-W208 HydrophobicContact CG2-CZ3 4.03Å; I60-T213 HydrophobicContact CG2-CG2 3.45Å; I60-T213 VanDerWaalsContact CG2-CG2 3.45Å; I60-L214 CarbonylContact C-O 3.6Å; I60-L214 WeakPolarHBondContact CA-O 3.36Å; I60-V215 HydrophobicContact CD1-CG2 4.47Å; I60-V215 HydrophobicContact CG1-CG1 4.26Å; I60-V215 HydrophobicContact CG1-CG2 4.17Å; I60-V215 HydrophobicContact CG2-CG2 4.14Å
61	Q	97.5	Very high	94.8	Very high	41 Å²	41	40.5 Å²	40.5	19%	0.192	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	129	-179.4	-59.2	-176	96.8	0	0	109.9	T47 Y48 R59 Q64 T213 L214	T47-Q61 CarbonylContact O-C 3.57Å; T47-Q61 WeakPolarHBondContact O-CA 3.37Å; Y48-Q61 HydrophobicContact CD2-CG 3.76Å; Y48-Q61 HydrophobicContact CE2-CG 3.62Å; R59-Q61 HydrophobicContact CG-CG 4.1Å; Q61-Q64 HydrophobicContact CB-CG 3.67Å; Q61-T213 CarbonylContact O-C 3.2Å; Q61-T213 WeakPolarHBondContact O-CA 3.43Å; Q61-T213 WeakPolarHBondContact O-CG2 3.4Å; Q61-L214 PolarHBondContact N-O 3.4Å; Q61-L214 PolarHBondContact O-N 2.84Å
62	R	97	Very high	94.8	Very high	52 Å²	52	45.1 Å²	45.1	20%	0.196	23%	0.232	C	C	.	.	S	Bend	trans	-81.2	170.2	169.4	-71.3	-170.1	-175.4	-83.3	-8.9	111.9	D46 T47 Q64 K207 W208 K210 G212	D46-R62 VanDerWaalsContact O-CD 3.25Å; D46-R62 WeakPolarHBondContact O-CD 3.31Å; D46-R62 PolarHBondContact O-NE 3.11Å; T47-R62 HydrophobicContact CG2-CB 4.34Å; T47-R62 PolarHBondContact O-N 3.12Å; R62-Q64 PolarHBondContact O-N 2.91Å; R62-Q64 VanDerWaalsContact O-N 3.16Å; R62-Q64 PolarHBondContact O-NE2 3.08Å; R62-K207 PolarHBondContact NH2-O 2.95Å; R62-W208 HydrophobicContact CG-CE3 4.34Å; R62-W208 HydrophobicContact CG-CZ3 4.03Å; R62-K210 VanDerWaalsContact NH1-CD 3.33Å; R62-G212 CarbonylContact C-O 3.54Å
63	D	96.1	Very high	94.8	Very high	131 Å²	131	45.7 Å²	45.7	70%	0.701	24%	0.235	S	C	*	.	S	Bend	trans	55.5	32.7	173.2	-49	-47.9	0	0	0	113	G212	D63-G212 PolarHBondContact N-O 2.8Å
64	Q	97.2	Very high	94.3	Very high	59 Å²	59	53 Å²	53	28%	0.276	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-91.4	132.4	178.3	-62.1	-53.9	-63.4	0	0	110.5	Q61 R62 H173 G212 L214	Q61-Q64 HydrophobicContact CB-CG 3.67Å; R62-Q64 PolarHBondContact O-N 2.91Å; R62-Q64 VanDerWaalsContact O-N 3.16Å; R62-Q64 PolarHBondContact O-NE2 3.08Å; Q64-H173 PolarHBondContact O-NE2 2.87Å; Q64-H173 VanDerWaalsContact O-NE2 3.14Å; Q64-G212 PolarHBondContact N-O 2.9Å; Q64-L214 HydrophobicContact CB-CB 3.78Å; Q64-L214 HydrophobicContact CG-CB 3.7Å; Q64-L214 HydrophobicContact CG-CD2 4.41Å
65	P	95.6	Very high	94	Very high	102 Å²	102	56 Å²	56	66%	0.662	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-65.4	161.4	172	31.4	-35.5	0	0	0	110.2	P67 H173	P65-P67 VanDerWaalsContact O-CD 3.32Å; P65-P67 WeakPolarHBondContact O-CD 3.27Å; P65-H173 PolarHBondContact O-NE2 2.93Å
66	Q	94	Very high	93.6	Very high	58 Å²	58	62.1 Å²	62.1	27%	0.271	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-58	122.3	172.9	-162.6	-176.1	3.7	0	0	110.1	V68 S70 Q144 H173	Q66-V68 VanDerWaalsContact CG-O 3.27Å; Q66-V68 WeakPolarHBondContact CG-O 3.32Å; Q66-V68 PolarHBondContact NE2-O 3.26Å; Q66-V68 PolarHBondContact O-N 3.22Å; Q66-S70 PolarHBondContact NE2-OG 3.34Å; Q66-S70 PolarHBondContact OE1-OG 3.46Å; Q66-Q144 VanDerWaalsContact NE2-NE2 3.2Å; Q66-H173 WeakPolarHBondContact CA-CE1 3.28Å
67	P	94	Very high	92.7	Very high	63 Å²	63	62.8 Å²	62.8	41%	0.409	31%	0.314	S	S	.	.	S	Bend	trans	-65.7	-26.2	-176.7	-22.7	32.4	0	0	0	113.5	P65 L163 H173 L214	P65-P67 VanDerWaalsContact O-CD 3.32Å; P65-P67 WeakPolarHBondContact O-CD 3.27Å; P67-L163 HydrophobicContact CB-CD1 3.86Å; P67-L163 HydrophobicContact CG-CD1 4.27Å; P67-H173 HydrophobicContact CG-CB 4.27Å; P67-L214 HydrophobicContact CG-CD1 3.76Å
68	V	95.1	Very high	91.6	Very high	6 Å²	6	69.2 Å²	69.2	4%	0.036	35%	0.348	C	S	.	.	S	Bend	trans	-139.4	122.9	-176.8	-177	0	0	0	0	108.2	Q66 R72 F73 L135 L140 L163	Q66-V68 VanDerWaalsContact CG-O 3.27Å; Q66-V68 WeakPolarHBondContact CG-O 3.32Å; Q66-V68 PolarHBondContact NE2-O 3.26Å; Q66-V68 PolarHBondContact O-N 3.22Å; V68-R72 HydrophobicContact CG1-CB 4.11Å; V68-R72 HydrophobicContact CG1-CG 4.4Å; V68-F73 HydrophobicContact CB-CE2 4.12Å; V68-F73 HydrophobicContact CB-CZ 4.38Å; V68-F73 HydrophobicContact CG1-CE2 3.79Å; V68-F73 HydrophobicContact CG1-CZ 4.21Å; V68-L135 HydrophobicContact CG1-CD2 4.03Å; V68-L140 HydrophobicContact CG2-CD2 3.56Å; V68-L163 HydrophobicContact CG2-CD1 3.69Å; V68-L163 HydrophobicContact CG2-CD2 3.95Å
69	P	94.7	Very high	90.3	Very high	66 Å²	66	74 Å²	74	43%	0.429	38%	0.377	S	S	.	.			trans	-58.7	138.5	178	-24	33.1	0	0	0	112.6	E71 R72	P69-E71 WeakPolarHBondContact CB-OE2 3.39Å; P69-E71 PolarHBondContact O-N 3.24Å; P69-E71 VanDerWaalsContact O-N 3.15Å; P69-R72 WeakPolarHBondContact O-CB 3.26Å; P69-R72 PolarHBondContact O-N 2.97Å; P69-R72 VanDerWaalsContact O-N 3.09Å
70	S	93.3	Very high	89.2	Confident	39 Å²	39	79.9 Å²	79.9	27%	0.273	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29	-177	-63.5	0	0	0	0	113.8	Q66 R72 F73 Q144	Q66-S70 PolarHBondContact NE2-OG 3.34Å; Q66-S70 PolarHBondContact OE1-OG 3.46Å; S70-R72 PolarHBondContact O-N 3.38Å; S70-R72 VanDerWaalsContact O-N 3.07Å; S70-F73 PolarHBondContact O-N 3.48Å; S70-F73 VanDerWaalsContact O-N 3.07Å; S70-Q144 PolarHBondContact OG-NE2 3.41Å
71	E	93.2	Very high	88.3	Confident	148 Å²	148	84.2 Å²	84.2	69%	0.692	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-65.7	-13.6	180	-53.8	81.9	-178.2	0	0	113.5	P69 K74	P69-E71 WeakPolarHBondContact CB-OE2 3.39Å; P69-E71 PolarHBondContact O-N 3.24Å; P69-E71 VanDerWaalsContact O-N 3.15Å; E71-K74 WeakPolarHBondContact O-CE 3.38Å
72	R	94.9	Very high	87.6	Confident	98 Å²	98	87.2 Å²	87.2	37%	0.37	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-76.8	-25.1	175.2	-62.6	-170.2	66.2	-166.1	3.5	112.5	V68 P69 S70 K74 L135 E137	V68-R72 HydrophobicContact CG1-CB 4.11Å; V68-R72 HydrophobicContact CG1-CG 4.4Å; P69-R72 WeakPolarHBondContact O-CB 3.26Å; P69-R72 PolarHBondContact O-N 2.97Å; P69-R72 VanDerWaalsContact O-N 3.09Å; S70-R72 PolarHBondContact O-N 3.38Å; S70-R72 VanDerWaalsContact O-N 3.07Å; R72-K74 PolarHBondContact O-N 3Å; R72-L135 HydrophobicContact CB-CD1 4.46Å; R72-L135 HydrophobicContact CB-CD2 4.4Å; R72-E137 IonicContact CZ-OE1 3.6Å; R72-E137 IonicContact CZ-OE2 2.82Å; R72-E137 IonicContact NE-OE1 3.24Å; R72-E137 IonicContact NH2-OE1 2.65Å; R72-E137 PolarHBondContact NH2-OE1 3.42Å; R72-E137 IonicContact NH2-OE2 3.51Å; R72-E137 PolarHBondContact NH2-OE2 3.2Å
73	F	93.8	Very high	87.1	Confident	15 Å²	15	85.9 Å²	85.9	7%	0.066	44%	0.435	C	S	.	.			trans	-82.1	84	179.7	-63	-96.4	0	0	0	110.4	V68 S70 A133 L135 Q144 T161 L163	V68-F73 HydrophobicContact CB-CE2 4.12Å; V68-F73 HydrophobicContact CB-CZ 4.38Å; V68-F73 HydrophobicContact CG1-CE2 3.79Å; V68-F73 HydrophobicContact CG1-CZ 4.21Å; S70-F73 PolarHBondContact O-N 3.48Å; S70-F73 VanDerWaalsContact O-N 3.07Å; F73-A133 HydrophobicContact CB-CB 3.74Å; F73-L135 HydrophobicContact CD1-CB 3.87Å; F73-L135 HydrophobicContact CE1-CB 3.99Å; F73-L135 HydrophobicContact CG-CB 4.47Å; F73-Q144 HydrophobicContact CB-CB 4.25Å; F73-Q144 HydrophobicContact CD1-CB 3.59Å; F73-Q144 HydrophobicContact CD2-CB 4.06Å; F73-Q144 HydrophobicContact CE1-CB 3.84Å; F73-Q144 HydrophobicContact CE2-CB 4.29Å; F73-Q144 HydrophobicContact CG-CB 3.7Å; F73-Q144 HydrophobicContact CZ-CB 4.19Å; F73-T161 HydrophobicContact CE1-CG2 4.21Å; F73-T161 HydrophobicContact CE2-CG2 4.27Å; F73-T161 HydrophobicContact CZ-CG2 3.57Å; F73-L163 HydrophobicContact CZ-CD2 3.99Å
74	K	84.6	Confident	86.8	Confident	165 Å²	165	83.1 Å²	83.1	72%	0.717	43%	0.426	S	S	*	.			trans	-95.4	-26	-171.5	-65.7	177.8	-177.8	176.5	0	114.1	E71 R72	E71-K74 WeakPolarHBondContact O-CE 3.38Å; R72-K74 PolarHBondContact O-N 3Å
75	N	82.8	Confident	86.4	Confident	81 Å²	81	81.3 Å²	81.3	43%	0.433	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.9	-170.9	-58.8	-29.5	0	0	0	109.9	A133 F134	N75-A133 CarbonylContact O-C 3.6Å; N75-A133 VanDerWaalsContact O-CA 3.24Å; N75-A133 WeakPolarHBondContact O-CA 3.39Å; N75-F134 HydrophobicContact CB-CD1 3.41Å; N75-F134 VanDerWaalsContact CB-CD1 3.41Å; N75-F134 HydrophobicContact CB-CD2 4.31Å; N75-F134 HydrophobicContact CB-CE1 3.13Å; N75-F134 HydrophobicContact CB-CE2 4.06Å; N75-F134 HydrophobicContact CB-CG 4.02Å; N75-F134 HydrophobicContact CB-CZ 3.48Å; N75-F134 VanDerWaalsContact CB-CZ 3.48Å; N75-F134 PolarHBondContact N-O 2.79Å; N75-F134 WeakPolarHBondContact ND2-CE2 3.34Å; N75-F134 WeakPolarHBondContact ND2-CZ 3.33Å; N75-F134 VanDerWaalsContact O-CD1 3.31Å; N75-F134 WeakPolarHBondContact O-CD1 3.35Å; N75-F134 PolarHBondContact O-N 3.4Å
76	K	83.9	Confident	86.2	Confident	171 Å²	171	82 Å²	82	74%	0.743	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	144.7	174.9	-64.5	-168.2	175.7	-167.9	0	110.6
77	V	75.2	Confident	86.1	Confident	16 Å²	16	79.6 Å²	79.6	10%	0.097	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-99.7	128.7	176.4	-179.7	0	0	0	0	109.1	F101 T132 F134	V77-F101 HydrophobicContact CG1-CB 3.72Å; V77-F101 HydrophobicContact CG1-CD2 4.48Å; V77-F101 HydrophobicContact CG1-CG 4.19Å; V77-F101 HydrophobicContact CG2-CG 4.47Å; V77-T132 HydrophobicContact CB-CG2 4.14Å; V77-T132 HydrophobicContact CG2-CG2 3.92Å; V77-T132 PolarHBondContact N-O 3.36Å; V77-F134 HydrophobicContact CG2-CB 4.26Å; V77-F134 HydrophobicContact CG2-CD1 3.59Å; V77-F134 HydrophobicContact CG2-CE1 4.4Å; V77-F134 HydrophobicContact CG2-CG 4.33Å
78	D	70.4	Confident	86	Confident	137 Å²	137	80.6 Å²	80.6	73%	0.733	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-86.7	151.6	166	-73.1	-31.6	0	0	0	109.8	I80	D78-I80 CarbonylContact O-C 3.51Å; D78-I80 PolarHBondContact O-N 3.21Å
79	V	69.6	Low	85.9	Confident	100 Å²	100	80.5 Å²	80.5	61%	0.606	41%	0.41	S	S	*	.	S	Bend	trans	-23.3	-45.5	-168.5	-171.2	0	0	0	0	117.6	D103	V79-D103 WeakPolarHBondContact CG1-O 3.36Å; V79-D103 PolarHBondContact O-N 3.49Å
80	I	72.7	Confident	85.7	Confident	129 Å²	129	79.9 Å²	79.9	66%	0.662	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	121.3	173.3	-56.8	177	0	0	0	109	D78 F101	D78-I80 CarbonylContact O-C 3.51Å; D78-I80 PolarHBondContact O-N 3.21Å; I80-F101 WeakPolarHBondContact CA-O 3.36Å
81	Y	78.2	Confident	85.7	Confident	91 Å²	91	78.3 Å²	78.3	36%	0.357	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.2	-179.5	-176.3	-120.4	0	0	0	111	H83 H100 F101 F134	Y81-H83 HydrophobicContact CD1-CB 4Å; Y81-H83 HydrophobicContact CE1-CB 3.59Å; Y81-H83 AromaticContact CE1-CG 3.78Å; Y81-H83 AromaticContact CE1-ND1 3.73Å; Y81-H83 AromaticContact CZ-ND1 3.9Å; Y81-H83 PolarHBondContact OH-ND1 2.97Å; Y81-H100 WeakPolarHBondContact O-CA 3.37Å; Y81-F101 AromaticContact CD1-CD2 3.7Å; Y81-F101 HydrophobicContact CD1-CD2 3.7Å; Y81-F101 AromaticContact CD1-CE2 3.95Å; Y81-F101 HydrophobicContact CD1-CE2 3.95Å; Y81-F101 HydrophobicContact CE1-CE2 4.5Å; Y81-F101 HydrophobicContact CG-CD2 4.43Å; Y81-F101 PolarHBondContact N-O 3.2Å; Y81-F101 VanDerWaalsContact N-O 3.09Å; Y81-F101 WeakPolarHBondContact O-CD2 3.27Å; Y81-F101 PolarHBondContact O-N 3.2Å; Y81-F134 HydrophobicContact CE1-CE1 4.12Å; Y81-F134 HydrophobicContact CE1-CZ 4.1Å
82	E	84.2	Confident	85.5	Confident	104 Å²	104	71.6 Å²	71.6	49%	0.486	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.7	168.1	172.3	162.6	-147.1	0	0	109	N98 H100	E82-N98 HydrophobicContact CG-CB 4.4Å; E82-N98 PolarHBondContact OE1-ND2 3.37Å; E82-H100 VanDerWaalsContact CG-CD2 3.49Å; E82-H100 WeakPolarHBondContact CG-CD2 3.45Å; E82-H100 VanDerWaalsContact CG-NE2 3.34Å; E82-H100 WeakPolarHBondContact CG-NE2 3.46Å; E82-H100 IonicContact OE1-CD2 3.98Å; E82-H100 IonicContact OE1-CE1 2.72Å; E82-H100 IonicContact OE1-NE2 3.74Å; E82-H100 PolarHBondContact OE1-NE2 3.34Å; E82-H100 IonicContact OE2-CE1 3.51Å; E82-H100 IonicContact OE2-NE2 3.21Å
83	H	85.1	Confident	85.1	Confident	24 Å²	24	70 Å²	70	11%	0.111	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.3	-178	-171.1	56.6	0	0	0	110.1	Y81 P85 N98 I99 F101 D136	Y81-H83 HydrophobicContact CD1-CB 4Å; Y81-H83 HydrophobicContact CE1-CB 3.59Å; Y81-H83 AromaticContact CE1-CG 3.78Å; Y81-H83 AromaticContact CE1-ND1 3.73Å; Y81-H83 AromaticContact CZ-ND1 3.9Å; Y81-H83 PolarHBondContact OH-ND1 2.97Å; H83-P85 WeakPolarHBondContact O-CD 3.31Å; H83-N98 CarbonylContact O-C 3.38Å; H83-N98 WeakPolarHBondContact O-CA 3.49Å; H83-I99 HydrophobicContact CB-CD1 4.36Å; H83-I99 HydrophobicContact CB-CG1 3.88Å; H83-I99 PolarHBondContact N-O 3.33Å; H83-I99 WeakPolarHBondContact O-CG1 3.38Å; H83-I99 PolarHBondContact O-N 3.47Å; H83-F101 HydrophobicContact CB-CE2 3.96Å; H83-D136 IonicContact CE1-OD2 3.75Å; H83-D136 IonicContact NE2-OD1 3.08Å; H83-D136 IonicContact NE2-OD2 3.97Å; H83-D136 PolarHBondContact NE2-OD2 2.88Å
84	S	89.3	Confident	84.8	Confident	74 Å²	74	70.2 Å²	70.2	52%	0.517	38%	0.382	S	S	.	.			trans	-97.9	109.4	168.6	-59.8	0	0	0	0	107.4	N98	S84-N98 PolarHBondContact OG-OD1 3.01Å
85	P	90.2	Very high	85.1	Confident	21 Å²	21	67 Å²	67	14%	0.136	37%	0.369	C	S	.	.			trans	-60.2	146.1	-177.3	-23.9	35.8	0	0	0	112	H83 L87 F89 I99 L141	H83-P85 WeakPolarHBondContact O-CD 3.31Å; P85-L87 VanDerWaalsContact C-N 3.3Å; P85-F89 HydrophobicContact CB-CE1 4.41Å; P85-F89 HydrophobicContact CG-CE1 4.13Å; P85-I99 HydrophobicContact CG-CD1 3.99Å; P85-I99 HydrophobicContact CG-CG1 4.07Å; P85-I99 HydrophobicContact CG-CG2 3.88Å; P85-L141 HydrophobicContact CB-CD2 4.28Å; P85-L141 HydrophobicContact CG-CD2 4.1Å
86	Q	91.6	Very high	85.5	Confident	116 Å²	116	63.5 Å²	63.5	54%	0.542	35%	0.351	S	S	.	.	S	Bend	trans	-66.2	-35.9	171.9	-81	167.4	73.3	0	0	111.8	D136	Q86-D136 VanDerWaalsContact CG-OD2 3.25Å; Q86-D136 WeakPolarHBondContact CG-OD2 3.46Å; Q86-D136 PolarHBondContact N-OD1 3.44Å; Q86-D136 PolarHBondContact N-OD2 3.01Å; Q86-D136 PolarHBondContact NE2-O 2.95Å; Q86-D136 PolarHBondContact NE2-OD2 3.23Å
87	L	91.5	Very high	85.8	Confident	8 Å²	8	62 Å²	62	4%	0.042	34%	0.344	C	S	.	.	S	Bend	trans	-81.3	139.5	178.4	77.4	95.1	0	0	0	111.9	P85 F89 D138 L141	P85-L87 VanDerWaalsContact C-N 3.3Å; L87-F89 HydrophobicContact CD1-CB 3.58Å; L87-F89 HydrophobicContact CD1-CD1 3.27Å; L87-F89 HydrophobicContact CD1-CE1 4.13Å; L87-F89 HydrophobicContact CD1-CG 3.69Å; L87-F89 HydrophobicContact CG-CD1 4.23Å; L87-D138 WeakPolarHBondContact CB-O 3.46Å; L87-L141 HydrophobicContact CD2-CB 3.41Å; L87-L141 VanDerWaalsContact CD2-CB 3.41Å; L87-L141 HydrophobicContact CG-CB 4.35Å
88	S	92.1	Very high	86.4	Confident	83 Å²	83	63.3 Å²	63.3	58%	0.58	35%	0.351	S	S	*	.			trans	-92	119.3	172	166.7	0	0	0	0	110	H95	S88-H95 PolarHBondContact OG-CE1 2.96Å; S88-H95 VanDerWaalsContact OG-CE1 3.22Å
89	F	92.4	Very high	87.3	Confident	5 Å²	5	56.8 Å²	56.8	2%	0.022	32%	0.316	C	S	.	.			trans	-139.9	173.7	177.6	70.4	-72.8	0	0	0	112.2	P85 L87 F91 H95 V96 I99 V111 L141 I164	P85-F89 HydrophobicContact CB-CE1 4.41Å; P85-F89 HydrophobicContact CG-CE1 4.13Å; L87-F89 HydrophobicContact CD1-CB 3.58Å; L87-F89 HydrophobicContact CD1-CD1 3.27Å; L87-F89 HydrophobicContact CD1-CE1 4.13Å; L87-F89 HydrophobicContact CD1-CG 3.69Å; L87-F89 HydrophobicContact CG-CD1 4.23Å; F89-F91 HydrophobicContact CE2-CB 4.38Å; F89-H95 PolarHBondContact O-ND1 3.34Å; F89-H95 VanDerWaalsContact O-ND1 3.1Å; F89-V96 HydrophobicContact CD1-CB 4.25Å; F89-V96 HydrophobicContact CD2-CB 4.42Å; F89-V96 HydrophobicContact CD2-CG2 3.94Å; F89-V96 HydrophobicContact CE1-CB 3.85Å; F89-V96 HydrophobicContact CE1-CG1 3.88Å; F89-V96 HydrophobicContact CE1-CG2 4.3Å; F89-V96 HydrophobicContact CE2-CB 4.01Å; F89-V96 HydrophobicContact CE2-CG1 4.32Å; F89-V96 HydrophobicContact CE2-CG2 3.52Å; F89-V96 HydrophobicContact CZ-CB 3.73Å; F89-V96 HydrophobicContact CZ-CG1 3.65Å; F89-V96 HydrophobicContact CZ-CG2 3.75Å; F89-V96 PolarHBondContact O-N 3.41Å; F89-V96 VanDerWaalsContact O-N 3.08Å; F89-I99 HydrophobicContact CZ-CG2 4.39Å; F89-V111 HydrophobicContact CE2-CG1 4.35Å; F89-V111 HydrophobicContact CZ-CG1 4.43Å; F89-L141 HydrophobicContact CE1-CD2 4.43Å; F89-I164 HydrophobicContact CD1-CG2 4.5Å; F89-I164 HydrophobicContact CD2-CG2 3.62Å; F89-I164 HydrophobicContact CE2-CD1 4.05Å; F89-I164 HydrophobicContact CE2-CG2 3.7Å; F89-I164 HydrophobicContact CG-CG2 4.03Å; F89-I164 HydrophobicContact CZ-CD1 4.04Å; F89-I164 HydrophobicContact CZ-CG2 4.16Å
90	S	91.5	Very high	88.2	Confident	52 Å²	52	54.5 Å²	54.5	36%	0.364	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.2	172.4	-64.3	0	0	0	0	110.9	S94 G168	S90-S94 CarbonylContact C-O 3.51Å; S90-S94 VanDerWaalsContact CA-O 3.28Å; S90-S94 WeakPolarHBondContact CA-O 3.26Å; S90-G168 WeakPolarHBondContact O-CA 3.24Å
91	F	92.1	Very high	88.7	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.7	176.1	-171.2	-102.6	0	0	0	108.9	F89 G93 S94 V96 V111 I120 V170 I190 L191	F89-F91 HydrophobicContact CE2-CB 4.38Å; F91-G93 PolarHBondContact O-N 3.32Å; F91-S94 PolarHBondContact N-O 3.33Å; F91-S94 PolarHBondContact O-N 3.34Å; F91-V96 HydrophobicContact CB-CG2 3.75Å; F91-V111 HydrophobicContact CB-CG1 3.74Å; F91-V111 HydrophobicContact CD1-CB 4.19Å; F91-V111 HydrophobicContact CD1-CG1 4.02Å; F91-V111 HydrophobicContact CG-CB 4.48Å; F91-V111 HydrophobicContact CG-CG1 3.94Å; F91-I120 HydrophobicContact CE2-CD1 4.16Å; F91-I120 HydrophobicContact CE2-CG1 4.06Å; F91-I120 HydrophobicContact CZ-CG1 4.07Å; F91-V170 HydrophobicContact CD2-CG2 4.21Å; F91-V170 HydrophobicContact CE2-CG2 3.97Å; F91-I190 HydrophobicContact CE2-CB 4.45Å; F91-I190 HydrophobicContact CE2-CG2 4.44Å; F91-I190 HydrophobicContact CZ-CB 4.08Å; F91-I190 HydrophobicContact CZ-CG2 4.46Å; F91-L191 WeakPolarHBondContact CE1-O 3.29Å
92	Y	89.4	Confident	88.9	Confident	6 Å²	6	50 Å²	50	2%	0.024	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	38.4	-166.9	-77.9	-88.1	0	0	0	113.6	K55 Y56 S94 I190 R192 H200 I202	K55-Y92 HydrophobicContact CB-CD1 4.47Å; Y56-Y92 HydrophobicContact CD2-CD1 4.06Å; Y56-Y92 AromaticContact CD2-CE1 3.66Å; Y56-Y92 HydrophobicContact CD2-CE1 3.66Å; Y56-Y92 HydrophobicContact CD2-CE2 4.33Å; Y56-Y92 AromaticContact CD2-CZ 3.83Å; Y56-Y92 AromaticContact CE2-CD1 3.59Å; Y56-Y92 HydrophobicContact CE2-CD1 3.59Å; Y56-Y92 AromaticContact CE2-CD2 3.71Å; Y56-Y92 HydrophobicContact CE2-CD2 3.71Å; Y56-Y92 AromaticContact CE2-CE1 3.57Å; Y56-Y92 HydrophobicContact CE2-CE1 3.57Å; Y56-Y92 AromaticContact CE2-CE2 3.71Å; Y56-Y92 HydrophobicContact CE2-CE2 3.71Å; Y56-Y92 AromaticContact CE2-CG 3.67Å; Y56-Y92 HydrophobicContact CE2-CG 3.67Å; Y56-Y92 AromaticContact CE2-CZ 3.66Å; Y56-Y92 PolarHBondContact OH-N 3.42Å; Y92-S94 PolarHBondContact O-N 3.15Å; Y92-I190 HydrophobicContact CE2-CD1 4.42Å; Y92-R192 HydrophobicContact CD1-CB 4.07Å; Y92-R192 HydrophobicContact CD1-CG 4.42Å; Y92-R192 HydrophobicContact CD2-CB 3.82Å; Y92-R192 HydrophobicContact CD2-CG 4.33Å; Y92-R192 HydrophobicContact CE1-CB 4.07Å; Y92-R192 HydrophobicContact CE2-CB 3.8Å; Y92-R192 HydrophobicContact CG-CB 3.94Å; Y92-R192 HydrophobicContact CG-CG 4.13Å; Y92-H200 AromaticContact CE1-CD2 3.5Å; Y92-H200 VanDerWaalsContact CE1-CD2 3.5Å; Y92-H200 WeakPolarHBondContact CE1-CD2 3.09Å; Y92-H200 AromaticContact CZ-CD2 3.74Å; Y92-H200 PolarHBondContact OH-CD2 3.18Å; Y92-H200 VanDerWaalsContact OH-CD2 3.24Å; Y92-I202 WeakPolarHBondContact OH-CD1 3.34Å
93	G	86.7	Confident	88.3	Confident	66 Å²	66	45.9 Å²	45.9	68%	0.68	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	5.6	-178.4	0	0	0	0	0	115.1	F91	F91-G93 PolarHBondContact O-N 3.32Å
94	S	87.5	Confident	87.7	Confident	19 Å²	19	46.2 Å²	46.2	13%	0.133	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.3	177.9	-56.9	0	0	0	0	110.3	S90 F91 Y92 V96 Y116	S90-S94 CarbonylContact C-O 3.51Å; S90-S94 VanDerWaalsContact CA-O 3.28Å; S90-S94 WeakPolarHBondContact CA-O 3.26Å; F91-S94 PolarHBondContact N-O 3.33Å; F91-S94 PolarHBondContact O-N 3.34Å; Y92-S94 PolarHBondContact O-N 3.15Å; S94-V96 PolarHBondContact O-N 3.44Å; S94-Y116 WeakPolarHBondContact OG-CD2 3.3Å
95	H	90.7	Very high	86.5	Confident	97 Å²	97	49.3 Å²	49.3	45%	0.449	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	125.8	176.8	178	56	0	0	0	110.7	S88 F89 G113	S88-H95 PolarHBondContact OG-CE1 2.96Å; S88-H95 VanDerWaalsContact OG-CE1 3.22Å; F89-H95 PolarHBondContact O-ND1 3.34Å; F89-H95 VanDerWaalsContact O-ND1 3.1Å; H95-G113 WeakPolarHBondContact O-CA 3.47Å
96	V	91.3	Very high	85.9	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.048	29%	0.292	C	S	.	.			trans	-85.9	131.1	-176.1	-179.2	0	0	0	0	109.4	F89 F91 S94 I99 V111	F89-V96 HydrophobicContact CD1-CB 4.25Å; F89-V96 HydrophobicContact CD2-CB 4.42Å; F89-V96 HydrophobicContact CD2-CG2 3.94Å; F89-V96 HydrophobicContact CE1-CB 3.85Å; F89-V96 HydrophobicContact CE1-CG1 3.88Å; F89-V96 HydrophobicContact CE1-CG2 4.3Å; F89-V96 HydrophobicContact CE2-CB 4.01Å; F89-V96 HydrophobicContact CE2-CG1 4.32Å; F89-V96 HydrophobicContact CE2-CG2 3.52Å; F89-V96 HydrophobicContact CZ-CB 3.73Å; F89-V96 HydrophobicContact CZ-CG1 3.65Å; F89-V96 HydrophobicContact CZ-CG2 3.75Å; F89-V96 PolarHBondContact O-N 3.41Å; F89-V96 VanDerWaalsContact O-N 3.08Å; F91-V96 HydrophobicContact CB-CG2 3.75Å; S94-V96 PolarHBondContact O-N 3.44Å; V96-I99 HydrophobicContact CG1-CG2 4.14Å; V96-V111 HydrophobicContact CB-CG1 4.08Å; V96-V111 HydrophobicContact CG1-CG1 3.62Å; V96-V111 HydrophobicContact CG2-CG1 3.27Å
97	K	89.5	Confident	85.2	Confident	140 Å²	140	47 Å²	47	61%	0.609	27%	0.266	S	S	*	.			trans	-100.1	-49.1	175.9	-64.5	-172.1	174.9	-174	0	111.7	L112	K97-L112 PolarHBondContact N-O 3.14Å
98	N	89.2	Confident	84.8	Confident	43 Å²	43	46.9 Å²	46.9	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.6	-175.3	-63.3	-19.8	0	0	0	109.6	E82 H83 S84 L112	E82-N98 HydrophobicContact CG-CB 4.4Å; E82-N98 PolarHBondContact OE1-ND2 3.37Å; H83-N98 CarbonylContact O-C 3.38Å; H83-N98 WeakPolarHBondContact O-CA 3.49Å; S84-N98 PolarHBondContact OG-OD1 3.01Å; N98-L112 HydrophobicContact CB-CD1 4.46Å; N98-L112 WeakPolarHBondContact O-CB 3.35Å; N98-L112 PolarHBondContact O-N 3.36Å
99	I	89.2	Confident	84.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.1	167.3	64.5	179	0	0	0	108.9	H83 P85 F89 V96 F101 V109 Y110 L141	H83-I99 HydrophobicContact CB-CD1 4.36Å; H83-I99 HydrophobicContact CB-CG1 3.88Å; H83-I99 PolarHBondContact N-O 3.33Å; H83-I99 WeakPolarHBondContact O-CG1 3.38Å; H83-I99 PolarHBondContact O-N 3.47Å; P85-I99 HydrophobicContact CG-CD1 3.99Å; P85-I99 HydrophobicContact CG-CG1 4.07Å; P85-I99 HydrophobicContact CG-CG2 3.88Å; F89-I99 HydrophobicContact CZ-CG2 4.39Å; V96-I99 HydrophobicContact CG1-CG2 4.14Å; I99-F101 HydrophobicContact CD1-CE1 4.09Å; I99-F101 HydrophobicContact CD1-CE2 3.68Å; I99-F101 HydrophobicContact CD1-CZ 3.28Å; I99-F101 HydrophobicContact CG1-CE2 3.96Å; I99-F101 HydrophobicContact CG1-CZ 4.01Å; I99-V109 HydrophobicContact CB-CG1 4.2Å; I99-Y110 CarbonylContact C-O 3.59Å; I99-Y110 WeakPolarHBondContact CA-O 3.45Å; I99-L141 HydrophobicContact CD1-CD1 3.83Å; I99-L141 HydrophobicContact CD1-CD2 3.56Å; I99-L141 HydrophobicContact CD1-CG 4.26Å; I99-L141 HydrophobicContact CG2-CD2 4.44Å
100	H	87.5	Confident	84.2	Confident	52 Å²	52	44.9 Å²	44.9	24%	0.241	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.2	173	-57.4	-176	0	0	0	109.2	Y81 E82 V109 Y110 L112	Y81-H100 WeakPolarHBondContact O-CA 3.37Å; E82-H100 VanDerWaalsContact CG-CD2 3.49Å; E82-H100 WeakPolarHBondContact CG-CD2 3.45Å; E82-H100 VanDerWaalsContact CG-NE2 3.34Å; E82-H100 WeakPolarHBondContact CG-NE2 3.46Å; E82-H100 IonicContact OE1-CD2 3.98Å; E82-H100 IonicContact OE1-CE1 2.72Å; E82-H100 IonicContact OE1-NE2 3.74Å; E82-H100 PolarHBondContact OE1-NE2 3.34Å; E82-H100 IonicContact OE2-CE1 3.51Å; E82-H100 IonicContact OE2-NE2 3.21Å; H100-V109 WeakPolarHBondContact O-CA 3.49Å; H100-Y110 HydrophobicContact CB-CD2 4.28Å; H100-Y110 PolarHBondContact N-O 2.98Å; H100-Y110 PolarHBondContact O-N 3.34Å; H100-L112 VanDerWaalsContact CE1-CD1 3.43Å; H100-L112 WeakPolarHBondContact CE1-CD1 3.5Å; H100-L112 WeakPolarHBondContact NE2-CD1 3.4Å
101	F	83.9	Confident	83.9	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.4	167.8	-54.6	-78.4	0	0	0	108.3	V77 I80 Y81 H83 I99 V109 F134 V143	V77-F101 HydrophobicContact CG1-CB 3.72Å; V77-F101 HydrophobicContact CG1-CD2 4.48Å; V77-F101 HydrophobicContact CG1-CG 4.19Å; V77-F101 HydrophobicContact CG2-CG 4.47Å; I80-F101 WeakPolarHBondContact CA-O 3.36Å; Y81-F101 AromaticContact CD1-CD2 3.7Å; Y81-F101 HydrophobicContact CD1-CD2 3.7Å; Y81-F101 AromaticContact CD1-CE2 3.95Å; Y81-F101 HydrophobicContact CD1-CE2 3.95Å; Y81-F101 HydrophobicContact CE1-CE2 4.5Å; Y81-F101 HydrophobicContact CG-CD2 4.43Å; Y81-F101 PolarHBondContact N-O 3.2Å; Y81-F101 VanDerWaalsContact N-O 3.09Å; Y81-F101 WeakPolarHBondContact O-CD2 3.27Å; Y81-F101 PolarHBondContact O-N 3.2Å; H83-F101 HydrophobicContact CB-CE2 3.96Å; I99-F101 HydrophobicContact CD1-CE1 4.09Å; I99-F101 HydrophobicContact CD1-CE2 3.68Å; I99-F101 HydrophobicContact CD1-CZ 3.28Å; I99-F101 HydrophobicContact CG1-CE2 3.96Å; I99-F101 HydrophobicContact CG1-CZ 4.01Å; F101-V109 HydrophobicContact CD1-CG1 4.37Å; F101-V109 HydrophobicContact CD1-CG2 3.96Å; F101-V109 HydrophobicContact CE1-CG1 4.12Å; F101-V109 HydrophobicContact CE1-CG2 4.03Å; F101-F134 HydrophobicContact CZ-CB 4.48Å; F101-V143 HydrophobicContact CD1-CG2 4.32Å; F101-V143 HydrophobicContact CE1-CG2 3.46Å; F101-V143 VanDerWaalsContact CE1-CG2 3.46Å; F101-V143 HydrophobicContact CZ-CG2 4.24Å
102	R	81.4	Confident	83.4	Confident	125 Å²	125	44.1 Å²	44.1	47%	0.472	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	105.7	166.5	176.7	-177.6	-70.1	180	-0.7	106.8	G104 P107 I108 Y110	R102-G104 PolarHBondContact O-N 3.4Å; R102-P107 WeakPolarHBondContact O-CA 3.37Å; R102-I108 PolarHBondContact N-O 3.35Å; R102-I108 PolarHBondContact O-N 3.4Å; R102-I108 VanDerWaalsContact O-N 3.07Å; R102-Y110 HydrophobicContact CB-CD2 4.39Å; R102-Y110 HydrophobicContact CB-CE2 3.77Å; R102-Y110 PolarHBondContact NH1-OH 2.97Å
103	D	71.4	Confident	82.6	Confident	17 Å²	17	44 Å²	44	9%	0.091	24%	0.239	C	C	.	.			trans	-95.5	85.1	172.1	-77	-7.1	0	0	0	108.1	V79 F130 T132 R145	V79-D103 WeakPolarHBondContact CG1-O 3.36Å; V79-D103 PolarHBondContact O-N 3.49Å; D103-F130 HydrophobicContact CB-CE2 4Å; D103-F130 HydrophobicContact CB-CZ 4.08Å; D103-T132 PolarHBondContact OD1-OG1 3.11Å; D103-T132 WeakPolarHBondContact OD2-CB 3.45Å; D103-T132 PolarHBondContact OD2-OG1 3.14Å; D103-R145 IonicContact OD1-NE 3.91Å; D103-R145 IonicContact OD1-NH2 3.12Å
104	G	72.7	Confident	81.8	Confident	31 Å²	31	43.7 Å²	43.7	32%	0.32	24%	0.236	S	C	.	.	S	Bend	trans	-125.4	-151.2	173.7	0	0	0	0	0	110.9	R102 Q106 F130	R102-G104 PolarHBondContact O-N 3.4Å; G104-Q106 PolarHBondContact O-N 3.27Å; G104-Q106 VanDerWaalsContact O-N 3.16Å; G104-F130 WeakPolarHBondContact O-CZ 3.4Å
105	V	65.7	Low	80.8	Confident	139 Å²	139	46 Å²	46	84%	0.842	25%	0.25	S	C	*	.	S	Bend	trans	-54.3	-35.1	175.2	-179.4	0	0	0	0	111.7
106	Q	76.3	Confident	79.8	Confident	88 Å²	88	45.4 Å²	45.4	41%	0.411	25%	0.245	S	C	.	.	S	Bend	trans	-121.3	105.7	174	-66.4	176.6	-16	0	0	108.1	G104 I108 Y123	G104-Q106 PolarHBondContact O-N 3.27Å; G104-Q106 VanDerWaalsContact O-N 3.16Å; Q106-I108 HydrophobicContact CB-CD1 4Å; Q106-I108 HydrophobicContact CB-CG1 4.28Å; Q106-I108 PolarHBondContact O-N 3.09Å; Q106-Y123 HydrophobicContact CB-CE1 4.38Å; Q106-Y123 HydrophobicContact CB-CE2 4.24Å; Q106-Y123 HydrophobicContact CG-CE2 3.99Å; Q106-Y123 WeakPolarHBondContact CG-OH 3.39Å
107	P	76.5	Confident	79.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.			trans	-79.8	111.8	-179	31.6	-33.4	0	0	0	110.4	R102 Y123 F130 R145 F147	R102-P107 WeakPolarHBondContact O-CA 3.37Å; P107-Y123 HydrophobicContact CG-CG 4.08Å; P107-F130 HydrophobicContact CB-CE2 3.85Å; P107-F130 HydrophobicContact CB-CZ 3.96Å; P107-F130 HydrophobicContact CG-CE2 4.13Å; P107-F130 HydrophobicContact CG-CZ 4.18Å; P107-R145 PolarHBondContact O-NH1 3.07Å; P107-F147 HydrophobicContact CG-CE1 4.14Å; P107-F147 HydrophobicContact CG-CZ 4.19Å
108	I	84.1	Confident	79.5	Confident	5 Å²	5	43 Å²	43	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143	-169.5	-62.7	164.5	0	0	0	109.5	R102 Q106 Y110 E119	R102-I108 PolarHBondContact N-O 3.35Å; R102-I108 PolarHBondContact O-N 3.4Å; R102-I108 VanDerWaalsContact O-N 3.07Å; Q106-I108 HydrophobicContact CB-CD1 4Å; Q106-I108 HydrophobicContact CB-CG1 4.28Å; Q106-I108 PolarHBondContact O-N 3.09Å; I108-Y110 HydrophobicContact CB-CE2 4.24Å; I108-Y110 HydrophobicContact CG2-CD2 4.35Å; I108-Y110 HydrophobicContact CG2-CE1 4.29Å; I108-Y110 HydrophobicContact CG2-CE2 4.11Å; I108-E119 HydrophobicContact CG2-CB 3.99Å; I108-E119 HydrophobicContact CG2-CG 4.41Å
109	V	86.3	Confident	79.7	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.4	167.2	-172.4	0	0	0	0	108.2	I99 H100 F101 E119 I120 V143	I99-V109 HydrophobicContact CB-CG1 4.2Å; H100-V109 WeakPolarHBondContact O-CA 3.49Å; F101-V109 HydrophobicContact CD1-CG1 4.37Å; F101-V109 HydrophobicContact CD1-CG2 3.96Å; F101-V109 HydrophobicContact CE1-CG1 4.12Å; F101-V109 HydrophobicContact CE1-CG2 4.03Å; V109-E119 WeakPolarHBondContact O-CA 3.41Å; V109-I120 HydrophobicContact CB-CB 4.23Å; V109-I120 PolarHBondContact N-O 3.08Å; V109-I120 PolarHBondContact O-N 3.48Å; V109-V143 HydrophobicContact CG2-CG2 4.07Å
110	Y	85.1	Confident	80	Confident	41 Å²	41	42.5 Å²	42.5	16%	0.161	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.6	170.7	-62.4	-85.5	0	0	0	109.4	I99 H100 R102 I108 E119	I99-Y110 CarbonylContact C-O 3.59Å; I99-Y110 WeakPolarHBondContact CA-O 3.45Å; H100-Y110 HydrophobicContact CB-CD2 4.28Å; H100-Y110 PolarHBondContact N-O 2.98Å; H100-Y110 PolarHBondContact O-N 3.34Å; R102-Y110 HydrophobicContact CB-CD2 4.39Å; R102-Y110 HydrophobicContact CB-CE2 3.77Å; R102-Y110 PolarHBondContact NH1-OH 2.97Å; I108-Y110 HydrophobicContact CB-CE2 4.24Å; I108-Y110 HydrophobicContact CG2-CD2 4.35Å; I108-Y110 HydrophobicContact CG2-CE1 4.29Å; I108-Y110 HydrophobicContact CG2-CE2 4.11Å; Y110-E119 HydrophobicContact CD1-CG 3.8Å; Y110-E119 HydrophobicContact CE1-CG 3.98Å; Y110-E119 VanDerWaalsContact CE1-OE1 3.25Å; Y110-E119 WeakPolarHBondContact CE1-OE1 3.12Å
111	V	84.7	Confident	80.4	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.4	-178.6	-178.8	0	0	0	0	108	F89 F91 V96 G118 I120	F89-V111 HydrophobicContact CE2-CG1 4.35Å; F89-V111 HydrophobicContact CZ-CG1 4.43Å; F91-V111 HydrophobicContact CB-CG1 3.74Å; F91-V111 HydrophobicContact CD1-CB 4.19Å; F91-V111 HydrophobicContact CD1-CG1 4.02Å; F91-V111 HydrophobicContact CG-CB 4.48Å; F91-V111 HydrophobicContact CG-CG1 3.94Å; V96-V111 HydrophobicContact CB-CG1 4.08Å; V96-V111 HydrophobicContact CG1-CG1 3.62Å; V96-V111 HydrophobicContact CG2-CG1 3.27Å; V111-G118 PolarHBondContact N-O 2.67Å; V111-G118 PolarHBondContact O-N 2.97Å; V111-I120 HydrophobicContact CG2-CD1 3.9Å; V111-I120 HydrophobicContact CG2-CG1 4.13Å
112	L	81.7	Confident	80.9	Confident	40 Å²	40	40.6 Å²	40.6	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111	-172.6	-58.1	178.2	0	0	0	110.8	K97 N98 H100 H117	K97-L112 PolarHBondContact N-O 3.14Å; N98-L112 HydrophobicContact CB-CD1 4.46Å; N98-L112 WeakPolarHBondContact O-CB 3.35Å; N98-L112 PolarHBondContact O-N 3.36Å; H100-L112 VanDerWaalsContact CE1-CD1 3.43Å; H100-L112 WeakPolarHBondContact CE1-CD1 3.5Å; H100-L112 WeakPolarHBondContact NE2-CD1 3.4Å; L112-H117 WeakPolarHBondContact CD2-ND1 3.42Å
113	G	73.4	Confident	81.6	Confident	5 Å²	5	34.8 Å²	34.8	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	95.6	-177.8	0	0	0	0	0	112.6	H95 Y116	H95-G113 WeakPolarHBondContact O-CA 3.47Å; G113-Y116 PolarHBondContact N-O 2.99Å; G113-Y116 VanDerWaalsContact N-O 3.14Å; G113-Y116 PolarHBondContact O-N 3.39Å; G113-Y116 VanDerWaalsContact O-N 3.11Å
114	G	70	Confident	82.7	Confident	59 Å²	59	34 Å²	34	61%	0.608	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	-130.3	179.7	0	0	0	0	0	112.1	Y116	G114-Y116 PolarHBondContact O-N 3.09Å
115	P	65.6	Low	83.6	Confident	66 Å²	66	35.3 Å²	35.3	43%	0.429	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.8	176.6	35.9	-35.7	0	0	0	113.5
116	Y	69.3	Low	84.5	Confident	86 Å²	86	34.6 Å²	34.6	34%	0.337	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143	-173.3	-53.3	-71	0	0	0	111.1	S94 G113 G114	S94-Y116 WeakPolarHBondContact OG-CD2 3.3Å; G113-Y116 PolarHBondContact N-O 2.99Å; G113-Y116 VanDerWaalsContact N-O 3.14Å; G113-Y116 PolarHBondContact O-N 3.39Å; G113-Y116 VanDerWaalsContact O-N 3.11Å; G114-Y116 PolarHBondContact O-N 3.09Å
117	H	83.6	Confident	85	Confident	95 Å²	95	32 Å²	32	44%	0.44	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.2	177.5	-57.5	-79.2	0	0	0	108.6	L112 V193	L112-H117 WeakPolarHBondContact CD2-ND1 3.42Å; H117-V193 HydrophobicContact CB-CB 4.19Å; H117-V193 HydrophobicContact CB-CG2 4.19Å; H117-V193 PolarHBondContact O-N 3.32Å
118	G	91.8	Very high	85.5	Confident	3 Å²	3	37.4 Å²	37.4	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	157.4	171.8	0	0	0	0	0	110.8	V111 L191	V111-G118 PolarHBondContact N-O 2.67Å; V111-G118 PolarHBondContact O-N 2.97Å; G118-L191 CarbonylContact C-O 3.6Å; G118-L191 VanDerWaalsContact CA-O 3.3Å; G118-L191 WeakPolarHBondContact CA-O 3.31Å
119	E	93.6	Very high	85.8	Confident	29 Å²	29	43 Å²	43	14%	0.136	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.3	173	-49.9	-177.4	-175.4	0	0	110.8	I108 V109 Y110 H121 L191	I108-E119 HydrophobicContact CG2-CB 3.99Å; I108-E119 HydrophobicContact CG2-CG 4.41Å; V109-E119 WeakPolarHBondContact O-CA 3.41Å; Y110-E119 HydrophobicContact CD1-CG 3.8Å; Y110-E119 HydrophobicContact CE1-CG 3.98Å; Y110-E119 VanDerWaalsContact CE1-OE1 3.25Å; Y110-E119 WeakPolarHBondContact CE1-OE1 3.12Å; E119-H121 IonicContact OE2-CD2 3.42Å; E119-H121 IonicContact OE2-CE1 2.67Å; E119-H121 IonicContact OE2-NE2 3.32Å; E119-H121 PolarHBondContact OE2-NE2 3.25Å; E119-L191 HydrophobicContact CB-CB 3.93Å; E119-L191 HydrophobicContact CB-CD2 4.07Å; E119-L191 HydrophobicContact CG-CD2 3.87Å; E119-L191 PolarHBondContact N-O 3.29Å; E119-L191 PolarHBondContact O-N 2.84Å
120	I	95.2	Very high	86	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.1	173.7	-59.6	172.9	0	0	0	107.1	F91 V109 V111 I164 V170 F172 I190	F91-I120 HydrophobicContact CE2-CD1 4.16Å; F91-I120 HydrophobicContact CE2-CG1 4.06Å; F91-I120 HydrophobicContact CZ-CG1 4.07Å; V109-I120 HydrophobicContact CB-CB 4.23Å; V109-I120 PolarHBondContact N-O 3.08Å; V109-I120 PolarHBondContact O-N 3.48Å; V111-I120 HydrophobicContact CG2-CD1 3.9Å; V111-I120 HydrophobicContact CG2-CG1 4.13Å; I120-I164 HydrophobicContact CD1-CD1 3.51Å; I120-I164 HydrophobicContact CD1-CG1 4.3Å; I120-V170 HydrophobicContact CD1-CG1 4.14Å; I120-V170 HydrophobicContact CD1-CG2 4.15Å; I120-V170 HydrophobicContact CG2-CG1 4.3Å; I120-F172 HydrophobicContact CG2-CE1 3.47Å; I120-F172 VanDerWaalsContact CG2-CE1 3.47Å; I120-F172 HydrophobicContact CG2-CZ 3.65Å; I120-I190 HydrophobicContact CG1-CG2 4.39Å
121	H	95.4	Very high	86.3	Confident	12 Å²	12	47.2 Å²	47.2	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.4	-178.9	-69.7	-143.7	0	0	0	107.3	E119 Y123 S188 K189	E119-H121 IonicContact OE2-CD2 3.42Å; E119-H121 IonicContact OE2-CE1 2.67Å; E119-H121 IonicContact OE2-NE2 3.32Å; E119-H121 PolarHBondContact OE2-NE2 3.25Å; H121-Y123 HydrophobicContact CB-CD1 4.27Å; H121-Y123 HydrophobicContact CB-CE1 3.92Å; H121-Y123 AromaticContact ND1-CE1 3.71Å; H121-S188 CarbonylContact O-C 3.57Å; H121-S188 VanDerWaalsContact O-CA 3.28Å; H121-S188 WeakPolarHBondContact O-CA 3.33Å; H121-K189 HydrophobicContact CB-CD 4.49Å; H121-K189 HydrophobicContact CB-CG 3.6Å; H121-K189 PolarHBondContact N-O 2.89Å; H121-K189 WeakPolarHBondContact ND1-CE 3.29Å; H121-K189 PolarHBondContact O-N 2.87Å
122	N	96.3	Very high	86.6	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	89.7	174.7	-170.1	12.9	0	0	0	108	R145 M160 T161 S162 F172 Y174 Q187 S188	N122-R145 PolarHBondContact O-NH1 3.08Å; N122-M160 PolarHBondContact OD1-SD 2.98Å; N122-M160 VanDerWaalsContact OD1-SD 3.38Å; N122-T161 PolarHBondContact ND2-O 3.19Å; N122-T161 VanDerWaalsContact ND2-O 3.16Å; N122-S162 WeakPolarHBondContact CB-OG 3.22Å; N122-S162 PolarHBondContact ND2-OG 3.14Å; N122-F172 HydrophobicContact CB-CD1 4.31Å; N122-F172 HydrophobicContact CB-CE1 4.28Å; N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; N122-Q187 CarbonylContact C-O 3.51Å; N122-Q187 VanDerWaalsContact CA-O 3.22Å; N122-Q187 WeakPolarHBondContact CA-O 3.25Å; N122-S188 PolarHBondContact OD1-OG 3Å; N122-S188 VanDerWaalsContact OD1-OG 3.09Å
123	Y	94.9	Very high	87.1	Confident	2 Å²	2	46 Å²	46	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	168	-173.5	66.5	-90.9	0	0	0	113.5	Q106 P107 H121 E125 F147 M160 Q187	Q106-Y123 HydrophobicContact CB-CE1 4.38Å; Q106-Y123 HydrophobicContact CB-CE2 4.24Å; Q106-Y123 HydrophobicContact CG-CE2 3.99Å; Q106-Y123 WeakPolarHBondContact CG-OH 3.39Å; P107-Y123 HydrophobicContact CG-CG 4.08Å; H121-Y123 HydrophobicContact CB-CD1 4.27Å; H121-Y123 HydrophobicContact CB-CE1 3.92Å; H121-Y123 AromaticContact ND1-CE1 3.71Å; Y123-E125 HydrophobicContact CD2-CG 4.14Å; Y123-E125 HydrophobicContact CE2-CG 3.56Å; Y123-F147 VanDerWaalsContact CA-CZ 3.43Å; Y123-M160 VanDerWaalsContact C-SD 3.57Å; Y123-Q187 HydrophobicContact CD1-CB 4.06Å; Y123-Q187 HydrophobicContact CD2-CB 4.04Å; Y123-Q187 HydrophobicContact CD2-CG 4.36Å; Y123-Q187 HydrophobicContact CE1-CB 3.76Å; Y123-Q187 HydrophobicContact CE1-CG 4.46Å; Y123-Q187 HydrophobicContact CE2-CB 3.74Å; Y123-Q187 HydrophobicContact CE2-CG 3.74Å; Y123-Q187 HydrophobicContact CG-CB 4.18Å; Y123-Q187 PolarHBondContact N-O 3.4Å; Y123-Q187 PolarHBondContact O-N 3.4Å
124	I	94.5	Very high	87.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.1	176.1	-56.4	176.8	0	0	0	108.7	N127 F147 I149 A158 M160 I177 I181 K185 L186	I124-N127 PolarHBondContact O-ND2 3.49Å; I124-F147 HydrophobicContact CB-CB 4.4Å; I124-F147 HydrophobicContact CB-CD1 4.28Å; I124-F147 HydrophobicContact CB-CD2 4.32Å; I124-F147 HydrophobicContact CB-CG 4.07Å; I124-F147 HydrophobicContact CD1-CB 4.22Å; I124-F147 HydrophobicContact CD1-CD2 4.06Å; I124-F147 HydrophobicContact CD1-CG 4.29Å; I124-F147 HydrophobicContact CG1-CD2 4.04Å; I124-F147 HydrophobicContact CG1-CE2 4.45Å; I124-F147 HydrophobicContact CG1-CG 4.26Å; I124-I149 HydrophobicContact CB-CD1 4.33Å; I124-I149 HydrophobicContact CD1-CD1 3.44Å; I124-I149 VanDerWaalsContact CD1-CD1 3.44Å; I124-I149 HydrophobicContact CG1-CD1 4.44Å; I124-I149 HydrophobicContact CG2-CD1 3.82Å; I124-I149 HydrophobicContact CG2-CG1 4.32Å; I124-A158 HydrophobicContact CD1-CB 3.7Å; I124-M160 HydrophobicContact CD1-CE 3.73Å; I124-M160 HydrophobicContact CD1-CG 4.42Å; I124-M160 HydrophobicContact CD1-SD 4.14Å; I124-M160 HydrophobicContact CG1-CE 3.38Å; I124-M160 HydrophobicContact CG1-CG 4.46Å; I124-M160 HydrophobicContact CG1-SD 3.59Å; I124-M160 VanDerWaalsContact CG1-SD 3.59Å; I124-I177 HydrophobicContact CD1-CD1 4.19Å; I124-I181 HydrophobicContact CG2-CD1 3.65Å; I124-K185 WeakPolarHBondContact CA-O 3.37Å; I124-L186 HydrophobicContact CD1-CD2 4.14Å; I124-L186 HydrophobicContact CG1-CD2 3.91Å; I124-L186 HydrophobicContact CG2-CD2 4.39Å
125	E	91.6	Very high	89	Confident	59 Å²	59	44.2 Å²	44.2	28%	0.276	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	153.7	174.3	-70	-174.1	176.5	0	0	112	Y123 N127 K185 Q187	Y123-E125 HydrophobicContact CD2-CG 4.14Å; Y123-E125 HydrophobicContact CE2-CG 3.56Å; E125-N127 PolarHBondContact O-N 3.39Å; E125-K185 HydrophobicContact CB-CB 4.25Å; E125-K185 PolarHBondContact N-O 3.47Å; E125-Q187 HydrophobicContact CG-CG 3.99Å
126	N	85.2	Confident	90.2	Very high	124 Å²	124	41.9 Å²	41.9	66%	0.663	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	35.1	178.6	-56.1	-45.7	0	0	0	113.7	K185	N126-K185 HydrophobicContact CB-CD 4.42Å
127	N	86.8	Confident	91.3	Very high	33 Å²	33	41 Å²	41	18%	0.176	20%	0.199	C	C	.	.			trans	-73	157.5	166.3	66.1	82.9	0	0	0	110.6	I124 E125 K129 F147 I149	I124-N127 PolarHBondContact O-ND2 3.49Å; E125-N127 PolarHBondContact O-N 3.39Å; N127-K129 VanDerWaalsContact OD1-C 3.32Å; N127-K129 PolarHBondContact OD1-O 3.4Å; N127-F147 HydrophobicContact CB-CB 4.26Å; N127-F147 HydrophobicContact CB-CD1 4.03Å; N127-I149 HydrophobicContact CB-CG1 4.47Å
128	E	86	Confident	91.7	Very high	114 Å²	114	42 Å²	42	53%	0.533	21%	0.209	S	C	.	.	S	Bend	trans	-78.6	-42.5	176.4	-65.1	-171.8	173.1	0	0	111.6	S148 N150	E128-S148 PolarHBondContact N-O 2.8Å; E128-N150 WeakPolarHBondContact OE1-CB 3.16Å; E128-N150 PolarHBondContact OE1-ND2 3.47Å
129	K	90.3	Very high	91.7	Very high	122 Å²	122	50 Å²	50	53%	0.53	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	157.1	176.6	63.1	-174.5	-179.6	-132.3	0	108.9	N127 S148 E155	N127-K129 VanDerWaalsContact OD1-C 3.32Å; N127-K129 PolarHBondContact OD1-O 3.4Å; K129-S148 VanDerWaalsContact CG-CB 3.47Å; K129-S148 PolarHBondContact O-N 3.09Å; K129-E155 WeakPolarHBondContact CE-OE1 3.28Å; K129-E155 IonicContact NZ-OE1 3.81Å; K129-E155 PolarHBondContact NZ-OE1 2.9Å; K129-E155 IonicContact NZ-OE2 3.57Å
130	F	91.4	Very high	91.7	Very high	59 Å²	59	50 Å²	50	26%	0.259	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.4	168.4	71.2	-85.5	0	0	0	111	D103 G104 P107 N146 F147	D103-F130 HydrophobicContact CB-CE2 4Å; D103-F130 HydrophobicContact CB-CZ 4.08Å; G104-F130 WeakPolarHBondContact O-CZ 3.4Å; P107-F130 HydrophobicContact CB-CE2 3.85Å; P107-F130 HydrophobicContact CB-CZ 3.96Å; P107-F130 HydrophobicContact CG-CE2 4.13Å; P107-F130 HydrophobicContact CG-CZ 4.18Å; F130-N146 WeakPolarHBondContact CA-O 3.3Å; F130-N146 WeakPolarHBondContact CB-O 3.13Å; F130-F147 HydrophobicContact CB-CD1 3.51Å; F130-F147 HydrophobicContact CB-CE1 3.78Å; F130-F147 HydrophobicContact CB-CG 4.28Å; F130-F147 HydrophobicContact CD1-CE1 4.48Å; F130-F147 HydrophobicContact CD2-CE1 4.41Å; F130-F147 HydrophobicContact CG-CD1 4.19Å; F130-F147 AromaticContact CG-CE1 3.99Å; F130-F147 HydrophobicContact CG-CE1 3.99Å
131	D	90.5	Very high	91.7	Very high	77 Å²	77	50 Å²	50	41%	0.412	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.6	167.3	58.1	-73.4	0	0	0	110.2	R145 N146	D131-R145 VanDerWaalsContact O-CA 3.3Å; D131-R145 WeakPolarHBondContact O-CA 3.1Å; D131-N146 PolarHBondContact N-O 2.89Å; D131-N146 PolarHBondContact O-N 3.41Å; D131-N146 WeakPolarHBondContact OD1-CB 3.28Å; D131-N146 PolarHBondContact OD2-ND2 2.81Å
132	T	91.7	Very high	91.6	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.4	176.1	-55.5	0	0	0	0	109.4	V77 D103 V143 Q144 R145	V77-T132 HydrophobicContact CB-CG2 4.14Å; V77-T132 HydrophobicContact CG2-CG2 3.92Å; V77-T132 PolarHBondContact N-O 3.36Å; D103-T132 PolarHBondContact OD1-OG1 3.11Å; D103-T132 WeakPolarHBondContact OD2-CB 3.45Å; D103-T132 PolarHBondContact OD2-OG1 3.14Å; T132-V143 HydrophobicContact CG2-CG1 3.65Å; T132-Q144 WeakPolarHBondContact CA-O 3.34Å; T132-R145 HydrophobicContact CG2-CG 4.1Å
133	A	91.8	Very high	91.5	Very high	9 Å²	9	49.7 Å²	49.7	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145	169.7	0	0	0	0	0	110	F73 N75 V143 Q144	F73-A133 HydrophobicContact CB-CB 3.74Å; N75-A133 CarbonylContact O-C 3.6Å; N75-A133 VanDerWaalsContact O-CA 3.24Å; N75-A133 WeakPolarHBondContact O-CA 3.39Å; A133-V143 WeakPolarHBondContact O-CA 3.42Å; A133-Q144 PolarHBondContact N-O 2.95Å; A133-Q144 PolarHBondContact O-N 2.9Å
134	F	90.7	Very high	91.5	Very high	16 Å²	16	50 Å²	50	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.1	179.6	84.7	-90.8	0	0	0	112.5	N75 V77 Y81 F101 D136 G142	N75-F134 HydrophobicContact CB-CD1 3.41Å; N75-F134 VanDerWaalsContact CB-CD1 3.41Å; N75-F134 HydrophobicContact CB-CD2 4.31Å; N75-F134 HydrophobicContact CB-CE1 3.13Å; N75-F134 HydrophobicContact CB-CE2 4.06Å; N75-F134 HydrophobicContact CB-CG 4.02Å; N75-F134 HydrophobicContact CB-CZ 3.48Å; N75-F134 VanDerWaalsContact CB-CZ 3.48Å; N75-F134 PolarHBondContact N-O 2.79Å; N75-F134 WeakPolarHBondContact ND2-CE2 3.34Å; N75-F134 WeakPolarHBondContact ND2-CZ 3.33Å; N75-F134 VanDerWaalsContact O-CD1 3.31Å; N75-F134 WeakPolarHBondContact O-CD1 3.35Å; N75-F134 PolarHBondContact O-N 3.4Å; V77-F134 HydrophobicContact CG2-CB 4.26Å; V77-F134 HydrophobicContact CG2-CD1 3.59Å; V77-F134 HydrophobicContact CG2-CE1 4.4Å; V77-F134 HydrophobicContact CG2-CG 4.33Å; Y81-F134 HydrophobicContact CE1-CE1 4.12Å; Y81-F134 HydrophobicContact CE1-CZ 4.1Å; F101-F134 HydrophobicContact CZ-CB 4.48Å; F134-D136 HydrophobicContact CD2-CB 4.17Å; F134-D136 HydrophobicContact CE2-CB 4Å; F134-G142 CarbonylContact C-O 3.57Å; F134-G142 VanDerWaalsContact CA-O 3.25Å; F134-G142 WeakPolarHBondContact CA-O 3.46Å; F134-G142 WeakPolarHBondContact CB-O 3.23Å
135	L	92.7	Very high	91.5	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.6	175.7	174.7	67	0	0	0	107.2	V68 R72 F73 E137 L140 L141 G142	V68-L135 HydrophobicContact CG1-CD2 4.03Å; R72-L135 HydrophobicContact CB-CD1 4.46Å; R72-L135 HydrophobicContact CB-CD2 4.4Å; F73-L135 HydrophobicContact CD1-CB 3.87Å; F73-L135 HydrophobicContact CE1-CB 3.99Å; F73-L135 HydrophobicContact CG-CB 4.47Å; L135-E137 HydrophobicContact CD1-CG 3.85Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.32Å; L135-E137 HydrophobicContact CG-CG 4.27Å; L135-L140 HydrophobicContact CD2-CD2 3.96Å; L135-L140 HydrophobicContact CD2-CG 4.5Å; L135-L141 CarbonylContact O-C 3.58Å; L135-L141 WeakPolarHBondContact O-CA 3.39Å; L135-G142 PolarHBondContact N-O 2.92Å; L135-G142 PolarHBondContact O-N 2.89Å
136	D	92	Very high	91.7	Very high	17 Å²	17	48.7 Å²	48.7	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	112.6	175	178.2	49.7	0	0	0	109.2	H83 Q86 F134 L141	H83-D136 IonicContact CE1-OD2 3.75Å; H83-D136 IonicContact NE2-OD1 3.08Å; H83-D136 IonicContact NE2-OD2 3.97Å; H83-D136 PolarHBondContact NE2-OD2 2.88Å; Q86-D136 VanDerWaalsContact CG-OD2 3.25Å; Q86-D136 WeakPolarHBondContact CG-OD2 3.46Å; Q86-D136 PolarHBondContact N-OD1 3.44Å; Q86-D136 PolarHBondContact N-OD2 3.01Å; Q86-D136 PolarHBondContact NE2-O 2.95Å; Q86-D136 PolarHBondContact NE2-OD2 3.23Å; F134-D136 HydrophobicContact CD2-CB 4.17Å; F134-D136 HydrophobicContact CE2-CB 4Å; D136-L141 HydrophobicContact CB-CD1 4.09Å
137	E	92.4	Very high	92.1	Very high	66 Å²	66	42.8 Å²	42.8	31%	0.308	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160	-179.1	-61.1	179.8	165.4	0	0	109.1	R72 L135 K139 L140	R72-E137 IonicContact CZ-OE1 3.6Å; R72-E137 IonicContact CZ-OE2 2.82Å; R72-E137 IonicContact NE-OE1 3.24Å; R72-E137 IonicContact NH2-OE1 2.65Å; R72-E137 PolarHBondContact NH2-OE1 3.42Å; R72-E137 IonicContact NH2-OE2 3.51Å; R72-E137 PolarHBondContact NH2-OE2 3.2Å; L135-E137 HydrophobicContact CD1-CG 3.85Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.32Å; L135-E137 HydrophobicContact CG-CG 4.27Å; E137-K139 PolarHBondContact O-N 3.36Å; E137-L140 PolarHBondContact N-O 3.21Å; E137-L140 PolarHBondContact O-N 3.26Å; E137-L140 VanDerWaalsContact O-N 3.11Å
138	D	90.4	Very high	92.5	Very high	118 Å²	118	41.4 Å²	41.4	63%	0.631	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.1	-179.1	-64.7	-26.1	0	0	0	115	L87	L87-D138 WeakPolarHBondContact CB-O 3.46Å
139	K	92.6	Very high	92.9	Very high	169 Å²	169	36.4 Å²	36.4	74%	0.735	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-0.3	-175.2	-63.2	-174.1	-179.2	-179.9	0	114	E137 P166	E137-K139 PolarHBondContact O-N 3.36Å; K139-P166 WeakPolarHBondContact O-CD 3.49Å
140	L	94.4	Very high	92.9	Very high	29 Å²	29	34.6 Å²	34.6	15%	0.152	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	127.3	-175.8	-165.7	64.4	0	0	0	111.4	V68 L135 E137 L163	V68-L140 HydrophobicContact CG2-CD2 3.56Å; L135-L140 HydrophobicContact CD2-CD2 3.96Å; L135-L140 HydrophobicContact CD2-CG 4.5Å; E137-L140 PolarHBondContact N-O 3.21Å; E137-L140 PolarHBondContact O-N 3.26Å; E137-L140 VanDerWaalsContact O-N 3.11Å; L140-L163 HydrophobicContact CD1-CB 4.25Å; L140-L163 HydrophobicContact CD1-CD2 4.4Å; L140-L163 HydrophobicContact CD2-CD2 4.39Å; L140-L163 HydrophobicContact CG-CD2 4.45Å
141	L	93.8	Very high	92.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.7	166.9	173	71.7	0	0	0	106.8	P85 L87 F89 I99 L135 D136 L163 I164	P85-L141 HydrophobicContact CB-CD2 4.28Å; P85-L141 HydrophobicContact CG-CD2 4.1Å; L87-L141 HydrophobicContact CD2-CB 3.41Å; L87-L141 VanDerWaalsContact CD2-CB 3.41Å; L87-L141 HydrophobicContact CG-CB 4.35Å; F89-L141 HydrophobicContact CE1-CD2 4.43Å; I99-L141 HydrophobicContact CD1-CD1 3.83Å; I99-L141 HydrophobicContact CD1-CD2 3.56Å; I99-L141 HydrophobicContact CD1-CG 4.26Å; I99-L141 HydrophobicContact CG2-CD2 4.44Å; L135-L141 CarbonylContact O-C 3.58Å; L135-L141 WeakPolarHBondContact O-CA 3.39Å; D136-L141 HydrophobicContact CB-CD1 4.09Å; L141-L163 CarbonylContact O-C 3.52Å; L141-L163 WeakPolarHBondContact O-CA 3.31Å; L141-I164 HydrophobicContact CB-CB 4.33Å; L141-I164 HydrophobicContact CD2-CD1 4.06Å; L141-I164 PolarHBondContact N-O 3.34Å; L141-I164 PolarHBondContact O-N 2.91Å
142	G	94.6	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.1	-176.2	0	0	0	0	0	112.2	F134 L135 S162	F134-G142 CarbonylContact C-O 3.57Å; F134-G142 VanDerWaalsContact CA-O 3.25Å; F134-G142 WeakPolarHBondContact CA-O 3.46Å; F134-G142 WeakPolarHBondContact CB-O 3.23Å; L135-G142 PolarHBondContact N-O 2.92Å; L135-G142 PolarHBondContact O-N 2.89Å; G142-S162 CarbonylContact C-O 3.58Å; G142-S162 VanDerWaalsContact CA-O 3.27Å; G142-S162 WeakPolarHBondContact CA-O 3.44Å
143	V	94	Very high	92.5	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	121.7	171.6	-171.4	0	0	0	0	107.6	F101 V109 T132 A133 R145 T161 S162	F101-V143 HydrophobicContact CD1-CG2 4.32Å; F101-V143 HydrophobicContact CE1-CG2 3.46Å; F101-V143 VanDerWaalsContact CE1-CG2 3.46Å; F101-V143 HydrophobicContact CZ-CG2 4.24Å; V109-V143 HydrophobicContact CG2-CG2 4.07Å; T132-V143 HydrophobicContact CG2-CG1 3.65Å; A133-V143 WeakPolarHBondContact O-CA 3.42Å; V143-R145 HydrophobicContact CG1-CG 4.36Å; V143-T161 CarbonylContact O-C 3.36Å; V143-T161 WeakPolarHBondContact O-CA 3.45Å; V143-S162 PolarHBondContact N-O 2.99Å; V143-S162 PolarHBondContact O-N 2.84Å
144	Q	95.1	Very high	92.5	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.9	173.3	-179.5	173.5	91.6	0	0	108.9	Q66 S70 F73 T132 A133 T159 T161	Q66-Q144 VanDerWaalsContact NE2-NE2 3.2Å; S70-Q144 PolarHBondContact OG-NE2 3.41Å; F73-Q144 HydrophobicContact CB-CB 4.25Å; F73-Q144 HydrophobicContact CD1-CB 3.59Å; F73-Q144 HydrophobicContact CD2-CB 4.06Å; F73-Q144 HydrophobicContact CE1-CB 3.84Å; F73-Q144 HydrophobicContact CE2-CB 4.29Å; F73-Q144 HydrophobicContact CG-CB 3.7Å; F73-Q144 HydrophobicContact CZ-CB 4.19Å; T132-Q144 WeakPolarHBondContact CA-O 3.34Å; A133-Q144 PolarHBondContact N-O 2.95Å; A133-Q144 PolarHBondContact O-N 2.9Å; Q144-T159 HydrophobicContact CG-CG2 3.58Å; Q144-T161 PolarHBondContact NE2-OG1 3.47Å
145	R	94.1	Very high	92.5	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.011	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.1	175.5	-65	-173.7	177.1	118.4	-5.7	110.1	D103 P107 N122 D131 T132 V143 F147 T159 M160	D103-R145 IonicContact OD1-NE 3.91Å; D103-R145 IonicContact OD1-NH2 3.12Å; P107-R145 PolarHBondContact O-NH1 3.07Å; N122-R145 PolarHBondContact O-NH1 3.08Å; D131-R145 VanDerWaalsContact O-CA 3.3Å; D131-R145 WeakPolarHBondContact O-CA 3.1Å; T132-R145 HydrophobicContact CG2-CG 4.1Å; V143-R145 HydrophobicContact CG1-CG 4.36Å; R145-F147 HydrophobicContact CB-CD2 4.24Å; R145-F147 HydrophobicContact CB-CE2 3.43Å; R145-F147 VanDerWaalsContact CB-CE2 3.43Å; R145-F147 HydrophobicContact CB-CZ 3.61Å; R145-F147 HydrophobicContact CG-CZ 4.31Å; R145-T159 CarbonylContact O-C 3.49Å; R145-T159 WeakPolarHBondContact O-CA 3.22Å; R145-M160 PolarHBondContact N-O 3.41Å; R145-M160 PolarHBondContact O-N 3.32Å
146	N	94.8	Very high	92.6	Very high	28 Å²	28	47.9 Å²	47.9	15%	0.15	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.8	173	-54.1	-58.3	0	0	0	107.9	F130 D131 T157 A158 T159	F130-N146 WeakPolarHBondContact CA-O 3.3Å; F130-N146 WeakPolarHBondContact CB-O 3.13Å; D131-N146 PolarHBondContact N-O 2.89Å; D131-N146 PolarHBondContact O-N 3.41Å; D131-N146 WeakPolarHBondContact OD1-CB 3.28Å; D131-N146 PolarHBondContact OD2-ND2 2.81Å; N146-T157 HydrophobicContact CB-CG2 3.89Å; N146-A158 CarbonylContact C-O 3.47Å; N146-A158 WeakPolarHBondContact CA-O 3.41Å; N146-T159 WeakPolarHBondContact OD1-CB 3.34Å; N146-T159 VanDerWaalsContact OD1-CG2 3.22Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.29Å; N146-T159 PolarHBondContact OD1-OG1 3.42Å
147	F	95.1	Very high	92.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.3	-179.1	-63.1	-83.1	0	0	0	109.5	P107 Y123 I124 N127 F130 R145 I149 T157 A158 M160	P107-F147 HydrophobicContact CG-CE1 4.14Å; P107-F147 HydrophobicContact CG-CZ 4.19Å; Y123-F147 VanDerWaalsContact CA-CZ 3.43Å; I124-F147 HydrophobicContact CB-CB 4.4Å; I124-F147 HydrophobicContact CB-CD1 4.28Å; I124-F147 HydrophobicContact CB-CD2 4.32Å; I124-F147 HydrophobicContact CB-CG 4.07Å; I124-F147 HydrophobicContact CD1-CB 4.22Å; I124-F147 HydrophobicContact CD1-CD2 4.06Å; I124-F147 HydrophobicContact CD1-CG 4.29Å; I124-F147 HydrophobicContact CG1-CD2 4.04Å; I124-F147 HydrophobicContact CG1-CE2 4.45Å; I124-F147 HydrophobicContact CG1-CG 4.26Å; N127-F147 HydrophobicContact CB-CB 4.26Å; N127-F147 HydrophobicContact CB-CD1 4.03Å; F130-F147 HydrophobicContact CB-CD1 3.51Å; F130-F147 HydrophobicContact CB-CE1 3.78Å; F130-F147 HydrophobicContact CB-CG 4.28Å; F130-F147 HydrophobicContact CD1-CE1 4.48Å; F130-F147 HydrophobicContact CD2-CE1 4.41Å; F130-F147 HydrophobicContact CG-CD1 4.19Å; F130-F147 AromaticContact CG-CE1 3.99Å; F130-F147 HydrophobicContact CG-CE1 3.99Å; R145-F147 HydrophobicContact CB-CD2 4.24Å; R145-F147 HydrophobicContact CB-CE2 3.43Å; R145-F147 VanDerWaalsContact CB-CE2 3.43Å; R145-F147 HydrophobicContact CB-CZ 3.61Å; R145-F147 HydrophobicContact CG-CZ 4.31Å; F147-I149 HydrophobicContact CB-CD1 4.2Å; F147-I149 HydrophobicContact CB-CG1 4.13Å; F147-T157 CarbonylContact O-C 3.47Å; F147-T157 WeakPolarHBondContact O-CA 3.27Å; F147-A158 PolarHBondContact N-O 3.22Å; F147-A158 PolarHBondContact O-N 2.8Å; F147-M160 HydrophobicContact CD2-CG 4.25Å; F147-M160 HydrophobicContact CD2-SD 4.47Å; F147-M160 HydrophobicContact CE2-CB 4.09Å; F147-M160 HydrophobicContact CE2-CG 4.05Å; F147-M160 HydrophobicContact CE2-SD 4.04Å
148	S	95	Very high	93	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.7	169.1	-150.1	0	0	0	0	110.1	E128 K129 E155	E128-S148 PolarHBondContact N-O 2.8Å; K129-S148 VanDerWaalsContact CG-CB 3.47Å; K129-S148 PolarHBondContact O-N 3.09Å; S148-E155 WeakPolarHBondContact OG-CG 3.13Å; S148-E155 PolarHBondContact OG-OE1 2.87Å
149	I	93	Very high	93.3	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.2	-171.5	-52.6	160.7	0	0	0	109	I124 N127 F147 V151 V156 A158 I181	I124-I149 HydrophobicContact CB-CD1 4.33Å; I124-I149 HydrophobicContact CD1-CD1 3.44Å; I124-I149 VanDerWaalsContact CD1-CD1 3.44Å; I124-I149 HydrophobicContact CG1-CD1 4.44Å; I124-I149 HydrophobicContact CG2-CD1 3.82Å; I124-I149 HydrophobicContact CG2-CG1 4.32Å; N127-I149 HydrophobicContact CB-CG1 4.47Å; F147-I149 HydrophobicContact CB-CD1 4.2Å; F147-I149 HydrophobicContact CB-CG1 4.13Å; I149-V151 HydrophobicContact CG2-CG2 4.16Å; I149-V156 PolarHBondContact N-O 3.31Å; I149-V156 PolarHBondContact O-N 2.88Å; I149-A158 HydrophobicContact CD1-CB 3.62Å; I149-I181 HydrophobicContact CD1-CD1 4Å; I149-I181 HydrophobicContact CG2-CD1 4.23Å
150	N	91.2	Very high	93.5	Very high	84 Å²	84	34.5 Å²	34.5	45%	0.449	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.2	171.4	-159.8	-66.4	0	0	0	110.6	E128 G153	E128-N150 WeakPolarHBondContact OE1-CB 3.16Å; E128-N150 PolarHBondContact OE1-ND2 3.47Å; N150-G153 WeakPolarHBondContact OD1-CA 3.46Å; N150-G153 PolarHBondContact OD1-N 3.05Å
151	V	88.6	Confident	93.6	Very high	20 Å²	20	33.2 Å²	33.2	12%	0.121	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113	173.4	-177.2	0	0	0	0	108.4	I149 G153 T154 P178 E180	I149-V151 HydrophobicContact CG2-CG2 4.16Å; V151-G153 PolarHBondContact O-N 3.44Å; V151-G153 VanDerWaalsContact O-N 3.15Å; V151-T154 PolarHBondContact N-O 3.47Å; V151-T154 PolarHBondContact O-N 2.81Å; V151-P178 HydrophobicContact CG1-CB 4.42Å; V151-P178 HydrophobicContact CG2-CB 3.79Å; V151-P178 HydrophobicContact CG2-CG 3.73Å; V151-E180 HydrophobicContact CG1-CB 3.93Å; V151-E180 HydrophobicContact CG1-CG 4.39Å
152	N	88.3	Confident	93.8	Very high	144 Å²	144	33.4 Å²	33.4	77%	0.77	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.4	-180	-59	-33.1	0	0	0	113.6
153	G	88.3	Confident	93.9	Very high	63 Å²	63	34 Å²	34	65%	0.649	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	-1.3	-179.7	0	0	0	0	0	115	N150 V151	N150-G153 WeakPolarHBondContact OD1-CA 3.46Å; N150-G153 PolarHBondContact OD1-N 3.05Å; V151-G153 PolarHBondContact O-N 3.44Å; V151-G153 VanDerWaalsContact O-N 3.15Å
154	T	90.7	Very high	94	Very high	90 Å²	90	34 Å²	34	55%	0.552	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.9	176.2	-54.4	0	0	0	0	110.3	V151 V156	V151-T154 PolarHBondContact N-O 3.47Å; V151-T154 PolarHBondContact O-N 2.81Å; T154-V156 HydrophobicContact CG2-CG2 4.46Å
155	E	92.3	Very high	93.9	Very high	94 Å²	94	34.8 Å²	34.8	44%	0.439	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.1	172.9	-168.7	-177.4	-150.7	0	0	109.3	K129 S148	K129-E155 WeakPolarHBondContact CE-OE1 3.28Å; K129-E155 IonicContact NZ-OE1 3.81Å; K129-E155 PolarHBondContact NZ-OE1 2.9Å; K129-E155 IonicContact NZ-OE2 3.57Å; S148-E155 WeakPolarHBondContact OG-CG 3.13Å; S148-E155 PolarHBondContact OG-OE1 2.87Å
156	V	94.1	Very high	93.8	Very high	48 Å²	48	37.1 Å²	37.1	29%	0.291	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.2	177.3	-179.7	0	0	0	0	109.1	I149 T154 P178	I149-V156 PolarHBondContact N-O 3.31Å; I149-V156 PolarHBondContact O-N 2.88Å; T154-V156 HydrophobicContact CG2-CG2 4.46Å; V156-P178 HydrophobicContact CB-CG 4.37Å; V156-P178 HydrophobicContact CG1-CG 4.09Å
157	T	95.9	Very high	93.5	Very high	75 Å²	75	41.5 Å²	41.5	46%	0.46	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.2	173.9	-53.6	0	0	0	0	110.5	N146 F147 N176	N146-T157 HydrophobicContact CB-CG2 3.89Å; F147-T157 CarbonylContact O-C 3.47Å; F147-T157 WeakPolarHBondContact O-CA 3.27Å; T157-N176 WeakPolarHBondContact O-CB 3.12Å
158	A	96.6	Very high	93.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.9	172.9	0	0	0	0	0	110.1	I124 N146 F147 I149 I177	I124-A158 HydrophobicContact CD1-CB 3.7Å; N146-A158 CarbonylContact C-O 3.47Å; N146-A158 WeakPolarHBondContact CA-O 3.41Å; F147-A158 PolarHBondContact N-O 3.22Å; F147-A158 PolarHBondContact O-N 2.8Å; I149-A158 HydrophobicContact CD1-CB 3.62Å; A158-I177 HydrophobicContact CB-CD1 3.9Å
159	T	96.7	Very high	93.3	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.08	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.4	-178.9	-58.1	0	0	0	0	110.2	Q144 R145 N146 D175	Q144-T159 HydrophobicContact CG-CG2 3.58Å; R145-T159 CarbonylContact O-C 3.49Å; R145-T159 WeakPolarHBondContact O-CA 3.22Å; N146-T159 WeakPolarHBondContact OD1-CB 3.34Å; N146-T159 VanDerWaalsContact OD1-CG2 3.22Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.29Å; N146-T159 PolarHBondContact OD1-OG1 3.42Å; T159-D175 PolarHBondContact N-O 3.1Å; T159-D175 PolarHBondContact O-N 3.21Å
160	M	97.1	Very high	93.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.5	173.5	-61.4	-170	149.9	0	0	109.7	N122 Y123 I124 R145 F147 Y174 I177 L186 I209	N122-M160 PolarHBondContact OD1-SD 2.98Å; N122-M160 VanDerWaalsContact OD1-SD 3.38Å; Y123-M160 VanDerWaalsContact C-SD 3.57Å; I124-M160 HydrophobicContact CD1-CE 3.73Å; I124-M160 HydrophobicContact CD1-CG 4.42Å; I124-M160 HydrophobicContact CD1-SD 4.14Å; I124-M160 HydrophobicContact CG1-CE 3.38Å; I124-M160 HydrophobicContact CG1-CG 4.46Å; I124-M160 HydrophobicContact CG1-SD 3.59Å; I124-M160 VanDerWaalsContact CG1-SD 3.59Å; R145-M160 PolarHBondContact N-O 3.41Å; R145-M160 PolarHBondContact O-N 3.32Å; F147-M160 HydrophobicContact CD2-CG 4.25Å; F147-M160 HydrophobicContact CD2-SD 4.47Å; F147-M160 HydrophobicContact CE2-CB 4.09Å; F147-M160 HydrophobicContact CE2-CG 4.05Å; F147-M160 HydrophobicContact CE2-SD 4.04Å; M160-Y174 HydrophobicContact CB-CD1 4.4Å; M160-Y174 HydrophobicContact CE-CD1 4.03Å; M160-Y174 HydrophobicContact CE-CE1 4.23Å; M160-Y174 HydrophobicContact CG-CD1 4.02Å; M160-Y174 HydrophobicContact SD-CD1 4.47Å; M160-I177 HydrophobicContact CE-CD1 4.07Å; M160-I177 HydrophobicContact CG-CD1 4.3Å; M160-L186 HydrophobicContact CE-CD2 3.96Å; M160-I209 HydrophobicContact CE-CG2 3.59Å
161	T	97.2	Very high	93.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.6	-178.6	-54.8	0	0	0	0	110	F73 N122 V143 Q144 L163 F172 H173	F73-T161 HydrophobicContact CE1-CG2 4.21Å; F73-T161 HydrophobicContact CE2-CG2 4.27Å; F73-T161 HydrophobicContact CZ-CG2 3.57Å; N122-T161 PolarHBondContact ND2-O 3.19Å; N122-T161 VanDerWaalsContact ND2-O 3.16Å; V143-T161 CarbonylContact O-C 3.36Å; V143-T161 WeakPolarHBondContact O-CA 3.45Å; Q144-T161 PolarHBondContact NE2-OG1 3.47Å; T161-L163 HydrophobicContact CG2-CD2 3.96Å; T161-L163 HydrophobicContact CG2-CG 4.08Å; T161-F172 CarbonylContact O-C 3.55Å; T161-F172 VanDerWaalsContact O-CA 3.26Å; T161-F172 WeakPolarHBondContact O-CA 3.4Å; T161-H173 PolarHBondContact N-O 3.44Å; T161-H173 PolarHBondContact O-N 3.13Å
162	S	97.1	Very high	94.2	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.1	170	-65.3	0	0	0	0	109.7	N122 G142 V143 S171 F172	N122-S162 WeakPolarHBondContact CB-OG 3.22Å; N122-S162 PolarHBondContact ND2-OG 3.14Å; G142-S162 CarbonylContact C-O 3.58Å; G142-S162 VanDerWaalsContact CA-O 3.27Å; G142-S162 WeakPolarHBondContact CA-O 3.44Å; V143-S162 PolarHBondContact N-O 2.99Å; V143-S162 PolarHBondContact O-N 2.84Å; S162-S171 CarbonylContact C-O 3.58Å; S162-S171 WeakPolarHBondContact CA-O 3.35Å; S162-F172 VanDerWaalsContact OG-CD1 3.31Å; S162-F172 WeakPolarHBondContact OG-CD1 3.27Å; S162-F172 WeakPolarHBondContact OG-CE1 3.32Å
163	L	96.5	Very high	94.7	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.2	-180	-59.4	173.6	0	0	0	110.1	P67 V68 F73 L140 L141 T161 V170 S171	P67-L163 HydrophobicContact CB-CD1 3.86Å; P67-L163 HydrophobicContact CG-CD1 4.27Å; V68-L163 HydrophobicContact CG2-CD1 3.69Å; V68-L163 HydrophobicContact CG2-CD2 3.95Å; F73-L163 HydrophobicContact CZ-CD2 3.99Å; L140-L163 HydrophobicContact CD1-CB 4.25Å; L140-L163 HydrophobicContact CD1-CD2 4.4Å; L140-L163 HydrophobicContact CD2-CD2 4.39Å; L140-L163 HydrophobicContact CG-CD2 4.45Å; L141-L163 CarbonylContact O-C 3.52Å; L141-L163 WeakPolarHBondContact O-CA 3.31Å; T161-L163 HydrophobicContact CG2-CD2 3.96Å; T161-L163 HydrophobicContact CG2-CG 4.08Å; L163-V170 CarbonylContact O-C 3.59Å; L163-V170 WeakPolarHBondContact O-CA 3.38Å; L163-S171 PolarHBondContact N-O 3.4Å; L163-S171 PolarHBondContact O-N 3.48Å
164	I	95.6	Very high	95.2	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.036	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.8	174.6	-51.2	-177.1	0	0	0	108.7	F89 I120 L141 K169 V170	F89-I164 HydrophobicContact CD1-CG2 4.5Å; F89-I164 HydrophobicContact CD2-CG2 3.62Å; F89-I164 HydrophobicContact CE2-CD1 4.05Å; F89-I164 HydrophobicContact CE2-CG2 3.7Å; F89-I164 HydrophobicContact CG-CG2 4.03Å; F89-I164 HydrophobicContact CZ-CD1 4.04Å; F89-I164 HydrophobicContact CZ-CG2 4.16Å; I120-I164 HydrophobicContact CD1-CD1 3.51Å; I120-I164 HydrophobicContact CD1-CG1 4.3Å; L141-I164 HydrophobicContact CB-CB 4.33Å; L141-I164 HydrophobicContact CD2-CD1 4.06Å; L141-I164 PolarHBondContact N-O 3.34Å; L141-I164 PolarHBondContact O-N 2.91Å; I164-K169 WeakPolarHBondContact CA-O 3.42Å; I164-V170 HydrophobicContact CG1-CG2 4.3Å
165	D	93	Very high	95.4	Very high	26 Å²	26	25.9 Å²	25.9	14%	0.139	14%	0.143	C	C	.	.			trans	-99.5	169	175.7	78.5	11	0	0	0	112.4	N167 G168 K169	D165-N167 PolarHBondContact O-N 3.22Å; D165-N167 WeakPolarHBondContact OD1-CA 3.31Å; D165-N167 WeakPolarHBondContact OD1-CB 3.5Å; D165-N167 PolarHBondContact OD1-N 3.09Å; D165-G168 PolarHBondContact O-N 3.46Å; D165-G168 PolarHBondContact OD1-N 3.26Å; D165-K169 VanDerWaalsContact CG-CB 3.42Å; D165-K169 PolarHBondContact N-O 3.44Å; D165-K169 VanDerWaalsContact N-O 3.13Å; D165-K169 VanDerWaalsContact OD1-CB 3.32Å; D165-K169 WeakPolarHBondContact OD1-CB 3.45Å; D165-K169 PolarHBondContact OD1-N 3.12Å; D165-K169 WeakPolarHBondContact OD2-CB 3.08Å; D165-K169 VanDerWaalsContact OD2-CE 3.29Å; D165-K169 WeakPolarHBondContact OD2-CE 3.1Å
166	P	91.9	Very high	95.6	Very high	53 Å²	53	26.5 Å²	26.5	34%	0.344	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.2	178.9	-26.4	37	0	0	0	114.5	K139 G168	K139-P166 WeakPolarHBondContact O-CD 3.49Å; P166-G168 PolarHBondContact O-N 3.38Å
167	N	88.9	Confident	95.7	Very high	120 Å²	120	24.5 Å²	24.5	64%	0.642	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5	177.2	-64.4	-24.5	0	0	0	112	D165	D165-N167 PolarHBondContact O-N 3.22Å; D165-N167 WeakPolarHBondContact OD1-CA 3.31Å; D165-N167 WeakPolarHBondContact OD1-CB 3.5Å; D165-N167 PolarHBondContact OD1-N 3.09Å
168	G	91.3	Very high	95.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	12%	0.12	C	C	.	.			trans	83.9	12.1	-178.1	0	0	0	0	0	113.8	S90 D165 P166 V170	S90-G168 WeakPolarHBondContact O-CA 3.24Å; D165-G168 PolarHBondContact O-N 3.46Å; D165-G168 PolarHBondContact OD1-N 3.26Å; P166-G168 PolarHBondContact O-N 3.38Å; G168-V170 PolarHBondContact O-N 3.17Å
169	K	94	Very high	95.4	Very high	37 Å²	37	27.6 Å²	27.6	16%	0.161	15%	0.152	C	C	.	.			trans	-67.3	131.4	172.1	-168.4	175.7	62.4	168.3	0	108.7	I164 D165 E216 Y217 E218	I164-K169 WeakPolarHBondContact CA-O 3.42Å; D165-K169 VanDerWaalsContact CG-CB 3.42Å; D165-K169 PolarHBondContact N-O 3.44Å; D165-K169 VanDerWaalsContact N-O 3.13Å; D165-K169 VanDerWaalsContact OD1-CB 3.32Å; D165-K169 WeakPolarHBondContact OD1-CB 3.45Å; D165-K169 PolarHBondContact OD1-N 3.12Å; D165-K169 WeakPolarHBondContact OD2-CB 3.08Å; D165-K169 VanDerWaalsContact OD2-CE 3.29Å; D165-K169 WeakPolarHBondContact OD2-CE 3.1Å; K169-E216 HydrophobicContact CD-CB 4.41Å; K169-E216 IonicContact NZ-OE1 3.78Å; K169-E216 PolarHBondContact NZ-OE1 2.83Å; K169-Y217 CarbonylContact C-O 3.49Å; K169-Y217 VanDerWaalsContact CA-O 3.28Å; K169-Y217 WeakPolarHBondContact CA-O 3.37Å; K169-Y217 VanDerWaalsContact CG-O 3.27Å; K169-Y217 WeakPolarHBondContact CG-O 3.37Å; K169-E218 HydrophobicContact CG-CB 4.48Å
170	V	96.5	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.8	175.1	-179	0	0	0	0	108.5	F91 I120 L163 I164 G168 F172 I190 Y217	F91-V170 HydrophobicContact CD2-CG2 4.21Å; F91-V170 HydrophobicContact CE2-CG2 3.97Å; I120-V170 HydrophobicContact CD1-CG1 4.14Å; I120-V170 HydrophobicContact CD1-CG2 4.15Å; I120-V170 HydrophobicContact CG2-CG1 4.3Å; L163-V170 CarbonylContact O-C 3.59Å; L163-V170 WeakPolarHBondContact O-CA 3.38Å; I164-V170 HydrophobicContact CG1-CG2 4.3Å; G168-V170 PolarHBondContact O-N 3.17Å; V170-F172 HydrophobicContact CG1-CD1 4.33Å; V170-F172 HydrophobicContact CG1-CE1 3.65Å; V170-F172 HydrophobicContact CG1-CZ 4.17Å; V170-I190 HydrophobicContact CG1-CG2 4.16Å; V170-Y217 HydrophobicContact CB-CD2 4.36Å; V170-Y217 HydrophobicContact CG1-CD2 4.47Å; V170-Y217 PolarHBondContact N-O 3.28Å; V170-Y217 PolarHBondContact O-N 2.92Å
171	S	97.6	Very high	95	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.3	179	-57.3	0	0	0	0	111.4	S162 L163 V215	S162-S171 CarbonylContact C-O 3.58Å; S162-S171 WeakPolarHBondContact CA-O 3.35Å; L163-S171 PolarHBondContact N-O 3.4Å; L163-S171 PolarHBondContact O-N 3.48Å; S171-V215 CarbonylContact C-O 3.55Å; S171-V215 WeakPolarHBondContact CA-O 3.39Å
172	F	98.5	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.6	169	-55.2	-30	0	0	0	110.3	I120 N122 T161 S162 V170 Y174 I190 V204 L214 V215 Y217	I120-F172 HydrophobicContact CG2-CE1 3.47Å; I120-F172 VanDerWaalsContact CG2-CE1 3.47Å; I120-F172 HydrophobicContact CG2-CZ 3.65Å; N122-F172 HydrophobicContact CB-CD1 4.31Å; N122-F172 HydrophobicContact CB-CE1 4.28Å; T161-F172 CarbonylContact O-C 3.55Å; T161-F172 VanDerWaalsContact O-CA 3.26Å; T161-F172 WeakPolarHBondContact O-CA 3.4Å; S162-F172 VanDerWaalsContact OG-CD1 3.31Å; S162-F172 WeakPolarHBondContact OG-CD1 3.27Å; S162-F172 WeakPolarHBondContact OG-CE1 3.32Å; V170-F172 HydrophobicContact CG1-CD1 4.33Å; V170-F172 HydrophobicContact CG1-CE1 3.65Å; V170-F172 HydrophobicContact CG1-CZ 4.17Å; F172-Y174 HydrophobicContact CB-CE1 4.08Å; F172-I190 HydrophobicContact CZ-CG2 4Å; F172-V204 HydrophobicContact CD2-CG2 3.99Å; F172-V204 HydrophobicContact CE2-CG2 4.33Å; F172-L214 CarbonylContact O-C 3.54Å; F172-L214 WeakPolarHBondContact O-CA 3.48Å; F172-V215 HydrophobicContact CB-CB 4.23Å; F172-V215 PolarHBondContact N-O 3.3Å; F172-V215 PolarHBondContact O-N 3.2Å; F172-Y217 AromaticContact CD2-CE2 3.89Å; F172-Y217 HydrophobicContact CD2-CE2 3.89Å; F172-Y217 HydrophobicContact CE2-CD2 4.45Å; F172-Y217 AromaticContact CE2-CE2 3.55Å; F172-Y217 HydrophobicContact CE2-CE2 3.55Å; F172-Y217 HydrophobicContact CZ-CE2 4.11Å
173	H	98.5	Very high	94.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.5	173.2	-179.5	-98	0	0	0	109.9	Q64 P65 Q66 P67 T161 D175 T213 L214	Q64-H173 PolarHBondContact O-NE2 2.87Å; Q64-H173 VanDerWaalsContact O-NE2 3.14Å; P65-H173 PolarHBondContact O-NE2 2.93Å; Q66-H173 WeakPolarHBondContact CA-CE1 3.28Å; P67-H173 HydrophobicContact CG-CB 4.27Å; T161-H173 PolarHBondContact N-O 3.44Å; T161-H173 PolarHBondContact O-N 3.13Å; H173-D175 IonicContact CE1-OD1 3.42Å; H173-D175 PolarHBondContact CE1-OD1 3.2Å; H173-D175 IonicContact CE1-OD2 3.73Å; H173-D175 PolarHBondContact CE1-OD2 2.91Å; H173-D175 IonicContact ND1-OD1 3.53Å; H173-D175 IonicContact ND1-OD2 3.17Å; H173-D175 PolarHBondContact ND1-OD2 2.95Å; H173-D175 IonicContact NE2-OD1 3.74Å; H173-T213 WeakPolarHBondContact CA-O 3.27Å; H173-L214 HydrophobicContact CB-CD1 4.18Å
174	Y	98.2	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.9	-174	-44.1	-65	0	0	0	110.8	N122 M160 F172 I177 S188 I209 S211 G212 T213 V215	N122-Y174 WeakPolarHBondContact OD1-CE1 3.44Å; M160-Y174 HydrophobicContact CB-CD1 4.4Å; M160-Y174 HydrophobicContact CE-CD1 4.03Å; M160-Y174 HydrophobicContact CE-CE1 4.23Å; M160-Y174 HydrophobicContact CG-CD1 4.02Å; M160-Y174 HydrophobicContact SD-CD1 4.47Å; F172-Y174 HydrophobicContact CB-CE1 4.08Å; Y174-I177 HydrophobicContact CG-CG1 4.48Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.36Å; Y174-S188 WeakPolarHBondContact OH-CB 3.41Å; Y174-S188 PolarHBondContact OH-OG 3.07Å; Y174-I209 HydrophobicContact CD1-CG2 3.95Å; Y174-I209 HydrophobicContact CD2-CG2 4.08Å; Y174-I209 HydrophobicContact CE1-CG2 3.87Å; Y174-I209 HydrophobicContact CE2-CB 4.22Å; Y174-I209 HydrophobicContact CE2-CG1 4.16Å; Y174-I209 HydrophobicContact CE2-CG2 4.02Å; Y174-I209 HydrophobicContact CG-CG2 4.05Å; Y174-S211 CarbonylContact O-C 3.54Å; Y174-S211 WeakPolarHBondContact O-CA 3.32Å; Y174-G212 PolarHBondContact O-N 2.92Å; Y174-T213 PolarHBondContact N-O 3.16Å; Y174-V215 HydrophobicContact CE2-CG2 4.02Å
175	D	97	Very high	94.2	Very high	35 Å²	35	44.8 Å²	44.8	19%	0.187	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.9	177.6	-71.7	-54.2	0	0	0	110.2	T159 H173 I177	T159-D175 PolarHBondContact N-O 3.1Å; T159-D175 PolarHBondContact O-N 3.21Å; H173-D175 IonicContact CE1-OD1 3.42Å; H173-D175 PolarHBondContact CE1-OD1 3.2Å; H173-D175 IonicContact CE1-OD2 3.73Å; H173-D175 PolarHBondContact CE1-OD2 2.91Å; H173-D175 IonicContact ND1-OD1 3.53Å; H173-D175 IonicContact ND1-OD2 3.17Å; H173-D175 PolarHBondContact ND1-OD2 2.95Å; H173-D175 IonicContact NE2-OD1 3.74Å; D175-I177 PolarHBondContact O-N 3.23Å; D175-I177 VanDerWaalsContact O-N 3.15Å
176	N	95.8	Very high	94.3	Very high	107 Å²	107	44.2 Å²	44.2	57%	0.572	24%	0.244	S	C	*	.	S	Bend	trans	53.2	33.6	176.6	-58	-34.5	0	0	0	114.6	T157 P178 S211	T157-N176 WeakPolarHBondContact O-CB 3.12Å; N176-P178 VanDerWaalsContact O-CD 3.25Å; N176-P178 WeakPolarHBondContact O-CD 3.34Å; N176-S211 WeakPolarHBondContact CA-OG 3.5Å; N176-S211 PolarHBondContact N-OG 2.88Å
177	I	96.4	Very high	94.5	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	24%	0.236	C	C	.	.			trans	-70	117.7	169.2	-49.1	-52.2	0	0	0	108.8	I124 A158 M160 Y174 D175 I181 L186 S211	I124-I177 HydrophobicContact CD1-CD1 4.19Å; A158-I177 HydrophobicContact CB-CD1 3.9Å; M160-I177 HydrophobicContact CE-CD1 4.07Å; M160-I177 HydrophobicContact CG-CD1 4.3Å; Y174-I177 HydrophobicContact CG-CG1 4.48Å; D175-I177 PolarHBondContact O-N 3.23Å; D175-I177 VanDerWaalsContact O-N 3.15Å; I177-I181 HydrophobicContact CG2-CG2 4.15Å; I177-L186 HydrophobicContact CG2-CD1 4.35Å; I177-L186 HydrophobicContact CG2-CD2 4.21Å; I177-S211 PolarHBondContact N-OG 2.85Å; I177-S211 PolarHBondContact O-OG 3.1Å
178	P	94.4	Very high	94.9	Very high	16 Å²	16	38 Å²	38	10%	0.104	21%	0.207	C	C	.	.			trans	-63.5	142.5	177.8	-21.6	34.8	0	0	0	111.4	V151 V156 N176 E180 I181	V151-P178 HydrophobicContact CG1-CB 4.42Å; V151-P178 HydrophobicContact CG2-CB 3.79Å; V151-P178 HydrophobicContact CG2-CG 3.73Å; V156-P178 HydrophobicContact CB-CG 4.37Å; V156-P178 HydrophobicContact CG1-CG 4.09Å; N176-P178 VanDerWaalsContact O-CD 3.25Å; N176-P178 WeakPolarHBondContact O-CD 3.34Å; P178-E180 VanDerWaalsContact C-N 3.28Å; P178-E180 PolarHBondContact O-N 2.83Å; P178-I181 WeakPolarHBondContact O-CG2 3.21Å
179	N	92.4	Very high	95.2	Very high	125 Å²	125	40 Å²	40	67%	0.668	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.1	-178.2	-73.9	-45.2	0	0	0	112.8	I181	N179-I181 VanDerWaalsContact C-N 3.32Å
180	E	91.6	Very high	95.3	Very high	125 Å²	125	38.3 Å²	38.3	58%	0.584	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.8	-175.9	-56.8	77	-171.6	0	0	112.8	V151 P178	V151-E180 HydrophobicContact CG1-CB 3.93Å; V151-E180 HydrophobicContact CG1-CG 4.39Å; P178-E180 VanDerWaalsContact C-N 3.28Å; P178-E180 PolarHBondContact O-N 2.83Å
181	I	91.7	Very high	95.2	Very high	25 Å²	25	38.8 Å²	38.8	13%	0.128	21%	0.21	C	C	.	.	S	Bend	trans	-66	137.3	-179	-161.4	170.5	0	0	0	110.5	I124 I149 I177 P178 N179 G183 K185 L186	I124-I181 HydrophobicContact CG2-CD1 3.65Å; I149-I181 HydrophobicContact CD1-CD1 4Å; I149-I181 HydrophobicContact CG2-CD1 4.23Å; I177-I181 HydrophobicContact CG2-CG2 4.15Å; P178-I181 WeakPolarHBondContact O-CG2 3.21Å; N179-I181 VanDerWaalsContact C-N 3.32Å; I181-G183 PolarHBondContact O-N 3.2Å; I181-K185 HydrophobicContact CG1-CD 4.5Å; I181-L186 HydrophobicContact CD1-CD2 3.97Å; I181-L186 HydrophobicContact CG2-CD1 3.87Å; I181-L186 HydrophobicContact CG2-CD2 4.08Å; I181-L186 HydrophobicContact CG2-CG 4.16Å
182	D	92.1	Very high	94.9	Very high	91 Å²	91	38.8 Å²	38.8	49%	0.487	21%	0.208	S	C	.	.			trans	-63.8	120	172.2	178.9	4.5	0	0	0	109.7	S184 K185	D182-S184 PolarHBondContact O-N 3.34Å; D182-S184 VanDerWaalsContact O-N 3.08Å; D182-S184 PolarHBondContact OD1-N 3.29Å; D182-S184 PolarHBondContact OD1-OG 2.9Å; D182-S184 PolarHBondContact OD2-OG 3.15Å; D182-K185 HydrophobicContact CB-CD 4.46Å; D182-K185 HydrophobicContact CB-CG 4.33Å; D182-K185 WeakPolarHBondContact O-CB 3.28Å; D182-K185 PolarHBondContact O-N 3.47Å
183	G	92.6	Very high	94.3	Very high	26 Å²	26	40.6 Å²	40.6	27%	0.268	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-58.8	-20.5	179.9	0	0	0	0	0	114	I181 K185 L186 A206	I181-G183 PolarHBondContact O-N 3.2Å; G183-K185 PolarHBondContact O-N 2.9Å; G183-L186 PolarHBondContact O-N 2.99Å; G183-A206 WeakPolarHBondContact O-CB 3.46Å
184	S	92.7	Very high	93.6	Very high	70 Å²	70	40.9 Å²	40.9	49%	0.49	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.6	-27.3	173.4	76.4	0	0	0	0	113	D182 Q187	D182-S184 PolarHBondContact O-N 3.34Å; D182-S184 VanDerWaalsContact O-N 3.08Å; D182-S184 PolarHBondContact OD1-N 3.29Å; D182-S184 PolarHBondContact OD1-OG 2.9Å; D182-S184 PolarHBondContact OD2-OG 3.15Å; S184-Q187 PolarHBondContact O-NE2 2.91Å
185	K	93.3	Very high	92.8	Very high	66 Å²	66	48.1 Å²	48.1	29%	0.287	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-81	-15.8	179.7	-58.1	-176.7	178.1	-176.4	0	113.2	I124 E125 N126 I181 D182 G183 Q187	I124-K185 WeakPolarHBondContact CA-O 3.37Å; E125-K185 HydrophobicContact CB-CB 4.25Å; E125-K185 PolarHBondContact N-O 3.47Å; N126-K185 HydrophobicContact CB-CD 4.42Å; I181-K185 HydrophobicContact CG1-CD 4.5Å; D182-K185 HydrophobicContact CB-CD 4.46Å; D182-K185 HydrophobicContact CB-CG 4.33Å; D182-K185 WeakPolarHBondContact O-CB 3.28Å; D182-K185 PolarHBondContact O-N 3.47Å; G183-K185 PolarHBondContact O-N 2.9Å; K185-Q187 PolarHBondContact O-N 3.07Å
186	L	95.5	Very high	92.1	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.5	-176.4	-61	176.9	0	0	0	109.4	I124 M160 I177 I181 G183 I209	I124-L186 HydrophobicContact CD1-CD2 4.14Å; I124-L186 HydrophobicContact CG1-CD2 3.91Å; I124-L186 HydrophobicContact CG2-CD2 4.39Å; M160-L186 HydrophobicContact CE-CD2 3.96Å; I177-L186 HydrophobicContact CG2-CD1 4.35Å; I177-L186 HydrophobicContact CG2-CD2 4.21Å; I181-L186 HydrophobicContact CD1-CD2 3.97Å; I181-L186 HydrophobicContact CG2-CD1 3.87Å; I181-L186 HydrophobicContact CG2-CD2 4.08Å; I181-L186 HydrophobicContact CG2-CG 4.16Å; G183-L186 PolarHBondContact O-N 2.99Å; L186-I209 HydrophobicContact CB-CB 4.19Å; L186-I209 HydrophobicContact CB-CD1 3.73Å; L186-I209 HydrophobicContact CB-CG2 4.04Å; L186-I209 HydrophobicContact CD1-CB 3.87Å; L186-I209 HydrophobicContact CD1-CG2 3.92Å; L186-I209 HydrophobicContact CD2-CG2 4.19Å; L186-I209 HydrophobicContact CG-CG2 4.29Å
187	Q	95.8	Very high	91.4	Very high	39 Å²	39	48.1 Å²	48.1	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	101.2	-174.9	-64.6	-62.2	-44.7	0	0	110.9	N122 Y123 E125 S184 K185 K189	N122-Q187 CarbonylContact C-O 3.51Å; N122-Q187 VanDerWaalsContact CA-O 3.22Å; N122-Q187 WeakPolarHBondContact CA-O 3.25Å; Y123-Q187 HydrophobicContact CD1-CB 4.06Å; Y123-Q187 HydrophobicContact CD2-CB 4.04Å; Y123-Q187 HydrophobicContact CD2-CG 4.36Å; Y123-Q187 HydrophobicContact CE1-CB 3.76Å; Y123-Q187 HydrophobicContact CE1-CG 4.46Å; Y123-Q187 HydrophobicContact CE2-CB 3.74Å; Y123-Q187 HydrophobicContact CE2-CG 3.74Å; Y123-Q187 HydrophobicContact CG-CB 4.18Å; Y123-Q187 PolarHBondContact N-O 3.4Å; Y123-Q187 PolarHBondContact O-N 3.4Å; E125-Q187 HydrophobicContact CG-CG 3.99Å; S184-Q187 PolarHBondContact O-NE2 2.91Å; K185-Q187 PolarHBondContact O-N 3.07Å; Q187-K189 VanDerWaalsContact OE1-NZ 3.13Å
188	S	97.7	Very high	90.9	Very high	4 Å²	4	56 Å²	56	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117.4	172	-60.1	0	0	0	0	110.4	H121 N122 Y174 V204	H121-S188 CarbonylContact O-C 3.57Å; H121-S188 VanDerWaalsContact O-CA 3.28Å; H121-S188 WeakPolarHBondContact O-CA 3.33Å; N122-S188 PolarHBondContact OD1-OG 3Å; N122-S188 VanDerWaalsContact OD1-OG 3.09Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.36Å; Y174-S188 WeakPolarHBondContact OH-CB 3.41Å; Y174-S188 PolarHBondContact OH-OG 3.07Å; S188-V204 PolarHBondContact O-N 3.47Å
189	K	97.1	Very high	90.7	Very high	44 Å²	44	58.6 Å²	58.6	19%	0.191	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	153.7	-177.8	56.4	-167.6	175.1	-152.6	0	111.8	H121 Q187 V201 I202 P203	H121-K189 HydrophobicContact CB-CD 4.49Å; H121-K189 HydrophobicContact CB-CG 3.6Å; H121-K189 PolarHBondContact N-O 2.89Å; H121-K189 WeakPolarHBondContact ND1-CE 3.29Å; H121-K189 PolarHBondContact O-N 2.87Å; Q187-K189 VanDerWaalsContact OE1-NZ 3.13Å; K189-V201 HydrophobicContact CB-CG1 4.05Å; K189-V201 HydrophobicContact CD-CG1 3.74Å; K189-V201 HydrophobicContact CG-CG1 4.33Å; K189-I202 WeakPolarHBondContact CA-O 3.32Å; K189-I202 WeakPolarHBondContact CB-O 3.18Å; K189-P203 HydrophobicContact CB-CB 4.3Å
190	I	96.3	Very high	90.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.3	163.4	62.2	168.9	0	0	0	109.7	Y56 F91 Y92 I120 V170 F172 I202 Y217	Y56-I190 HydrophobicContact CD1-CD1 3.99Å; Y56-I190 HydrophobicContact CD2-CD1 4.16Å; Y56-I190 HydrophobicContact CE1-CD1 4.14Å; Y56-I190 HydrophobicContact CE2-CD1 4.32Å; Y56-I190 HydrophobicContact CG-CD1 4Å; F91-I190 HydrophobicContact CE2-CB 4.45Å; F91-I190 HydrophobicContact CE2-CG2 4.44Å; F91-I190 HydrophobicContact CZ-CB 4.08Å; F91-I190 HydrophobicContact CZ-CG2 4.46Å; Y92-I190 HydrophobicContact CE2-CD1 4.42Å; I120-I190 HydrophobicContact CG1-CG2 4.39Å; V170-I190 HydrophobicContact CG1-CG2 4.16Å; F172-I190 HydrophobicContact CZ-CG2 4Å; I190-I202 HydrophobicContact CD1-CD1 4.03Å; I190-I202 HydrophobicContact CG1-CB 3.86Å; I190-I202 HydrophobicContact CG1-CD1 4.2Å; I190-I202 HydrophobicContact CG1-CG1 4.36Å; I190-I202 PolarHBondContact N-O 2.99Å; I190-I202 VanDerWaalsContact N-O 3.15Å; I190-I202 PolarHBondContact O-N 3.15Å; I190-Y217 HydrophobicContact CD1-CD1 3.61Å; I190-Y217 HydrophobicContact CD1-CD2 4.35Å; I190-Y217 HydrophobicContact CD1-CE1 4.16Å; I190-Y217 HydrophobicContact CD1-CG 3.7Å; I190-Y217 HydrophobicContact CG1-CD1 4Å; I190-Y217 HydrophobicContact CG1-CE1 4.02Å; I190-Y217 HydrophobicContact CG1-CG 4.24Å; I190-Y217 HydrophobicContact CG2-CD2 3.96Å; I190-Y217 HydrophobicContact CG2-CE2 4.03Å; I190-Y217 HydrophobicContact CG2-CG 4.38Å
191	L	93.9	Very high	90.8	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.3	-173.5	-168.6	83.3	0	0	0	110.8	F91 G118 E119 V193 D199 H200 V201	F91-L191 WeakPolarHBondContact CE1-O 3.29Å; G118-L191 CarbonylContact C-O 3.6Å; G118-L191 VanDerWaalsContact CA-O 3.3Å; G118-L191 WeakPolarHBondContact CA-O 3.31Å; E119-L191 HydrophobicContact CB-CB 3.93Å; E119-L191 HydrophobicContact CB-CD2 4.07Å; E119-L191 HydrophobicContact CG-CD2 3.87Å; E119-L191 PolarHBondContact N-O 3.29Å; E119-L191 PolarHBondContact O-N 2.84Å; L191-V193 HydrophobicContact CD2-CG2 4.25Å; L191-D199 HydrophobicContact CD1-CB 3.54Å; L191-D199 HydrophobicContact CD2-CB 4.06Å; L191-D199 HydrophobicContact CG-CB 3.89Å; L191-H200 CarbonylContact C-O 3.57Å; L191-H200 VanDerWaalsContact CA-O 3.31Å; L191-H200 WeakPolarHBondContact CA-O 3.4Å; L191-V201 HydrophobicContact CD1-CB 4.01Å; L191-V201 HydrophobicContact CD1-CG1 4.34Å; L191-V201 HydrophobicContact CD1-CG2 3.23Å
192	R	90.7	Very high	91	Very high	13 Å²	13	48.2 Å²	48.2	5%	0.049	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	159.8	-173.6	-177.1	-173.1	-175.5	-0.5	110.2	Y92 I194 D199 H200	Y92-R192 HydrophobicContact CD1-CB 4.07Å; Y92-R192 HydrophobicContact CD1-CG 4.42Å; Y92-R192 HydrophobicContact CD2-CB 3.82Å; Y92-R192 HydrophobicContact CD2-CG 4.33Å; Y92-R192 HydrophobicContact CE1-CB 4.07Å; Y92-R192 HydrophobicContact CE2-CB 3.8Å; Y92-R192 HydrophobicContact CG-CB 3.94Å; Y92-R192 HydrophobicContact CG-CG 4.13Å; R192-I194 HydrophobicContact CG-CG1 4.34Å; R192-D199 WeakPolarHBondContact O-CA 3.29Å; R192-H200 HydrophobicContact CB-CB 4.48Å; R192-H200 PolarHBondContact N-O 2.83Å; R192-H200 PolarHBondContact O-N 2.91Å
193	V	87	Confident	91.3	Very high	38 Å²	38	47.1 Å²	47.1	23%	0.23	25%	0.251	C	S	.	.			trans	-75.1	126.5	172.2	-179.8	0	0	0	0	109.4	H117 L191 D199	H117-V193 HydrophobicContact CB-CB 4.19Å; H117-V193 HydrophobicContact CB-CG2 4.19Å; H117-V193 PolarHBondContact O-N 3.32Å; L191-V193 HydrophobicContact CD2-CG2 4.25Å; V193-D199 WeakPolarHBondContact CA-OD1 2.95Å
194	I	83.8	Confident	91.5	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	24%	0.241	C	C	.	.			trans	-122.1	113.5	-177.1	-62.6	176.1	0	0	0	108.7	N27 I29 L36 R192 C196 E197 H200	N27-I194 WeakPolarHBondContact ND2-CG1 3.09Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.09Å; I29-I194 HydrophobicContact CB-CD1 3.97Å; I29-I194 HydrophobicContact CD1-CD1 3.26Å; I29-I194 HydrophobicContact CG1-CD1 4.17Å; I29-I194 HydrophobicContact CG2-CD1 3.87Å; L36-I194 HydrophobicContact CD1-CD1 4.49Å; R192-I194 HydrophobicContact CG-CG1 4.34Å; I194-C196 WeakPolarHBondContact CG2-SG 3.48Å; I194-C196 PolarHBondContact O-N 2.95Å; I194-C196 VanDerWaalsContact O-N 3.15Å; I194-E197 HydrophobicContact CG2-CB 4.04Å; I194-E197 PolarHBondContact O-N 2.94Å; I194-H200 HydrophobicContact CD1-CB 3.63Å
195	L	80	Confident	91.7	Very high	153 Å²	153	44.7 Å²	44.7	80%	0.801	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.2	-172.4	-66.3	174.2	0	0	0	115.3
196	C	84	Confident	91.8	Very high	62 Å²	62	43.4 Å²	43.4	42%	0.419	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-13.9	-175.5	65.9	0	0	0	0	113.9	C30 I194	C30-C196 WeakPolarHBondContact CA-SG 3.29Å; C30-C196 HydrophobicContact CB-CB 3.9Å; C30-C196 WeakPolarHBondContact CB-SG 3.02Å; C30-C196 WeakPolarHBondContact SG-CB 3.45Å; C30-C196 CovalentContact SG-SG 1.99Å; C30-C196 PolarHBondContact SG-SG 3.31Å; I194-C196 WeakPolarHBondContact CG2-SG 3.48Å; I194-C196 PolarHBondContact O-N 2.95Å; I194-C196 VanDerWaalsContact O-N 3.15Å
197	E	81.2	Confident	91.9	Very high	80 Å²	80	48.2 Å²	48.2	37%	0.374	25%	0.251	S	S	.	.	S	Bend	trans	-143.7	-174.2	-169.5	-86.1	-63.1	170.6	0	0	108.9	I29 I194	I29-E197 HydrophobicContact CG2-CB 4.08Å; I29-E197 HydrophobicContact CG2-CG 4.15Å; I194-E197 HydrophobicContact CG2-CB 4.04Å; I194-E197 PolarHBondContact O-N 2.94Å
198	R	85.7	Confident	91.9	Very high	171 Å²	171	46.5 Å²	46.5	65%	0.645	24%	0.243	S	C	*	.	S	Bend	trans	-67.6	162.2	165.7	-65.5	-179.1	-67.2	-173.6	-1.1	110.9	L36	L36-R198 VanDerWaalsContact CD1-O 3.27Å; L36-R198 WeakPolarHBondContact CD1-O 3.49Å; L36-R198 HydrophobicContact CD2-CB 4.07Å
199	D	88.9	Confident	91.9	Very high	69 Å²	69	46.4 Å²	46.4	37%	0.369	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-61.9	138.5	174.1	-58.2	-27.6	0	0	0	110.8	L191 R192 V193 V201	L191-D199 HydrophobicContact CD1-CB 3.54Å; L191-D199 HydrophobicContact CD2-CB 4.06Å; L191-D199 HydrophobicContact CG-CB 3.89Å; R192-D199 WeakPolarHBondContact O-CA 3.29Å; V193-D199 WeakPolarHBondContact CA-OD1 2.95Å; D199-V201 PolarHBondContact O-N 3.17Å
200	H	91.6	Very high	91.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.7	173.9	175.2	59.1	0	0	0	109.3	I29 L36 Y92 L191 R192 I194	I29-H200 HydrophobicContact CD1-CB 3.84Å; L36-H200 HydrophobicContact CD1-CB 3.99Å; L36-H200 PolarHBondContact O-CE1 2.77Å; L36-H200 PolarHBondContact O-ND1 2.86Å; Y92-H200 AromaticContact CE1-CD2 3.5Å; Y92-H200 VanDerWaalsContact CE1-CD2 3.5Å; Y92-H200 WeakPolarHBondContact CE1-CD2 3.09Å; Y92-H200 AromaticContact CZ-CD2 3.74Å; Y92-H200 PolarHBondContact OH-CD2 3.18Å; Y92-H200 VanDerWaalsContact OH-CD2 3.24Å; L191-H200 CarbonylContact C-O 3.57Å; L191-H200 VanDerWaalsContact CA-O 3.31Å; L191-H200 WeakPolarHBondContact CA-O 3.4Å; R192-H200 HydrophobicContact CB-CB 4.48Å; R192-H200 PolarHBondContact N-O 2.83Å; R192-H200 PolarHBondContact O-N 2.91Å; I194-H200 HydrophobicContact CD1-CB 3.63Å
201	V	94.7	Very high	92	Very high	56 Å²	56	50.6 Å²	50.6	34%	0.339	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.2	-175.1	-172.6	0	0	0	0	109.1	K189 L191 D199 P203	K189-V201 HydrophobicContact CB-CG1 4.05Å; K189-V201 HydrophobicContact CD-CG1 3.74Å; K189-V201 HydrophobicContact CG-CG1 4.33Å; L191-V201 HydrophobicContact CD1-CB 4.01Å; L191-V201 HydrophobicContact CD1-CG1 4.34Å; L191-V201 HydrophobicContact CD1-CG2 3.23Å; D199-V201 PolarHBondContact O-N 3.17Å; V201-P203 HydrophobicContact CG1-CB 4.5Å
202	I	96.6	Very high	92.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	96	166.7	-52	172.9	0	0	0	108.4	H53 Y56 Y92 K189 I190 Y217	H53-I202 HydrophobicContact CB-CD1 3.62Å; H53-I202 HydrophobicContact CB-CG1 4.07Å; H53-I202 HydrophobicContact CB-CG2 4.26Å; Y56-I202 HydrophobicContact CD2-CD1 4.22Å; Y56-I202 HydrophobicContact CG-CD1 4.25Å; Y92-I202 WeakPolarHBondContact OH-CD1 3.34Å; K189-I202 WeakPolarHBondContact CA-O 3.32Å; K189-I202 WeakPolarHBondContact CB-O 3.18Å; I190-I202 HydrophobicContact CD1-CD1 4.03Å; I190-I202 HydrophobicContact CG1-CB 3.86Å; I190-I202 HydrophobicContact CG1-CD1 4.2Å; I190-I202 HydrophobicContact CG1-CG1 4.36Å; I190-I202 PolarHBondContact N-O 2.99Å; I190-I202 VanDerWaalsContact N-O 3.15Å; I190-I202 PolarHBondContact O-N 3.15Å; I202-Y217 HydrophobicContact CB-CE1 4.18Å; I202-Y217 HydrophobicContact CG2-CD1 4.28Å; I202-Y217 HydrophobicContact CG2-CE1 3.58Å; I202-Y217 PolarHBondContact O-OH 3.47Å
203	P	97.3	Very high	92.5	Very high	69 Å²	69	50.2 Å²	50.2	45%	0.448	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	147.1	-178.6	34.2	-33.4	0	0	0	112.7	K189 V201	K189-P203 HydrophobicContact CB-CB 4.3Å; V201-P203 HydrophobicContact CG1-CB 4.5Å
204	V	98	Very high	93	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-76.3	123.9	161.9	-175.4	0	0	0	0	107.7	I60 F172 S188 A206 W208 I209 V215 Y217	I60-V204 HydrophobicContact CD1-CG1 4.28Å; F172-V204 HydrophobicContact CD2-CG2 3.99Å; F172-V204 HydrophobicContact CE2-CG2 4.33Å; S188-V204 PolarHBondContact O-N 3.47Å; V204-A206 PolarHBondContact O-N 3.09Å; V204-W208 HydrophobicContact CG1-CB 4.05Å; V204-I209 HydrophobicContact CB-CD1 4.27Å; V204-I209 HydrophobicContact CB-CG1 4.17Å; V204-I209 HydrophobicContact CG1-CD1 4.37Å; V204-I209 HydrophobicContact CG1-CG1 3.74Å; V204-V215 HydrophobicContact CG1-CG2 3.85Å; V204-V215 HydrophobicContact CG2-CB 4.4Å; V204-V215 HydrophobicContact CG2-CG1 3.92Å; V204-V215 HydrophobicContact CG2-CG2 4.04Å; V204-Y217 HydrophobicContact CG2-CE2 4.44Å; V204-Y217 WeakPolarHBondContact CG2-OH 3.47Å
205	P	96.9	Very high	93.7	Very high	37 Å²	37	49 Å²	49	24%	0.24	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-63.1	129.9	176.6	-16.4	27.3	0	0	0	110.2	K207 W208	P205-K207 HydrophobicContact CB-CG 4.44Å; P205-K207 PolarHBondContact O-N 2.86Å; P205-W208 WeakPolarHBondContact O-CB 3.38Å; P205-W208 PolarHBondContact O-N 2.96Å
206	A	96.1	Very high	94.6	Very high	40 Å²	40	42.7 Å²	42.7	33%	0.331	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-51.7	-31.8	-170.6	0	0	0	0	0	114.7	G183 V204 W208 I209	G183-A206 WeakPolarHBondContact O-CB 3.46Å; V204-A206 PolarHBondContact O-N 3.09Å; A206-W208 PolarHBondContact O-N 2.77Å; A206-W208 VanDerWaalsContact O-N 3.09Å; A206-I209 PolarHBondContact O-N 2.8Å
207	K	95.8	Very high	95.2	Very high	113 Å²	113	39.8 Å²	39.8	49%	0.491	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-58.8	-21.7	176	70.4	178.4	-174.9	175.3	0	114.6	E44 R62 P205	E44-K207 WeakPolarHBondContact OE1-CE 3.37Å; E44-K207 IonicContact OE1-NZ 3.66Å; E44-K207 PolarHBondContact OE1-NZ 3.49Å; R62-K207 PolarHBondContact NH2-O 2.95Å; P205-K207 HydrophobicContact CB-CG 4.44Å; P205-K207 PolarHBondContact O-N 2.86Å
208	W	97.4	Very high	95.8	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.015	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-93.2	-14.3	177.8	-68	108.2	0	0	0	113.2	E44 N45 R49 I60 R62 V204 P205 A206 K210 T213	E44-W208 HydrophobicContact CG-CZ2 4.14Å; N45-W208 WeakPolarHBondContact O-CH2 3.03Å; N45-W208 WeakPolarHBondContact O-CZ2 3.5Å; R49-W208 HydrophobicContact CB-CH2 4.15Å; R49-W208 HydrophobicContact CB-CZ2 3.66Å; I60-W208 HydrophobicContact CB-CD2 4.34Å; I60-W208 HydrophobicContact CB-CE3 4.23Å; I60-W208 HydrophobicContact CD1-CB 3.99Å; I60-W208 HydrophobicContact CD1-CD2 4.14Å; I60-W208 HydrophobicContact CD1-CG 3.71Å; I60-W208 HydrophobicContact CG2-CB 3.99Å; I60-W208 HydrophobicContact CG2-CD2 3.69Å; I60-W208 HydrophobicContact CG2-CE3 3.36Å; I60-W208 HydrophobicContact CG2-CG 3.97Å; I60-W208 HydrophobicContact CG2-CZ3 4.03Å; R62-W208 HydrophobicContact CG-CE3 4.34Å; R62-W208 HydrophobicContact CG-CZ3 4.03Å; V204-W208 HydrophobicContact CG1-CB 4.05Å; P205-W208 WeakPolarHBondContact O-CB 3.38Å; P205-W208 PolarHBondContact O-N 2.96Å; A206-W208 PolarHBondContact O-N 2.77Å; A206-W208 VanDerWaalsContact O-N 3.09Å; W208-K210 PolarHBondContact O-N 3.26Å; W208-T213 VanDerWaalsContact O-CB 3.28Å; W208-T213 WeakPolarHBondContact O-CB 3.31Å; W208-T213 WeakPolarHBondContact O-CG2 3.36Å; W208-T213 PolarHBondContact O-OG1 2.94Å
209	I	97.7	Very high	96.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.182	C	C	.	.			trans	-81.2	77.6	177.4	-53.5	173.8	0	0	0	108	M160 Y174 L186 V204 A206	M160-I209 HydrophobicContact CE-CG2 3.59Å; Y174-I209 HydrophobicContact CD1-CG2 3.95Å; Y174-I209 HydrophobicContact CD2-CG2 4.08Å; Y174-I209 HydrophobicContact CE1-CG2 3.87Å; Y174-I209 HydrophobicContact CE2-CB 4.22Å; Y174-I209 HydrophobicContact CE2-CG1 4.16Å; Y174-I209 HydrophobicContact CE2-CG2 4.02Å; Y174-I209 HydrophobicContact CG-CG2 4.05Å; L186-I209 HydrophobicContact CB-CB 4.19Å; L186-I209 HydrophobicContact CB-CD1 3.73Å; L186-I209 HydrophobicContact CB-CG2 4.04Å; L186-I209 HydrophobicContact CD1-CB 3.87Å; L186-I209 HydrophobicContact CD1-CG2 3.92Å; L186-I209 HydrophobicContact CD2-CG2 4.19Å; L186-I209 HydrophobicContact CG-CG2 4.29Å; V204-I209 HydrophobicContact CB-CD1 4.27Å; V204-I209 HydrophobicContact CB-CG1 4.17Å; V204-I209 HydrophobicContact CG1-CD1 4.37Å; V204-I209 HydrophobicContact CG1-CG1 3.74Å; A206-I209 PolarHBondContact O-N 2.8Å
210	K	97	Very high	96.1	Very high	82 Å²	82	29 Å²	29	36%	0.357	17%	0.171	S	C	.	.	S	Bend	trans	-135.1	154.4	-179.1	-69.8	-171.3	171.6	-172.9	0	110.1	R62 W208 G212 T213	R62-K210 VanDerWaalsContact NH1-CD 3.33Å; W208-K210 PolarHBondContact O-N 3.26Å; K210-G212 PolarHBondContact O-N 3Å; K210-T213 VanDerWaalsContact O-CB 3.23Å; K210-T213 WeakPolarHBondContact O-CB 3.21Å; K210-T213 PolarHBondContact O-N 2.94Å; K210-T213 PolarHBondContact O-OG1 2.83Å
211	S	97.4	Very high	95.9	Very high	51 Å²	51	30.4 Å²	30.4	36%	0.357	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	135.2	175.5	-56.5	0	0	0	0	112.2	Y174 N176 I177 T213	Y174-S211 CarbonylContact O-C 3.54Å; Y174-S211 WeakPolarHBondContact O-CA 3.32Å; N176-S211 WeakPolarHBondContact CA-OG 3.5Å; N176-S211 PolarHBondContact N-OG 2.88Å; I177-S211 PolarHBondContact N-OG 2.85Å; I177-S211 PolarHBondContact O-OG 3.1Å; S211-T213 VanDerWaalsContact C-N 3.3Å; S211-T213 PolarHBondContact O-N 2.82Å
212	G	97.4	Very high	95.4	Very high	15 Å²	15	33.7 Å²	33.7	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	14.1	-178.5	0	0	0	0	0	114.4	R62 D63 Q64 Y174 K210	R62-G212 CarbonylContact C-O 3.54Å; D63-G212 PolarHBondContact N-O 2.8Å; Q64-G212 PolarHBondContact N-O 2.9Å; Y174-G212 PolarHBondContact O-N 2.92Å; K210-G212 PolarHBondContact O-N 3Å
213	T	98.4	Very high	94.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.2	175.9	-49.5	0	0	0	0	111	I60 Q61 H173 Y174 W208 K210 S211	I60-T213 HydrophobicContact CG2-CG2 3.45Å; I60-T213 VanDerWaalsContact CG2-CG2 3.45Å; Q61-T213 CarbonylContact O-C 3.2Å; Q61-T213 WeakPolarHBondContact O-CA 3.43Å; Q61-T213 WeakPolarHBondContact O-CG2 3.4Å; H173-T213 WeakPolarHBondContact CA-O 3.27Å; Y174-T213 PolarHBondContact N-O 3.16Å; W208-T213 VanDerWaalsContact O-CB 3.28Å; W208-T213 WeakPolarHBondContact O-CB 3.31Å; W208-T213 WeakPolarHBondContact O-CG2 3.36Å; W208-T213 PolarHBondContact O-OG1 2.94Å; K210-T213 VanDerWaalsContact O-CB 3.23Å; K210-T213 WeakPolarHBondContact O-CB 3.21Å; K210-T213 PolarHBondContact O-N 2.94Å; K210-T213 PolarHBondContact O-OG1 2.83Å; S211-T213 VanDerWaalsContact C-N 3.3Å; S211-T213 PolarHBondContact O-N 2.82Å
214	L	98.3	Very high	94.6	Very high	18 Å²	18	34.4 Å²	34.4	9%	0.094	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.7	170.4	-177.9	65.8	0	0	0	109.5	I60 Q61 Q64 P67 F172 H173 E216	I60-L214 CarbonylContact C-O 3.6Å; I60-L214 WeakPolarHBondContact CA-O 3.36Å; Q61-L214 PolarHBondContact N-O 3.4Å; Q61-L214 PolarHBondContact O-N 2.84Å; Q64-L214 HydrophobicContact CB-CB 3.78Å; Q64-L214 HydrophobicContact CG-CB 3.7Å; Q64-L214 HydrophobicContact CG-CD2 4.41Å; P67-L214 HydrophobicContact CG-CD1 3.76Å; F172-L214 CarbonylContact O-C 3.54Å; F172-L214 WeakPolarHBondContact O-CA 3.48Å; H173-L214 HydrophobicContact CB-CD1 4.18Å; L214-E216 HydrophobicContact CD2-CG 4.21Å; L214-E216 HydrophobicContact CG-CG 4.08Å
215	V	98.5	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.4	170.6	-178.3	0	0	0	0	108	M58 R59 I60 S171 F172 Y174 V204 Y217	M58-V215 HydrophobicContact CG-CG1 3.93Å; M58-V215 HydrophobicContact SD-CG1 4.14Å; R59-V215 CarbonylContact O-C 3.49Å; R59-V215 WeakPolarHBondContact O-CA 3.36Å; I60-V215 HydrophobicContact CD1-CG2 4.47Å; I60-V215 HydrophobicContact CG1-CG1 4.26Å; I60-V215 HydrophobicContact CG1-CG2 4.17Å; I60-V215 HydrophobicContact CG2-CG2 4.14Å; S171-V215 CarbonylContact C-O 3.55Å; S171-V215 WeakPolarHBondContact CA-O 3.39Å; F172-V215 HydrophobicContact CB-CB 4.23Å; F172-V215 PolarHBondContact N-O 3.3Å; F172-V215 PolarHBondContact O-N 3.2Å; Y174-V215 HydrophobicContact CE2-CG2 4.02Å; V204-V215 HydrophobicContact CG1-CG2 3.85Å; V204-V215 HydrophobicContact CG2-CB 4.4Å; V204-V215 HydrophobicContact CG2-CG1 3.92Å; V204-V215 HydrophobicContact CG2-CG2 4.04Å; V215-Y217 HydrophobicContact CG1-CD2 4.3Å; V215-Y217 HydrophobicContact CG1-CE2 3.77Å
216	E	97.4	Very high	93.7	Very high	21 Å²	21	41.5 Å²	41.5	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.1	176.3	-58.2	-177.8	102.6	0	0	110.1	M58 R59 K169 L214	M58-E216 CarbonylContact C-O 3.43Å; M58-E216 WeakPolarHBondContact CA-O 3.34Å; R59-E216 HydrophobicContact CB-CB 4.46Å; R59-E216 PolarHBondContact N-O 3.01Å; R59-E216 IonicContact NH1-OE2 2.62Å; R59-E216 PolarHBondContact O-N 3.37Å; K169-E216 HydrophobicContact CD-CB 4.41Å; K169-E216 IonicContact NZ-OE1 3.78Å; K169-E216 PolarHBondContact NZ-OE1 2.83Å; L214-E216 HydrophobicContact CD2-CG 4.21Å; L214-E216 HydrophobicContact CG-CG 4.08Å
217	Y	96.7	Very high	93.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.8	169.2	-61.7	-82	0	0	0	109.3	S57 M58 K169 V170 F172 I190 I202 V204 V215	S57-Y217 WeakPolarHBondContact O-CA 3.39Å; M58-Y217 HydrophobicContact CB-CD1 4.01Å; M58-Y217 HydrophobicContact CB-CE1 4Å; M58-Y217 HydrophobicContact CG-CD1 4.11Å; M58-Y217 HydrophobicContact CG-CE1 3.77Å; M58-Y217 HydrophobicContact SD-CE1 3.63Å; K169-Y217 CarbonylContact C-O 3.49Å; K169-Y217 VanDerWaalsContact CA-O 3.28Å; K169-Y217 WeakPolarHBondContact CA-O 3.37Å; K169-Y217 VanDerWaalsContact CG-O 3.27Å; K169-Y217 WeakPolarHBondContact CG-O 3.37Å; V170-Y217 HydrophobicContact CB-CD2 4.36Å; V170-Y217 HydrophobicContact CG1-CD2 4.47Å; V170-Y217 PolarHBondContact N-O 3.28Å; V170-Y217 PolarHBondContact O-N 2.92Å; F172-Y217 AromaticContact CD2-CE2 3.89Å; F172-Y217 HydrophobicContact CD2-CE2 3.89Å; F172-Y217 HydrophobicContact CE2-CD2 4.45Å; F172-Y217 AromaticContact CE2-CE2 3.55Å; F172-Y217 HydrophobicContact CE2-CE2 3.55Å; F172-Y217 HydrophobicContact CZ-CE2 4.11Å; I190-Y217 HydrophobicContact CD1-CD1 3.61Å; I190-Y217 HydrophobicContact CD1-CD2 4.35Å; I190-Y217 HydrophobicContact CD1-CE1 4.16Å; I190-Y217 HydrophobicContact CD1-CG 3.7Å; I190-Y217 HydrophobicContact CG1-CD1 4Å; I190-Y217 HydrophobicContact CG1-CE1 4.02Å; I190-Y217 HydrophobicContact CG1-CG 4.24Å; I190-Y217 HydrophobicContact CG2-CD2 3.96Å; I190-Y217 HydrophobicContact CG2-CE2 4.03Å; I190-Y217 HydrophobicContact CG2-CG 4.38Å; I202-Y217 HydrophobicContact CB-CE1 4.18Å; I202-Y217 HydrophobicContact CG2-CD1 4.28Å; I202-Y217 HydrophobicContact CG2-CE1 3.58Å; I202-Y217 PolarHBondContact O-OH 3.47Å; V204-Y217 HydrophobicContact CG2-CE2 4.44Å; V204-Y217 WeakPolarHBondContact CG2-OH 3.47Å; V215-Y217 HydrophobicContact CG1-CD2 4.3Å; V215-Y217 HydrophobicContact CG1-CE2 3.77Å
218	E	93.9	Very high	93.3	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131	177.2	-164.4	-176.3	153.3	0	0	110	Y56 S57 K169 I220 K264	Y56-E218 CarbonylContact C-O 3.56Å; Y56-E218 WeakPolarHBondContact CA-O 3.18Å; S57-E218 PolarHBondContact N-O 3.36Å; S57-E218 PolarHBondContact O-N 3.39Å; S57-E218 PolarHBondContact OG-O 3.4Å; K169-E218 HydrophobicContact CG-CB 4.48Å; E218-I220 PolarHBondContact O-N 3.28Å; E218-K264 WeakPolarHBondContact OE1-CE 2.88Å; E218-K264 IonicContact OE1-NZ 2.6Å; E218-K264 PolarHBondContact OE1-NZ 3.17Å; E218-K264 WeakPolarHBondContact OE2-CE 3.12Å; E218-K264 IonicContact OE2-NZ 2.61Å; E218-K264 PolarHBondContact OE2-NZ 3.49Å
219	A	92.3	Very high	93	Very high	44 Å²	44	45.7 Å²	45.7	36%	0.364	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.6	178.6	0	0	0	0	0	110.6	K55 Y56	K55-A219 CarbonylContact O-C 3.53Å; K55-A219 WeakPolarHBondContact O-CA 3.28Å; Y56-A219 HydrophobicContact CE1-CB 4.16Å
220	I	89.6	Confident	92.9	Very high	24 Å²	24	50 Å²	50	12%	0.123	27%	0.271	C	S	.	.			trans	-88.8	129.7	169.3	-57.1	171.9	0	0	0	106.3	L52 K55 Y56 E218 I253 E254	L52-I220 HydrophobicContact CD2-CD1 3.93Å; K55-I220 PolarHBondContact O-N 2.87Å; Y56-I220 VanDerWaalsContact C-CD1 3.41Å; Y56-I220 WeakPolarHBondContact O-CD1 3.45Å; E218-I220 PolarHBondContact O-N 3.28Å; I220-I253 HydrophobicContact CD1-CG2 4.33Å; I220-I253 HydrophobicContact CG2-CB 4.21Å; I220-I253 HydrophobicContact CG2-CG2 4.11Å; I220-E254 WeakPolarHBondContact CG2-OE2 3.41Å
221	G	86	Confident	92.7	Very high	30 Å²	30	51.1 Å²	51.1	31%	0.309	28%	0.278	S	S	.	.			trans	-71.6	176.2	176.2	0	0	0	0	0	111.6	S225 E254	G221-S225 PolarHBondContact O-OG 2.85Å; G221-E254 VanDerWaalsContact C-OE2 3.24Å; G221-E254 VanDerWaalsContact CA-OE1 3.24Å; G221-E254 WeakPolarHBondContact CA-OE1 3.34Å; G221-E254 WeakPolarHBondContact CA-OE2 3.49Å; G221-E254 VanDerWaalsContact N-CD 3.31Å; G221-E254 PolarHBondContact N-OE2 3.31Å
222	E	84.9	Confident	92.6	Very high	125 Å²	125	50.9 Å²	50.9	58%	0.584	27%	0.274	S	S	*	.	S	Bend	trans	-102.3	-8	-177.4	-61.7	179.8	173.5	0	0	112.9	K55 S225 E254	K55-E222 IonicContact NZ-OE1 3.61Å; K55-E222 PolarHBondContact NZ-OE1 2.89Å; E222-S225 WeakPolarHBondContact CA-OG 3.44Å; E222-S225 PolarHBondContact O-OG 3.26Å; E222-E254 PolarHBondContact N-OE1 3.42Å
223	I	86.7	Confident	92.4	Very high	85 Å²	85	50.2 Å²	50.2	44%	0.436	27%	0.267	S	S	.	.	S	Bend	trans	-78.1	-48.5	-172.8	-61.6	174.1	0	0	0	110.1	Q226 Y227 T241 E254	I223-Q226 VanDerWaalsContact O-CG 3.28Å; I223-Q226 WeakPolarHBondContact O-CG 3.49Å; I223-Q226 PolarHBondContact O-NE2 3.26Å; I223-Y227 WeakPolarHBondContact O-CD2 3.33Å; I223-Y227 WeakPolarHBondContact O-CE2 3.39Å; I223-T241 HydrophobicContact CB-CG2 4.19Å; I223-T241 HydrophobicContact CD1-CG2 4.28Å; I223-T241 HydrophobicContact CG2-CG2 4.07Å; I223-E254 WeakPolarHBondContact CA-OE1 3.39Å; I223-E254 PolarHBondContact N-OE1 3.28Å
224	C	90.7	Very high	92.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-78.9	-35.8	-179.6	-61.1	0	0	0	0	110.6	Q226 Y227 C243 C252 E254	C224-Q226 PolarHBondContact O-N 2.75Å; C224-Y227 WeakPolarHBondContact O-CD2 3.5Å; C224-Y227 PolarHBondContact O-N 3.4Å; C224-C243 HydrophobicContact CB-CB 3.84Å; C224-C243 WeakPolarHBondContact CB-SG 3.48Å; C224-C243 WeakPolarHBondContact SG-CA 3.42Å; C224-C243 WeakPolarHBondContact SG-CB 3.1Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.82Å; C224-C252 WeakPolarHBondContact O-CB 3.43Å; C224-C252 PolarHBondContact O-SG 2.88Å; C224-C252 VanDerWaalsContact O-SG 3.33Å; C224-E254 HydrophobicContact CB-CG 4.05Å; C224-E254 PolarHBondContact N-OE1 3.22Å; C224-E254 VanDerWaalsContact SG-CG 3.55Å
225	S	88.2	Confident	91.9	Very high	67 Å²	67	63 Å²	63	47%	0.469	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17	-175.3	68.4	0	0	0	0	114.8	G221 E222 Y227 C252	G221-S225 PolarHBondContact O-OG 2.85Å; E222-S225 WeakPolarHBondContact CA-OG 3.44Å; E222-S225 PolarHBondContact O-OG 3.26Å; S225-Y227 VanDerWaalsContact C-N 3.3Å; S225-C252 WeakPolarHBondContact CA-O 3.36Å
226	Q	88.2	Confident	91.6	Very high	125 Å²	125	63.6 Å²	63.6	58%	0.584	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.5	175.8	76	-169.3	-40	0	0	113.5	I223 C224	I223-Q226 VanDerWaalsContact O-CG 3.28Å; I223-Q226 WeakPolarHBondContact O-CG 3.49Å; I223-Q226 PolarHBondContact O-NE2 3.26Å; C224-Q226 PolarHBondContact O-N 2.75Å
227	Y	91.4	Very high	91.3	Very high	73 Å²	73	65.5 Å²	65.5	29%	0.286	34%	0.338	S	S	.	.			trans	-92.1	126.4	-178	-56.9	-71.9	0	0	0	110.9	I223 C224 S225 A236 C252	I223-Y227 WeakPolarHBondContact O-CD2 3.33Å; I223-Y227 WeakPolarHBondContact O-CE2 3.39Å; C224-Y227 WeakPolarHBondContact O-CD2 3.5Å; C224-Y227 PolarHBondContact O-N 3.4Å; S225-Y227 VanDerWaalsContact C-N 3.3Å; Y227-A236 HydrophobicContact CD2-CB 3.52Å; Y227-A236 HydrophobicContact CE1-CB 4.24Å; Y227-A236 HydrophobicContact CE2-CB 3.04Å; Y227-A236 HydrophobicContact CG-CB 4.3Å; Y227-A236 VanDerWaalsContact CZ-CB 3.44Å; Y227-C252 WeakPolarHBondContact O-CB 3.24Å
228	N	91.1	Very high	90.9	Very high	125 Å²	125	69 Å²	69	67%	0.668	36%	0.36	S	S	*	.			trans	-109.1	8	-172.7	64.6	-5.5	0	0	0	113.8	W245	N228-W245 WeakPolarHBondContact O-CH2 3.46Å
229	T	92.5	Very high	90.5	Very high	48 Å²	48	73.9 Å²	73.9	29%	0.294	40%	0.396	S	S	.	.	S	Bend	trans	-130.4	153.3	172	88.1	0	0	0	0	110.8	E231 T232 C233 W245	T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 WeakPolarHBondContact CB-OE2 3.37Å; T229-E231 PolarHBondContact O-N 2.86Å; T229-E231 PolarHBondContact OG1-OE2 3.03Å; T229-T232 PolarHBondContact N-OG1 3.4Å; T229-T232 PolarHBondContact O-N 3.14Å; T229-T232 PolarHBondContact O-OG1 3.45Å; T229-T232 PolarHBondContact OG1-N 3.49Å; T229-T232 PolarHBondContact OG1-OG1 1.99Å; T229-C233 WeakPolarHBondContact O-CB 3.48Å; T229-C233 PolarHBondContact O-N 3.45Å; T229-W245 VanDerWaalsContact C-CZ3 3.49Å
230	K	93.7	Very high	90.2	Very high	91 Å²	91	80.3 Å²	80.3	40%	0.396	42%	0.416	S	S	.	.	H	α-helix	trans	-55.3	-44.8	176.1	-175.7	172.4	-172.5	160.9	0	112.3	L234 W245 E247	K230-L234 HydrophobicContact CG-CD1 3.96Å; K230-L234 WeakPolarHBondContact O-CB 3.17Å; K230-L234 VanDerWaalsContact O-CG 3.24Å; K230-L234 WeakPolarHBondContact O-CG 3.41Å; K230-L234 PolarHBondContact O-N 2.65Å; K230-W245 HydrophobicContact CB-CD2 3.95Å; K230-W245 HydrophobicContact CB-CG 3.84Å; K230-W245 HydrophobicContact CD-CG 4.49Å; K230-W245 HydrophobicContact CG-CB 4.11Å; K230-W245 HydrophobicContact CG-CD2 4.47Å; K230-W245 HydrophobicContact CG-CG 3.83Å; K230-E247 IonicContact NZ-OE2 3.17Å; K230-E247 PolarHBondContact NZ-OE2 2.91Å; K230-E247 VanDerWaalsContact NZ-OE2 3.17Å
231	E	93.6	Very high	90.1	Very high	105 Å²	105	79.8 Å²	79.8	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-67.4	-43.2	-176.6	-56.1	70.1	-150.8	0	0	111.4	T229 R235	T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 WeakPolarHBondContact CB-OE2 3.37Å; T229-E231 PolarHBondContact O-N 2.86Å; T229-E231 PolarHBondContact OG1-OE2 3.03Å; E231-R235 WeakPolarHBondContact O-CB 3.02Å; E231-R235 WeakPolarHBondContact O-CD 3.4Å; E231-R235 WeakPolarHBondContact O-CG 3.33Å; E231-R235 PolarHBondContact O-N 3.39Å; E231-R235 VanDerWaalsContact O-N 3.16Å
232	T	95	Very high	90.4	Very high	47 Å²	47	81.4 Å²	81.4	29%	0.288	42%	0.415	S	S	.	.	H	α-helix	trans	-70.6	-40.1	179.6	53	0	0	0	0	111.3	T229 R235 A236	T229-T232 PolarHBondContact N-OG1 3.4Å; T229-T232 PolarHBondContact O-N 3.14Å; T229-T232 PolarHBondContact O-OG1 3.45Å; T229-T232 PolarHBondContact OG1-N 3.49Å; T229-T232 PolarHBondContact OG1-OG1 1.99Å; T232-R235 PolarHBondContact O-N 3.04Å; T232-A236 PolarHBondContact O-N 3.01Å; T232-A236 VanDerWaalsContact O-N 3.16Å
233	C	94.4	Very high	90.7	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-56.8	-54	173.6	178.8	0	0	0	0	112.2	T229 R235 A236 C243 I244 W245 C252	T229-C233 WeakPolarHBondContact O-CB 3.48Å; T229-C233 PolarHBondContact O-N 3.45Å; C233-R235 VanDerWaalsContact C-N 3.33Å; C233-R235 PolarHBondContact O-N 2.78Å; C233-A236 WeakPolarHBondContact O-CB 3.39Å; C233-A236 PolarHBondContact O-N 3.24Å; C233-A236 VanDerWaalsContact O-N 3.16Å; C233-C243 WeakPolarHBondContact O-CB 3.11Å; C233-I244 PolarHBondContact SG-O 2.77Å; C233-I244 VanDerWaalsContact SG-O 3.38Å; C233-W245 HydrophobicContact CB-CE3 3.7Å; C233-W245 HydrophobicContact CB-CZ3 4.37Å; C233-C252 WeakPolarHBondContact CA-SG 3.45Å; C233-C252 HydrophobicContact CB-CB 3.57Å; C233-C252 WeakPolarHBondContact CB-SG 3.44Å; C233-C252 WeakPolarHBondContact SG-CB 3.3Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.26Å
234	L	92.7	Very high	91	Very high	90 Å²	90	72.2 Å²	72.2	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-36.7	-176.9	-66.6	174.5	0	0	0	112.1	K230 A236 T237	K230-L234 HydrophobicContact CG-CD1 3.96Å; K230-L234 WeakPolarHBondContact O-CB 3.17Å; K230-L234 VanDerWaalsContact O-CG 3.24Å; K230-L234 WeakPolarHBondContact O-CG 3.41Å; K230-L234 PolarHBondContact O-N 2.65Å; L234-A236 PolarHBondContact O-N 3.09Å; L234-T237 WeakPolarHBondContact O-CB 3.47Å; L234-T237 PolarHBondContact O-N 3.34Å; L234-T237 PolarHBondContact O-OG1 3.24Å
235	R	93.2	Very high	91.1	Very high	198 Å²	198	73.2 Å²	73.2	75%	0.747	38%	0.375	S	S	*	.	H	α-helix	trans	-67.8	-21.6	176.2	-75.6	175.5	-174.3	149.3	3.3	114	E231 T232 C233 T237	E231-R235 WeakPolarHBondContact O-CB 3.02Å; E231-R235 WeakPolarHBondContact O-CD 3.4Å; E231-R235 WeakPolarHBondContact O-CG 3.33Å; E231-R235 PolarHBondContact O-N 3.39Å; E231-R235 VanDerWaalsContact O-N 3.16Å; T232-R235 PolarHBondContact O-N 3.04Å; C233-R235 VanDerWaalsContact C-N 3.33Å; C233-R235 PolarHBondContact O-N 2.78Å; R235-T237 PolarHBondContact O-N 3.03Å
236	A	92	Very high	91.3	Very high	12 Å²	12	70 Å²	70	10%	0.099	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.7	178.9	0	0	0	0	0	113.7	Y227 T232 C233 L234 T238	Y227-A236 HydrophobicContact CD2-CB 3.52Å; Y227-A236 HydrophobicContact CE1-CB 4.24Å; Y227-A236 HydrophobicContact CE2-CB 3.04Å; Y227-A236 HydrophobicContact CG-CB 4.3Å; Y227-A236 VanDerWaalsContact CZ-CB 3.44Å; T232-A236 PolarHBondContact O-N 3.01Å; T232-A236 VanDerWaalsContact O-N 3.16Å; C233-A236 WeakPolarHBondContact O-CB 3.39Å; C233-A236 PolarHBondContact O-N 3.24Å; C233-A236 VanDerWaalsContact O-N 3.16Å; L234-A236 PolarHBondContact O-N 3.09Å; A236-T238 PolarHBondContact O-N 2.82Å
237	T	90.4	Very high	91.4	Very high	60 Å²	60	69.6 Å²	69.6	37%	0.368	35%	0.35	S	S	.	.			trans	-61.9	128.3	176.1	-65.1	0	0	0	0	110.8	L234 R235 T241 I242 C243	L234-T237 WeakPolarHBondContact O-CB 3.47Å; L234-T237 PolarHBondContact O-N 3.34Å; L234-T237 PolarHBondContact O-OG1 3.24Å; R235-T237 PolarHBondContact O-N 3.03Å; T237-T241 CarbonylContact C-O 3.59Å; T237-T241 WeakPolarHBondContact CA-O 3.4Å; T237-I242 HydrophobicContact CG2-CB 4.43Å; T237-I242 HydrophobicContact CG2-CG1 4.38Å; T237-I242 HydrophobicContact CG2-CG2 4.24Å; T237-C243 PolarHBondContact OG1-N 2.88Å; T237-C243 PolarHBondContact OG1-O 2.91Å
238	T	89.4	Confident	91.2	Very high	75 Å²	75	72.2 Å²	72.2	46%	0.46	36%	0.363	S	S	.	.			trans	-124.8	177.3	176.3	67.7	0	0	0	0	110.2	A236 K240 T241	A236-T238 PolarHBondContact O-N 2.82Å; T238-K240 PolarHBondContact O-N 3.41Å; T238-K240 PolarHBondContact OG1-N 3.42Å; T238-T241 PolarHBondContact N-O 3.39Å; T238-T241 PolarHBondContact O-N 2.81Å; T238-T241 PolarHBondContact OG1-N 2.93Å; T238-T241 VanDerWaalsContact OG1-N 3.13Å
239	S	84.6	Confident	90.9	Very high	127 Å²	127	66.5 Å²	66.5	89%	0.888	33%	0.333	S	S	*	.	S	Bend	trans	-62.7	-19.5	174.5	56.5	0	0	0	0	114.3
240	K	85.4	Confident	90.7	Very high	180 Å²	180	69.7 Å²	69.7	78%	0.783	35%	0.349	S	S	*	.	S	Bend	trans	-108.5	-17.2	-178.8	-65.7	-175.7	179.7	-179.1	0	113.6	T238	T238-K240 PolarHBondContact O-N 3.41Å; T238-K240 PolarHBondContact OG1-N 3.42Å
241	T	88.9	Confident	90.5	Very high	13 Å²	13	66.3 Å²	66.3	8%	0.08	34%	0.338	C	S	.	.			trans	-140.4	115.9	-173.7	-56.6	0	0	0	0	109.5	I223 T237 T238 E254 N256	I223-T241 HydrophobicContact CB-CG2 4.19Å; I223-T241 HydrophobicContact CD1-CG2 4.28Å; I223-T241 HydrophobicContact CG2-CG2 4.07Å; T237-T241 CarbonylContact C-O 3.59Å; T237-T241 WeakPolarHBondContact CA-O 3.4Å; T238-T241 PolarHBondContact N-O 3.39Å; T238-T241 PolarHBondContact O-N 2.81Å; T238-T241 PolarHBondContact OG1-N 2.93Å; T238-T241 VanDerWaalsContact OG1-N 3.13Å; T241-E254 HydrophobicContact CG2-CG 3.96Å; T241-N256 VanDerWaalsContact CA-OD1 3.22Å; T241-N256 WeakPolarHBondContact CA-OD1 3.35Å
242	I	91.1	Very high	90.5	Very high	63 Å²	63	61.5 Å²	61.5	32%	0.323	32%	0.316	S	S	.	.			trans	-100	122	177	-56.7	171.3	0	0	0	108	T237 I244 E254 S255 N256	T237-I242 HydrophobicContact CG2-CB 4.43Å; T237-I242 HydrophobicContact CG2-CG1 4.38Å; T237-I242 HydrophobicContact CG2-CG2 4.24Å; I242-I244 HydrophobicContact CG2-CG2 4.5Å; I242-E254 CarbonylContact O-C 3.54Å; I242-E254 WeakPolarHBondContact O-CA 3.38Å; I242-S255 PolarHBondContact O-N 3.29Å; I242-N256 PolarHBondContact N-OD1 3.31Å
243	C	92.6	Very high	90.3	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.4	177.9	-63.3	0	0	0	0	110.3	C224 C233 T237	C224-C243 HydrophobicContact CB-CB 3.84Å; C224-C243 WeakPolarHBondContact CB-SG 3.48Å; C224-C243 WeakPolarHBondContact SG-CA 3.42Å; C224-C243 WeakPolarHBondContact SG-CB 3.1Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.82Å; C233-C243 WeakPolarHBondContact O-CB 3.11Å; T237-C243 PolarHBondContact OG1-N 2.88Å; T237-C243 PolarHBondContact OG1-O 2.91Å
244	I	92.7	Very high	90.2	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.072	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143	174.7	65.5	172.4	0	0	0	110	C233 I242 C252 I253 K264 V265 C268	C233-I244 PolarHBondContact SG-O 2.77Å; C233-I244 VanDerWaalsContact SG-O 3.38Å; I242-I244 HydrophobicContact CG2-CG2 4.5Å; I244-C252 WeakPolarHBondContact O-CA 3.36Å; I244-I253 HydrophobicContact CD1-CD1 3.92Å; I244-I253 HydrophobicContact CD1-CG1 3.82Å; I244-I253 HydrophobicContact CG1-CD1 4.09Å; I244-I253 HydrophobicContact CG1-CG1 3.41Å; I244-I253 VanDerWaalsContact CG1-CG1 3.41Å; I244-I253 PolarHBondContact N-O 2.95Å; I244-I253 PolarHBondContact O-N 2.87Å; I244-K264 HydrophobicContact CD1-CB 3.62Å; I244-V265 HydrophobicContact CD1-CG2 4.45Å; I244-V265 HydrophobicContact CG2-CG2 3.87Å; I244-C268 HydrophobicContact CD1-CB 4.41Å
245	W	93.3	Very high	89.9	Confident	22 Å²	22	55.5 Å²	55.5	8%	0.083	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127	177.2	-176.2	-105.7	0	0	0	110.3	N228 T229 K230 C233 E247 N250 C252	N228-W245 WeakPolarHBondContact O-CH2 3.46Å; T229-W245 VanDerWaalsContact C-CZ3 3.49Å; K230-W245 HydrophobicContact CB-CD2 3.95Å; K230-W245 HydrophobicContact CB-CG 3.84Å; K230-W245 HydrophobicContact CD-CG 4.49Å; K230-W245 HydrophobicContact CG-CB 4.11Å; K230-W245 HydrophobicContact CG-CD2 4.47Å; K230-W245 HydrophobicContact CG-CG 3.83Å; C233-W245 HydrophobicContact CB-CE3 3.7Å; C233-W245 HydrophobicContact CB-CZ3 4.37Å; W245-E247 VanDerWaalsContact CD1-OE2 3.28Å; W245-E247 PolarHBondContact NE1-OE2 2.77Å; W245-N250 WeakPolarHBondContact CH2-OD1 3.19Å; W245-N250 WeakPolarHBondContact CZ2-OD1 3.4Å; W245-C252 HydrophobicContact CE3-CB 3.95Å; W245-C252 HydrophobicContact CZ3-CB 4.12Å
246	C	91.8	Very high	89.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	99.8	175.1	-53.3	0	0	0	0	108.9	K248 G249 N250 A251 I253 C268	C246-K248 PolarHBondContact O-N 3.32Å; C246-G249 CarbonylContact O-C 3.48Å; C246-G249 WeakPolarHBondContact O-CA 3.24Å; C246-G249 PolarHBondContact O-N 3.17Å; C246-N250 PolarHBondContact O-N 3.34Å; C246-A251 PolarHBondContact N-O 2.87Å; C246-A251 PolarHBondContact O-N 3.24Å; C246-I253 WeakPolarHBondContact SG-CD1 3.48Å; C246-C268 HydrophobicContact CB-CB 3.65Å; C246-C268 WeakPolarHBondContact CB-SG 3.37Å; C246-C268 WeakPolarHBondContact SG-CB 3.36Å; C246-C268 CovalentContact SG-SG 2.03Å; C246-C268 PolarHBondContact SG-SG 3.42Å
247	E	89.8	Confident	88.8	Confident	115 Å²	115	50.3 Å²	50.3	54%	0.537	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-50.1	-168.7	-164	76	-149.2	0	0	111.7	K230 W245 G249 N250 C268	K230-E247 IonicContact NZ-OE2 3.17Å; K230-E247 PolarHBondContact NZ-OE2 2.91Å; K230-E247 VanDerWaalsContact NZ-OE2 3.17Å; W245-E247 VanDerWaalsContact CD1-OE2 3.28Å; W245-E247 PolarHBondContact NE1-OE2 2.77Å; E247-G249 PolarHBondContact O-N 3.03Å; E247-N250 PolarHBondContact O-N 3.33Å; E247-C268 PolarHBondContact N-O 2.85Å
248	K	87.1	Confident	88.2	Confident	129 Å²	129	55.9 Å²	55.9	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-26.6	176.4	-179.9	163.1	159.2	-155.9	0	112.8	V41 I42 C246 N250	V41-K248 WeakPolarHBondContact O-CE 3.22Å; V41-K248 PolarHBondContact O-NZ 2.93Å; I42-K248 HydrophobicContact CG2-CB 4.49Å; I42-K248 WeakPolarHBondContact O-CD 3.44Å; I42-K248 WeakPolarHBondContact O-CE 3.36Å; I42-K248 PolarHBondContact O-NZ 2.67Å; C246-K248 PolarHBondContact O-N 3.32Å; K248-N250 VanDerWaalsContact C-N 3.34Å
249	G	84	Confident	87.8	Confident	4 Å²	4	59.2 Å²	59.2	4%	0.041	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.9	176.8	0	0	0	0	0	114	N40 C246 E247 A251	N40-G249 VanDerWaalsContact ND2-CA 3.32Å; N40-G249 WeakPolarHBondContact ND2-CA 3.36Å; N40-G249 PolarHBondContact ND2-O 2.98Å; C246-G249 CarbonylContact O-C 3.48Å; C246-G249 WeakPolarHBondContact O-CA 3.24Å; C246-G249 PolarHBondContact O-N 3.17Å; E247-G249 PolarHBondContact O-N 3.03Å; G249-A251 PolarHBondContact O-N 2.76Å
250	N	88.8	Confident	87.7	Confident	116 Å²	116	53.6 Å²	53.6	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	42.3	-163.1	-167.2	43.7	0	0	0	112.1	W245 C246 E247 K248	W245-N250 WeakPolarHBondContact CH2-OD1 3.19Å; W245-N250 WeakPolarHBondContact CZ2-OD1 3.4Å; C246-N250 PolarHBondContact O-N 3.34Å; E247-N250 PolarHBondContact O-N 3.33Å; K248-N250 VanDerWaalsContact C-N 3.34Å
251	A	90.8	Very high	87.6	Confident	19 Å²	19	47.7 Å²	47.7	16%	0.157	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.4	-171.7	0	0	0	0	0	110.9	L52 C246 G249	L52-A251 HydrophobicContact CD1-CB 3.85Å; C246-A251 PolarHBondContact N-O 2.87Å; C246-A251 PolarHBondContact O-N 3.24Å; G249-A251 PolarHBondContact O-N 2.76Å
252	C	91.9	Very high	87.4	Confident	4 Å²	4	49 Å²	49	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.6	171.9	-172.2	0	0	0	0	109.5	C224 S225 Y227 C233 I244 W245	C224-C252 WeakPolarHBondContact O-CB 3.43Å; C224-C252 PolarHBondContact O-SG 2.88Å; C224-C252 VanDerWaalsContact O-SG 3.33Å; S225-C252 WeakPolarHBondContact CA-O 3.36Å; Y227-C252 WeakPolarHBondContact O-CB 3.24Å; C233-C252 WeakPolarHBondContact CA-SG 3.45Å; C233-C252 HydrophobicContact CB-CB 3.57Å; C233-C252 WeakPolarHBondContact CB-SG 3.44Å; C233-C252 WeakPolarHBondContact SG-CB 3.3Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.26Å; I244-C252 WeakPolarHBondContact O-CA 3.36Å; W245-C252 HydrophobicContact CE3-CB 3.95Å; W245-C252 HydrophobicContact CZ3-CB 4.12Å
253	I	91.9	Very high	87	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.3	-178.1	67.7	174	0	0	0	111.6	Y50 L52 I220 I244 C246	Y50-I253 WeakPolarHBondContact OH-CD1 3.42Å; L52-I253 HydrophobicContact CD1-CG2 4.08Å; L52-I253 HydrophobicContact CD2-CD1 4.31Å; L52-I253 HydrophobicContact CD2-CG2 4.15Å; I220-I253 HydrophobicContact CD1-CG2 4.33Å; I220-I253 HydrophobicContact CG2-CB 4.21Å; I220-I253 HydrophobicContact CG2-CG2 4.11Å; I244-I253 HydrophobicContact CD1-CD1 3.92Å; I244-I253 HydrophobicContact CD1-CG1 3.82Å; I244-I253 HydrophobicContact CG1-CD1 4.09Å; I244-I253 HydrophobicContact CG1-CG1 3.41Å; I244-I253 VanDerWaalsContact CG1-CG1 3.41Å; I244-I253 PolarHBondContact N-O 2.95Å; I244-I253 PolarHBondContact O-N 2.87Å; C246-I253 WeakPolarHBondContact SG-CD1 3.48Å
254	E	91.3	Very high	86.7	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.5	171.5	-69.2	75.7	179.7	0	0	111.7	I220 G221 E222 I223 C224 T241 I242 K264	I220-E254 WeakPolarHBondContact CG2-OE2 3.41Å; G221-E254 VanDerWaalsContact C-OE2 3.24Å; G221-E254 VanDerWaalsContact CA-OE1 3.24Å; G221-E254 WeakPolarHBondContact CA-OE1 3.34Å; G221-E254 WeakPolarHBondContact CA-OE2 3.49Å; G221-E254 VanDerWaalsContact N-CD 3.31Å; G221-E254 PolarHBondContact N-OE2 3.31Å; E222-E254 PolarHBondContact N-OE1 3.42Å; I223-E254 WeakPolarHBondContact CA-OE1 3.39Å; I223-E254 PolarHBondContact N-OE1 3.28Å; C224-E254 HydrophobicContact CB-CG 4.05Å; C224-E254 PolarHBondContact N-OE1 3.22Å; C224-E254 VanDerWaalsContact SG-CG 3.55Å; T241-E254 HydrophobicContact CG2-CG 3.96Å; I242-E254 CarbonylContact O-C 3.54Å; I242-E254 WeakPolarHBondContact O-CA 3.38Å; E254-K264 PolarHBondContact O-NZ 3.04Å
255	S	87.7	Confident	86.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.			trans	-133.1	56.6	177.3	-161.9	0	0	0	0	109.9	I242 H261	I242-S255 PolarHBondContact O-N 3.29Å; S255-H261 WeakPolarHBondContact CB-ND1 3.36Å; S255-H261 PolarHBondContact O-ND1 3.4Å; S255-H261 WeakPolarHBondContact OG-CA 3.22Å; S255-H261 PolarHBondContact OG-ND1 3.15Å
256	N	79.7	Confident	86.1	Confident	75 Å²	75	53.9 Å²	53.9	40%	0.401	28%	0.284	S	S	.	.			trans	-85.1	-21.7	-171.9	-59.9	-21.8	0	0	0	113.5	T241 I242 Q258	T241-N256 VanDerWaalsContact CA-OD1 3.22Å; T241-N256 WeakPolarHBondContact CA-OD1 3.35Å; I242-N256 PolarHBondContact N-OD1 3.31Å; N256-Q258 PolarHBondContact O-N 2.77Å
257	D	81.4	Confident	85.9	Confident	26 Å²	26	54.4 Å²	54.4	14%	0.139	29%	0.287	C	S	.	.			trans	-76.5	112.6	173.1	-178.3	-5.5	0	0	0	109.3	N259 T260 H261	D257-N259 PolarHBondContact O-N 3.18Å; D257-N259 WeakPolarHBondContact OD1-CB 3.32Å; D257-N259 PolarHBondContact OD1-N 2.82Å; D257-N259 PolarHBondContact OD1-ND2 3.36Å; D257-T260 WeakPolarHBondContact CB-OG1 3.42Å; D257-T260 PolarHBondContact O-N 3.34Å; D257-H261 WeakPolarHBondContact O-CA 3.39Å; D257-H261 WeakPolarHBondContact O-CB 3.43Å; D257-H261 PolarHBondContact O-N 3.36Å
258	Q	78.8	Confident	85.8	Confident	178 Å²	178	49.1 Å²	49.1	83%	0.832	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.4	-179.9	-66.9	-175.7	-8.7	0	0	112.5	N256	N256-Q258 PolarHBondContact O-N 2.77Å
259	N	80	Confident	85.5	Confident	145 Å²	145	51.4 Å²	51.4	78%	0.775	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-32.8	-178.9	-59.8	-48.1	0	0	0	112	D257	D257-N259 PolarHBondContact O-N 3.18Å; D257-N259 WeakPolarHBondContact OD1-CB 3.32Å; D257-N259 PolarHBondContact OD1-N 2.82Å; D257-N259 PolarHBondContact OD1-ND2 3.36Å
260	T	81.9	Confident	84.7	Confident	8 Å²	8	54.6 Å²	54.6	5%	0.049	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-5.2	-179.5	68.3	0	0	0	0	113.1	D257 G262 L263 K264	D257-T260 WeakPolarHBondContact CB-OG1 3.42Å; D257-T260 PolarHBondContact O-N 3.34Å; T260-G262 PolarHBondContact O-N 3.01Å; T260-L263 WeakPolarHBondContact O-CB 3.26Å; T260-L263 PolarHBondContact O-N 2.78Å; T260-L263 VanDerWaalsContact O-N 3.08Å; T260-K264 PolarHBondContact O-N 3.1Å
261	H	83.5	Confident	82.9	Confident	56 Å²	56	57.3 Å²	57.3	26%	0.259	30%	0.295	S	S	.	.	H	α-helix	trans	-53.4	-52.9	-175.3	178	76.4	0	0	0	112.6	S255 D257 L263 K264 V265	S255-H261 WeakPolarHBondContact CB-ND1 3.36Å; S255-H261 PolarHBondContact O-ND1 3.4Å; S255-H261 WeakPolarHBondContact OG-CA 3.22Å; S255-H261 PolarHBondContact OG-ND1 3.15Å; D257-H261 WeakPolarHBondContact O-CA 3.39Å; D257-H261 WeakPolarHBondContact O-CB 3.43Å; D257-H261 PolarHBondContact O-N 3.36Å; H261-L263 VanDerWaalsContact C-N 3.3Å; H261-L263 PolarHBondContact O-N 2.99Å; H261-K264 PolarHBondContact O-N 3.37Å; H261-V265 WeakPolarHBondContact O-CG2 3.32Å; H261-V265 PolarHBondContact O-N 3.38Å
262	G	84.4	Confident	80.7	Confident	40 Å²	40	66.1 Å²	66.1	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-38	179.3	0	0	0	0	0	112.9	T260 V265 N266	T260-G262 PolarHBondContact O-N 3.01Å; G262-V265 PolarHBondContact O-N 2.97Å; G262-N266 VanDerWaalsContact O-CG 3.25Å; G262-N266 PolarHBondContact O-N 3.43Å; G262-N266 VanDerWaalsContact O-N 3.08Å; G262-N266 PolarHBondContact O-ND2 3.26Å
263	L	84.3	Confident	78.2	Confident	78 Å²	78	75.6 Å²	75.6	41%	0.408	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-50.5	176.4	-64	174.7	0	0	0	110.7	T260 H261 V265 N266 D267	T260-L263 WeakPolarHBondContact O-CB 3.26Å; T260-L263 PolarHBondContact O-N 2.78Å; T260-L263 VanDerWaalsContact O-N 3.08Å; H261-L263 VanDerWaalsContact C-N 3.3Å; H261-L263 PolarHBondContact O-N 2.99Å; L263-V265 VanDerWaalsContact C-N 3.29Å; L263-V265 PolarHBondContact O-N 3.3Å; L263-N266 PolarHBondContact O-N 3.19Å; L263-N266 VanDerWaalsContact O-N 3.09Å; L263-D267 WeakPolarHBondContact O-CB 3.21Å; L263-D267 PolarHBondContact O-N 3.08Å
264	K	86.1	Confident	75.4	Confident	3 Å²	3	80 Å²	80	1%	0.013	40%	0.402	C	S	.	.	H	α-helix	trans	-60.4	-38.8	178.6	-68.5	-168	-173.1	-172.6	0	112.6	E218 I244 E254 T260 H261 N266 D267 C268	E218-K264 WeakPolarHBondContact OE1-CE 2.88Å; E218-K264 IonicContact OE1-NZ 2.6Å; E218-K264 PolarHBondContact OE1-NZ 3.17Å; E218-K264 WeakPolarHBondContact OE2-CE 3.12Å; E218-K264 IonicContact OE2-NZ 2.61Å; E218-K264 PolarHBondContact OE2-NZ 3.49Å; I244-K264 HydrophobicContact CD1-CB 3.62Å; E254-K264 PolarHBondContact O-NZ 3.04Å; T260-K264 PolarHBondContact O-N 3.1Å; H261-K264 PolarHBondContact O-N 3.37Å; K264-N266 VanDerWaalsContact C-N 3.35Å; K264-D267 PolarHBondContact O-N 3.37Å; K264-C268 WeakPolarHBondContact O-CB 3.11Å; K264-C268 PolarHBondContact O-N 3.09Å
265	V	87.3	Confident	72.6	Confident	16 Å²	16	87.6 Å²	87.6	10%	0.097	44%	0.443	C	S	.	.	H	α-helix	trans	-59.8	-47.5	174.9	169.8	0	0	0	0	110.5	I244 H261 G262 L263 C268 R269	I244-V265 HydrophobicContact CD1-CG2 4.45Å; I244-V265 HydrophobicContact CG2-CG2 3.87Å; H261-V265 WeakPolarHBondContact O-CG2 3.32Å; H261-V265 PolarHBondContact O-N 3.38Å; G262-V265 PolarHBondContact O-N 2.97Å; L263-V265 VanDerWaalsContact C-N 3.29Å; L263-V265 PolarHBondContact O-N 3.3Å; V265-C268 PolarHBondContact O-N 2.76Å; V265-R269 HydrophobicContact CG1-CG 4.28Å; V265-R269 VanDerWaalsContact CG1-CZ 3.46Å; V265-R269 VanDerWaalsContact O-CB 3.27Å; V265-R269 WeakPolarHBondContact O-CB 3.21Å; V265-R269 VanDerWaalsContact O-CG 3.24Å; V265-R269 WeakPolarHBondContact O-CG 3.37Å; V265-R269 PolarHBondContact O-N 3.44Å
266	N	86.2	Confident	70.1	Confident	109 Å²	109	92.9 Å²	92.9	58%	0.583	48%	0.475	S	S	*	.	H	α-helix	trans	-65	-41	178.5	-67.9	-17.3	0	0	0	111.9	G262 L263 K264 C268 R269	G262-N266 VanDerWaalsContact O-CG 3.25Å; G262-N266 PolarHBondContact O-N 3.43Å; G262-N266 VanDerWaalsContact O-N 3.08Å; G262-N266 PolarHBondContact O-ND2 3.26Å; L263-N266 PolarHBondContact O-N 3.19Å; L263-N266 VanDerWaalsContact O-N 3.09Å; K264-N266 VanDerWaalsContact C-N 3.35Å; N266-C268 PolarHBondContact O-N 2.81Å; N266-R269 PolarHBondContact O-N 2.62Å
267	D	87.4	Confident	67.9	Low	11 Å²	11	96.7 Å²	96.7	6%	0.059	50%	0.495	C	S	.	.	H	α-helix	trans	-58.4	-37.7	177.5	-65.6	-26.2	0	0	0	112.2	I42 Y48 Y50 R59 L263 K264	I42-D267 WeakPolarHBondContact CG2-O 3.42Å; Y48-D267 WeakPolarHBondContact CE1-OD1 3.34Å; Y48-D267 VanDerWaalsContact CZ-OD1 3.23Å; Y48-D267 PolarHBondContact OH-OD1 2.8Å; Y48-D267 PolarHBondContact OH-OD2 3.42Å; Y50-D267 HydrophobicContact CD1-CB 3.6Å; Y50-D267 HydrophobicContact CD2-CB 4.38Å; Y50-D267 HydrophobicContact CE1-CB 3.95Å; Y50-D267 HydrophobicContact CG-CB 3.84Å; R59-D267 IonicContact CZ-OD2 2.8Å; R59-D267 IonicContact NE-OD2 3.7Å; R59-D267 PolarHBondContact NE-OD2 2.99Å; R59-D267 VanDerWaalsContact NE-OD2 3.17Å; R59-D267 IonicContact NH2-OD2 2.77Å; R59-D267 PolarHBondContact NH2-OD2 3.13Å; L263-D267 WeakPolarHBondContact O-CB 3.21Å; L263-D267 PolarHBondContact O-N 3.08Å; K264-D267 PolarHBondContact O-N 3.37Å
268	C	87.8	Confident	65.6	Low	4 Å²	4	102.8 Å²	102.8	3%	0.027	53%	0.527	C	S	.	.	H	α-helix	trans	-89.7	-17.5	-176.5	-78.2	0	0	0	0	114.6	I244 C246 E247 K264 V265 N266	I244-C268 HydrophobicContact CD1-CB 4.41Å; C246-C268 HydrophobicContact CB-CB 3.65Å; C246-C268 WeakPolarHBondContact CB-SG 3.37Å; C246-C268 WeakPolarHBondContact SG-CB 3.36Å; C246-C268 CovalentContact SG-SG 2.03Å; C246-C268 PolarHBondContact SG-SG 3.42Å; E247-C268 PolarHBondContact N-O 2.85Å; K264-C268 WeakPolarHBondContact O-CB 3.11Å; K264-C268 PolarHBondContact O-N 3.09Å; V265-C268 PolarHBondContact O-N 2.76Å; N266-C268 PolarHBondContact O-N 2.81Å
269	R	80.6	Confident	63.3	Low	177 Å²	177	101.6 Å²	101.6	67%	0.668	53%	0.526	S	S	*	.			trans	-93.2	8.1	-175.5	-81.1	-173.7	-177.3	177.1	5.2	115.1	V265 N266 E271	V265-R269 HydrophobicContact CG1-CG 4.28Å; V265-R269 VanDerWaalsContact CG1-CZ 3.46Å; V265-R269 VanDerWaalsContact O-CB 3.27Å; V265-R269 WeakPolarHBondContact O-CB 3.21Å; V265-R269 VanDerWaalsContact O-CG 3.24Å; V265-R269 WeakPolarHBondContact O-CG 3.37Å; V265-R269 PolarHBondContact O-N 3.44Å; N266-R269 PolarHBondContact O-N 2.62Å; R269-E271 VanDerWaalsContact C-N 3.31Å; R269-E271 PolarHBondContact O-N 2.61Å
270	V	66.1	Low	60.9	Low	71 Å²	71	101.8 Å²	101.8	43%	0.43	53%	0.527	S	S	.	.			trans	-53.7	93.8	-174.5	-177	0	0	0	0	111	I43	I43-V270 HydrophobicContact CB-CG2 4.08Å; I43-V270 HydrophobicContact CD1-CG1 4.18Å; I43-V270 HydrophobicContact CD1-CG2 3.62Å; I43-V270 HydrophobicContact CG1-CG2 4.36Å; I43-V270 HydrophobicContact CG2-CG2 4.43Å
271	E	52.8	Low	58.5	Low	172 Å²	172	106.6 Å²	106.6	80%	0.804	56%	0.561	S	S	*	*			trans	-67.3	135	173.3	-71.1	-177.2	173.2	0	0	106.6	R269 K273	R269-E271 VanDerWaalsContact C-N 3.31Å; R269-E271 PolarHBondContact O-N 2.61Å; E271-K273 PolarHBondContact O-N 2.6Å
272	K	44	Very low	55.9	Low	204 Å²	204	109.5 Å²	109.5	89%	0.887	59%	0.588	S	S	*	*			trans	-48.4	109.3	167.6	-107.5	177.7	172.1	178.1	0	106.8	S274	K272-S274 PolarHBondContact O-N 3.18Å
273	K	39.3	Very low	53.4	Low	203 Å²	203	113.3 Å²	113.3	88%	0.883	60%	0.603	S	S	*	*			trans	-60.1	99.6	158.7	-87.7	-173.2	174.8	-177.7	0	105.7	E271 D275	E271-K273 PolarHBondContact O-N 2.6Å; K273-D275 PolarHBondContact O-N 2.84Å
274	S	34	Very low	50.6	Low	96 Å²	96	115.7 Å²	115.7	67%	0.671	62%	0.621	S	S	*	*			trans	-65	123.6	159.3	47.4	0	0	0	0	106.9	K272 V276	K272-S274 PolarHBondContact O-N 3.18Å; S274-V276 PolarHBondContact O-N 3.4Å
275	D	32.3	Very low	47.9	Very low	168 Å²	168	123.5 Å²	123.5	90%	0.898	66%	0.659	S	S	*	*			trans	-54.7	96.2	166.1	-67.6	-52.1	0	0	0	109.6	K273	K273-D275 PolarHBondContact O-N 2.84Å
276	V	35.4	Very low	45.2	Very low	111 Å²	111	130.7 Å²	130.7	67%	0.673	69%	0.692	S	S	*	*			trans	-144.1	107.9	161.5	-175.3	0	0	0	0	107.7	S274 D278	S274-V276 PolarHBondContact O-N 3.4Å; V276-D278 PolarHBondContact O-N 3.21Å
277	N	31.8	Very low	42.4	Very low	154 Å²	154	133.6 Å²	133.6	82%	0.824	70%	0.702	S	S	*	*			trans	-46.5	117.4	154.7	-69.6	-41.5	0	0	0	108.3
278	D	34.3	Very low	39.7	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	74%	0.736	S	S	*	*			trans	-158	109.1	142	-92.2	-30.7	0	0	0	110.1	V276	V276-D278 PolarHBondContact O-N 3.21Å
279	L	30.2	Very low	36.8	Very low	153 Å²	153	145.5 Å²	145.5	80%	0.801	77%	0.769	S	S	*	*			trans	-55.2	151.5	160.4	-121.1	76.8	0	0	0	109.5
280	N	28.5	Very low	34.4	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	77%	0.772	S	S	*	*			trans	76.4	96.6	161.1	-57.4	-16.1	0	0	0	117.2
281	S	32.3	Very low	32.5	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	79%	0.788	S	S	*	*			trans	-167.5	103.6	131.7	178.4	0	0	0	0	109.5
282	S	29	Very low	31.5	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	79%	0.792	S	S	*	*			trans	-70	121.6	164.3	60.4	0	0	0	0	109
283	T	31.3	Very low	30.7	Very low	120 Å²	120	138.6 Å²	138.6	74%	0.736	78%	0.781	S	S	*	*			trans	-144.4	105.7	158.1	-32.4	0	0	0	0	111
284	T	25.5	Very low	30.1	Very low	127 Å²	127	136.8 Å²	136.8	78%	0.779	78%	0.78	S	S	*	*			trans	-31.8	130.1	156	-41.8	0	0	0	0	113.8
285	M	30.8	Very low	30.1	Very low	167 Å²	167	137.9 Å²	137.9	82%	0.823	79%	0.787	S	S	*	*			trans	-151.5	97.7	148.4	-74.5	-145.3	81.3	0	0	107.7
286	E	29.9	Very low	30.1	Very low	167 Å²	167	138.3 Å²	138.3	78%	0.78	78%	0.784	S	S	*	*				76.9	106.9	96	-120.8	-176	-174.1	0	0	113.6
287	H	28	Very low	29.6	Very low	170 Å²	170	138.9 Å²	138.9	79%	0.787	79%	0.787	S	S	*	*			trans	-59	126.5	170.3	-133.6	45.1	0	0	0	109.3
288	S	29.9	Very low	29.6	Very low	110 Å²	110	140.4 Å²	140.4	77%	0.769	79%	0.79	S	S	*	*			trans	-129.6	91.1	160.9	-151.5	0	0	0	0	108.4
289	E	27.8	Very low	29.3	Very low	156 Å²	156	139.2 Å²	139.2	73%	0.729	79%	0.788	S	S	*	*			trans	-60.3	126.4	159.9	-67.8	176.3	144.3	0	0	108
290	T	29.8	Very low	29.3	Very low	120 Å²	120	138 Å²	138	74%	0.736	79%	0.787	S	S	*	*			trans	-123.2	95.2	162.6	-59.1	0	0	0	0	108.7	L292	T290-L292 PolarHBondContact O-N 2.9Å
291	T	26.7	Very low	29.4	Very low	124 Å²	124	137.9 Å²	137.9	76%	0.761	78%	0.781	S	S	*	*			trans	-51.8	114.6	162.9	-55.7	0	0	0	0	110.7
292	L	30	Very low	29.4	Very low	169 Å²	169	140.9 Å²	140.9	89%	0.885	79%	0.789	S	S	*	*			trans	-93.2	96.6	162.8	-97.8	160.7	0	0	0	108.5	T290	T290-L292 PolarHBondContact O-N 2.9Å
293	G	28.8	Very low	29.5	Very low	65 Å²	65	142.6 Å²	142.6	67%	0.67	78%	0.784	S	S	*	*			trans	-67	130.3	173.4	0	0	0	0	0	111.6
294	I	27	Very low	29.4	Very low	165 Å²	165	143.9 Å²	143.9	85%	0.846	79%	0.785	S	S	*	*			trans	-67	133.4	169.5	-65.7	164.5	0	0	0	108.4
295	S	33.2	Very low	29.7	Very low	119 Å²	119	147.3 Å²	147.3	83%	0.832	79%	0.789	S	S	*	*			trans	-140.4	145.3	156.5	-93.9	0	0	0	0	112.2
296	E	31.6	Very low	29.7	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	79%	0.791	S	S	*	*			trans	-69.2	139.3	-157.5	-71.3	158.4	138.5	0	0	116
297	V	25.7	Very low	29.7	Very low	123 Å²	123	146 Å²	146	75%	0.745	79%	0.794	S	S	*	*				20.5	117	123.6	-174.7	0	0	0	0	117.1
298	Q	30.8	Very low	30	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	80%	0.795	S	S	*	*			trans	-141.2	116.7	132.9	-74.9	-148.1	-14.2	0	0	111
299	V	27.7	Very low	30.3	Very low	129 Å²	129	149.6 Å²	149.6	78%	0.782	80%	0.799	S	S	*	*			trans	-88.2	131	166.2	172	0	0	0	0	106.9
300	T	30.6	Very low	30.5	Very low	128 Å²	128	147.8 Å²	147.8	79%	0.785	80%	0.798	S	S	*	*			trans	-128.8	113.4	165.6	-27.3	0	0	0	0	109.1
301	E	30.9	Very low	31.2	Very low	147 Å²	147	150.1 Å²	150.1	69%	0.687	81%	0.806	S	S	*	*			trans	-85.6	130.6	-179.7	-173.9	174.1	-161.1	0	0	108.9	H303	E301-H303 IonicContact OE1-CD2 3.01Å
302	N	32.8	Very low	32.1	Very low	171 Å²	171	152.4 Å²	152.4	91%	0.914	81%	0.808	S	S	*	*			trans	-124	111.8	166.9	-96.2	-16	0	0	0	109
303	H	30.2	Very low	32.6	Very low	154 Å²	154	149.7 Å²	149.7	71%	0.713	80%	0.795	S	S	*	*			trans	-104.9	161.7	-177.1	-134.3	-80.9	0	0	0	108.8	E301	E301-H303 IonicContact OE1-CD2 3.01Å
304	I	31.1	Very low	33.5	Very low	147 Å²	147	153.6 Å²	153.6	75%	0.754	80%	0.799	S	S	*	*			trans	90.6	101.2	159.2	-40.4	-177.4	0	0	0	118.2
305	K	31.5	Very low	34.4	Very low	200 Å²	200	152.7 Å²	152.7	87%	0.87	80%	0.796	S	S	*	*				-174.1	109.8	109.9	-104.7	-176.9	177.4	-179.8	0	111.4
306	I	29.3	Very low	34.8	Very low	168 Å²	168	153.5 Å²	153.5	86%	0.862	79%	0.789	S	S	*	*			trans	-133	110.4	163.5	-62.3	176.2	0	0	0	107.4
307	T	31.3	Very low	35.4	Very low	137 Å²	137	149.2 Å²	149.2	84%	0.84	78%	0.775	S	S	*	*			trans	179.4	129.9	155.8	-9.6	0	0	0	0	103.5
308	E	34.6	Very low	36.4	Very low	176 Å²	176	148.5 Å²	148.5	82%	0.822	77%	0.771	S	S	*	*			cis	-155.5	131.8	39.5	-64.8	162.7	136.8	0	0	107.7
309	E	34.7	Very low	37.1	Very low	181 Å²	181	149.2 Å²	149.2	85%	0.846	77%	0.766	S	S	*	*			trans	-169	90.5	160.4	-115.5	178.3	-163.1	0	0	107.6
310	T	33.2	Very low	37.9	Very low	117 Å²	117	146.1 Å²	146.1	72%	0.718	75%	0.747	S	S	*	*			trans	-144.6	-5.7	177.6	-25.8	0	0	0	0	116
311	D	44.3	Very low	38.8	Very low	169 Å²	169	144.5 Å²	144.5	90%	0.904	74%	0.737	S	S	*	*	S	Bend	trans	-93	-5.3	-178.7	-79.2	-25.1	0	0	0	116.1
312	Q	44.6	Very low	39.7	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.804	74%	0.742	S	S	*	*	S	Bend	trans	-87.6	-12.6	178.3	-73.8	-173.4	-12.1	0	0	114.8	L314	Q312-L314 PolarHBondContact O-N 2.86Å
313	N	41.2	Very low	40.6	Very low	112 Å²	112	143.6 Å²	143.6	60%	0.599	73%	0.727	S	S	*	*	S	Bend	trans	-79.2	-17.9	-168.8	-86.3	-21.8	0	0	0	115.6	T317	N313-T317 PolarHBondContact O-OG1 2.95Å
314	L	47.6	Very low	41.6	Very low	147 Å²	147	141 Å²	141	77%	0.77	72%	0.719	S	S	*	*	S	Bend	trans	-79.4	-29.2	-173.3	-115.3	92.7	0	0	0	114.9	Q312	Q312-L314 PolarHBondContact O-N 2.86Å
315	N	46.1	Very low	42.8	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	72%	0.719	S	S	*	*	S	Bend	trans	-84.8	-12.1	-178	-82.1	-13.1	0	0	0	113.9
316	M	41.2	Very low	43.7	Very low	137 Å²	137	139.9 Å²	139.9	68%	0.675	71%	0.711	S	S	*	*	H	α-helix	trans	-82.4	-19	178	-159.1	166.5	-169.9	0	0	112.6	T320	M316-T320 PolarHBondContact O-OG1 2.74Å
317	T	43.7	Very low	45	Very low	87 Å²	87	138.2 Å²	138.2	53%	0.534	70%	0.699	S	S	.	*	H	α-helix	trans	-77.7	-30.1	-172.7	-39.3	0	0	0	0	113.6	N313 T320 T321	N313-T317 PolarHBondContact O-OG1 2.95Å; T317-T320 VanDerWaalsContact C-OG1 3.29Å; T317-T320 WeakPolarHBondContact CA-OG1 3.21Å; T317-T320 PolarHBondContact O-OG1 3Å; T317-T321 PolarHBondContact O-OG1 2.99Å
318	T	46.4	Very low	46.3	Very low	108 Å²	108	138.6 Å²	138.6	66%	0.663	69%	0.689	S	S	*	*	H	α-helix	trans	-74.8	-38.5	-179	6.5	0	0	0	0	112.3	T320 T321	T318-T320 VanDerWaalsContact C-N 3.33Å; T318-T320 PolarHBondContact O-N 2.87Å; T318-T321 PolarHBondContact O-N 3.49Å
319	R	45.8	Very low	47.7	Very low	201 Å²	201	133.8 Å²	133.8	76%	0.758	68%	0.675	S	S	*	*	H	α-helix	trans	-73.8	-25.9	-178.4	-158.5	172.4	168	149.7	-1.1	113	T321	R319-T321 VanDerWaalsContact C-N 3.29Å; R319-T321 PolarHBondContact O-N 2.77Å
320	T	45.5	Very low	49	Very low	64 Å²	64	130.3 Å²	130.3	39%	0.393	66%	0.658	S	S	.	*	H	α-helix	trans	-72	-18.6	177	31.7	0	0	0	0	113.5	M316 T317 T318 N324	M316-T320 PolarHBondContact O-OG1 2.74Å; T317-T320 VanDerWaalsContact C-OG1 3.29Å; T317-T320 WeakPolarHBondContact CA-OG1 3.21Å; T317-T320 PolarHBondContact O-OG1 3Å; T318-T320 VanDerWaalsContact C-N 3.33Å; T318-T320 PolarHBondContact O-N 2.87Å; T320-N324 WeakPolarHBondContact O-CB 3.12Å; T320-N324 PolarHBondContact O-N 2.5Å
321	T	48.3	Very low	50.6	Low	94 Å²	94	131.3 Å²	131.3	58%	0.577	65%	0.649	S	S	*	*	H	α-helix	trans	-77.3	-34	-174.7	-53.7	0	0	0	0	113.2	T317 T318 R319	T317-T321 PolarHBondContact O-OG1 2.99Å; T318-T321 PolarHBondContact O-N 3.49Å; R319-T321 VanDerWaalsContact C-N 3.29Å; R319-T321 PolarHBondContact O-N 2.77Å
322	E	51.2	Low	51.8	Low	168 Å²	168	130.2 Å²	130.2	79%	0.785	63%	0.633	S	S	*	*	H	α-helix	trans	-76	-41.6	177.4	-82.3	-174.1	148.7	0	0	112.7	N324 K325	E322-N324 PolarHBondContact O-N 3.13Å; E322-K325 PolarHBondContact O-N 3.43Å
323	E	51.6	Low	53.1	Low	131 Å²	131	126.9 Å²	126.9	61%	0.612	62%	0.621	S	S	*	*	H	α-helix	trans	-60.9	-32.4	175.6	-73.7	-178.2	164.6	0	0	111.9	K325 Q326 H327	E323-K325 VanDerWaalsContact C-N 3.32Å; E323-K325 PolarHBondContact O-N 2.9Å; E323-Q326 PolarHBondContact O-N 2.9Å; E323-H327 WeakPolarHBondContact O-CB 3.12Å; E323-H327 PolarHBondContact O-N 3.31Å; E323-H327 VanDerWaalsContact O-N 3.07Å
324	N	51.2	Low	54.8	Low	98 Å²	98	129.2 Å²	129.2	52%	0.524	62%	0.622	S	S	.	*	H	α-helix	trans	-67.1	-29.2	-179.9	-139.7	-22.1	0	0	0	113.3	T320 E322 K328	T320-N324 WeakPolarHBondContact O-CB 3.12Å; T320-N324 PolarHBondContact O-N 2.5Å; E322-N324 PolarHBondContact O-N 3.13Å; N324-K328 WeakPolarHBondContact O-CB 3.49Å; N324-K328 PolarHBondContact O-N 2.9Å; N324-K328 VanDerWaalsContact O-N 3.09Å
325	K	54.6	Low	56	Low	174 Å²	174	125 Å²	125	76%	0.757	60%	0.603	S	S	*	*	H	α-helix	trans	-70.6	-43.9	176.9	-97.6	-176.8	177.9	176.6	0	111.8	E322 E323 K328 S329	E322-K325 PolarHBondContact O-N 3.43Å; E323-K325 VanDerWaalsContact C-N 3.32Å; E323-K325 PolarHBondContact O-N 2.9Å; K325-K328 PolarHBondContact O-N 3.21Å; K325-S329 PolarHBondContact O-N 2.79Å
326	Q	52.2	Low	57.5	Low	151 Å²	151	119.6 Å²	119.6	71%	0.706	57%	0.574	S	S	*	*	H	α-helix	trans	-69.5	-37.6	179.5	-163.6	171.8	-6.9	0	0	111.2	E323 K328 S329 H330	E323-Q326 PolarHBondContact O-N 2.9Å; Q326-K328 PolarHBondContact O-N 3.09Å; Q326-S329 PolarHBondContact O-N 3.33Å; Q326-H330 PolarHBondContact O-N 3.08Å
327	H	56.2	Low	59.4	Low	133 Å²	133	117.4 Å²	117.4	62%	0.616	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-35	175.6	-160.5	-67.9	0	0	0	112.7	E323 S329 W331	E323-H327 WeakPolarHBondContact O-CB 3.12Å; E323-H327 PolarHBondContact O-N 3.31Å; E323-H327 VanDerWaalsContact O-N 3.07Å; H327-S329 PolarHBondContact O-N 2.84Å; H327-W331 WeakPolarHBondContact O-CB 3.09Å; H327-W331 PolarHBondContact O-N 3.48Å
328	K	57.2	Low	61.3	Low	144 Å²	144	116.1 Å²	116.1	63%	0.626	56%	0.558	S	S	*	*	H	α-helix	trans	-62.8	-39.7	176.2	-101.2	-179.6	176.8	176.6	0	113.4	N324 K325 Q326 W331 Y332	N324-K328 WeakPolarHBondContact O-CB 3.49Å; N324-K328 PolarHBondContact O-N 2.9Å; N324-K328 VanDerWaalsContact O-N 3.09Å; K325-K328 PolarHBondContact O-N 3.21Å; Q326-K328 PolarHBondContact O-N 3.09Å; K328-W331 PolarHBondContact O-N 3.37Å; K328-Y332 PolarHBondContact O-N 2.99Å; K328-Y332 VanDerWaalsContact O-N 3.09Å
329	S	64.5	Low	63	Low	75 Å²	75	114.5 Å²	114.5	52%	0.524	55%	0.545	S	S	.	.	H	α-helix	trans	-67.5	-43	-179.1	-170.7	0	0	0	0	111.9	K325 Q326 H327 Y332 L333	K325-S329 PolarHBondContact O-N 2.79Å; Q326-S329 PolarHBondContact O-N 3.33Å; H327-S329 PolarHBondContact O-N 2.84Å; S329-Y332 PolarHBondContact O-N 3.39Å; S329-L333 PolarHBondContact O-N 3.08Å
330	H	61.6	Low	64.8	Low	108 Å²	108	108.1 Å²	108.1	50%	0.5	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-39.4	175.3	-88.9	-110.6	0	0	0	111.5	Q326 Y332 L333 Y334	Q326-H330 PolarHBondContact O-N 3.08Å; H330-Y332 VanDerWaalsContact C-N 3.33Å; H330-Y332 PolarHBondContact O-N 3.34Å; H330-L333 PolarHBondContact O-N 3.24Å; H330-Y334 HydrophobicContact CB-CD2 4.39Å; H330-Y334 AromaticContact ND1-CE2 3.56Å; H330-Y334 VanDerWaalsContact O-CD2 3.27Å; H330-Y334 WeakPolarHBondContact O-CD2 3.37Å; H330-Y334 PolarHBondContact O-N 3.03Å
331	W	67.3	Low	66.7	Low	138 Å²	138	107.6 Å²	107.6	52%	0.523	53%	0.53	S	S	.	.	H	α-helix	trans	-60.3	-41.2	177.2	-176.5	77.8	0	0	0	112.4	H327 K328 V335 V336	H327-W331 WeakPolarHBondContact O-CB 3.09Å; H327-W331 PolarHBondContact O-N 3.48Å; K328-W331 PolarHBondContact O-N 3.37Å; W331-V335 HydrophobicContact CG-CB 4.45Å; W331-V335 HydrophobicContact CG-CG2 4.26Å; W331-V335 WeakPolarHBondContact O-CA 3.05Å; W331-V335 WeakPolarHBondContact O-CB 3.35Å; W331-V335 WeakPolarHBondContact O-CG2 3.48Å; W331-V335 PolarHBondContact O-N 3.12Å; W331-V336 HydrophobicContact CE3-CG2 4.12Å; W331-V336 HydrophobicContact CH2-CG2 4.09Å; W331-V336 HydrophobicContact CZ3-CG2 3.82Å
332	Y	69.4	Low	68.4	Low	146 Å²	146	104.5 Å²	104.5	57%	0.573	51%	0.512	S	S	*	.	I	π-helix	trans	-64.7	-44.7	178.9	-154.7	-91.5	0	0	0	112.6	K328 S329 H330 V336 I337	K328-Y332 PolarHBondContact O-N 2.99Å; K328-Y332 VanDerWaalsContact O-N 3.09Å; S329-Y332 PolarHBondContact O-N 3.39Å; H330-Y332 VanDerWaalsContact C-N 3.33Å; H330-Y332 PolarHBondContact O-N 3.34Å; Y332-V336 HydrophobicContact CD1-CB 4.42Å; Y332-V336 HydrophobicContact CD2-CB 4.11Å; Y332-V336 HydrophobicContact CD2-CG1 4.36Å; Y332-V336 HydrophobicContact CD2-CG2 3.76Å; Y332-V336 HydrophobicContact CE1-CG1 4.35Å; Y332-V336 HydrophobicContact CE2-CB 4.23Å; Y332-V336 HydrophobicContact CE2-CG1 3.97Å; Y332-V336 HydrophobicContact CE2-CG2 4.1Å; Y332-V336 HydrophobicContact CG-CB 4.21Å; Y332-V336 HydrophobicContact CG-CG2 4.19Å; Y332-V336 WeakPolarHBondContact O-CB 3.09Å; Y332-V336 PolarHBondContact O-N 3.19Å; Y332-V336 VanDerWaalsContact O-N 3.14Å; Y332-I337 PolarHBondContact O-N 3.38Å
333	L	73.4	Confident	70	Confident	103 Å²	103	100.3 Å²	100.3	54%	0.539	50%	0.495	S	S	.	.	I	π-helix	trans	-72.3	-37.8	-174.5	-131.3	149.8	0	0	0	112.6	S329 H330 I337	S329-L333 PolarHBondContact O-N 3.08Å; H330-L333 PolarHBondContact O-N 3.24Å; L333-I337 HydrophobicContact CD2-CD1 4.41Å; L333-I337 HydrophobicContact CG-CD1 4.23Å
334	Y	75.4	Confident	71.7	Confident	160 Å²	160	100.8 Å²	100.8	63%	0.627	50%	0.495	S	S	*	.	I	π-helix	trans	-97.4	-18.9	-176.5	-67.2	-75.5	0	0	0	114.5	H330 P338	H330-Y334 HydrophobicContact CB-CD2 4.39Å; H330-Y334 AromaticContact ND1-CE2 3.56Å; H330-Y334 VanDerWaalsContact O-CD2 3.27Å; H330-Y334 WeakPolarHBondContact O-CD2 3.37Å; H330-Y334 PolarHBondContact O-N 3.03Å; Y334-P338 WeakPolarHBondContact O-CG 3.18Å
335	V	74	Confident	73.4	Confident	60 Å²	60	102 Å²	102	36%	0.364	50%	0.501	S	S	.	.	I	π-helix	trans	-110.6	-52.6	-179.3	-172.3	0	0	0	0	111.5	W331 P338 L339	W331-V335 HydrophobicContact CG-CB 4.45Å; W331-V335 HydrophobicContact CG-CG2 4.26Å; W331-V335 WeakPolarHBondContact O-CA 3.05Å; W331-V335 WeakPolarHBondContact O-CB 3.35Å; W331-V335 WeakPolarHBondContact O-CG2 3.48Å; W331-V335 PolarHBondContact O-N 3.12Å; V335-P338 WeakPolarHBondContact O-CD 3.28Å; V335-L339 WeakPolarHBondContact O-CB 3.35Å; V335-L339 PolarHBondContact O-N 2.77Å
336	V	76.7	Confident	74.9	Confident	31 Å²	31	95.7 Å²	95.7	19%	0.188	48%	0.475	C	S	.	.	I	π-helix	trans	-70.2	-45.6	-171.6	-179.2	0	0	0	0	111.8	W331 Y332 L339 V340	W331-V336 HydrophobicContact CE3-CG2 4.12Å; W331-V336 HydrophobicContact CH2-CG2 4.09Å; W331-V336 HydrophobicContact CZ3-CG2 3.82Å; Y332-V336 HydrophobicContact CD1-CB 4.42Å; Y332-V336 HydrophobicContact CD2-CB 4.11Å; Y332-V336 HydrophobicContact CD2-CG1 4.36Å; Y332-V336 HydrophobicContact CD2-CG2 3.76Å; Y332-V336 HydrophobicContact CE1-CG1 4.35Å; Y332-V336 HydrophobicContact CE2-CB 4.23Å; Y332-V336 HydrophobicContact CE2-CG1 3.97Å; Y332-V336 HydrophobicContact CE2-CG2 4.1Å; Y332-V336 HydrophobicContact CG-CB 4.21Å; Y332-V336 HydrophobicContact CG-CG2 4.19Å; Y332-V336 WeakPolarHBondContact O-CB 3.09Å; Y332-V336 PolarHBondContact O-N 3.19Å; Y332-V336 VanDerWaalsContact O-N 3.14Å; V336-L339 WeakPolarHBondContact O-CB 3.24Å; V336-L339 PolarHBondContact O-N 3Å; V336-V340 HydrophobicContact CG1-CG2 4.28Å; V336-V340 WeakPolarHBondContact O-CG2 3.27Å; V336-V340 PolarHBondContact O-N 3.31Å
337	I	80.7	Confident	76.5	Confident	92 Å²	92	92 Å²	92	47%	0.472	47%	0.465	S	S	.	.	H	α-helix	trans	-61.4	-49.2	-178	-61.7	173.9	0	0	0	112.1	Y332 L333 L339 V340 A341	Y332-I337 PolarHBondContact O-N 3.38Å; L333-I337 HydrophobicContact CD2-CD1 4.41Å; L333-I337 HydrophobicContact CG-CD1 4.23Å; I337-L339 VanDerWaalsContact C-N 3.26Å; I337-L339 PolarHBondContact O-N 2.82Å; I337-V340 PolarHBondContact O-N 3.02Å; I337-A341 WeakPolarHBondContact O-CB 2.99Å; I337-A341 PolarHBondContact O-N 3.28Å
338	P	83.4	Confident	78.1	Confident	60 Å²	60	90 Å²	90	39%	0.39	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-32	175.9	-25.8	36.9	0	0	0	113.8	Y334 V335 A341 S342	Y334-P338 WeakPolarHBondContact O-CG 3.18Å; V335-P338 WeakPolarHBondContact O-CD 3.28Å; P338-A341 PolarHBondContact O-N 2.94Å; P338-S342 WeakPolarHBondContact O-CB 3.45Å; P338-S342 PolarHBondContact O-N 3.38Å
339	L	82	Confident	79.5	Confident	73 Å²	73	84.9 Å²	84.9	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-70.1	-41.7	179.1	-140.2	157.9	0	0	0	111.2	V335 V336 I337 S342 L343	V335-L339 WeakPolarHBondContact O-CB 3.35Å; V335-L339 PolarHBondContact O-N 2.77Å; V336-L339 WeakPolarHBondContact O-CB 3.24Å; V336-L339 PolarHBondContact O-N 3Å; I337-L339 VanDerWaalsContact C-N 3.26Å; I337-L339 PolarHBondContact O-N 2.82Å; L339-S342 PolarHBondContact O-N 3.33Å; L339-S342 PolarHBondContact O-OG 3.01Å; L339-S342 VanDerWaalsContact O-OG 3.07Å; L339-L343 HydrophobicContact CD2-CD1 4.2Å; L339-L343 WeakPolarHBondContact O-CG 3.34Å; L339-L343 PolarHBondContact O-N 2.76Å; L339-L343 VanDerWaalsContact O-N 3.09Å
340	V	85.2	Confident	80.5	Confident	68 Å²	68	84.7 Å²	84.7	41%	0.412	44%	0.444	S	S	.	.	H	α-helix	trans	-65.1	-44.5	173.4	175.6	0	0	0	0	110.6	V336 I337 S342 L343 F344	V336-V340 HydrophobicContact CG1-CG2 4.28Å; V336-V340 WeakPolarHBondContact O-CG2 3.27Å; V336-V340 PolarHBondContact O-N 3.31Å; I337-V340 PolarHBondContact O-N 3.02Å; V340-S342 VanDerWaalsContact C-N 3.32Å; V340-S342 PolarHBondContact O-N 2.03Å; V340-L343 PolarHBondContact O-N 2.9Å; V340-F344 HydrophobicContact CG1-CD2 3.94Å; V340-F344 HydrophobicContact CG1-CE2 3.7Å; V340-F344 VanDerWaalsContact O-CD2 3.26Å; V340-F344 WeakPolarHBondContact O-CD2 3.37Å; V340-F344 PolarHBondContact O-N 3.39Å; V340-F344 VanDerWaalsContact O-N 3.15Å
341	A	84.4	Confident	81.7	Confident	52 Å²	52	85.1 Å²	85.1	43%	0.43	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-38	176.9	0	0	0	0	0	112.5	I337 P338 F344 L345	I337-A341 WeakPolarHBondContact O-CB 2.99Å; I337-A341 PolarHBondContact O-N 3.28Å; P338-A341 PolarHBondContact O-N 2.94Å; A341-F344 PolarHBondContact O-N 2.78Å; A341-L345 PolarHBondContact O-N 2.03Å
342	S	84.1	Confident	82.6	Confident	29 Å²	29	83 Å²	83	20%	0.203	45%	0.446	C	S	.	.	H	α-helix	trans	-65.4	-43.5	176.4	88.6	0	0	0	0	111.2	P338 L339 V340 F344 L345 I346	P338-S342 WeakPolarHBondContact O-CB 3.45Å; P338-S342 PolarHBondContact O-N 3.38Å; L339-S342 PolarHBondContact O-N 3.33Å; L339-S342 PolarHBondContact O-OG 3.01Å; L339-S342 VanDerWaalsContact O-OG 3.07Å; V340-S342 VanDerWaalsContact C-N 3.32Å; V340-S342 PolarHBondContact O-N 2.03Å; S342-F344 VanDerWaalsContact C-N 3.31Å; S342-F344 PolarHBondContact O-N 3.36Å; S342-L345 PolarHBondContact O-N 3.28Å; S342-L345 VanDerWaalsContact O-N 3.1Å; S342-I346 VanDerWaalsContact O-CD1 3.22Å; S342-I346 WeakPolarHBondContact O-CD1 2.94Å; S342-I346 VanDerWaalsContact O-CG1 3.3Å; S342-I346 WeakPolarHBondContact O-CG1 3.39Å; S342-I346 PolarHBondContact O-N 3.43Å
343	L	85.7	Confident	83.2	Confident	80 Å²	80	84.2 Å²	84.2	42%	0.419	45%	0.45	S	S	.	.	H	α-helix	trans	-56.7	-42.8	176.5	-75	167.6	0	0	0	112	F16 L339 V340 I346 C347	F16-L343 HydrophobicContact CZ-CD2 4.08Å; L339-L343 HydrophobicContact CD2-CD1 4.2Å; L339-L343 WeakPolarHBondContact O-CG 3.34Å; L339-L343 PolarHBondContact O-N 2.76Å; L339-L343 VanDerWaalsContact O-N 3.09Å; V340-L343 PolarHBondContact O-N 2.9Å; L343-I346 PolarHBondContact O-N 3.06Å; L343-C347 PolarHBondContact O-N 3.35Å; L343-C347 PolarHBondContact O-SG 3.3Å; L343-C347 VanDerWaalsContact O-SG 3.34Å
344	F	85.9	Confident	83.7	Confident	141 Å²	141	88.2 Å²	88.2	62%	0.618	46%	0.458	S	S	*	.	H	α-helix	trans	-62.6	-43.3	175.3	-83.5	-73.6	0	0	0	112.8	V340 A341 S342 I346 C347 I348	V340-F344 HydrophobicContact CG1-CD2 3.94Å; V340-F344 HydrophobicContact CG1-CE2 3.7Å; V340-F344 VanDerWaalsContact O-CD2 3.26Å; V340-F344 WeakPolarHBondContact O-CD2 3.37Å; V340-F344 PolarHBondContact O-N 3.39Å; V340-F344 VanDerWaalsContact O-N 3.15Å; A341-F344 PolarHBondContact O-N 2.78Å; S342-F344 VanDerWaalsContact C-N 3.31Å; S342-F344 PolarHBondContact O-N 3.36Å; F344-I346 VanDerWaalsContact C-N 3.31Å; F344-I346 PolarHBondContact O-N 3.35Å; F344-C347 PolarHBondContact O-N 3.07Å; F344-I348 VanDerWaalsContact O-CG1 3.31Å; F344-I348 WeakPolarHBondContact O-CG1 3.15Å; F344-I348 PolarHBondContact O-N 3.39Å
345	L	88	Confident	84.1	Confident	125 Å²	125	87.3 Å²	87.3	65%	0.654	45%	0.454	S	S	*	.	H	α-helix	trans	-64.2	-36.8	177.3	-70	173.6	0	0	0	112.2	A341 S342 I348 G349	A341-L345 PolarHBondContact O-N 2.03Å; S342-L345 PolarHBondContact O-N 3.28Å; S342-L345 VanDerWaalsContact O-N 3.1Å; L345-I348 PolarHBondContact O-N 2.99Å; L345-G349 PolarHBondContact O-N 2.87Å
346	I	85.7	Confident	84.5	Confident	40 Å²	40	88.6 Å²	88.6	21%	0.205	46%	0.458	C	S	.	.	H	α-helix	trans	-66.8	-44.6	175.7	-66.8	150.2	0	0	0	110.7	F16 S342 L343 F344 I348 G349 C350	F16-I346 HydrophobicContact CB-CD1 4.1Å; F16-I346 HydrophobicContact CB-CG1 4.39Å; F16-I346 HydrophobicContact CD1-CD1 3.2Å; F16-I346 HydrophobicContact CD1-CG1 3.94Å; F16-I346 HydrophobicContact CD1-CG2 4.18Å; F16-I346 HydrophobicContact CD2-CD1 3.51Å; F16-I346 HydrophobicContact CE1-CD1 3.29Å; F16-I346 HydrophobicContact CE1-CG1 4.35Å; F16-I346 HydrophobicContact CE1-CG2 4.43Å; F16-I346 HydrophobicContact CE2-CD1 3.57Å; F16-I346 HydrophobicContact CG-CD1 3.31Å; F16-I346 HydrophobicContact CG-CG1 4.08Å; F16-I346 HydrophobicContact CZ-CD1 3.45Å; F16-I346 VanDerWaalsContact CZ-CD1 3.45Å; S342-I346 VanDerWaalsContact O-CD1 3.22Å; S342-I346 WeakPolarHBondContact O-CD1 2.94Å; S342-I346 VanDerWaalsContact O-CG1 3.3Å; S342-I346 WeakPolarHBondContact O-CG1 3.39Å; S342-I346 PolarHBondContact O-N 3.43Å; L343-I346 PolarHBondContact O-N 3.06Å; F344-I346 VanDerWaalsContact C-N 3.31Å; F344-I346 PolarHBondContact O-N 3.35Å; I346-I348 VanDerWaalsContact C-N 3.32Å; I346-I348 PolarHBondContact O-N 3.42Å; I346-G349 PolarHBondContact O-N 3.16Å; I346-C350 WeakPolarHBondContact O-CB 3.17Å; I346-C350 PolarHBondContact O-N 3.06Å; I346-C350 PolarHBondContact O-SG 3.23Å; I346-C350 VanDerWaalsContact O-SG 3.34Å
347	C	85.6	Confident	84.6	Confident	74 Å²	74	91 Å²	91	50%	0.5	47%	0.469	S	S	.	.	H	α-helix	trans	-58.8	-44.3	175.6	-72.2	0	0	0	0	111.6	L343 F344 C350 I351	L343-C347 PolarHBondContact O-N 3.35Å; L343-C347 PolarHBondContact O-SG 3.3Å; L343-C347 VanDerWaalsContact O-SG 3.34Å; F344-C347 PolarHBondContact O-N 3.07Å; C347-C350 PolarHBondContact O-N 2.9Å; C347-I351 WeakPolarHBondContact O-CD1 3.43Å; C347-I351 VanDerWaalsContact O-CG1 3.24Å; C347-I351 WeakPolarHBondContact O-CG1 3.47Å; C347-I351 PolarHBondContact O-N 3.36Å
348	I	89.3	Confident	84.4	Confident	91 Å²	91	95.4 Å²	95.4	47%	0.467	48%	0.48	S	S	.	.	H	α-helix	trans	-62.2	-45.4	175.9	-66	165.2	0	0	0	110.5	F344 L345 I346 C350 I351 I352	F344-I348 VanDerWaalsContact O-CG1 3.31Å; F344-I348 WeakPolarHBondContact O-CG1 3.15Å; F344-I348 PolarHBondContact O-N 3.39Å; L345-I348 PolarHBondContact O-N 2.99Å; I346-I348 VanDerWaalsContact C-N 3.32Å; I346-I348 PolarHBondContact O-N 3.42Å; I348-C350 PolarHBondContact O-N 2.02Å; I348-I351 PolarHBondContact O-N 2.99Å; I348-I352 HydrophobicContact CG2-CD1 3.79Å; I348-I352 HydrophobicContact CG2-CG1 4.46Å; I348-I352 WeakPolarHBondContact O-CG1 3.42Å; I348-I352 PolarHBondContact O-N 3.39Å
349	G	87.3	Confident	84	Confident	36 Å²	36	99.5 Å²	99.5	37%	0.371	49%	0.488	S	S	.	.	H	α-helix	trans	-59.4	-43.9	176.2	0	0	0	0	0	113.1	L345 I346 I351 I352 W353	L345-G349 PolarHBondContact O-N 2.87Å; I346-G349 PolarHBondContact O-N 3.16Å; G349-I351 VanDerWaalsContact C-N 3.35Å; G349-I351 PolarHBondContact O-N 3.32Å; G349-I352 PolarHBondContact O-N 3.39Å; G349-W353 VanDerWaalsContact O-CB 3.31Å; G349-W353 WeakPolarHBondContact O-CB 3.37Å; G349-W353 PolarHBondContact O-N 3.37Å
350	C	85.7	Confident	83.5	Confident	71 Å²	71	103.5 Å²	103.5	48%	0.48	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-37.6	176.2	-71.3	0	0	0	0	112.6	I346 C347 I348 R354	I346-C350 WeakPolarHBondContact O-CB 3.17Å; I346-C350 PolarHBondContact O-N 3.06Å; I346-C350 PolarHBondContact O-SG 3.23Å; I346-C350 VanDerWaalsContact O-SG 3.34Å; C347-C350 PolarHBondContact O-N 2.9Å; I348-C350 PolarHBondContact O-N 2.02Å; C350-R354 WeakPolarHBondContact O-CB 3.46Å; C350-R354 WeakPolarHBondContact O-CG 3.21Å; C350-R354 PolarHBondContact O-N 3.38Å
351	I	86.4	Confident	82.7	Confident	118 Å²	118	106.7 Å²	106.7	61%	0.605	51%	0.512	S	S	*	.	H	α-helix	trans	-66.3	-46.9	176.4	-68.8	164.9	0	0	0	110.2	C347 I348 G349 W353 R354 W355	C347-I351 WeakPolarHBondContact O-CD1 3.43Å; C347-I351 VanDerWaalsContact O-CG1 3.24Å; C347-I351 WeakPolarHBondContact O-CG1 3.47Å; C347-I351 PolarHBondContact O-N 3.36Å; I348-I351 PolarHBondContact O-N 2.99Å; G349-I351 VanDerWaalsContact C-N 3.35Å; G349-I351 PolarHBondContact O-N 3.32Å; I351-W353 PolarHBondContact O-N 3.48Å; I351-R354 PolarHBondContact O-N 2.67Å; I351-W355 WeakPolarHBondContact O-CB 3.49Å; I351-W355 PolarHBondContact O-N 2.86Å
352	I	86.8	Confident	81.9	Confident	93 Å²	93	109.5 Å²	109.5	48%	0.477	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-42.7	177.5	-65	168.2	0	0	0	110.7	I348 G349 W355 L356	I348-I352 HydrophobicContact CG2-CD1 3.79Å; I348-I352 HydrophobicContact CG2-CG1 4.46Å; I348-I352 WeakPolarHBondContact O-CG1 3.42Å; I348-I352 PolarHBondContact O-N 3.39Å; G349-I352 PolarHBondContact O-N 3.39Å; I352-W355 WeakPolarHBondContact O-CB 3.2Å; I352-W355 PolarHBondContact O-N 2.88Å; I352-L356 HydrophobicContact CG2-CD1 4.14Å; I352-L356 WeakPolarHBondContact O-CG 3.37Å; I352-L356 PolarHBondContact O-N 3.34Å
353	W	82.6	Confident	80.9	Confident	171 Å²	171	114.9 Å²	114.9	65%	0.648	55%	0.548	S	S	*	.	H	α-helix	trans	-61.8	-46.6	177.4	-179.3	-94.6	0	0	0	112.4	G349 I351 W355 L356 L357	G349-W353 VanDerWaalsContact O-CB 3.31Å; G349-W353 WeakPolarHBondContact O-CB 3.37Å; G349-W353 PolarHBondContact O-N 3.37Å; I351-W353 PolarHBondContact O-N 3.48Å; W353-W355 VanDerWaalsContact C-N 3.25Å; W353-W355 PolarHBondContact O-N 3.32Å; W353-L356 PolarHBondContact O-N 3.01Å; W353-L357 PolarHBondContact O-N 3.18Å
354	R	83.8	Confident	79.7	Confident	187 Å²	187	118 Å²	118	71%	0.706	57%	0.565	S	S	*	*	H	α-helix	trans	-59.6	-37.7	174.2	-83.2	-175.9	170.8	-177.5	-1.6	112.1	C350 I351 R358	C350-R354 WeakPolarHBondContact O-CB 3.46Å; C350-R354 WeakPolarHBondContact O-CG 3.21Å; C350-R354 PolarHBondContact O-N 3.38Å; I351-R354 PolarHBondContact O-N 2.67Å; R354-R358 PolarHBondContact O-N 3.3Å
355	W	82.4	Confident	78.3	Confident	142 Å²	142	118.3 Å²	118.3	54%	0.538	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-40.3	177.1	-170.5	78.6	0	0	0	112.2	I351 I352 W353 R359	I351-W355 WeakPolarHBondContact O-CB 3.49Å; I351-W355 PolarHBondContact O-N 2.86Å; I352-W355 WeakPolarHBondContact O-CB 3.2Å; I352-W355 PolarHBondContact O-N 2.88Å; W353-W355 VanDerWaalsContact C-N 3.25Å; W353-W355 PolarHBondContact O-N 3.32Å; W355-R359 PolarHBondContact O-N 3.02Å
356	L	83.2	Confident	76.4	Confident	87 Å²	87	123.7 Å²	123.7	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-69.5	-38.5	176.1	-72	172.9	0	0	0	113.2	I352 W353 R359 K360	I352-L356 HydrophobicContact CG2-CD1 4.14Å; I352-L356 WeakPolarHBondContact O-CG 3.37Å; I352-L356 PolarHBondContact O-N 3.34Å; W353-L356 PolarHBondContact O-N 3.01Å; L356-R359 WeakPolarHBondContact O-CB 3.47Å; L356-R359 PolarHBondContact O-N 3.46Å; L356-R359 VanDerWaalsContact O-N 3.17Å; L356-K360 PolarHBondContact O-N 3.16Å; L356-K360 VanDerWaalsContact O-N 3.12Å
357	L	77.8	Confident	75.9	Confident	81 Å²	81	127.9 Å²	127.9	42%	0.424	61%	0.613	S	S	.	*	H	α-helix	trans	-60	-47.7	174.8	-95.1	165.3	0	0	0	111.6	W353 R359 K360 E361	W353-L357 PolarHBondContact O-N 3.18Å; L357-R359 PolarHBondContact O-N 2.9Å; L357-K360 PolarHBondContact O-N 3.35Å; L357-K360 VanDerWaalsContact O-N 3.09Å; L357-E361 PolarHBondContact O-N 3.39Å
358	R	77.7	Confident	75.4	Confident	184 Å²	184	130.7 Å²	130.7	69%	0.694	62%	0.619	S	S	*	*	H	α-helix	trans	-59.6	-33.7	174.8	-75.3	-172.2	-167.8	-165	2.1	112.5	R354 V362	R354-R358 PolarHBondContact O-N 3.3Å; R358-V362 WeakPolarHBondContact O-CG2 3.24Å; R358-V362 PolarHBondContact O-N 3.16Å
359	R	74.7	Confident	74.6	Confident	147 Å²	147	132.9 Å²	132.9	56%	0.555	63%	0.628	S	S	*	*	H	α-helix	trans	-69.3	-32.5	177	-115.9	-176.8	-176	-172.5	1.8	113	W355 L356 L357 M363	W355-R359 PolarHBondContact O-N 3.02Å; L356-R359 WeakPolarHBondContact O-CB 3.47Å; L356-R359 PolarHBondContact O-N 3.46Å; L356-R359 VanDerWaalsContact O-N 3.17Å; L357-R359 PolarHBondContact O-N 2.9Å; R359-M363 PolarHBondContact O-N 3.35Å
360	K	71	Confident	73.9	Confident	157 Å²	157	138.6 Å²	138.6	68%	0.683	64%	0.643	S	S	*	*	H	α-helix	trans	-70.5	-38.2	175.6	-96.3	-171.3	173.1	-172.8	0	112.4	L356 L357 V362 M363 N364	L356-K360 PolarHBondContact O-N 3.16Å; L356-K360 VanDerWaalsContact O-N 3.12Å; L357-K360 PolarHBondContact O-N 3.35Å; L357-K360 VanDerWaalsContact O-N 3.09Å; K360-V362 VanDerWaalsContact C-N 3.3Å; K360-V362 PolarHBondContact O-N 3.17Å; K360-M363 PolarHBondContact O-N 2.83Å; K360-N364 PolarHBondContact O-N 2.9Å
361	E	68.6	Low	73.1	Confident	135 Å²	135	142.8 Å²	142.8	63%	0.631	65%	0.653	S	S	*	*	H	α-helix	trans	-60.6	-40.9	174.7	-72	171.9	172.6	0	0	111.2	L357 M363 N364	L357-E361 PolarHBondContact O-N 3.39Å; E361-M363 VanDerWaalsContact C-N 3.27Å; E361-M363 PolarHBondContact O-N 3.46Å; E361-N364 PolarHBondContact O-N 3.22Å
362	V	68.2	Low	72.2	Confident	110 Å²	110	144.5 Å²	144.5	67%	0.667	66%	0.656	S	S	*	*	H	α-helix	trans	-69.9	-20.2	178.7	178.8	0	0	0	0	113.3	R358 K360	R358-V362 WeakPolarHBondContact O-CG2 3.24Å; R358-V362 PolarHBondContact O-N 3.16Å; K360-V362 VanDerWaalsContact C-N 3.3Å; K360-V362 PolarHBondContact O-N 3.17Å
363	M	62.3	Low	71.2	Confident	143 Å²	143	148.1 Å²	148.1	70%	0.704	67%	0.669	S	S	*	*	H	α-helix	trans	-91.1	-14.2	179.9	-75.1	-174.3	64.2	0	0	114.5	R359 K360 E361	R359-M363 PolarHBondContact O-N 3.35Å; K360-M363 PolarHBondContact O-N 2.83Å; E361-M363 VanDerWaalsContact C-N 3.27Å; E361-M363 PolarHBondContact O-N 3.46Å
364	N	60.3	Low	70.3	Confident	145 Å²	145	146.4 Å²	146.4	78%	0.775	67%	0.671	S	S	*	*	S	Bend	trans	-92.7	-3	176.6	-86.5	0.6	0	0	0	113.5	K360 E361	K360-N364 PolarHBondContact O-N 2.9Å; E361-N364 PolarHBondContact O-N 3.22Å
365	D	57.2	Low	69.2	Low	147 Å²	147	143 Å²	143	79%	0.786	67%	0.668	S	S	*	*			trans	-99	20.5	174.6	-93.1	-18.8	0	0	0	113.1
366	H	47.1	Very low	68	Low	238 Å²	238	143.1 Å²	143.1	100%	1.102	68%	0.68	S	S	*	*			trans	-129.5	0	166.3	-86.8	13.8	0	0	0	109.3

Retrieved 366 of 366 residues in 341.8 ms (Link to these results)

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