A0A5K4FC17_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 246 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.8	Very low	63.2	Low	232 Å²	232	167.3 Å²	167.3	100%	1.143	84%	0.835	S	S	*	*				0	62.8	0	-157.7	-174.9	-74.9	0	0	107.7
2	Y	51.7	Low	65.6	Low	230 Å²	230	164.5 Å²	164.5	90%	0.902	82%	0.817	S	S	*	*			trans	-147.4	65.7	-173.6	-71.3	-70.8	0	0	0	108.8
3	E	46.3	Very low	67.7	Low	183 Å²	183	156 Å²	156	86%	0.855	78%	0.776	S	S	*	*			trans	-142	70.5	177.9	-75.9	-178.5	160.9	0	0	108.2
4	Y	55.8	Low	69.6	Low	203 Å²	203	149.4 Å²	149.4	80%	0.796	75%	0.753	S	S	*	*			trans	-162.2	67.6	161.8	-96.4	-77.3	0	0	0	107
5	M	57.1	Low	71.3	Confident	189 Å²	189	145.9 Å²	145.9	93%	0.931	74%	0.737	S	S	*	*			trans	-101.6	75.6	154.8	-73.1	-174.5	67.7	0	0	105.4	E7	M5-E7 PolarHBondContact O-N 3.32Å
6	D	58.6	Low	72.8	Confident	121 Å²	121	139.6 Å²	139.6	65%	0.647	71%	0.706	S	S	*	*			trans	-49.1	130.8	169.4	-76.8	-36.1	0	0	0	108.4	L8	D6-L8 PolarHBondContact O-N 3.07Å
7	E	65.8	Low	74.1	Confident	190 Å²	190	134.3 Å²	134.3	89%	0.888	68%	0.68	S	S	*	*			trans	-51.3	101.2	178.4	-67.7	178.1	160.1	0	0	109.2	M5	M5-E7 PolarHBondContact O-N 3.32Å
8	L	69.4	Low	75.2	Confident	158 Å²	158	134.3 Å²	134.3	83%	0.827	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-58.1	132.2	175.9	-73.4	172.7	0	0	0	108.1	D6 A10	D6-L8 PolarHBondContact O-N 3.07Å; L8-A10 PolarHBondContact O-N 3.23Å; L8-A10 VanDerWaalsContact O-N 3.08Å
9	P	75.7	Confident	76.3	Confident	111 Å²	111	134.2 Å²	134.2	72%	0.721	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-58.7	120.7	-179.2	21.1	-30.4	0	0	0	109.6	I11	P9-I11 PolarHBondContact O-N 3.36Å
10	A	83.5	Confident	77.3	Confident	105 Å²	105	127.7 Å²	127.7	87%	0.868	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-74.8	120.9	174.8	0	0	0	0	0	109.2	L8	L8-A10 PolarHBondContact O-N 3.23Å; L8-A10 VanDerWaalsContact O-N 3.08Å
11	I	87.8	Confident	78.3	Confident	118 Å²	118	123 Å²	123	61%	0.605	62%	0.617	S	S	*	*			trans	-104.8	135.6	176.4	-60.6	170.9	0	0	0	108.1	P9 L16	P9-I11 PolarHBondContact O-N 3.36Å; I11-L16 HydrophobicContact CG2-CD1 4.22Å; I11-L16 HydrophobicContact CG2-CD2 4.19Å; I11-L16 HydrophobicContact CG2-CG 4.1Å
12	Q	92.5	Very high	80.9	Confident	134 Å²	134	111.9 Å²	111.9	63%	0.626	56%	0.563	S	S	*	*			trans	-75	133.9	174.7	-57.1	-171.9	18.3	0	0	109.8	S14 D15	Q12-S14 WeakPolarHBondContact CB-OG 3.31Å; Q12-S14 PolarHBondContact O-N 3.16Å; Q12-S14 VanDerWaalsContact O-N 3.14Å; Q12-D15 WeakPolarHBondContact O-CB 3.48Å; Q12-D15 PolarHBondContact O-N 3.45Å
13	L	92.9	Very high	83.1	Confident	54 Å²	54	104.9 Å²	104.9	28%	0.283	54%	0.537	S	S	.	.	H	α-helix	trans	-58.8	-29.7	179.1	-177.2	60.9	0	0	0	112.5	D15 L16 N17 I20 Y28 I86 V87	L13-D15 PolarHBondContact O-N 2.97Å; L13-L16 PolarHBondContact O-N 3.27Å; L13-L16 VanDerWaalsContact O-N 3.14Å; L13-N17 PolarHBondContact O-N 3.36Å; L13-N17 PolarHBondContact O-OD1 3.44Å; L13-I20 HydrophobicContact CD1-CD1 3.94Å; L13-Y28 WeakPolarHBondContact CD2-OH 3.34Å; L13-I86 HydrophobicContact CD1-CG2 3.71Å; L13-V87 HydrophobicContact CD1-CG2 4.18Å; L13-V87 HydrophobicContact CD2-CG1 4.3Å
14	S	94.4	Very high	85.6	Confident	64 Å²	64	98.9 Å²	98.9	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-55.2	-37.3	175.1	47.1	0	0	0	0	113	Q12 L16 N17	Q12-S14 WeakPolarHBondContact CB-OG 3.31Å; Q12-S14 PolarHBondContact O-N 3.16Å; Q12-S14 VanDerWaalsContact O-N 3.14Å; S14-L16 PolarHBondContact O-N 3.24Å; S14-N17 WeakPolarHBondContact O-CB 3.37Å; S14-N17 PolarHBondContact O-N 2.99Å
15	D	94.2	Very high	87.6	Confident	96 Å²	96	92.5 Å²	92.5	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-73.7	-21.6	-175	-52.8	-20	0	0	0	110.9	Q12 L13	Q12-D15 WeakPolarHBondContact O-CB 3.48Å; Q12-D15 PolarHBondContact O-N 3.45Å; L13-D15 PolarHBondContact O-N 2.97Å
16	L	94.8	Very high	89.5	Confident	45 Å²	45	90.8 Å²	90.8	24%	0.236	48%	0.482	C	S	.	.	H	α-helix	trans	-90.7	-18.4	178.8	-57.4	178.2	0	0	0	112.7	I11 L13 S14 E18 F19 I20 I86	I11-L16 HydrophobicContact CG2-CD1 4.22Å; I11-L16 HydrophobicContact CG2-CD2 4.19Å; I11-L16 HydrophobicContact CG2-CG 4.1Å; L13-L16 PolarHBondContact O-N 3.27Å; L13-L16 VanDerWaalsContact O-N 3.14Å; S14-L16 PolarHBondContact O-N 3.24Å; L16-E18 PolarHBondContact O-N 2.98Å; L16-F19 PolarHBondContact O-N 2.93Å; L16-I20 HydrophobicContact CB-CD1 4.16Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 2.78Å; L16-I86 HydrophobicContact CD1-CD1 4.32Å; L16-I86 HydrophobicContact CD1-CG2 3.49Å; L16-I86 VanDerWaalsContact CD1-CG2 3.49Å
17	N	95.6	Very high	91.4	Very high	50 Å²	50	86.5 Å²	86.5	27%	0.267	47%	0.466	S	S	.	.	H	α-helix	trans	-55	-31.1	-172.9	-78	-19.7	0	0	0	113.2	L13 S14 F19 I20 T21 Y28	L13-N17 PolarHBondContact O-N 3.36Å; L13-N17 PolarHBondContact O-OD1 3.44Å; S14-N17 WeakPolarHBondContact O-CB 3.37Å; S14-N17 PolarHBondContact O-N 2.99Å; N17-F19 PolarHBondContact O-N 2.85Å; N17-I20 PolarHBondContact O-N 3.11Å; N17-T21 HydrophobicContact CB-CG2 4.12Å; N17-T21 VanDerWaalsContact O-CB 3.3Å; N17-T21 WeakPolarHBondContact O-CB 3.45Å; N17-T21 WeakPolarHBondContact O-CG2 3.44Å; N17-T21 PolarHBondContact O-N 3.28Å; N17-T21 PolarHBondContact O-OG1 3.31Å; N17-Y28 WeakPolarHBondContact OD1-CE1 3.44Å; N17-Y28 PolarHBondContact OD1-OH 3.46Å
18	E	94.7	Very high	92.9	Very high	135 Å²	135	80.5 Å²	80.5	63%	0.631	44%	0.436	S	S	*	.	H	α-helix	trans	-56.8	-35.7	177.5	-178.1	171.2	-177.8	0	0	112.9	L16 K23	L16-E18 PolarHBondContact O-N 2.98Å; E18-K23 PolarHBondContact O-NZ 3.35Å
19	F	95.3	Very high	94.3	Very high	131 Å²	131	73 Å²	73	58%	0.575	40%	0.396	S	S	*	.	H	α-helix	trans	-94.9	-21.7	-173	-49.6	-71.6	0	0	0	113.8	L16 N17	L16-F19 PolarHBondContact O-N 2.93Å; N17-F19 PolarHBondContact O-N 2.85Å
20	I	97.2	Very high	95.4	Very high	5 Å²	5	69 Å²	69	3%	0.026	37%	0.368	C	S	.	.	H	α-helix	trans	-114.7	4.7	-172.2	64.5	177.7	0	0	0	114.2	L13 L16 N17 Y28 L29 V83 I86 V87	L13-I20 HydrophobicContact CD1-CD1 3.94Å; L16-I20 HydrophobicContact CB-CD1 4.16Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 2.78Å; N17-I20 PolarHBondContact O-N 3.11Å; I20-Y28 HydrophobicContact CD1-CD1 3.95Å; I20-Y28 HydrophobicContact CD1-CE1 3.64Å; I20-Y28 HydrophobicContact CG1-CD1 3.87Å; I20-Y28 HydrophobicContact CG1-CE1 3.84Å; I20-Y28 WeakPolarHBondContact O-CA 3.36Å; I20-L29 WeakPolarHBondContact O-CG 3.43Å; I20-L29 PolarHBondContact O-N 2.95Å; I20-V83 HydrophobicContact CB-CG2 3.93Å; I20-V83 HydrophobicContact CG2-CG2 3.92Å; I20-I86 HydrophobicContact CD1-CG2 4.34Å; I20-V87 HydrophobicContact CD1-CG2 3.73Å
21	T	98.1	Very high	96	Very high	28 Å²	28	66.4 Å²	66.4	17%	0.172	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-108.8	140.6	178.8	60.9	0	0	0	0	112.6	N17 G27 Y28	N17-T21 HydrophobicContact CB-CG2 4.12Å; N17-T21 VanDerWaalsContact O-CB 3.3Å; N17-T21 WeakPolarHBondContact O-CB 3.45Å; N17-T21 WeakPolarHBondContact O-CG2 3.44Å; N17-T21 PolarHBondContact O-N 3.28Å; N17-T21 PolarHBondContact O-OG1 3.31Å; T21-G27 CarbonylContact C-O 3.54Å; T21-G27 VanDerWaalsContact CA-O 3.28Å; T21-G27 WeakPolarHBondContact CA-O 3.49Å; T21-G27 WeakPolarHBondContact CB-O 3.28Å; T21-Y28 HydrophobicContact CG2-CD1 3.89Å; T21-Y28 HydrophobicContact CG2-CE1 4.02Å
22	C	98.6	Very high	96.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.			trans	-75.4	125.6	176.4	-178.7	0	0	0	0	110.6	L24 K26 G27 L29 C43	C22-L24 PolarHBondContact O-N 3.18Å; C22-K26 VanDerWaalsContact O-CA 3.24Å; C22-K26 WeakPolarHBondContact O-CA 3.18Å; C22-K26 PolarHBondContact O-N 2.73Å; C22-G27 PolarHBondContact N-O 3.43Å; C22-L29 HydrophobicContact CB-CD2 3.91Å; C22-C43 VanDerWaalsContact CB-SG 3.52Å; C22-C43 PolarHBondContact SG-N 2.89Å
23	K	97.2	Very high	96.7	Very high	83 Å²	83	54.9 Å²	54.9	36%	0.361	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.1	-179.9	-55	-58	-179	-169.5	0	114	E18 K26 F42 V59	E18-K23 PolarHBondContact O-NZ 3.35Å; K23-K26 WeakPolarHBondContact O-CE 3.47Å; K23-K26 PolarHBondContact O-NZ 3.45Å; K23-F42 HydrophobicContact CB-CE1 4.39Å; K23-V59 HydrophobicContact CB-CG2 4.08Å; K23-V59 HydrophobicContact CG-CG2 3.84Å
24	L	98.2	Very high	96.8	Very high	57 Å²	57	52.7 Å²	52.7	30%	0.298	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-55.5	176.9	-69.9	170.9	0	0	0	112.7	C22 F42 C46 I47 Y50 P58	C22-L24 PolarHBondContact O-N 3.18Å; L24-F42 HydrophobicContact CD1-CD1 3.8Å; L24-F42 HydrophobicContact CD1-CE1 4.39Å; L24-F42 HydrophobicContact CD1-CG 4.37Å; L24-F42 HydrophobicContact CG-CD1 3.88Å; L24-F42 HydrophobicContact CG-CE1 4.21Å; L24-C46 HydrophobicContact CB-CB 3.89Å; L24-C46 HydrophobicContact CD1-CB 3.71Å; L24-C46 HydrophobicContact CG-CB 4.46Å; L24-I47 HydrophobicContact CD1-CD1 4.39Å; L24-Y50 HydrophobicContact CD1-CG 4.4Å; L24-Y50 HydrophobicContact CD2-CD2 3.7Å; L24-Y50 HydrophobicContact CD2-CE2 4.22Å; L24-Y50 HydrophobicContact CD2-CG 4.3Å; L24-P58 HydrophobicContact CD1-CG 4.18Å; L24-P58 HydrophobicContact CD2-CB 3.86Å; L24-P58 HydrophobicContact CD2-CG 3.92Å; L24-P58 HydrophobicContact CG-CB 4.35Å; L24-P58 HydrophobicContact CG-CG 4.23Å
25	C	98.2	Very high	96.9	Very high	68 Å²	68	49.7 Å²	49.7	46%	0.459	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-9.2	-178.2	69.9	0	0	0	0	114.7	G27	C25-G27 PolarHBondContact O-N 3.41Å; C25-G27 VanDerWaalsContact O-N 3.11Å; C25-G27 PolarHBondContact SG-N 2.91Å
26	K	97.4	Very high	96.8	Very high	154 Å²	154	46.7 Å²	46.7	67%	0.67	24%	0.238	S	C	*	.	S	Bend	trans	61.4	8.7	-175.5	-48	-56.5	-172.9	-170.8	0	115.3	C22 K23	C22-K26 VanDerWaalsContact O-CA 3.24Å; C22-K26 WeakPolarHBondContact O-CA 3.18Å; C22-K26 PolarHBondContact O-N 2.73Å; K23-K26 WeakPolarHBondContact O-CE 3.47Å; K23-K26 PolarHBondContact O-NZ 3.45Å
27	G	97.9	Very high	96.6	Very high	30 Å²	30	46.3 Å²	46.3	31%	0.309	24%	0.235	S	C	.	.	S	Bend	trans	-93.2	178.4	169.8	0	0	0	0	0	112.6	T21 C22 C25	T21-G27 CarbonylContact C-O 3.54Å; T21-G27 VanDerWaalsContact CA-O 3.28Å; T21-G27 WeakPolarHBondContact CA-O 3.49Å; T21-G27 WeakPolarHBondContact CB-O 3.28Å; C22-G27 PolarHBondContact N-O 3.43Å; C25-G27 PolarHBondContact O-N 3.41Å; C25-G27 VanDerWaalsContact O-N 3.11Å; C25-G27 PolarHBondContact SG-N 2.91Å
28	Y	98.3	Very high	96.5	Very high	65 Å²	65	43.9 Å²	43.9	26%	0.255	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-61.7	151.1	170.3	-67.2	-61.2	0	0	0	112	L13 N17 I20 T21 I30 V87 L90	L13-Y28 WeakPolarHBondContact CD2-OH 3.34Å; N17-Y28 WeakPolarHBondContact OD1-CE1 3.44Å; N17-Y28 PolarHBondContact OD1-OH 3.46Å; I20-Y28 HydrophobicContact CD1-CD1 3.95Å; I20-Y28 HydrophobicContact CD1-CE1 3.64Å; I20-Y28 HydrophobicContact CG1-CD1 3.87Å; I20-Y28 HydrophobicContact CG1-CE1 3.84Å; I20-Y28 WeakPolarHBondContact O-CA 3.36Å; T21-Y28 HydrophobicContact CG2-CD1 3.89Å; T21-Y28 HydrophobicContact CG2-CE1 4.02Å; Y28-I30 PolarHBondContact O-N 3.21Å; Y28-V87 HydrophobicContact CD1-CG2 3.85Å; Y28-V87 HydrophobicContact CD2-CG1 3.91Å; Y28-V87 HydrophobicContact CD2-CG2 4.42Å; Y28-V87 HydrophobicContact CE1-CG2 3.84Å; Y28-V87 HydrophobicContact CE2-CG1 3.69Å; Y28-V87 HydrophobicContact CE2-CG2 4.4Å; Y28-V87 HydrophobicContact CG-CG1 4.45Å; Y28-V87 HydrophobicContact CG-CG2 4.17Å; Y28-L90 HydrophobicContact CD2-CD1 4.14Å; Y28-L90 HydrophobicContact CD2-CD2 4.41Å; Y28-L90 HydrophobicContact CG-CD2 4.16Å
29	L	98.5	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.			trans	-62.7	122.8	175.7	-67.8	165.4	0	0	0	110.6	I20 C22 A32 P41 F42 L79 Q80 V83	I20-L29 WeakPolarHBondContact O-CG 3.43Å; I20-L29 PolarHBondContact O-N 2.95Å; C22-L29 HydrophobicContact CB-CD2 3.91Å; L29-A32 HydrophobicContact CB-CB 4.24Å; L29-P41 HydrophobicContact CD1-CB 4.07Å; L29-P41 HydrophobicContact CD1-CG 4.22Å; L29-P41 HydrophobicContact CD2-CB 4.32Å; L29-F42 VanDerWaalsContact CD2-C 3.45Å; L29-L79 HydrophobicContact CD1-CD1 4.49Å; L29-L79 HydrophobicContact CD1-CD2 3.63Å; L29-L79 HydrophobicContact CD1-CG 3.99Å; L29-Q80 PolarHBondContact O-NE2 3.5Å; L29-Q80 VanDerWaalsContact O-NE2 3.17Å; L29-Q80 PolarHBondContact O-OE1 3.06Å; L29-V83 HydrophobicContact CB-CG2 4.19Å; L29-V83 HydrophobicContact CD1-CG2 4.22Å
30	I	97.8	Very high	96.6	Very high	26 Å²	26	37.3 Å²	37.3	13%	0.133	20%	0.195	C	C	.	.	S	Bend	trans	-122.2	126.3	173.5	-60	-60.5	0	0	0	107.7	Y28 C43 K44 Y84 L90 E94	Y28-I30 PolarHBondContact O-N 3.21Å; I30-C43 PolarHBondContact N-SG 3.11Å; I30-C43 VanDerWaalsContact O-CA 3.25Å; I30-C43 WeakPolarHBondContact O-CA 3.44Å; I30-C43 VanDerWaalsContact O-CB 3.24Å; I30-C43 WeakPolarHBondContact O-CB 3.41Å; I30-K44 PolarHBondContact O-N 2.9Å; I30-Y84 HydrophobicContact CD1-CE1 4.23Å; I30-L90 HydrophobicContact CD1-CD1 4.19Å; I30-L90 HydrophobicContact CD1-CD2 4.4Å; I30-L90 HydrophobicContact CD1-CG 4.25Å; I30-E94 HydrophobicContact CD1-CB 4.24Å; I30-E94 HydrophobicContact CD1-CG 4.14Å; I30-E94 HydrophobicContact CG2-CG 3.93Å
31	D	96	Very high	96.6	Very high	51 Å²	51	38.6 Å²	38.6	27%	0.273	20%	0.204	S	C	.	.	S	Bend	trans	47.3	63.5	-167.9	-57.1	-37	0	0	0	110.8	V33 K44 R98	D31-V33 PolarHBondContact O-N 2.96Å; D31-K44 HydrophobicContact CB-CB 3.83Å; D31-K44 HydrophobicContact CB-CD 4.49Å; D31-K44 WeakPolarHBondContact O-CB 3.24Å; D31-K44 PolarHBondContact O-N 3.26Å; D31-R98 IonicContact OD1-NH1 2.77Å; D31-R98 IonicContact OD1-NH2 3.47Å; D31-R98 PolarHBondContact OD1-NH2 3.32Å; D31-R98 IonicContact OD2-CZ 3.79Å; D31-R98 IonicContact OD2-NH1 3.43Å; D31-R98 IonicContact OD2-NH2 2.86Å; D31-R98 PolarHBondContact OD2-NH2 3.43Å
32	A	97.6	Very high	96.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	129.8	-175.1	0	0	0	0	0	111.4	L29 F42 D76 L79 Q80	L29-A32 HydrophobicContact CB-CB 4.24Å; A32-F42 WeakPolarHBondContact CA-O 3.32Å; A32-D76 HydrophobicContact CB-CB 4.28Å; A32-D76 PolarHBondContact O-N 3.04Å; A32-L79 HydrophobicContact CB-CD2 4.45Å; A32-L79 HydrophobicContact CB-CG 4.48Å; A32-Q80 HydrophobicContact CB-CB 4.09Å
33	V	97.1	Very high	96.6	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.1	176.5	170	0	0	0	0	107.8	D31 P41 F42 K44 I47 M73 S74 F75	D31-V33 PolarHBondContact O-N 2.96Å; V33-P41 CarbonylContact O-C 3.51Å; V33-P41 WeakPolarHBondContact O-CA 3.5Å; V33-F42 PolarHBondContact N-O 2.81Å; V33-F42 PolarHBondContact O-N 3.48Å; V33-K44 HydrophobicContact CG2-CB 3.84Å; V33-K44 HydrophobicContact CG2-CG 4.24Å; V33-I47 HydrophobicContact CB-CG2 4.04Å; V33-I47 HydrophobicContact CG1-CG2 3.89Å; V33-M73 HydrophobicContact CG1-CB 3.71Å; V33-M73 HydrophobicContact CG1-CG 4.35Å; V33-S74 CarbonylContact C-O 3.51Å; V33-S74 WeakPolarHBondContact CA-O 3.29Å; V33-F75 HydrophobicContact CG2-CD1 3.8Å; V33-F75 HydrophobicContact CG2-CE1 3.96Å; V33-F75 HydrophobicContact CG2-CG 4.41Å
34	S	96.8	Very high	96.6	Very high	9 Å²	9	38 Å²	38	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.8	178	-65.6	0	0	0	0	109.7	T36 S74 D76	S34-T36 PolarHBondContact O-N 2.98Å; S34-S74 PolarHBondContact N-O 3.36Å; S34-S74 PolarHBondContact O-N 3.05Å; S34-D76 WeakPolarHBondContact OG-CB 3.34Å; S34-D76 PolarHBondContact OG-OD2 2.98Å
35	I	95.9	Very high	96.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.5	171	-64.9	171	0	0	0	107.1	E37 C38 L39 H40 F42 I47 C57 I64	I35-E37 VanDerWaalsContact C-N 3.28Å; I35-E37 HydrophobicContact CG2-CB 4.31Å; I35-E37 PolarHBondContact O-N 3.42Å; I35-C38 PolarHBondContact O-N 3.23Å; I35-L39 WeakPolarHBondContact O-CA 3.24Å; I35-L39 PolarHBondContact O-N 3.14Å; I35-H40 PolarHBondContact N-O 3Å; I35-H40 VanDerWaalsContact N-O 3.16Å; I35-F42 HydrophobicContact CD1-CD2 4.25Å; I35-F42 HydrophobicContact CD1-CE2 3.55Å; I35-F42 HydrophobicContact CD1-CZ 4.37Å; I35-F42 HydrophobicContact CG1-CD2 4.35Å; I35-F42 HydrophobicContact CG1-CE2 4.05Å; I35-I47 HydrophobicContact CD1-CD1 4.16Å; I35-C57 HydrophobicContact CD1-CB 3.9Å; I35-I64 HydrophobicContact CD1-CD1 3.66Å; I35-I64 HydrophobicContact CD1-CG1 4Å; I35-I64 HydrophobicContact CG1-CD1 4.22Å; I35-I64 HydrophobicContact CG2-CG1 4.03Å; I35-I64 HydrophobicContact CG2-CG2 4.12Å
36	T	92.2	Very high	96.6	Very high	33 Å²	33	37.6 Å²	37.6	20%	0.202	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-45.7	-175.3	55.8	0	0	0	0	110.2	S34 C38 L39 Y72 K186	S34-T36 PolarHBondContact O-N 2.98Å; T36-C38 VanDerWaalsContact C-N 3.35Å; T36-C38 PolarHBondContact O-N 3.02Å; T36-L39 WeakPolarHBondContact O-CD2 3.11Å; T36-Y72 PolarHBondContact N-O 3.21Å; T36-Y72 WeakPolarHBondContact OG1-CA 3.2Å; T36-Y72 PolarHBondContact OG1-O 2.97Å; T36-K186 VanDerWaalsContact C-NZ 3.28Å; T36-K186 WeakPolarHBondContact O-CE 3.16Å; T36-K186 PolarHBondContact O-NZ 2.93Å
37	E	90	Very high	96.6	Very high	37 Å²	37	30.2 Å²	30.2	17%	0.173	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.4	-174	-64.6	-48.7	97.8	0	0	115.2	I35 Y72 K186 F199	I35-E37 VanDerWaalsContact C-N 3.28Å; I35-E37 HydrophobicContact CG2-CB 4.31Å; I35-E37 PolarHBondContact O-N 3.42Å; E37-Y72 HydrophobicContact CG-CD1 4.17Å; E37-K186 VanDerWaalsContact C-CE 3.49Å; E37-K186 WeakPolarHBondContact O-CE 3.01Å; E37-K186 IonicContact OE1-NZ 3.14Å; E37-F199 HydrophobicContact CB-CZ 4.44Å; E37-F199 WeakPolarHBondContact O-CD1 3.46Å; E37-F199 WeakPolarHBondContact O-CE1 3.45Å; E37-F199 WeakPolarHBondContact O-CZ 3.49Å; E37-F199 WeakPolarHBondContact OE2-CZ 3.2Å
38	C	93.3	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	1.4	-177.9	63.6	0	0	0	0	114.8	I35 T36 H40 I62 I196	I35-C38 PolarHBondContact O-N 3.23Å; T36-C38 VanDerWaalsContact C-N 3.35Å; T36-C38 PolarHBondContact O-N 3.02Å; C38-H40 PolarHBondContact O-N 3.47Å; C38-H40 PolarHBondContact SG-ND1 3.2Å; C38-I62 HydrophobicContact CB-CG2 3.92Å; C38-I196 WeakPolarHBondContact O-CG2 3.27Å
39	L	95.1	Very high	96.5	Very high	80 Å²	80	35.2 Å²	35.2	42%	0.419	19%	0.188	S	C	.	.			trans	51	23.3	-174.9	-49.2	-171.4	0	0	0	115.6	I35 T36 P41 K186 I196	I35-L39 WeakPolarHBondContact O-CA 3.24Å; I35-L39 PolarHBondContact O-N 3.14Å; T36-L39 WeakPolarHBondContact O-CD2 3.11Å; L39-P41 WeakPolarHBondContact O-CD 3.17Å; L39-K186 HydrophobicContact CD1-CD 4.45Å; L39-K186 HydrophobicContact CD2-CD 4.26Å; L39-K186 HydrophobicContact CG-CD 4.14Å; L39-I196 HydrophobicContact CB-CD1 3.84Å; L39-I196 HydrophobicContact CD1-CD1 3.32Å; L39-I196 HydrophobicContact CG-CD1 3.57Å
40	H	96.5	Very high	96.4	Very high	47 Å²	47	37.5 Å²	37.5	22%	0.218	20%	0.197	C	C	.	.			trans	-75.3	127	172.4	-75.3	124.1	0	0	0	110.1	I35 C38 F42 V59 C60	I35-H40 PolarHBondContact N-O 3Å; I35-H40 VanDerWaalsContact N-O 3.16Å; C38-H40 PolarHBondContact O-N 3.47Å; C38-H40 PolarHBondContact SG-ND1 3.2Å; H40-F42 HydrophobicContact CB-CE2 3.82Å; H40-F42 HydrophobicContact CB-CZ 4.06Å; H40-F42 WeakPolarHBondContact O-CD2 3.33Å; H40-F42 VanDerWaalsContact O-CE2 3.28Å; H40-F42 WeakPolarHBondContact O-CE2 3.07Å; H40-V59 HydrophobicContact CB-CB 4.45Å; H40-V59 HydrophobicContact CB-CG2 4.46Å; H40-V59 WeakPolarHBondContact NE2-CG1 3.28Å; H40-C60 PolarHBondContact ND1-SG 3.37Å
41	P	97.7	Very high	96.3	Very high	32 Å²	32	36.5 Å²	36.5	21%	0.208	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	147.1	-177	35	-35.1	0	0	0	113.4	L29 V33 L39 L79	L29-P41 HydrophobicContact CD1-CB 4.07Å; L29-P41 HydrophobicContact CD1-CG 4.22Å; L29-P41 HydrophobicContact CD2-CB 4.32Å; V33-P41 CarbonylContact O-C 3.51Å; V33-P41 WeakPolarHBondContact O-CA 3.5Å; L39-P41 WeakPolarHBondContact O-CD 3.17Å; P41-L79 HydrophobicContact CB-CD2 3.36Å; P41-L79 HydrophobicContact CG-CD2 3.74Å
42	F	98.6	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	164.9	176.3	-55.6	-86.4	0	0	0	110.7	K23 L24 L29 A32 V33 I35 H40 I47 P58 V59	K23-F42 HydrophobicContact CB-CE1 4.39Å; L24-F42 HydrophobicContact CD1-CD1 3.8Å; L24-F42 HydrophobicContact CD1-CE1 4.39Å; L24-F42 HydrophobicContact CD1-CG 4.37Å; L24-F42 HydrophobicContact CG-CD1 3.88Å; L24-F42 HydrophobicContact CG-CE1 4.21Å; L29-F42 VanDerWaalsContact CD2-C 3.45Å; A32-F42 WeakPolarHBondContact CA-O 3.32Å; V33-F42 PolarHBondContact N-O 2.81Å; V33-F42 PolarHBondContact O-N 3.48Å; I35-F42 HydrophobicContact CD1-CD2 4.25Å; I35-F42 HydrophobicContact CD1-CE2 3.55Å; I35-F42 HydrophobicContact CD1-CZ 4.37Å; I35-F42 HydrophobicContact CG1-CD2 4.35Å; I35-F42 HydrophobicContact CG1-CE2 4.05Å; H40-F42 HydrophobicContact CB-CE2 3.82Å; H40-F42 HydrophobicContact CB-CZ 4.06Å; H40-F42 WeakPolarHBondContact O-CD2 3.33Å; H40-F42 VanDerWaalsContact O-CE2 3.28Å; H40-F42 WeakPolarHBondContact O-CE2 3.07Å; F42-I47 HydrophobicContact CB-CB 3.74Å; F42-I47 HydrophobicContact CB-CG1 4.43Å; F42-I47 HydrophobicContact CB-CG2 4.21Å; F42-I47 HydrophobicContact CD2-CB 4.31Å; F42-I47 HydrophobicContact CD2-CD1 3.86Å; F42-I47 HydrophobicContact CD2-CG1 4.07Å; F42-I47 HydrophobicContact CE2-CD1 4.16Å; F42-I47 HydrophobicContact CG-CB 4.15Å; F42-I47 HydrophobicContact CG-CD1 4.15Å; F42-I47 HydrophobicContact CG-CG1 4.36Å; F42-P58 HydrophobicContact CD1-CG 4.47Å; F42-P58 HydrophobicContact CE1-CB 3.82Å; F42-P58 HydrophobicContact CE1-CG 3.72Å; F42-P58 HydrophobicContact CZ-CB 4.02Å; F42-P58 HydrophobicContact CZ-CG 3.75Å; F42-V59 HydrophobicContact CE1-CG2 3.94Å; F42-V59 HydrophobicContact CZ-CG2 3.73Å
43	C	98.5	Very high	96	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.7	166.3	-52.5	0	0	0	0	109.8	C22 I30 S45 C46 I47	C22-C43 VanDerWaalsContact CB-SG 3.52Å; C22-C43 PolarHBondContact SG-N 2.89Å; I30-C43 PolarHBondContact N-SG 3.11Å; I30-C43 VanDerWaalsContact O-CA 3.25Å; I30-C43 WeakPolarHBondContact O-CA 3.44Å; I30-C43 VanDerWaalsContact O-CB 3.24Å; I30-C43 WeakPolarHBondContact O-CB 3.41Å; C43-S45 VanDerWaalsContact C-N 3.31Å; C43-S45 PolarHBondContact O-N 3.05Å; C43-C46 HydrophobicContact CB-CB 4.12Å; C43-C46 WeakPolarHBondContact O-CB 3.48Å; C43-C46 PolarHBondContact O-N 3.49Å; C43-I47 PolarHBondContact O-N 3.29Å
44	K	97.5	Very high	95.9	Very high	95 Å²	95	53.4 Å²	53.4	41%	0.413	27%	0.267	S	S	.	.	H	α-helix	trans	-46	-53.3	175.9	-179.4	-167.1	-176.7	179.1	0	112.4	I30 D31 V33 C46 I47 V48 F75	I30-K44 PolarHBondContact O-N 2.9Å; D31-K44 HydrophobicContact CB-CB 3.83Å; D31-K44 HydrophobicContact CB-CD 4.49Å; D31-K44 WeakPolarHBondContact O-CB 3.24Å; D31-K44 PolarHBondContact O-N 3.26Å; V33-K44 HydrophobicContact CG2-CB 3.84Å; V33-K44 HydrophobicContact CG2-CG 4.24Å; K44-C46 VanDerWaalsContact C-N 3.25Å; K44-C46 PolarHBondContact O-N 3.09Å; K44-I47 PolarHBondContact O-N 3.34Å; K44-V48 HydrophobicContact CG-CG2 4.32Å; K44-V48 WeakPolarHBondContact O-CB 3.4Å; K44-V48 WeakPolarHBondContact O-CG2 3.49Å; K44-V48 PolarHBondContact O-N 3.19Å; K44-F75 HydrophobicContact CB-CE1 4.41Å; K44-F75 HydrophobicContact CD-CE1 3.82Å; K44-F75 HydrophobicContact CD-CZ 3.82Å; K44-F75 HydrophobicContact CG-CE1 4.21Å; K44-F75 HydrophobicContact CG-CZ 4.36Å
45	S	97	Very high	95.8	Very high	90 Å²	90	57.1 Å²	57.1	63%	0.629	28%	0.28	S	S	*	.	H	α-helix	trans	-62.1	-32.7	-177.8	58.1	0	0	0	0	113.1	C43 K49	C43-S45 VanDerWaalsContact C-N 3.31Å; C43-S45 PolarHBondContact O-N 3.05Å; S45-K49 WeakPolarHBondContact O-CB 3.25Å; S45-K49 PolarHBondContact O-N 3.39Å
46	C	98.5	Very high	95.8	Very high	26 Å²	26	62.3 Å²	62.3	18%	0.176	30%	0.304	C	S	.	.	H	α-helix	trans	-75.2	-50.3	-178.7	-65.8	0	0	0	0	111.4	L24 C43 K44 Y50	L24-C46 HydrophobicContact CB-CB 3.89Å; L24-C46 HydrophobicContact CD1-CB 3.71Å; L24-C46 HydrophobicContact CG-CB 4.46Å; C43-C46 HydrophobicContact CB-CB 4.12Å; C43-C46 WeakPolarHBondContact O-CB 3.48Å; C43-C46 PolarHBondContact O-N 3.49Å; K44-C46 VanDerWaalsContact C-N 3.25Å; K44-C46 PolarHBondContact O-N 3.09Å; C46-Y50 WeakPolarHBondContact O-CB 3.24Å; C46-Y50 PolarHBondContact O-N 3.26Å
47	I	97.7	Very high	96	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-73.3	-36.4	-175.4	-168	60.4	0	0	0	112.3	L24 V33 I35 F42 C43 K44 Y50 S51 P58 M73	L24-I47 HydrophobicContact CD1-CD1 4.39Å; V33-I47 HydrophobicContact CB-CG2 4.04Å; V33-I47 HydrophobicContact CG1-CG2 3.89Å; I35-I47 HydrophobicContact CD1-CD1 4.16Å; F42-I47 HydrophobicContact CB-CB 3.74Å; F42-I47 HydrophobicContact CB-CG1 4.43Å; F42-I47 HydrophobicContact CB-CG2 4.21Å; F42-I47 HydrophobicContact CD2-CB 4.31Å; F42-I47 HydrophobicContact CD2-CD1 3.86Å; F42-I47 HydrophobicContact CD2-CG1 4.07Å; F42-I47 HydrophobicContact CE2-CD1 4.16Å; F42-I47 HydrophobicContact CG-CB 4.15Å; F42-I47 HydrophobicContact CG-CD1 4.15Å; F42-I47 HydrophobicContact CG-CG1 4.36Å; C43-I47 PolarHBondContact O-N 3.29Å; K44-I47 PolarHBondContact O-N 3.34Å; I47-Y50 HydrophobicContact CD1-CD1 4.29Å; I47-Y50 PolarHBondContact O-N 2.78Å; I47-S51 VanDerWaalsContact O-CB 3.27Å; I47-S51 WeakPolarHBondContact O-CB 3.33Å; I47-S51 PolarHBondContact O-N 3.04Å; I47-S51 PolarHBondContact O-OG 3.48Å; I47-P58 HydrophobicContact CD1-CG 4.02Å; I47-M73 HydrophobicContact CD1-CE 4.25Å; I47-M73 HydrophobicContact CG1-CE 3.66Å; I47-M73 HydrophobicContact CG1-SD 3.77Å; I47-M73 HydrophobicContact CG2-SD 4.14Å
48	V	96.6	Very high	96.4	Very high	51 Å²	51	61 Å²	61	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-59.5	-51	174.6	171.6	0	0	0	0	109.9	K44 Y50 S51 E52 L70	K44-V48 HydrophobicContact CG-CG2 4.32Å; K44-V48 WeakPolarHBondContact O-CB 3.4Å; K44-V48 WeakPolarHBondContact O-CG2 3.49Å; K44-V48 PolarHBondContact O-N 3.19Å; V48-Y50 PolarHBondContact O-N 2.82Å; V48-S51 PolarHBondContact O-N 3.24Å; V48-S51 PolarHBondContact O-OG 2.92Å; V48-E52 PolarHBondContact O-N 2.77Å; V48-L70 HydrophobicContact CB-CD2 4.48Å; V48-L70 HydrophobicContact CG1-CD2 4.33Å; V48-L70 HydrophobicContact CG2-CD2 4.06Å
49	K	97.2	Very high	96.5	Very high	149 Å²	149	64.3 Å²	64.3	65%	0.648	32%	0.319	S	S	*	.	H	α-helix	trans	-59.8	-45.5	177.3	-175.8	179.2	179.6	-179.4	0	112.4	S45 S51 E52	S45-K49 WeakPolarHBondContact O-CB 3.25Å; S45-K49 PolarHBondContact O-N 3.39Å; K49-S51 VanDerWaalsContact C-N 3.25Å; K49-S51 PolarHBondContact O-N 2.94Å; K49-E52 WeakPolarHBondContact O-CB 3.28Å; K49-E52 PolarHBondContact O-N 3.14Å
50	Y	97.3	Very high	96.6	Very high	48 Å²	48	62.8 Å²	62.8	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-38.7	177.8	177.6	-82.7	0	0	0	112	L24 C46 I47 V48 E52 E53 K54 E56 P58	L24-Y50 HydrophobicContact CD1-CG 4.4Å; L24-Y50 HydrophobicContact CD2-CD2 3.7Å; L24-Y50 HydrophobicContact CD2-CE2 4.22Å; L24-Y50 HydrophobicContact CD2-CG 4.3Å; C46-Y50 WeakPolarHBondContact O-CB 3.24Å; C46-Y50 PolarHBondContact O-N 3.26Å; I47-Y50 HydrophobicContact CD1-CD1 4.29Å; I47-Y50 PolarHBondContact O-N 2.78Å; V48-Y50 PolarHBondContact O-N 2.82Å; Y50-E52 PolarHBondContact O-N 2.77Å; Y50-E53 PolarHBondContact O-N 3.49Å; Y50-K54 HydrophobicContact CD1-CB 4.14Å; Y50-K54 HydrophobicContact CE1-CB 3.46Å; Y50-K54 VanDerWaalsContact CE1-CB 3.46Å; Y50-K54 HydrophobicContact CE1-CD 4.22Å; Y50-K54 HydrophobicContact CE1-CG 4.43Å; Y50-K54 HydrophobicContact CE2-CB 4.41Å; Y50-K54 HydrophobicContact CE2-CD 3.7Å; Y50-K54 VanDerWaalsContact CZ-CD 3.49Å; Y50-K54 PolarHBondContact O-N 2.82Å; Y50-K54 VanDerWaalsContact O-N 3.11Å; Y50-K54 VanDerWaalsContact OH-CD 3.31Å; Y50-K54 WeakPolarHBondContact OH-CD 3.42Å; Y50-E56 WeakPolarHBondContact CE1-O 3.43Å; Y50-P58 HydrophobicContact CD1-CG 3.86Å; Y50-P58 HydrophobicContact CD2-CG 4.12Å; Y50-P58 HydrophobicContact CE1-CG 3.7Å; Y50-P58 HydrophobicContact CE2-CB 4.19Å; Y50-P58 HydrophobicContact CE2-CG 3.91Å; Y50-P58 HydrophobicContact CG-CG 4.08Å
51	S	95	Very high	96.5	Very high	5 Å²	5	62.4 Å²	62.4	4%	0.035	32%	0.324	C	S	.	.	H	α-helix	trans	-72.9	-9.6	-176.6	76.7	0	0	0	0	114.9	I47 V48 K49 K54 R55	I47-S51 VanDerWaalsContact O-CB 3.27Å; I47-S51 WeakPolarHBondContact O-CB 3.33Å; I47-S51 PolarHBondContact O-N 3.04Å; I47-S51 PolarHBondContact O-OG 3.48Å; V48-S51 PolarHBondContact O-N 3.24Å; V48-S51 PolarHBondContact O-OG 2.92Å; K49-S51 VanDerWaalsContact C-N 3.25Å; K49-S51 PolarHBondContact O-N 2.94Å; S51-K54 WeakPolarHBondContact CA-O 3.39Å; S51-R55 PolarHBondContact O-NH1 2.94Å
52	E	94.3	Very high	96.3	Very high	133 Å²	133	62.9 Å²	62.9	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-64.8	-44	172.3	-66.9	172.8	179.8	0	0	110.1	V48 K49 Y50 R55	V48-E52 PolarHBondContact O-N 2.77Å; K49-E52 WeakPolarHBondContact O-CB 3.28Å; K49-E52 PolarHBondContact O-N 3.14Å; Y50-E52 PolarHBondContact O-N 2.77Å; E52-R55 PolarHBondContact O-NH1 3.42Å
53	E	93.3	Very high	96.1	Very high	169 Å²	169	67.1 Å²	67.1	79%	0.79	35%	0.346	S	S	*	.	H	α-helix	trans	-97.7	-36.6	-175.1	-63.8	179	179.6	0	0	113.6	Y50	Y50-E53 PolarHBondContact O-N 3.49Å
54	K	95.1	Very high	95.9	Very high	113 Å²	113	67.1 Å²	67.1	49%	0.491	35%	0.346	S	S	.	.			trans	-117.8	151.4	-172.4	-66.9	-176.9	-179.9	-175.3	0	111.4	Y50 S51	Y50-K54 HydrophobicContact CD1-CB 4.14Å; Y50-K54 HydrophobicContact CE1-CB 3.46Å; Y50-K54 VanDerWaalsContact CE1-CB 3.46Å; Y50-K54 HydrophobicContact CE1-CD 4.22Å; Y50-K54 HydrophobicContact CE1-CG 4.43Å; Y50-K54 HydrophobicContact CE2-CB 4.41Å; Y50-K54 HydrophobicContact CE2-CD 3.7Å; Y50-K54 VanDerWaalsContact CZ-CD 3.49Å; Y50-K54 PolarHBondContact O-N 2.82Å; Y50-K54 VanDerWaalsContact O-N 3.11Å; Y50-K54 VanDerWaalsContact OH-CD 3.31Å; Y50-K54 WeakPolarHBondContact OH-CD 3.42Å; S51-K54 WeakPolarHBondContact CA-O 3.39Å
55	R	94.2	Very high	95.7	Very high	87 Å²	87	64.7 Å²	64.7	33%	0.328	34%	0.336	S	S	.	.			trans	-113.6	3.1	-177.9	-59.4	-61	-179.2	-90	-3	113.5	S51 E52 L63 I64	S51-R55 PolarHBondContact O-NH1 2.94Å; E52-R55 PolarHBondContact O-NH1 3.42Å; R55-L63 HydrophobicContact CB-CD1 3.72Å; R55-I64 WeakPolarHBondContact O-CB 3.31Å; R55-I64 WeakPolarHBondContact O-CG1 3.46Å; R55-I64 PolarHBondContact O-N 3.02Å
56	E	96.4	Very high	95.3	Very high	109 Å²	109	68 Å²	68	51%	0.509	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-108	155.8	-175.2	-67.5	165.7	-166.8	0	0	111.3	Y50 P58 G61 I62	Y50-E56 WeakPolarHBondContact CE1-O 3.43Å; E56-P58 WeakPolarHBondContact O-CD 3.3Å; E56-G61 WeakPolarHBondContact CG-O 3.43Å; E56-I62 CarbonylContact C-O 3.42Å; E56-I62 VanDerWaalsContact CA-O 3.24Å; E56-I62 WeakPolarHBondContact CA-O 3.26Å
57	C	97.3	Very high	94.8	Very high	3 Å²	3	70 Å²	70	2%	0.02	36%	0.356	C	S	.	.			trans	-65.1	129.6	173.6	177.7	0	0	0	0	110.4	I35 V59 C60 G61 I62	I35-C57 HydrophobicContact CD1-CB 3.9Å; C57-V59 PolarHBondContact O-N 3.37Å; C57-V59 PolarHBondContact SG-N 2.88Å; C57-V59 VanDerWaalsContact SG-N 3.39Å; C57-C60 VanDerWaalsContact SG-SG 3.65Å; C57-G61 WeakPolarHBondContact O-CA 3.5Å; C57-G61 PolarHBondContact O-N 3.17Å; C57-I62 HydrophobicContact CB-CG2 3.85Å; C57-I62 PolarHBondContact N-O 3.39Å
58	P	97	Very high	94.4	Very high	40 Å²	40	75.3 Å²	75.3	26%	0.26	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.5	176.2	-21.1	27.9	0	0	0	115.6	L24 F42 I47 Y50 E56	L24-P58 HydrophobicContact CD1-CG 4.18Å; L24-P58 HydrophobicContact CD2-CB 3.86Å; L24-P58 HydrophobicContact CD2-CG 3.92Å; L24-P58 HydrophobicContact CG-CB 4.35Å; L24-P58 HydrophobicContact CG-CG 4.23Å; F42-P58 HydrophobicContact CD1-CG 4.47Å; F42-P58 HydrophobicContact CE1-CB 3.82Å; F42-P58 HydrophobicContact CE1-CG 3.72Å; F42-P58 HydrophobicContact CZ-CB 4.02Å; F42-P58 HydrophobicContact CZ-CG 3.75Å; I47-P58 HydrophobicContact CD1-CG 4.02Å; Y50-P58 HydrophobicContact CD1-CG 3.86Å; Y50-P58 HydrophobicContact CD2-CG 4.12Å; Y50-P58 HydrophobicContact CE1-CG 3.7Å; Y50-P58 HydrophobicContact CE2-CB 4.19Å; Y50-P58 HydrophobicContact CE2-CG 3.91Å; Y50-P58 HydrophobicContact CG-CG 4.08Å; E56-P58 WeakPolarHBondContact O-CD 3.3Å
59	V	96.7	Very high	94.2	Very high	69 Å²	69	73.3 Å²	73.3	42%	0.418	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-55.6	-176.4	176.9	0	0	0	0	111.3	K23 H40 F42 C57	K23-V59 HydrophobicContact CB-CG2 4.08Å; K23-V59 HydrophobicContact CG-CG2 3.84Å; H40-V59 HydrophobicContact CB-CB 4.45Å; H40-V59 HydrophobicContact CB-CG2 4.46Å; H40-V59 WeakPolarHBondContact NE2-CG1 3.28Å; F42-V59 HydrophobicContact CE1-CG2 3.94Å; F42-V59 HydrophobicContact CZ-CG2 3.73Å; C57-V59 PolarHBondContact O-N 3.37Å; C57-V59 PolarHBondContact SG-N 2.88Å; C57-V59 VanDerWaalsContact SG-N 3.39Å
60	C	96.1	Very high	93.9	Very high	49 Å²	49	70.6 Å²	70.6	33%	0.331	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-3.6	-175.1	61.2	0	0	0	0	115	H40 C57 I62	H40-C60 PolarHBondContact ND1-SG 3.37Å; C57-C60 VanDerWaalsContact SG-SG 3.65Å; C60-I62 PolarHBondContact O-N 2.91Å; C60-I62 VanDerWaalsContact O-N 3.17Å; C60-I62 VanDerWaalsContact SG-CG2 3.54Å
61	G	95.2	Very high	93.6	Very high	39 Å²	39	74.1 Å²	74.1	40%	0.402	38%	0.383	S	S	.	.			trans	72.6	0.6	178.7	0	0	0	0	0	115.5	E56 C57	E56-G61 WeakPolarHBondContact CG-O 3.43Å; C57-G61 WeakPolarHBondContact O-CA 3.5Å; C57-G61 PolarHBondContact O-N 3.17Å
62	I	93.7	Very high	93.4	Very high	42 Å²	42	77.6 Å²	77.6	22%	0.215	40%	0.396	C	S	.	.			trans	-62.8	140.6	176.7	-161.9	172.4	0	0	0	110.8	C38 E56 C57 C60 I64 F199	C38-I62 HydrophobicContact CB-CG2 3.92Å; E56-I62 CarbonylContact C-O 3.42Å; E56-I62 VanDerWaalsContact CA-O 3.24Å; E56-I62 WeakPolarHBondContact CA-O 3.26Å; C57-I62 HydrophobicContact CB-CG2 3.85Å; C57-I62 PolarHBondContact N-O 3.39Å; C60-I62 PolarHBondContact O-N 2.91Å; C60-I62 VanDerWaalsContact O-N 3.17Å; C60-I62 VanDerWaalsContact SG-CG2 3.54Å; I62-I64 PolarHBondContact O-N 3.46Å; I62-F199 HydrophobicContact CD1-CE1 3.87Å; I62-F199 HydrophobicContact CD1-CZ 4.44Å
63	L	94.2	Very high	93.4	Very high	88 Å²	88	72.4 Å²	72.4	46%	0.461	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-63.1	121.3	173.3	-176.3	70.9	0	0	0	110.1	R55 Q66	R55-L63 HydrophobicContact CB-CD1 3.72Å; L63-Q66 HydrophobicContact CD2-CG 4.03Å
64	I	93.6	Very high	93.4	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	36%	0.355	C	S	.	.			trans	-70.1	-57.1	176.3	-57.9	174.3	0	0	0	109.3	I35 R55 I62 P69 M73	I35-I64 HydrophobicContact CD1-CD1 3.66Å; I35-I64 HydrophobicContact CD1-CG1 4Å; I35-I64 HydrophobicContact CG1-CD1 4.22Å; I35-I64 HydrophobicContact CG2-CG1 4.03Å; I35-I64 HydrophobicContact CG2-CG2 4.12Å; R55-I64 WeakPolarHBondContact O-CB 3.31Å; R55-I64 WeakPolarHBondContact O-CG1 3.46Å; R55-I64 PolarHBondContact O-N 3.02Å; I62-I64 PolarHBondContact O-N 3.46Å; I64-P69 HydrophobicContact CB-CB 4.36Å; I64-P69 HydrophobicContact CG2-CB 3.99Å; I64-M73 HydrophobicContact CD1-CE 3.79Å; I64-M73 HydrophobicContact CG2-CE 4.18Å
65	H	92.6	Very high	93.4	Very high	44 Å²	44	66.4 Å²	66.4	20%	0.204	35%	0.351	C	S	.	.			trans	-167.6	153.5	174.2	-172.5	-95.7	0	0	0	110.4	S67 H68 Y72	H65-S67 PolarHBondContact CE1-OG 3.31Å; H65-S67 VanDerWaalsContact CE1-OG 3.26Å; H65-S67 PolarHBondContact ND1-N 3.33Å; H65-H68 PolarHBondContact ND1-N 2.99Å; H65-Y72 HydrophobicContact CB-CD2 3.62Å; H65-Y72 HydrophobicContact CB-CE2 4.01Å; H65-Y72 HydrophobicContact CB-CG 4.17Å; H65-Y72 AromaticContact CD2-CD2 3.6Å; H65-Y72 AromaticContact CD2-CE2 3Å; H65-Y72 WeakPolarHBondContact CD2-CE2 3.4Å; H65-Y72 AromaticContact CD2-CZ 3.47Å; H65-Y72 VanDerWaalsContact CD2-CZ 3.47Å; H65-Y72 AromaticContact CG-CD2 3.67Å; H65-Y72 AromaticContact CG-CE2 3.55Å; H65-Y72 AromaticContact NE2-CE2 3.65Å
66	Q	88.4	Confident	93.4	Very high	160 Å²	160	64.5 Å²	64.5	75%	0.748	35%	0.347	S	S	*	.	S	Bend	trans	-65.1	-48.1	-176.9	-66.6	178.3	-8.9	0	0	113.4	L63	L63-Q66 HydrophobicContact CD2-CG 4.03Å
67	S	88.8	Confident	93.2	Very high	67 Å²	67	62 Å²	62	47%	0.469	33%	0.333	S	S	.	.	S	Bend	trans	-117.8	-46.3	-173.5	48.3	0	0	0	0	114.3	H65 P69	H65-S67 PolarHBondContact CE1-OG 3.31Å; H65-S67 VanDerWaalsContact CE1-OG 3.26Å; H65-S67 PolarHBondContact ND1-N 3.33Å; S67-P69 VanDerWaalsContact C-CD 3.44Å; S67-P69 WeakPolarHBondContact O-CD 3.2Å
68	H	89.4	Confident	93	Very high	112 Å²	112	65 Å²	65	52%	0.519	35%	0.351	S	S	.	.			trans	-111.2	71.1	-176.6	-49.3	101.8	0	0	0	113.9	H65 L70 N71	H65-H68 PolarHBondContact ND1-N 2.99Å; H68-L70 PolarHBondContact O-N 2.95Å; H68-N71 HydrophobicContact CB-CB 4.38Å; H68-N71 PolarHBondContact O-N 3.45Å
69	P	91.6	Very high	93	Very high	9 Å²	9	64.5 Å²	64.5	6%	0.058	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58.6	-32	-180	25.1	-34.7	0	0	0	113.3	I64 S67 N71 Y72 M73	I64-P69 HydrophobicContact CB-CB 4.36Å; I64-P69 HydrophobicContact CG2-CB 3.99Å; S67-P69 VanDerWaalsContact C-CD 3.44Å; S67-P69 WeakPolarHBondContact O-CD 3.2Å; P69-N71 PolarHBondContact O-N 3.43Å; P69-Y72 PolarHBondContact O-N 2.84Å; P69-M73 HydrophobicContact CB-CE 4.14Å
70	L	90.9	Very high	93	Very high	92 Å²	92	61.9 Å²	61.9	48%	0.482	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.6	-26.9	179.8	-61.2	-179.6	0	0	0	113.7	V48 H68 Y72 M73	V48-L70 HydrophobicContact CB-CD2 4.48Å; V48-L70 HydrophobicContact CG1-CD2 4.33Å; V48-L70 HydrophobicContact CG2-CD2 4.06Å; H68-L70 PolarHBondContact O-N 2.95Å; L70-Y72 PolarHBondContact O-N 2.81Å; L70-M73 HydrophobicContact CD2-SD 4.1Å; L70-M73 PolarHBondContact O-N 2.62Å
71	N	91.2	Very high	93	Very high	122 Å²	122	62.1 Å²	62.1	65%	0.652	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-72.8	-15	177.5	-68.9	-2.5	0	0	0	112.7	H68 P69	H68-N71 HydrophobicContact CB-CB 4.38Å; H68-N71 PolarHBondContact O-N 3.45Å; P69-N71 PolarHBondContact O-N 3.43Å
72	Y	92	Very high	93	Very high	79 Å²	79	64 Å²	64	31%	0.31	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-109.8	29.7	-178.8	-70.8	-100	0	0	0	110.8	T36 E37 H65 P69 L70	T36-Y72 PolarHBondContact N-O 3.21Å; T36-Y72 WeakPolarHBondContact OG1-CA 3.2Å; T36-Y72 PolarHBondContact OG1-O 2.97Å; E37-Y72 HydrophobicContact CG-CD1 4.17Å; H65-Y72 HydrophobicContact CB-CD2 3.62Å; H65-Y72 HydrophobicContact CB-CE2 4.01Å; H65-Y72 HydrophobicContact CB-CG 4.17Å; H65-Y72 AromaticContact CD2-CD2 3.6Å; H65-Y72 AromaticContact CD2-CE2 3Å; H65-Y72 WeakPolarHBondContact CD2-CE2 3.4Å; H65-Y72 AromaticContact CD2-CZ 3.47Å; H65-Y72 VanDerWaalsContact CD2-CZ 3.47Å; H65-Y72 AromaticContact CG-CD2 3.67Å; H65-Y72 AromaticContact CG-CE2 3.55Å; H65-Y72 AromaticContact NE2-CE2 3.65Å; P69-Y72 PolarHBondContact O-N 2.84Å; L70-Y72 PolarHBondContact O-N 2.81Å
73	M	94.2	Very high	93.2	Very high	23 Å²	23	62 Å²	62	11%	0.113	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.1	176.7	-67.7	177.5	-168.5	0	0	108.8	V33 I47 I64 P69 L70	V33-M73 HydrophobicContact CG1-CB 3.71Å; V33-M73 HydrophobicContact CG1-CG 4.35Å; I47-M73 HydrophobicContact CD1-CE 4.25Å; I47-M73 HydrophobicContact CG1-CE 3.66Å; I47-M73 HydrophobicContact CG1-SD 3.77Å; I47-M73 HydrophobicContact CG2-SD 4.14Å; I64-M73 HydrophobicContact CD1-CE 3.79Å; I64-M73 HydrophobicContact CG2-CE 4.18Å; P69-M73 HydrophobicContact CB-CE 4.14Å; L70-M73 HydrophobicContact CD2-SD 4.1Å; L70-M73 PolarHBondContact O-N 2.62Å
74	S	93.2	Very high	93.3	Very high	62 Å²	62	60.1 Å²	60.1	43%	0.434	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.2	-178.1	-67.3	0	0	0	0	110.4	V33 S34 D76	V33-S74 CarbonylContact C-O 3.51Å; V33-S74 WeakPolarHBondContact CA-O 3.29Å; S34-S74 PolarHBondContact N-O 3.36Å; S34-S74 PolarHBondContact O-N 3.05Å; S74-D76 PolarHBondContact O-N 3.3Å
75	F	94	Very high	93.4	Very high	95 Å²	95	68 Å²	68	42%	0.417	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	125.3	171.1	-75.9	-77.1	0	0	0	110.4	V33 K44 R77	V33-F75 HydrophobicContact CG2-CD1 3.8Å; V33-F75 HydrophobicContact CG2-CE1 3.96Å; V33-F75 HydrophobicContact CG2-CG 4.41Å; K44-F75 HydrophobicContact CB-CE1 4.41Å; K44-F75 HydrophobicContact CD-CE1 3.82Å; K44-F75 HydrophobicContact CD-CZ 3.82Å; K44-F75 HydrophobicContact CG-CE1 4.21Å; K44-F75 HydrophobicContact CG-CZ 4.36Å; F75-R77 HydrophobicContact CB-CG 4.35Å; F75-R77 PolarHBondContact O-N 3.24Å
76	D	95.1	Very high	93.5	Very high	46 Å²	46	69 Å²	69	25%	0.246	35%	0.345	C	S	.	.			trans	-97.2	75	175.3	-161.6	-29	0	0	0	109.3	A32 S34 S74 T78 L79 Q80	A32-D76 HydrophobicContact CB-CB 4.28Å; A32-D76 PolarHBondContact O-N 3.04Å; S34-D76 WeakPolarHBondContact OG-CB 3.34Å; S34-D76 PolarHBondContact OG-OD2 2.98Å; S74-D76 PolarHBondContact O-N 3.3Å; D76-T78 PolarHBondContact O-N 2.94Å; D76-L79 HydrophobicContact CB-CB 4Å; D76-L79 PolarHBondContact O-N 3.25Å; D76-L79 WeakPolarHBondContact OD1-CB 3Å; D76-L79 PolarHBondContact OD1-N 3.37Å; D76-Q80 PolarHBondContact O-N 3Å
77	R	91.7	Very high	93.8	Very high	58 Å²	58	61.9 Å²	61.9	22%	0.219	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-35.1	-176.7	-58.1	-176.2	-154.3	-99.8	1.6	111.4	F75 Q80 D81 S141 N142 Y147	F75-R77 HydrophobicContact CB-CG 4.35Å; F75-R77 PolarHBondContact O-N 3.24Å; R77-Q80 PolarHBondContact O-N 3.5Å; R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 PolarHBondContact O-N 3.34Å; R77-S141 PolarHBondContact NH2-OG 2.99Å; R77-N142 PolarHBondContact NH2-O 3.47Å; R77-Y147 HydrophobicContact CB-CE1 4.01Å; R77-Y147 PolarHBondContact O-OH 3.14Å
78	T	93.6	Very high	94.1	Very high	65 Å²	65	62.9 Å²	62.9	40%	0.399	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-48.5	179.9	-46.4	0	0	0	0	110.2	D76 Q80 D81 I82 Y147	D76-T78 PolarHBondContact O-N 2.94Å; T78-Q80 VanDerWaalsContact C-N 3.31Å; T78-Q80 PolarHBondContact O-N 3.02Å; T78-D81 WeakPolarHBondContact O-CB 3.4Å; T78-D81 PolarHBondContact O-N 3.45Å; T78-I82 HydrophobicContact CG2-CD1 4.17Å; T78-I82 VanDerWaalsContact O-CG1 3.29Å; T78-I82 WeakPolarHBondContact O-CG1 3.41Å; T78-I82 PolarHBondContact O-N 3.19Å; T78-Y147 HydrophobicContact CG2-CE1 4.34Å; T78-Y147 WeakPolarHBondContact OG1-CD1 3.5Å; T78-Y147 WeakPolarHBondContact OG1-CE1 3.34Å
79	L	96.6	Very high	94.4	Very high	30 Å²	30	62.1 Å²	62.1	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-42	176.2	-178.6	58.3	0	0	0	110.8	L29 A32 P41 D76 D81 I82 V83	L29-L79 HydrophobicContact CD1-CD1 4.49Å; L29-L79 HydrophobicContact CD1-CD2 3.63Å; L29-L79 HydrophobicContact CD1-CG 3.99Å; A32-L79 HydrophobicContact CB-CD2 4.45Å; A32-L79 HydrophobicContact CB-CG 4.48Å; P41-L79 HydrophobicContact CB-CD2 3.36Å; P41-L79 HydrophobicContact CG-CD2 3.74Å; D76-L79 HydrophobicContact CB-CB 4Å; D76-L79 PolarHBondContact O-N 3.25Å; D76-L79 WeakPolarHBondContact OD1-CB 3Å; D76-L79 PolarHBondContact OD1-N 3.37Å; L79-D81 VanDerWaalsContact C-N 3.33Å; L79-D81 PolarHBondContact O-N 2.66Å; L79-I82 PolarHBondContact O-N 3.22Å; L79-V83 HydrophobicContact CD1-CG2 4.21Å; L79-V83 HydrophobicContact CG-CG2 4.32Å; L79-V83 WeakPolarHBondContact O-CB 3.45Å; L79-V83 WeakPolarHBondContact O-CG2 3.47Å; L79-V83 PolarHBondContact O-N 3.45Å
80	Q	96.8	Very high	94.7	Very high	13 Å²	13	62.5 Å²	62.5	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-42.4	176.5	-171.1	59.2	60.7	0	0	112.4	L29 A32 D76 R77 T78 V83 Y84	L29-Q80 PolarHBondContact O-NE2 3.5Å; L29-Q80 VanDerWaalsContact O-NE2 3.17Å; L29-Q80 PolarHBondContact O-OE1 3.06Å; A32-Q80 HydrophobicContact CB-CB 4.09Å; D76-Q80 PolarHBondContact O-N 3Å; R77-Q80 PolarHBondContact O-N 3.5Å; T78-Q80 VanDerWaalsContact C-N 3.31Å; T78-Q80 PolarHBondContact O-N 3.02Å; Q80-V83 PolarHBondContact O-N 3.18Å; Q80-Y84 HydrophobicContact CG-CD2 3.91Å; Q80-Y84 HydrophobicContact CG-CE2 3.58Å; Q80-Y84 VanDerWaalsContact NE2-CE1 3.25Å; Q80-Y84 VanDerWaalsContact NE2-CE2 3.35Å; Q80-Y84 PolarHBondContact O-N 2.86Å
81	D	95.4	Very high	94.9	Very high	55 Å²	55	61.2 Å²	61.2	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-42.1	175.3	-91.2	16.1	0	0	0	111.9	R77 T78 L79 Y84 K85 Y147	R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 PolarHBondContact O-N 3.34Å; T78-D81 WeakPolarHBondContact O-CB 3.4Å; T78-D81 PolarHBondContact O-N 3.45Å; L79-D81 VanDerWaalsContact C-N 3.33Å; L79-D81 PolarHBondContact O-N 2.66Å; D81-Y84 PolarHBondContact O-N 2.68Å; D81-K85 WeakPolarHBondContact O-CB 3.46Å; D81-K85 VanDerWaalsContact O-CG 3.26Å; D81-K85 WeakPolarHBondContact O-CG 3.35Å; D81-K85 PolarHBondContact O-N 2.72Å; D81-Y147 PolarHBondContact OD2-OH 3.06Å
82	I	95.9	Very high	95.1	Very high	77 Å²	77	59.7 Å²	59.7	40%	0.395	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-48.8	175.2	-70.6	167.2	0	0	0	109.8	T78 L79 Y84 K85 I86	T78-I82 HydrophobicContact CG2-CD1 4.17Å; T78-I82 VanDerWaalsContact O-CG1 3.29Å; T78-I82 WeakPolarHBondContact O-CG1 3.41Å; T78-I82 PolarHBondContact O-N 3.19Å; L79-I82 PolarHBondContact O-N 3.22Å; I82-Y84 PolarHBondContact O-N 3.16Å; I82-K85 PolarHBondContact O-N 3.37Å; I82-K85 VanDerWaalsContact O-N 3.15Å; I82-I86 HydrophobicContact CG2-CD1 3.47Å; I82-I86 VanDerWaalsContact CG2-CD1 3.47Å; I82-I86 HydrophobicContact CG2-CG1 4.29Å; I82-I86 WeakPolarHBondContact O-CB 3.49Å; I82-I86 WeakPolarHBondContact O-CG1 3.27Å; I82-I86 PolarHBondContact O-N 2.88Å
83	V	97.4	Very high	95.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-45.6	179.3	174.1	0	0	0	0	110.9	I20 L29 L79 Q80 K85 I86 V87 L90	I20-V83 HydrophobicContact CB-CG2 3.93Å; I20-V83 HydrophobicContact CG2-CG2 3.92Å; L29-V83 HydrophobicContact CB-CG2 4.19Å; L29-V83 HydrophobicContact CD1-CG2 4.22Å; L79-V83 HydrophobicContact CD1-CG2 4.21Å; L79-V83 HydrophobicContact CG-CG2 4.32Å; L79-V83 WeakPolarHBondContact O-CB 3.45Å; L79-V83 WeakPolarHBondContact O-CG2 3.47Å; L79-V83 PolarHBondContact O-N 3.45Å; Q80-V83 PolarHBondContact O-N 3.18Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 3.27Å; V83-I86 PolarHBondContact O-N 3.46Å; V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CB 3.48Å; V83-V87 WeakPolarHBondContact O-CG2 3.29Å; V83-V87 PolarHBondContact O-N 2.81Å; V83-L90 HydrophobicContact CG1-CD2 3.58Å
84	Y	96.9	Very high	95.4	Very high	49 Å²	49	61 Å²	61	19%	0.192	31%	0.305	C	S	.	.	H	α-helix	trans	-68.2	-27.6	177.7	-74.8	-31.9	0	0	0	114.1	I30 Q80 D81 I82 L90 K91	I30-Y84 HydrophobicContact CD1-CE1 4.23Å; Q80-Y84 HydrophobicContact CG-CD2 3.91Å; Q80-Y84 HydrophobicContact CG-CE2 3.58Å; Q80-Y84 VanDerWaalsContact NE2-CE1 3.25Å; Q80-Y84 VanDerWaalsContact NE2-CE2 3.35Å; Q80-Y84 PolarHBondContact O-N 2.86Å; D81-Y84 PolarHBondContact O-N 2.68Å; I82-Y84 PolarHBondContact O-N 3.16Å; Y84-L90 HydrophobicContact CD1-CB 4.4Å; Y84-L90 HydrophobicContact CD1-CD2 4.15Å; Y84-L90 HydrophobicContact CD1-CG 4.16Å; Y84-L90 HydrophobicContact CE1-CD2 4.42Å; Y84-L90 HydrophobicContact CE1-CG 4.26Å; Y84-K91 HydrophobicContact CD1-CB 3.73Å; Y84-K91 HydrophobicContact CD1-CG 4.3Å; Y84-K91 HydrophobicContact CD2-CB 4.4Å; Y84-K91 HydrophobicContact CD2-CD 4.38Å; Y84-K91 HydrophobicContact CD2-CG 4.19Å; Y84-K91 HydrophobicContact CE1-CB 4.07Å; Y84-K91 HydrophobicContact CE1-CG 4.38Å; Y84-K91 HydrophobicContact CE2-CG 4.26Å; Y84-K91 HydrophobicContact CG-CB 3.92Å; Y84-K91 HydrophobicContact CG-CG 4.22Å
85	K	95.1	Very high	95.3	Very high	169 Å²	169	61.5 Å²	61.5	74%	0.735	30%	0.297	S	S	*	.	H	α-helix	trans	-79.5	-35.3	175.7	-75.7	170.4	-177.9	168.4	0	112.8	D81 I82 V83	D81-K85 WeakPolarHBondContact O-CB 3.46Å; D81-K85 VanDerWaalsContact O-CG 3.26Å; D81-K85 WeakPolarHBondContact O-CG 3.35Å; D81-K85 PolarHBondContact O-N 2.72Å; I82-K85 PolarHBondContact O-N 3.37Å; I82-K85 VanDerWaalsContact O-N 3.15Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 3.27Å
86	I	94.5	Very high	95.3	Very high	67 Å²	67	62.9 Å²	62.9	34%	0.344	31%	0.305	S	S	.	.	H	α-helix	trans	-83.5	-37.3	-175	-69.5	177	0	0	0	112	L13 L16 I20 I82 V83 P88	L13-I86 HydrophobicContact CD1-CG2 3.71Å; L16-I86 HydrophobicContact CD1-CD1 4.32Å; L16-I86 HydrophobicContact CD1-CG2 3.49Å; L16-I86 VanDerWaalsContact CD1-CG2 3.49Å; I20-I86 HydrophobicContact CD1-CG2 4.34Å; I82-I86 HydrophobicContact CG2-CD1 3.47Å; I82-I86 VanDerWaalsContact CG2-CD1 3.47Å; I82-I86 HydrophobicContact CG2-CG1 4.29Å; I82-I86 WeakPolarHBondContact O-CB 3.49Å; I82-I86 WeakPolarHBondContact O-CG1 3.27Å; I82-I86 PolarHBondContact O-N 2.88Å; V83-I86 PolarHBondContact O-N 3.46Å; I86-P88 WeakPolarHBondContact O-CD 3.43Å
87	V	96.3	Very high	95.3	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.055	32%	0.323	C	S	.	.	S	Bend	trans	-92.5	113.1	-176.6	-172.4	0	0	0	0	110.2	L13 I20 Y28 V83 D89 L90	L13-V87 HydrophobicContact CD1-CG2 4.18Å; L13-V87 HydrophobicContact CD2-CG1 4.3Å; I20-V87 HydrophobicContact CD1-CG2 3.73Å; Y28-V87 HydrophobicContact CD1-CG2 3.85Å; Y28-V87 HydrophobicContact CD2-CG1 3.91Å; Y28-V87 HydrophobicContact CD2-CG2 4.42Å; Y28-V87 HydrophobicContact CE1-CG2 3.84Å; Y28-V87 HydrophobicContact CE2-CG1 3.69Å; Y28-V87 HydrophobicContact CE2-CG2 4.4Å; Y28-V87 HydrophobicContact CG-CG1 4.45Å; Y28-V87 HydrophobicContact CG-CG2 4.17Å; V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CB 3.48Å; V83-V87 WeakPolarHBondContact O-CG2 3.29Å; V83-V87 PolarHBondContact O-N 2.81Å; V87-D89 PolarHBondContact O-N 2.84Å; V87-L90 HydrophobicContact CB-CB 3.77Å; V87-L90 HydrophobicContact CB-CD2 3.77Å; V87-L90 HydrophobicContact CB-CG 4.36Å; V87-L90 HydrophobicContact CG1-CB 3.72Å; V87-L90 HydrophobicContact CG1-CD1 4.44Å; V87-L90 HydrophobicContact CG1-CD2 4.02Å; V87-L90 HydrophobicContact CG1-CG 4.28Å; V87-L90 HydrophobicContact CG2-CD2 4.01Å; V87-L90 WeakPolarHBondContact O-CB 3.39Å; V87-L90 PolarHBondContact O-N 3.35Å
88	P	95.2	Very high	95.4	Very high	88 Å²	88	67.9 Å²	67.9	57%	0.571	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	134.8	-177.7	-24.3	35.1	0	0	0	113.1	I86 L90	I86-P88 WeakPolarHBondContact O-CD 3.43Å; P88-L90 PolarHBondContact O-N 2.85Å
89	D	95.6	Very high	95.2	Very high	96 Å²	96	67.5 Å²	67.5	51%	0.513	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	8.8	179.3	-46.7	-47.3	0	0	0	115.8	V87 K91 Q92 K93	V87-D89 PolarHBondContact O-N 2.84Å; D89-K91 PolarHBondContact O-N 3.49Å; D89-Q92 VanDerWaalsContact CA-OE1 3.27Å; D89-Q92 PolarHBondContact O-N 3.32Å; D89-K93 HydrophobicContact CB-CD 4.13Å; D89-K93 HydrophobicContact CB-CG 4.31Å; D89-K93 VanDerWaalsContact O-CB 3.31Å; D89-K93 WeakPolarHBondContact O-CB 3.48Å; D89-K93 VanDerWaalsContact O-CG 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.46Å; D89-K93 PolarHBondContact O-N 3.05Å; D89-K93 IonicContact OD2-NZ 3.61Å
90	L	96.9	Very high	95.1	Very high	18 Å²	18	69.9 Å²	69.9	9%	0.094	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-45.2	-173.5	-179	63.9	0	0	0	111.4	Y28 I30 V83 Y84 V87 P88 K93 E94	Y28-L90 HydrophobicContact CD2-CD1 4.14Å; Y28-L90 HydrophobicContact CD2-CD2 4.41Å; Y28-L90 HydrophobicContact CG-CD2 4.16Å; I30-L90 HydrophobicContact CD1-CD1 4.19Å; I30-L90 HydrophobicContact CD1-CD2 4.4Å; I30-L90 HydrophobicContact CD1-CG 4.25Å; V83-L90 HydrophobicContact CG1-CD2 3.58Å; Y84-L90 HydrophobicContact CD1-CB 4.4Å; Y84-L90 HydrophobicContact CD1-CD2 4.15Å; Y84-L90 HydrophobicContact CD1-CG 4.16Å; Y84-L90 HydrophobicContact CE1-CD2 4.42Å; Y84-L90 HydrophobicContact CE1-CG 4.26Å; V87-L90 HydrophobicContact CB-CB 3.77Å; V87-L90 HydrophobicContact CB-CD2 3.77Å; V87-L90 HydrophobicContact CB-CG 4.36Å; V87-L90 HydrophobicContact CG1-CB 3.72Å; V87-L90 HydrophobicContact CG1-CD1 4.44Å; V87-L90 HydrophobicContact CG1-CD2 4.02Å; V87-L90 HydrophobicContact CG1-CG 4.28Å; V87-L90 HydrophobicContact CG2-CD2 4.01Å; V87-L90 WeakPolarHBondContact O-CB 3.39Å; V87-L90 PolarHBondContact O-N 3.35Å; P88-L90 PolarHBondContact O-N 2.85Å; L90-K93 PolarHBondContact O-N 3.37Å; L90-E94 WeakPolarHBondContact O-CB 3.4Å; L90-E94 PolarHBondContact O-N 3.17Å
91	K	95.6	Very high	95	Very high	64 Å²	64	74.8 Å²	74.8	28%	0.278	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-46.7	178	-169.7	-174.7	178.2	-163.9	0	110.9	Y84 D89 E94 R95 D114 E118	Y84-K91 HydrophobicContact CD1-CB 3.73Å; Y84-K91 HydrophobicContact CD1-CG 4.3Å; Y84-K91 HydrophobicContact CD2-CB 4.4Å; Y84-K91 HydrophobicContact CD2-CD 4.38Å; Y84-K91 HydrophobicContact CD2-CG 4.19Å; Y84-K91 HydrophobicContact CE1-CB 4.07Å; Y84-K91 HydrophobicContact CE1-CG 4.38Å; Y84-K91 HydrophobicContact CE2-CG 4.26Å; Y84-K91 HydrophobicContact CG-CB 3.92Å; Y84-K91 HydrophobicContact CG-CG 4.22Å; D89-K91 PolarHBondContact O-N 3.49Å; K91-E94 PolarHBondContact O-N 3.31Å; K91-R95 VanDerWaalsContact O-CB 3.27Å; K91-R95 WeakPolarHBondContact O-CB 3.41Å; K91-R95 PolarHBondContact O-N 2.6Å; K91-D114 IonicContact NZ-OD2 2.83Å; K91-E118 IonicContact NZ-OE1 3.49Å; K91-E118 PolarHBondContact NZ-OE1 3.48Å
92	Q	94.6	Very high	94.9	Very high	91 Å²	91	74.2 Å²	74.2	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-65.5	-43.6	-179.8	-66.3	79.3	1.9	0	0	111.6	D89 R95 Q96	D89-Q92 VanDerWaalsContact CA-OE1 3.27Å; D89-Q92 PolarHBondContact O-N 3.32Å; Q92-R95 WeakPolarHBondContact O-CB 3.34Å; Q92-R95 PolarHBondContact O-N 3.27Å; Q92-Q96 WeakPolarHBondContact O-CB 3.43Å; Q92-Q96 PolarHBondContact O-N 2.93Å
93	K	96.4	Very high	94.8	Very high	101 Å²	101	79.2 Å²	79.2	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-43.5	176.7	-75.3	168.1	-178	155.7	0	111.7	D89 L90 Q96 R97	D89-K93 HydrophobicContact CB-CD 4.13Å; D89-K93 HydrophobicContact CB-CG 4.31Å; D89-K93 VanDerWaalsContact O-CB 3.31Å; D89-K93 WeakPolarHBondContact O-CB 3.48Å; D89-K93 VanDerWaalsContact O-CG 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.46Å; D89-K93 PolarHBondContact O-N 3.05Å; D89-K93 IonicContact OD2-NZ 3.61Å; L90-K93 PolarHBondContact O-N 3.37Å; K93-Q96 PolarHBondContact O-N 3.46Å; K93-R97 WeakPolarHBondContact O-CG 3.39Å; K93-R97 PolarHBondContact O-N 3.38Å
94	E	96	Very high	94.7	Very high	29 Å²	29	83.7 Å²	83.7	14%	0.136	39%	0.39	C	S	.	.	H	α-helix	trans	-65.2	-45.6	177.1	177.4	57.6	-166.1	0	0	111.4	I30 L90 K91 Q96 R97 R98	I30-E94 HydrophobicContact CD1-CB 4.24Å; I30-E94 HydrophobicContact CD1-CG 4.14Å; I30-E94 HydrophobicContact CG2-CG 3.93Å; L90-E94 WeakPolarHBondContact O-CB 3.4Å; L90-E94 PolarHBondContact O-N 3.17Å; K91-E94 PolarHBondContact O-N 3.31Å; E94-Q96 VanDerWaalsContact C-N 3.33Å; E94-Q96 PolarHBondContact O-N 3.42Å; E94-R97 WeakPolarHBondContact O-CB 3.29Å; E94-R97 PolarHBondContact O-N 3.04Å; E94-R97 VanDerWaalsContact O-N 3.14Å; E94-R98 WeakPolarHBondContact O-CG 3.35Å; E94-R98 PolarHBondContact O-N 3.44Å; E94-R98 IonicContact OE1-CZ 3.71Å; E94-R98 IonicContact OE1-NE 2.82Å; E94-R98 PolarHBondContact OE1-NE 2.96Å; E94-R98 IonicContact OE1-NH2 3.19Å; E94-R98 PolarHBondContact OE1-NH2 3.31Å; E94-R98 VanDerWaalsContact OE1-NH2 3.14Å
95	R	92.3	Very high	94.5	Very high	72 Å²	72	85.7 Å²	85.7	27%	0.272	40%	0.404	S	S	.	.	H	α-helix	trans	-53.1	-48.5	171.8	156.9	157.6	-170.8	175.6	8.5	112.1	K91 Q92 R97 R98 E99 L115	K91-R95 VanDerWaalsContact O-CB 3.27Å; K91-R95 WeakPolarHBondContact O-CB 3.41Å; K91-R95 PolarHBondContact O-N 2.6Å; Q92-R95 WeakPolarHBondContact O-CB 3.34Å; Q92-R95 PolarHBondContact O-N 3.27Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 3.45Å; R95-R98 PolarHBondContact O-N 3.01Å; R95-E99 IonicContact CZ-OE1 3.64Å; R95-E99 IonicContact NE-OE1 3.72Å; R95-E99 PolarHBondContact NE-OE1 3.02Å; R95-E99 IonicContact NH2-OE1 3.9Å; R95-E99 PolarHBondContact NH2-OE1 3.09Å; R95-E99 WeakPolarHBondContact O-CG 3.2Å; R95-E99 PolarHBondContact O-N 3.14Å; R95-L115 HydrophobicContact CB-CD2 3.94Å; R95-L115 HydrophobicContact CG-CD2 3.43Å; R95-L115 VanDerWaalsContact CG-CD2 3.43Å; R95-L115 VanDerWaalsContact CZ-O 3.28Å; R95-L115 PolarHBondContact NH1-O 2.99Å; R95-L115 PolarHBondContact NH2-O 3.42Å
96	Q	93.8	Very high	94.4	Very high	124 Å²	124	81.2 Å²	81.2	58%	0.579	41%	0.405	S	S	*	.	H	α-helix	trans	-61.3	-41.1	178.5	-171.6	-178.2	23.1	0	0	111.9	Q92 K93 E94 E99 V100	Q92-Q96 WeakPolarHBondContact O-CB 3.43Å; Q92-Q96 PolarHBondContact O-N 2.93Å; K93-Q96 PolarHBondContact O-N 3.46Å; E94-Q96 VanDerWaalsContact C-N 3.33Å; E94-Q96 PolarHBondContact O-N 3.42Å; Q96-E99 PolarHBondContact O-N 3.28Å; Q96-V100 WeakPolarHBondContact O-CB 3.46Å; Q96-V100 VanDerWaalsContact O-CG2 3.29Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.65Å
97	R	94.7	Very high	94.1	Very high	167 Å²	167	84.8 Å²	84.8	63%	0.63	42%	0.418	S	S	*	.	H	α-helix	trans	-60.6	-44.7	175.7	-72.1	170.6	-179.7	177	-1	111.7	K93 E94 R95 V100 F101	K93-R97 WeakPolarHBondContact O-CG 3.39Å; K93-R97 PolarHBondContact O-N 3.38Å; E94-R97 WeakPolarHBondContact O-CB 3.29Å; E94-R97 PolarHBondContact O-N 3.04Å; E94-R97 VanDerWaalsContact O-N 3.14Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 3.45Å; R97-V100 PolarHBondContact O-N 3.13Å; R97-F101 WeakPolarHBondContact O-CB 2.88Å; R97-F101 PolarHBondContact O-N 3.04Å
98	R	93.2	Very high	93.5	Very high	42 Å²	42	90.2 Å²	90.2	16%	0.158	45%	0.452	C	S	.	.	H	α-helix	trans	-63	-46.7	176.6	-64.7	-175.9	-170	-169.6	-3.5	111.3	D31 E94 R95 V100 F101 Y102 E113	D31-R98 IonicContact OD1-NH1 2.77Å; D31-R98 IonicContact OD1-NH2 3.47Å; D31-R98 PolarHBondContact OD1-NH2 3.32Å; D31-R98 IonicContact OD2-CZ 3.79Å; D31-R98 IonicContact OD2-NH1 3.43Å; D31-R98 IonicContact OD2-NH2 2.86Å; D31-R98 PolarHBondContact OD2-NH2 3.43Å; E94-R98 WeakPolarHBondContact O-CG 3.35Å; E94-R98 PolarHBondContact O-N 3.44Å; E94-R98 IonicContact OE1-CZ 3.71Å; E94-R98 IonicContact OE1-NE 2.82Å; E94-R98 PolarHBondContact OE1-NE 2.96Å; E94-R98 IonicContact OE1-NH2 3.19Å; E94-R98 PolarHBondContact OE1-NH2 3.31Å; E94-R98 VanDerWaalsContact OE1-NH2 3.14Å; R95-R98 PolarHBondContact O-N 3.01Å; R98-V100 PolarHBondContact O-N 3.3Å; R98-F101 WeakPolarHBondContact O-CB 3.41Å; R98-F101 PolarHBondContact O-N 3.42Å; R98-Y102 WeakPolarHBondContact O-CD2 3.33Å; R98-Y102 PolarHBondContact O-N 2.78Å; R98-E113 WeakPolarHBondContact CD-OE2 3Å; R98-E113 IonicContact CZ-OE2 3.4Å; R98-E113 IonicContact NE-OE2 3.55Å; R98-E113 IonicContact NH1-OE1 3.64Å; R98-E113 IonicContact NH1-OE2 3.88Å; R98-E113 PolarHBondContact NH1-OE2 3.27Å
99	E	91.1	Very high	92.8	Very high	57 Å²	57	88 Å²	88	27%	0.266	44%	0.437	S	S	.	.	H	α-helix	trans	-59.6	-44	177.9	-73.8	177.4	-174.6	0	0	112.5	R95 Q96 F101 Y102 R103 L115	R95-E99 IonicContact CZ-OE1 3.64Å; R95-E99 IonicContact NE-OE1 3.72Å; R95-E99 PolarHBondContact NE-OE1 3.02Å; R95-E99 IonicContact NH2-OE1 3.9Å; R95-E99 PolarHBondContact NH2-OE1 3.09Å; R95-E99 WeakPolarHBondContact O-CG 3.2Å; R95-E99 PolarHBondContact O-N 3.14Å; Q96-E99 PolarHBondContact O-N 3.28Å; E99-F101 VanDerWaalsContact C-N 3.35Å; E99-Y102 PolarHBondContact O-N 3.41Å; E99-R103 VanDerWaalsContact O-CB 3.28Å; E99-R103 WeakPolarHBondContact O-CB 3.46Å; E99-R103 PolarHBondContact O-N 2.57Å; E99-L115 HydrophobicContact CG-CD1 4.06Å; E99-L115 HydrophobicContact CG-CD2 4.07Å
100	V	94.3	Very high	92.2	Very high	80 Å²	80	85.7 Å²	85.7	49%	0.485	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-40.9	176.4	170.6	0	0	0	0	111.3	Q96 R97 R98 R103 S104	Q96-V100 WeakPolarHBondContact O-CB 3.46Å; Q96-V100 VanDerWaalsContact O-CG2 3.29Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.65Å; R97-V100 PolarHBondContact O-N 3.13Å; R98-V100 PolarHBondContact O-N 3.3Å; V100-R103 PolarHBondContact O-N 3.28Å; V100-S104 PolarHBondContact O-N 3.29Å
101	F	94.8	Very high	91	Very high	115 Å²	115	91.5 Å²	91.5	50%	0.504	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-47.3	177	174.8	-101.2	0	0	0	112.7	R97 R98 E99 R103 S104 L105	R97-F101 WeakPolarHBondContact O-CB 2.88Å; R97-F101 PolarHBondContact O-N 3.04Å; R98-F101 WeakPolarHBondContact O-CB 3.41Å; R98-F101 PolarHBondContact O-N 3.42Å; E99-F101 VanDerWaalsContact C-N 3.35Å; F101-R103 VanDerWaalsContact C-N 3.32Å; F101-R103 PolarHBondContact O-N 3.01Å; F101-S104 PolarHBondContact O-N 2.78Å; F101-S104 PolarHBondContact O-OG 3.35Å; F101-L105 HydrophobicContact CD1-CD1 4.22Å; F101-L105 HydrophobicContact CE1-CD1 3.58Å; F101-L105 HydrophobicContact CE2-CD1 4.24Å; F101-L105 HydrophobicContact CZ-CD1 3.6Å; F101-L105 HydrophobicContact CZ-CG 4.44Å; F101-L105 PolarHBondContact O-N 3.29Å
102	Y	93.1	Very high	89.7	Confident	44 Å²	44	93.6 Å²	93.6	17%	0.173	49%	0.489	C	S	.	.	H	α-helix	trans	-65.5	-38.1	177.5	-79.5	-71	0	0	0	111.9	R98 E99 S104 L105 G106 K107 P109 P110 E113	R98-Y102 WeakPolarHBondContact O-CD2 3.33Å; R98-Y102 PolarHBondContact O-N 2.78Å; E99-Y102 PolarHBondContact O-N 3.41Å; Y102-S104 VanDerWaalsContact C-N 3.34Å; Y102-S104 PolarHBondContact O-N 3.38Å; Y102-L105 PolarHBondContact O-N 3.36Å; Y102-L105 VanDerWaalsContact O-N 3.16Å; Y102-G106 PolarHBondContact O-N 3.33Å; Y102-K107 CarbonylContact C-O 3.3Å; Y102-K107 VanDerWaalsContact C-O 3.3Å; Y102-K107 WeakPolarHBondContact CB-O 3.03Å; Y102-K107 HydrophobicContact CD1-CB 4.32Å; Y102-K107 PolarHBondContact O-N 3.06Å; Y102-P109 HydrophobicContact CD2-CB 3.58Å; Y102-P109 HydrophobicContact CD2-CG 3.53Å; Y102-P109 HydrophobicContact CE2-CB 3.8Å; Y102-P109 HydrophobicContact CE2-CG 4.27Å; Y102-P109 HydrophobicContact CG-CB 4Å; Y102-P109 HydrophobicContact CG-CG 3.76Å; Y102-P110 WeakPolarHBondContact OH-CD 3.44Å; Y102-E113 HydrophobicContact CE2-CG 4.35Å
103	R	92.3	Very high	88.4	Confident	182 Å²	182	91.3 Å²	91.3	69%	0.687	48%	0.478	S	S	*	.	H	α-helix	trans	-61.3	-40.8	174.6	-172	-178.9	-61.5	157.1	4.6	112.1	E99 V100 F101 L105 G106	E99-R103 VanDerWaalsContact O-CB 3.28Å; E99-R103 WeakPolarHBondContact O-CB 3.46Å; E99-R103 PolarHBondContact O-N 2.57Å; V100-R103 PolarHBondContact O-N 3.28Å; F101-R103 VanDerWaalsContact C-N 3.32Å; F101-R103 PolarHBondContact O-N 3.01Å; R103-L105 PolarHBondContact O-N 2.86Å; R103-G106 PolarHBondContact O-N 3.04Å
104	S	95.4	Very high	86.6	Confident	94 Å²	94	91.6 Å²	91.6	66%	0.657	49%	0.485	S	S	*	.	H	α-helix	trans	-68.2	-23.4	177.8	72.2	0	0	0	0	113	V100 F101 Y102	V100-S104 PolarHBondContact O-N 3.29Å; F101-S104 PolarHBondContact O-N 2.78Å; F101-S104 PolarHBondContact O-OG 3.35Å; Y102-S104 VanDerWaalsContact C-N 3.34Å; Y102-S104 PolarHBondContact O-N 3.38Å
105	L	94	Very high	84.8	Confident	91 Å²	91	91.7 Å²	91.7	48%	0.476	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.6	171.7	-64.7	179	0	0	0	114	F101 Y102 R103 K107	F101-L105 HydrophobicContact CD1-CD1 4.22Å; F101-L105 HydrophobicContact CE1-CD1 3.58Å; F101-L105 HydrophobicContact CE2-CD1 4.24Å; F101-L105 HydrophobicContact CZ-CD1 3.6Å; F101-L105 HydrophobicContact CZ-CG 4.44Å; F101-L105 PolarHBondContact O-N 3.29Å; Y102-L105 PolarHBondContact O-N 3.36Å; Y102-L105 VanDerWaalsContact O-N 3.16Å; R103-L105 PolarHBondContact O-N 2.86Å; L105-K107 HydrophobicContact CB-CB 4.38Å; L105-K107 HydrophobicContact CB-CD 4.46Å; L105-K107 HydrophobicContact CB-CG 4.3Å; L105-K107 PolarHBondContact O-N 3.29Å
106	G	91.6	Very high	82.4	Confident	74 Å²	74	90.8 Å²	90.8	76%	0.763	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	22.4	-172.4	0	0	0	0	0	113.5	Y102 R103	Y102-G106 PolarHBondContact O-N 3.33Å; R103-G106 PolarHBondContact O-N 3.04Å
107	K	89	Confident	79.8	Confident	142 Å²	142	93.2 Å²	93.2	62%	0.617	51%	0.508	S	S	*	.			trans	-113.5	154.8	-177.2	-69.1	-176.6	-179.2	-177.9	0	110.7	Y102 L105	Y102-K107 CarbonylContact C-O 3.3Å; Y102-K107 VanDerWaalsContact C-O 3.3Å; Y102-K107 WeakPolarHBondContact CB-O 3.03Å; Y102-K107 HydrophobicContact CD1-CB 4.32Å; Y102-K107 PolarHBondContact O-N 3.06Å; L105-K107 HydrophobicContact CB-CB 4.38Å; L105-K107 HydrophobicContact CB-CD 4.46Å; L105-K107 HydrophobicContact CB-CG 4.3Å; L105-K107 PolarHBondContact O-N 3.29Å
108	T	83.5	Confident	77	Confident	124 Å²	124	90.8 Å²	90.8	76%	0.761	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-85.9	141.1	164.6	52.4	0	0	0	0	109.2
109	P	81.5	Confident	74	Confident	41 Å²	41	93.4 Å²	93.4	27%	0.266	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-54.3	145.2	169.9	-20.8	29.6	0	0	0	111.4	Y102 E113 L115	Y102-P109 HydrophobicContact CD2-CB 3.58Å; Y102-P109 HydrophobicContact CD2-CG 3.53Å; Y102-P109 HydrophobicContact CE2-CB 3.8Å; Y102-P109 HydrophobicContact CE2-CG 4.27Å; Y102-P109 HydrophobicContact CG-CB 4Å; Y102-P109 HydrophobicContact CG-CG 3.76Å; P109-E113 HydrophobicContact CB-CB 4.24Å; P109-L115 HydrophobicContact CB-CD1 3.3Å; P109-L115 HydrophobicContact CG-CD1 3.27Å
110	P	81.2	Confident	71.3	Confident	48 Å²	48	99.9 Å²	99.9	31%	0.312	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-65.8	154.7	176	27.4	-33.1	0	0	0	111.1	Y102 S112 E113	Y102-P110 WeakPolarHBondContact OH-CD 3.44Å; P110-S112 PolarHBondContact O-N 3.42Å; P110-E113 HydrophobicContact CG-CG 3.77Å; P110-E113 WeakPolarHBondContact O-CB 3.33Å; P110-E113 PolarHBondContact O-N 3.23Å
111	P	73.5	Confident	68.5	Low	140 Å²	140	101.9 Å²	101.9	91%	0.909	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-21.6	-178.9	-24.9	33.8	0	0	0	115	E113	P111-E113 VanDerWaalsContact C-N 3.28Å; P111-E113 PolarHBondContact O-N 3.05Å
112	S	67.6	Low	65.6	Low	108 Å²	108	103.7 Å²	103.7	76%	0.755	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-18.1	177.7	57.6	0	0	0	0	113.9	P110 D114	P110-S112 PolarHBondContact O-N 3.42Å; S112-D114 PolarHBondContact O-N 2.87Å
113	E	66.7	Low	62.7	Low	43 Å²	43	107.6 Å²	107.6	20%	0.201	61%	0.609	C	S	.	*	S	Bend	trans	-79.2	112.4	171.9	-69.4	-75.4	176.3	0	0	107.3	R98 Y102 P109 P110 P111 L115	R98-E113 WeakPolarHBondContact CD-OE2 3Å; R98-E113 IonicContact CZ-OE2 3.4Å; R98-E113 IonicContact NE-OE2 3.55Å; R98-E113 IonicContact NH1-OE1 3.64Å; R98-E113 IonicContact NH1-OE2 3.88Å; R98-E113 PolarHBondContact NH1-OE2 3.27Å; Y102-E113 HydrophobicContact CE2-CG 4.35Å; P109-E113 HydrophobicContact CB-CB 4.24Å; P110-E113 HydrophobicContact CG-CG 3.77Å; P110-E113 WeakPolarHBondContact O-CB 3.33Å; P110-E113 PolarHBondContact O-N 3.23Å; P111-E113 VanDerWaalsContact C-N 3.28Å; P111-E113 PolarHBondContact O-N 3.05Å; E113-L115 HydrophobicContact CB-CD1 4.02Å; E113-L115 HydrophobicContact CB-CG 4.06Å; E113-L115 PolarHBondContact O-N 2.9Å
114	D	60.1	Low	60	Low	107 Å²	107	104.1 Å²	104.1	57%	0.572	61%	0.613	S	S	*	*			trans	-66.7	70.4	-179.6	-174.3	28.9	0	0	0	111.5	K91 S112	K91-D114 IonicContact NZ-OD2 2.83Å; S112-D114 PolarHBondContact O-N 2.87Å
115	L	57	Low	57.2	Low	30 Å²	30	109 Å²	109	16%	0.157	62%	0.622	C	S	.	*			trans	-103.8	10.1	174.8	-57.6	176	0	0	0	110	R95 E99 P109 E113 K117	R95-L115 HydrophobicContact CB-CD2 3.94Å; R95-L115 HydrophobicContact CG-CD2 3.43Å; R95-L115 VanDerWaalsContact CG-CD2 3.43Å; R95-L115 VanDerWaalsContact CZ-O 3.28Å; R95-L115 PolarHBondContact NH1-O 2.99Å; R95-L115 PolarHBondContact NH2-O 3.42Å; E99-L115 HydrophobicContact CG-CD1 4.06Å; E99-L115 HydrophobicContact CG-CD2 4.07Å; P109-L115 HydrophobicContact CB-CD1 3.3Å; P109-L115 HydrophobicContact CG-CD1 3.27Å; E113-L115 HydrophobicContact CB-CD1 4.02Å; E113-L115 HydrophobicContact CB-CG 4.06Å; E113-L115 PolarHBondContact O-N 2.9Å; L115-K117 PolarHBondContact O-N 2.88Å
116	G	42.3	Very low	54.5	Low	54 Å²	54	113.4 Å²	113.4	56%	0.557	64%	0.64	S	S	*	*	S	Bend	trans	-77.4	104	177.7	0	0	0	0	0	111.8	E118	G116-E118 PolarHBondContact O-N 3.28Å
117	K	38.2	Very low	51.6	Low	174 Å²	174	116.9 Å²	116.9	76%	0.757	64%	0.641	S	S	*	*			trans	6.4	101.7	165.9	-57.1	176.8	179.3	177.6	0	116.6	L115 T119	L115-K117 PolarHBondContact O-N 2.88Å; K117-T119 VanDerWaalsContact CB-OG1 3.29Å; K117-T119 WeakPolarHBondContact CB-OG1 3.2Å; K117-T119 PolarHBondContact O-N 3.33Å; K117-T119 PolarHBondContact O-OG1 2.94Å
118	E	36.4	Very low	49.4	Very low	116 Å²	116	118.2 Å²	118.2	54%	0.542	65%	0.653	S	S	.	*			trans	-65.1	82.5	152.6	-72.4	178.7	175.3	0	0	107.4	K91 G116 H120	K91-E118 IonicContact NZ-OE1 3.49Å; K91-E118 PolarHBondContact NZ-OE1 3.48Å; G116-E118 PolarHBondContact O-N 3.28Å; E118-H120 PolarHBondContact O-N 3.47Å
119	T	30.5	Very low	47	Very low	98 Å²	98	118.7 Å²	118.7	60%	0.601	66%	0.656	S	S	*	*			trans	-87	96.6	177.1	-37.5	0	0	0	0	107.4	K117 V121	K117-T119 VanDerWaalsContact CB-OG1 3.29Å; K117-T119 WeakPolarHBondContact CB-OG1 3.2Å; K117-T119 PolarHBondContact O-N 3.33Å; K117-T119 PolarHBondContact O-OG1 2.94Å; T119-V121 HydrophobicContact CG2-CB 4.47Å; T119-V121 HydrophobicContact CG2-CG2 4.16Å; T119-V121 PolarHBondContact O-N 2.86Å
120	H	34.8	Very low	44.7	Very low	193 Å²	193	120.8 Å²	120.8	89%	0.894	69%	0.685	S	S	*	*			trans	-63	71.6	162.6	-115.1	-89.4	0	0	0	110.2	E118	E118-H120 PolarHBondContact O-N 3.47Å
121	V	35.1	Very low	42.5	Very low	121 Å²	121	122.2 Å²	122.2	73%	0.733	71%	0.708	S	S	*	*			trans	-148.8	119.5	167.7	-171.1	0	0	0	0	112.4	T119	T119-V121 HydrophobicContact CG2-CB 4.47Å; T119-V121 HydrophobicContact CG2-CG2 4.16Å; T119-V121 PolarHBondContact O-N 2.86Å
122	L	34.5	Very low	40.6	Very low	154 Å²	154	122.2 Å²	122.2	81%	0.806	71%	0.706	S	S	*	*			trans	-53.3	141.7	166.2	-68.5	146.7	0	0	0	112.5
123	V	31.4	Very low	39.4	Very low	126 Å²	126	122.3 Å²	122.3	76%	0.764	70%	0.704	S	S	*	*			trans	70	102.7	146.3	179.8	0	0	0	0	117.1
124	S	36.9	Very low	38.1	Very low	109 Å²	109	124.6 Å²	124.6	76%	0.762	72%	0.724	S	S	*	*				161.2	129	113.4	-67.4	0	0	0	0	111.3
125	K	34.9	Very low	36.9	Very low	196 Å²	196	127.5 Å²	127.5	85%	0.852	74%	0.74	S	S	*	*			trans	-55.6	144.4	167.4	-70	169.6	171.4	176.9	0	110.3
126	E	37.7	Very low	36.3	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	77%	0.77	S	S	*	*				-176.8	124.1	118.8	-97.7	167.5	-164.4	0	0	111.6
127	N	31	Very low	35.9	Very low	148 Å²	148	137.7 Å²	137.7	79%	0.791	79%	0.79	S	S	*	*			trans	17.5	130.6	151.4	-64.8	-20.5	0	0	0	119.7
128	I	41.9	Very low	35.8	Very low	169 Å²	169	131.7 Å²	131.7	87%	0.867	78%	0.779	S	S	*	*				-159.6	131.4	113.8	-89.3	143.1	0	0	0	109.7
129	T	34.1	Very low	36.1	Very low	135 Å²	135	135.2 Å²	135.2	83%	0.828	80%	0.8	S	S	*	*			trans	-65.6	149.6	176.4	46.2	0	0	0	0	114.1
130	G	32.5	Very low	36.6	Very low	85 Å²	85	135.9 Å²	135.9	88%	0.876	80%	0.804	S	S	*	*			trans	131.7	121.1	141.2	0	0	0	0	0	116.5
131	G	34.8	Very low	37.3	Very low	77 Å²	77	130.1 Å²	130.1	79%	0.794	79%	0.785	S	S	*	*			trans	123.1	93.1	151.6	0	0	0	0	0	115.7
132	V	35.1	Very low	38.1	Very low	141 Å²	141	131 Å²	131	86%	0.855	79%	0.786	S	S	*	*			trans	-84.3	135	159.1	178.6	0	0	0	0	108.1
133	P	42.3	Very low	39.2	Very low	110 Å²	110	130.1 Å²	130.1	71%	0.714	78%	0.776	S	S	*	*			trans	-135.1	118.3	131.2	10	12.9	0	0	0	110.7
134	S	39	Very low	40.8	Very low	90 Å²	90	125.7 Å²	125.7	63%	0.629	75%	0.748	S	S	*	*				71.7	102.2	96	69	0	0	0	0	114.4
135	D	35	Very low	42.4	Very low	169 Å²	169	124.9 Å²	124.9	90%	0.904	74%	0.74	S	S	*	*			trans	27.7	104.2	144.6	-56.1	-23.7	0	0	0	118.2
136	S	43	Very low	44.6	Very low	114 Å²	114	116.6 Å²	116.6	80%	0.797	71%	0.705	S	S	*	*			trans	-141.7	115.9	147.5	48.6	0	0	0	0	108.9	G138	S136-G138 PolarHBondContact O-N 3.22Å; S136-G138 VanDerWaalsContact O-N 3.09Å
137	D	35.1	Very low	46.4	Very low	183 Å²	183	110.8 Å²	110.8	98%	0.979	68%	0.676	S	S	*	*			trans	-52.7	110.2	170.6	-87	-37.7	0	0	0	109.9
138	G	36.8	Very low	48.9	Very low	49 Å²	49	107.7 Å²	107.7	51%	0.505	66%	0.656	S	S	.	*			trans	-156.2	133.5	173.7	0	0	0	0	0	108	S136 T140	S136-G138 PolarHBondContact O-N 3.22Å; S136-G138 VanDerWaalsContact O-N 3.09Å; G138-T140 PolarHBondContact O-N 3.49Å
139	L	41.8	Very low	50.7	Low	189 Å²	189	108.9 Å²	108.9	99%	0.99	65%	0.65	S	S	*	*			trans	-58.6	73.8	175.3	-87.2	73.4	0	0	0	110.7	S141	L139-S141 PolarHBondContact O-N 3.34Å; L139-S141 VanDerWaalsContact O-N 3.13Å
140	T	41.1	Very low	53.1	Low	113 Å²	113	110.2 Å²	110.2	69%	0.693	64%	0.644	S	S	*	*			trans	-75.6	102.3	165.4	55.4	0	0	0	0	105.3	G138 N142	G138-T140 PolarHBondContact O-N 3.49Å; T140-N142 VanDerWaalsContact C-N 3.33Å; T140-N142 PolarHBondContact O-N 3.33Å
141	S	49.5	Very low	55.8	Low	71 Å²	71	107.8 Å²	107.8	50%	0.497	61%	0.611	S	S	.	*			trans	-55	103.8	170.7	86.5	0	0	0	0	106.6	R77 L139 F143	R77-S141 PolarHBondContact NH2-OG 2.99Å; L139-S141 PolarHBondContact O-N 3.34Å; L139-S141 VanDerWaalsContact O-N 3.13Å; S141-F143 PolarHBondContact O-N 2.92Å
142	N	52.5	Low	58.5	Low	139 Å²	139	108.2 Å²	108.2	74%	0.743	59%	0.592	S	S	*	*			trans	-57	107.9	173.4	-79.2	-27.4	0	0	0	106.1	R77 T140 D144	R77-N142 PolarHBondContact NH2-O 3.47Å; T140-N142 VanDerWaalsContact C-N 3.33Å; T140-N142 PolarHBondContact O-N 3.33Å; N142-D144 PolarHBondContact O-N 3.35Å
143	F	56	Low	61.2	Low	136 Å²	136	103.6 Å²	103.6	60%	0.596	56%	0.562	S	S	*	*			trans	-59.8	108.2	165.7	-145.8	-87.8	0	0	0	103.7	S141 P145	S141-F143 PolarHBondContact O-N 2.92Å; F143-P145 VanDerWaalsContact C-CD 3.47Å; F143-P145 HydrophobicContact CD1-CB 4.47Å; F143-P145 WeakPolarHBondContact O-CD 3.09Å
144	D	65.1	Low	63.7	Low	34 Å²	34	98.5 Å²	98.5	18%	0.182	53%	0.529	C	S	.	.			trans	-94	90.4	170.4	-176.8	-3	0	0	0	106.5	N142 D146 Y147 H148	N142-D144 PolarHBondContact O-N 3.35Å; D144-D146 PolarHBondContact O-N 3.14Å; D144-D146 VanDerWaalsContact O-N 3.11Å; D144-D146 PolarHBondContact OD1-N 3.22Å; D144-D146 VanDerWaalsContact OD1-N 3.11Å; D144-D146 VanDerWaalsContact OD1-OD1 3.07Å; D144-Y147 PolarHBondContact O-N 3.15Å; D144-H148 WeakPolarHBondContact OD2-CA 3.47Å; D144-H148 IonicContact OD2-CE1 2.82Å; D144-H148 IonicContact OD2-CG 3.39Å; D144-H148 PolarHBondContact OD2-N 3.27Å; D144-H148 IonicContact OD2-ND1 3.86Å; D144-H148 PolarHBondContact OD2-ND1 2.81Å
145	P	70.2	Confident	66.3	Low	91 Å²	91	98.1 Å²	98.1	59%	0.591	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.4	-177.2	30	-37.5	0	0	0	112.3	F143	F143-P145 VanDerWaalsContact C-CD 3.47Å; F143-P145 HydrophobicContact CD1-CB 4.47Å; F143-P145 WeakPolarHBondContact O-CD 3.09Å
146	D	82.4	Confident	69.3	Low	23 Å²	23	90.1 Å²	90.1	12%	0.123	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	1.8	179.2	72.1	60.5	0	0	0	114.3	D144 H148 R149 K150	D144-D146 PolarHBondContact O-N 3.14Å; D144-D146 VanDerWaalsContact O-N 3.11Å; D144-D146 PolarHBondContact OD1-N 3.22Å; D144-D146 VanDerWaalsContact OD1-N 3.11Å; D144-D146 VanDerWaalsContact OD1-OD1 3.07Å; D146-H148 VanDerWaalsContact C-N 3.31Å; D146-H148 PolarHBondContact O-N 3.22Å; D146-H148 PolarHBondContact OD1-N 3.44Å; D146-R149 HydrophobicContact CB-CB 4.36Å; D146-R149 WeakPolarHBondContact O-CB 3.46Å; D146-R149 WeakPolarHBondContact O-CD 3.41Å; D146-R149 WeakPolarHBondContact O-CG 3.26Å; D146-R149 PolarHBondContact O-N 3.16Å; D146-R149 PolarHBondContact OD1-N 3.09Å; D146-K150 HydrophobicContact CB-CG 4.11Å; D146-K150 PolarHBondContact OD1-N 3.02Å; D146-K150 WeakPolarHBondContact OD2-CB 3.44Å; D146-K150 WeakPolarHBondContact OD2-CD 3.41Å; D146-K150 WeakPolarHBondContact OD2-CE 3.32Å; D146-K150 WeakPolarHBondContact OD2-CG 3.48Å; D146-K150 IonicContact OD2-NZ 2.73Å; D146-K150 PolarHBondContact OD2-NZ 2.93Å
147	Y	75.9	Confident	71.8	Confident	60 Å²	60	86.6 Å²	86.6	24%	0.235	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	43.5	175.8	-60.3	-77.4	0	0	0	112.6	R77 T78 D81 D144 R149	R77-Y147 HydrophobicContact CB-CE1 4.01Å; R77-Y147 PolarHBondContact O-OH 3.14Å; T78-Y147 HydrophobicContact CG2-CE1 4.34Å; T78-Y147 WeakPolarHBondContact OG1-CD1 3.5Å; T78-Y147 WeakPolarHBondContact OG1-CE1 3.34Å; D81-Y147 PolarHBondContact OD2-OH 3.06Å; D144-Y147 PolarHBondContact O-N 3.15Å; Y147-R149 PolarHBondContact O-N 3.42Å; Y147-R149 VanDerWaalsContact O-N 3.13Å
148	H	82.9	Confident	74.7	Confident	83 Å²	83	77.9 Å²	77.9	38%	0.384	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	16.9	-176.8	-53.6	-39.5	0	0	0	114	D144 D146 K150 D151 Q153	D144-H148 WeakPolarHBondContact OD2-CA 3.47Å; D144-H148 IonicContact OD2-CE1 2.82Å; D144-H148 IonicContact OD2-CG 3.39Å; D144-H148 PolarHBondContact OD2-N 3.27Å; D144-H148 IonicContact OD2-ND1 3.86Å; D144-H148 PolarHBondContact OD2-ND1 2.81Å; D146-H148 VanDerWaalsContact C-N 3.31Å; D146-H148 PolarHBondContact O-N 3.22Å; D146-H148 PolarHBondContact OD1-N 3.44Å; H148-K150 VanDerWaalsContact C-N 3.26Å; H148-K150 PolarHBondContact O-N 3.08Å; H148-D151 HydrophobicContact CB-CB 4.34Å; H148-D151 VanDerWaalsContact CB-OD2 3.24Å; H148-D151 WeakPolarHBondContact CB-OD2 3.18Å; H148-D151 IonicContact CG-OD2 2.72Å; H148-D151 IonicContact ND1-OD2 2.66Å; H148-D151 PolarHBondContact ND1-OD2 2.86Å; H148-D151 WeakPolarHBondContact O-CB 3.04Å; H148-D151 PolarHBondContact O-N 3.37Å; H148-Q153 PolarHBondContact O-NE2 2.92Å
149	R	80.1	Confident	77.5	Confident	195 Å²	195	78.6 Å²	78.6	74%	0.736	39%	0.391	S	S	*	.	S	Bend	trans	-71.4	-25	175.5	-70.3	171.4	-179.1	161.1	-0.4	111.7	D146 Y147	D146-R149 HydrophobicContact CB-CB 4.36Å; D146-R149 WeakPolarHBondContact O-CB 3.46Å; D146-R149 WeakPolarHBondContact O-CD 3.41Å; D146-R149 WeakPolarHBondContact O-CG 3.26Å; D146-R149 PolarHBondContact O-N 3.16Å; D146-R149 PolarHBondContact OD1-N 3.09Å; Y147-R149 PolarHBondContact O-N 3.42Å; Y147-R149 VanDerWaalsContact O-N 3.13Å
150	K	84.6	Confident	80	Confident	162 Å²	162	71.8 Å²	71.8	70%	0.704	36%	0.358	S	S	*	.	S	Bend	trans	-93.3	-4.7	173.7	-62.8	-168.1	-149.9	104	0	114	D146 H148	D146-K150 HydrophobicContact CB-CG 4.11Å; D146-K150 PolarHBondContact OD1-N 3.02Å; D146-K150 WeakPolarHBondContact OD2-CB 3.44Å; D146-K150 WeakPolarHBondContact OD2-CD 3.41Å; D146-K150 WeakPolarHBondContact OD2-CE 3.32Å; D146-K150 WeakPolarHBondContact OD2-CG 3.48Å; D146-K150 IonicContact OD2-NZ 2.73Å; D146-K150 PolarHBondContact OD2-NZ 2.93Å; H148-K150 VanDerWaalsContact C-N 3.26Å; H148-K150 PolarHBondContact O-N 3.08Å
151	D	88.1	Confident	82.4	Confident	35 Å²	35	67.7 Å²	67.7	19%	0.187	34%	0.338	C	S	.	.	S	Bend	trans	-57.9	156.3	170	-76.5	-10.5	0	0	0	110.2	H148 Q153 S176 R178	H148-D151 HydrophobicContact CB-CB 4.34Å; H148-D151 VanDerWaalsContact CB-OD2 3.24Å; H148-D151 WeakPolarHBondContact CB-OD2 3.18Å; H148-D151 IonicContact CG-OD2 2.72Å; H148-D151 IonicContact ND1-OD2 2.66Å; H148-D151 PolarHBondContact ND1-OD2 2.86Å; H148-D151 WeakPolarHBondContact O-CB 3.04Å; H148-D151 PolarHBondContact O-N 3.37Å; D151-Q153 WeakPolarHBondContact O-CG 2.99Å; D151-Q153 PolarHBondContact O-N 2.83Å; D151-Q153 VanDerWaalsContact O-N 3.17Å; D151-Q153 PolarHBondContact O-NE2 2.94Å; D151-S176 WeakPolarHBondContact CB-OG 3.41Å; D151-S176 PolarHBondContact OD2-OG 3.43Å; D151-R178 WeakPolarHBondContact OD2-CD 3.38Å
152	E	91.1	Very high	83.8	Confident	85 Å²	85	66 Å²	66	40%	0.397	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-53.3	124	163.1	178.2	-176	-179.8	0	0	108.3	S177 K222 R225	E152-S177 WeakPolarHBondContact O-CB 3.3Å; E152-S177 PolarHBondContact O-N 3.39Å; E152-S177 PolarHBondContact O-OG 2.94Å; E152-K222 WeakPolarHBondContact OE2-CE 3.36Å; E152-K222 IonicContact OE2-NZ 3.49Å; E152-K222 PolarHBondContact OE2-NZ 3.36Å; E152-R225 IonicContact OE1-NH1 3.47Å; E152-R225 PolarHBondContact OE1-NH1 3.31Å
153	Q	93	Very high	84.7	Confident	44 Å²	44	67.6 Å²	67.6	21%	0.206	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145.1	-176.7	-58.3	-62.9	-57	0	0	110.5	H148 D151 R174 L175	H148-Q153 PolarHBondContact O-NE2 2.92Å; D151-Q153 WeakPolarHBondContact O-CG 2.99Å; D151-Q153 PolarHBondContact O-N 2.83Å; D151-Q153 VanDerWaalsContact O-N 3.17Å; D151-Q153 PolarHBondContact O-NE2 2.94Å; Q153-R174 HydrophobicContact CB-CG 4.08Å; Q153-R174 HydrophobicContact CG-CG 4.5Å; Q153-L175 WeakPolarHBondContact CA-O 3.38Å; Q153-L175 PolarHBondContact OE1-O 3.02Å
154	V	93.4	Very high	86	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.024	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.2	168.9	-65.8	0	0	0	0	109.4	R174 L175 L221 M235	V154-R174 WeakPolarHBondContact O-CA 3.2Å; V154-L175 HydrophobicContact CG2-CD2 4.01Å; V154-L175 HydrophobicContact CG2-CG 4.17Å; V154-L175 WeakPolarHBondContact CG2-O 3.35Å; V154-L175 PolarHBondContact N-O 3.36Å; V154-L175 PolarHBondContact O-N 3.43Å; V154-L175 VanDerWaalsContact O-N 3.13Å; V154-L221 HydrophobicContact CG2-CB 3.83Å; V154-L221 HydrophobicContact CG2-CD1 3.76Å; V154-L221 HydrophobicContact CG2-CG 4.47Å; V154-M235 HydrophobicContact CB-CE 4.32Å; V154-M235 HydrophobicContact CG2-CE 4.49Å
155	N	95.3	Very high	87.1	Confident	81 Å²	81	66.6 Å²	66.6	43%	0.433	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.4	172.5	-56.5	-44.4	0	0	0	107.9	L173 R174 P234 M235	N155-L173 WeakPolarHBondContact CA-O 3.49Å; N155-R174 WeakPolarHBondContact OD1-CG 3.31Å; N155-P234 HydrophobicContact CB-CB 4.21Å; N155-P234 HydrophobicContact CB-CG 4.37Å; N155-P234 WeakPolarHBondContact O-CA 3.49Å; N155-M235 PolarHBondContact O-N 3.43Å
156	I	96.5	Very high	88.1	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.8	177.8	66.6	173.1	0	0	0	109.8	Y172 L173 L175 L184 M235 L237	I156-Y172 WeakPolarHBondContact O-CA 3.5Å; I156-L173 HydrophobicContact CD1-CB 4.08Å; I156-L173 HydrophobicContact CD1-CD1 4.01Å; I156-L173 HydrophobicContact CG1-CB 3.71Å; I156-L173 HydrophobicContact CG1-CD1 4.41Å; I156-L173 HydrophobicContact CG1-CG 4.43Å; I156-L173 PolarHBondContact N-O 3Å; I156-L173 PolarHBondContact O-N 2.79Å; I156-L175 HydrophobicContact CD1-CD2 3.88Å; I156-L175 HydrophobicContact CG1-CD2 3.85Å; I156-L175 HydrophobicContact CG2-CD2 4.31Å; I156-L184 HydrophobicContact CD1-CD1 3.79Å; I156-L184 HydrophobicContact CD1-CD2 3.46Å; I156-L184 VanDerWaalsContact CD1-CD2 3.46Å; I156-L184 HydrophobicContact CD1-CG 4.29Å; I156-M235 WeakPolarHBondContact CA-O 3.2Å; I156-M235 HydrophobicContact CG2-CB 4.15Å; I156-M235 HydrophobicContact CG2-CE 3.46Å; I156-M235 VanDerWaalsContact CG2-CE 3.46Å; I156-L237 HydrophobicContact CB-CD1 4.08Å; I156-L237 HydrophobicContact CB-CG 4.47Å; I156-L237 HydrophobicContact CD1-CD1 3.99Å; I156-L237 HydrophobicContact CG2-CD1 4.04Å
157	Q	96.7	Very high	88.7	Confident	40 Å²	40	71.9 Å²	71.9	19%	0.187	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.1	166	177.6	177.1	-4.3	0	0	107.1	E159 K171 Y172 P234 M235 L237	Q157-E159 HydrophobicContact CG-CG 4.16Å; Q157-E159 VanDerWaalsContact NE2-CD 3.32Å; Q157-E159 PolarHBondContact NE2-OE1 2.99Å; Q157-K171 CarbonylContact C-O 3.49Å; Q157-K171 WeakPolarHBondContact CA-O 3.29Å; Q157-Y172 HydrophobicContact CB-CD1 3.9Å; Q157-Y172 HydrophobicContact CB-CE1 3.68Å; Q157-Y172 HydrophobicContact CG-CD1 4.18Å; Q157-Y172 HydrophobicContact CG-CE1 3.67Å; Q157-Y172 PolarHBondContact NE2-OH 3.28Å; Q157-P234 HydrophobicContact CB-CB 4.29Å; Q157-M235 PolarHBondContact N-O 3.27Å; Q157-L237 WeakPolarHBondContact O-CA 3.48Å; Q157-L237 PolarHBondContact O-N 3.18Å
158	L	96.3	Very high	89.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.1	-173.4	-170.2	58.5	0	0	0	110.2	L168 K171 L173 Y187 V188 I204 L237 Y239	L158-L168 HydrophobicContact CB-CD1 3.96Å; L158-L168 HydrophobicContact CD2-CD1 3.63Å; L158-L168 HydrophobicContact CG-CD1 3.72Å; L158-K171 PolarHBondContact N-O 3.28Å; L158-K171 WeakPolarHBondContact O-CB 3.34Å; L158-L173 HydrophobicContact CD2-CD1 4.17Å; L158-Y187 HydrophobicContact CD2-CD1 4.43Å; L158-V188 HydrophobicContact CD2-CG2 3.58Å; L158-V188 HydrophobicContact CG-CG2 4.34Å; L158-I204 HydrophobicContact CD1-CD1 4.41Å; L158-L237 WeakPolarHBondContact CA-O 3.47Å; L158-L237 HydrophobicContact CD1-CB 3.65Å; L158-Y239 HydrophobicContact CD1-CD1 3.8Å; L158-Y239 HydrophobicContact CG-CD1 3.7Å; L158-Y239 HydrophobicContact CG-CE1 4.12Å
159	E	95	Very high	89.9	Confident	65 Å²	65	72.1 Å²	72.1	30%	0.304	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.8	-173.9	-69.3	-169.7	161.8	0	0	112.6	Q157 G161 K171 L237 Q238 Y239	Q157-E159 HydrophobicContact CG-CG 4.16Å; Q157-E159 VanDerWaalsContact NE2-CD 3.32Å; Q157-E159 PolarHBondContact NE2-OE1 2.99Å; E159-G161 PolarHBondContact O-N 3.34Å; E159-K171 HydrophobicContact CG-CD 4.34Å; E159-K171 WeakPolarHBondContact OE1-CD 3.5Å; E159-K171 IonicContact OE1-NZ 2.81Å; E159-K171 PolarHBondContact OE1-NZ 3.26Å; E159-L237 PolarHBondContact N-O 2.9Å; E159-Q238 CarbonylContact O-C 3.5Å; E159-Q238 WeakPolarHBondContact O-CA 3.47Å; E159-Y239 WeakPolarHBondContact O-CD1 3.45Å; E159-Y239 WeakPolarHBondContact O-CE1 3.38Å; E159-Y239 PolarHBondContact O-N 2.94Å
160	P	95	Very high	90.5	Very high	45 Å²	45	68.6 Å²	68.6	29%	0.292	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.2	176.1	27.7	-32.4	0	0	0	109.7	L165 P167 Y239	P160-L165 HydrophobicContact CB-CB 4.17Å; P160-P167 HydrophobicContact CG-CB 4.18Å; P160-Y239 HydrophobicContact CB-CE1 4.35Å; P160-Y239 HydrophobicContact CB-CE2 4.01Å; P160-Y239 VanDerWaalsContact N-CE1 3.32Å
161	G	90.2	Very high	90.9	Very high	27 Å²	27	64.4 Å²	64.4	28%	0.278	35%	0.347	S	S	.	.			trans	-106.1	8.2	174.1	0	0	0	0	0	113.5	E159 Y239	E159-G161 PolarHBondContact O-N 3.34Å; G161-Y239 PolarHBondContact N-O 2.99Å
162	S	79.1	Confident	91.3	Very high	36 Å²	36	68.7 Å²	68.7	25%	0.252	36%	0.362	S	S	.	.	S	Bend	trans	-133.2	137.1	176.9	-58.1	0	0	0	0	109.2	N164 L165 R240	S162-N164 PolarHBondContact O-N 2.66Å; S162-L165 PolarHBondContact O-N 3.4Å; S162-L165 VanDerWaalsContact O-N 3.14Å; S162-R240 WeakPolarHBondContact OG-CB 3.39Å
163	D	70.9	Confident	91.5	Very high	172 Å²	172	66.2 Å²	66.2	92%	0.92	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.8	-171.9	-58.1	-30.9	0	0	0	114.5
164	N	83.4	Confident	91.5	Very high	138 Å²	138	73 Å²	73	74%	0.738	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	5.3	-176	-60.4	-29.2	0	0	0	114.1	S162 Y241	S162-N164 PolarHBondContact O-N 2.66Å; N164-Y241 HydrophobicContact CB-CE2 4.31Å
165	L	89.7	Confident	91.5	Very high	11 Å²	11	74.4 Å²	74.4	6%	0.058	38%	0.382	C	S	.	.	S	Bend	trans	-104.3	126.2	177.4	-75.5	166.9	0	0	0	109.8	P160 S162 V192 L193 I202 Y239 Y241	P160-L165 HydrophobicContact CB-CB 4.17Å; S162-L165 PolarHBondContact O-N 3.4Å; S162-L165 VanDerWaalsContact O-N 3.14Å; L165-V192 HydrophobicContact CB-CG1 4.48Å; L165-V192 HydrophobicContact CD2-CG1 3.84Å; L165-L193 HydrophobicContact CD2-CD2 4.03Å; L165-I202 HydrophobicContact CD1-CD1 4.46Å; L165-I202 HydrophobicContact CD2-CD1 4.21Å; L165-Y239 HydrophobicContact CB-CD2 4.45Å; L165-Y239 HydrophobicContact CB-CE2 3.93Å; L165-Y239 HydrophobicContact CD1-CD2 3.85Å; L165-Y239 HydrophobicContact CD1-CE2 4.18Å; L165-Y239 HydrophobicContact CG-CE2 4.48Å; L165-Y241 HydrophobicContact CD1-CD2 3.97Å; L165-Y241 HydrophobicContact CD1-CE2 4.18Å; L165-Y241 HydrophobicContact CD1-CG 4.35Å; L165-Y241 HydrophobicContact CD2-CD2 4.06Å; L165-Y241 HydrophobicContact CD2-CE1 3.99Å; L165-Y241 HydrophobicContact CD2-CE2 3.46Å; L165-Y241 VanDerWaalsContact CD2-CE2 3.46Å; L165-Y241 VanDerWaalsContact CD2-CZ 3.42Å; L165-Y241 HydrophobicContact CG-CD2 3.8Å; L165-Y241 HydrophobicContact CG-CE2 3.51Å
166	E	91.6	Very high	91.5	Very high	129 Å²	129	71.2 Å²	71.2	60%	0.603	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-65.6	140	176.6	-62.2	-171.6	167.3	0	0	110.7	V192 Y239	E166-V192 HydrophobicContact CB-CG1 4.29Å; E166-Y239 PolarHBondContact O-OH 2.82Å
167	P	93.2	Very high	91.4	Very high	96 Å²	96	71.4 Å²	71.4	62%	0.623	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-64.3	147.4	176.1	27.8	-34.1	0	0	0	111.3	P160 Y239	P160-P167 HydrophobicContact CG-CB 4.18Å; P167-Y239 WeakPolarHBondContact CA-OH 3.37Å
168	L	93.4	Very high	91.2	Very high	16 Å²	16	77.1 Å²	77.1	8%	0.084	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-68.8	138.3	172.3	-68.4	167.1	0	0	0	109.7	L158 E170 Y187 V188 Q191 V192 Y239	L158-L168 HydrophobicContact CB-CD1 3.96Å; L158-L168 HydrophobicContact CD2-CD1 3.63Å; L158-L168 HydrophobicContact CG-CD1 3.72Å; L168-E170 VanDerWaalsContact C-N 3.27Å; L168-E170 PolarHBondContact O-N 2.72Å; L168-Y187 HydrophobicContact CD1-CE1 4.03Å; L168-Y187 HydrophobicContact CD2-CE1 4.1Å; L168-V188 HydrophobicContact CD1-CG2 4.49Å; L168-Q191 HydrophobicContact CD2-CB 3.53Å; L168-Q191 HydrophobicContact CD2-CG 4.16Å; L168-V192 HydrophobicContact CD2-CG2 3.64Å; L168-V192 HydrophobicContact CG-CG2 4.29Å; L168-Y239 HydrophobicContact CD1-CE1 3.92Å; L168-Y239 HydrophobicContact CG-CE1 4.09Å; L168-Y239 PolarHBondContact N-OH 2.77Å
169	T	91.6	Very high	91.2	Very high	132 Å²	132	77.9 Å²	77.9	81%	0.81	39%	0.394	S	S	*	.	S	Bend	trans	-55.8	-45.9	170.7	-49.7	0	0	0	0	111
170	E	91.7	Very high	91.2	Very high	122 Å²	122	76 Å²	76	57%	0.57	39%	0.387	S	S	*	.			trans	-111	91.7	178.1	-62.5	-58.7	154	0	0	110	L168	L168-E170 VanDerWaalsContact C-N 3.27Å; L168-E170 PolarHBondContact O-N 2.72Å
171	K	93.8	Very high	91.3	Very high	74 Å²	74	74 Å²	74	32%	0.322	37%	0.373	S	S	.	.			trans	-78.2	-21.3	-178.7	70.4	-177.2	-169.6	168.2	0	114	Q157 L158 E159	Q157-K171 CarbonylContact C-O 3.49Å; Q157-K171 WeakPolarHBondContact CA-O 3.29Å; L158-K171 PolarHBondContact N-O 3.28Å; L158-K171 WeakPolarHBondContact O-CB 3.34Å; E159-K171 HydrophobicContact CG-CD 4.34Å; E159-K171 WeakPolarHBondContact OE1-CD 3.5Å; E159-K171 IonicContact OE1-NZ 2.81Å; E159-K171 PolarHBondContact OE1-NZ 3.26Å
172	Y	96.2	Very high	91.6	Very high	125 Å²	125	73.2 Å²	73.2	49%	0.49	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.1	178.2	-66.1	-77.7	0	0	0	110.1	I156 Q157 P234	I156-Y172 WeakPolarHBondContact O-CA 3.5Å; Q157-Y172 HydrophobicContact CB-CD1 3.9Å; Q157-Y172 HydrophobicContact CB-CE1 3.68Å; Q157-Y172 HydrophobicContact CG-CD1 4.18Å; Q157-Y172 HydrophobicContact CG-CE1 3.67Å; Q157-Y172 PolarHBondContact NE2-OH 3.28Å; Y172-P234 HydrophobicContact CD1-CB 4.43Å; Y172-P234 HydrophobicContact CD1-CG 4.29Å; Y172-P234 HydrophobicContact CE1-CG 4.32Å
173	L	94.8	Very high	92.4	Very high	32 Å²	32	76.5 Å²	76.5	17%	0.168	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.7	-178.6	-54.3	171.3	0	0	0	109.9	N155 I156 L158 L175 Y187	N155-L173 WeakPolarHBondContact CA-O 3.49Å; I156-L173 HydrophobicContact CD1-CB 4.08Å; I156-L173 HydrophobicContact CD1-CD1 4.01Å; I156-L173 HydrophobicContact CG1-CB 3.71Å; I156-L173 HydrophobicContact CG1-CD1 4.41Å; I156-L173 HydrophobicContact CG1-CG 4.43Å; I156-L173 PolarHBondContact N-O 3Å; I156-L173 PolarHBondContact O-N 2.79Å; L158-L173 HydrophobicContact CD2-CD1 4.17Å; L173-L175 HydrophobicContact CB-CD2 4.15Å; L173-Y187 HydrophobicContact CD1-CD1 3.85Å; L173-Y187 HydrophobicContact CD1-CE1 3.57Å; L173-Y187 HydrophobicContact CD2-CE1 4.09Å; L173-Y187 HydrophobicContact CG-CE1 4.43Å
174	R	94.1	Very high	93.7	Very high	186 Å²	186	68.5 Å²	68.5	70%	0.702	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.1	167.9	-177.4	173.9	-179.2	-177.2	1.4	108.8	Q153 V154 N155	Q153-R174 HydrophobicContact CB-CG 4.08Å; Q153-R174 HydrophobicContact CG-CG 4.5Å; V154-R174 WeakPolarHBondContact O-CA 3.2Å; N155-R174 WeakPolarHBondContact OD1-CG 3.31Å
175	L	93.3	Very high	94.3	Very high	34 Å²	34	63 Å²	63	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.5	-172.7	63	173.4	0	0	0	111.5	Q153 V154 I156 L173 S177 A179 L184 L221	Q153-L175 WeakPolarHBondContact CA-O 3.38Å; Q153-L175 PolarHBondContact OE1-O 3.02Å; V154-L175 HydrophobicContact CG2-CD2 4.01Å; V154-L175 HydrophobicContact CG2-CG 4.17Å; V154-L175 WeakPolarHBondContact CG2-O 3.35Å; V154-L175 PolarHBondContact N-O 3.36Å; V154-L175 PolarHBondContact O-N 3.43Å; V154-L175 VanDerWaalsContact O-N 3.13Å; I156-L175 HydrophobicContact CD1-CD2 3.88Å; I156-L175 HydrophobicContact CG1-CD2 3.85Å; I156-L175 HydrophobicContact CG2-CD2 4.31Å; L173-L175 HydrophobicContact CB-CD2 4.15Å; L175-S177 PolarHBondContact O-N 2.58Å; L175-A179 HydrophobicContact CD1-CB 3.79Å; L175-A179 HydrophobicContact CG-CB 4.34Å; L175-L184 HydrophobicContact CD1-CD2 3.77Å; L175-L221 HydrophobicContact CD1-CD1 3.54Å; L175-L221 HydrophobicContact CD2-CD1 4.03Å; L175-L221 HydrophobicContact CG-CD1 3.76Å
176	S	94.7	Very high	94.6	Very high	14 Å²	14	62.9 Å²	62.9	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	134.8	176.2	170.7	0	0	0	0	110.3	D151 R178 A179	D151-S176 WeakPolarHBondContact CB-OG 3.41Å; D151-S176 PolarHBondContact OD2-OG 3.43Å; S176-R178 PolarHBondContact O-N 2.75Å; S176-R178 WeakPolarHBondContact OG-CB 3.48Å; S176-R178 PolarHBondContact OG-N 3.48Å; S176-R178 VanDerWaalsContact OG-N 3.08Å; S176-A179 VanDerWaalsContact O-CB 3.25Å; S176-A179 WeakPolarHBondContact O-CB 3.33Å; S176-A179 PolarHBondContact O-N 3.37Å
177	S	94.1	Very high	94.8	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.042	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.5	172	63.7	0	0	0	0	112.9	E152 L175 V220 L221 K222	E152-S177 WeakPolarHBondContact O-CB 3.3Å; E152-S177 PolarHBondContact O-N 3.39Å; E152-S177 PolarHBondContact O-OG 2.94Å; L175-S177 PolarHBondContact O-N 2.58Å; S177-V220 WeakPolarHBondContact O-CG1 3.38Å; S177-L221 PolarHBondContact O-N 2.73Å; S177-K222 WeakPolarHBondContact O-CB 3.4Å; S177-K222 PolarHBondContact O-N 2.93Å
178	R	93.8	Very high	94.9	Very high	160 Å²	160	55.5 Å²	55.5	60%	0.604	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.4	175	-56.7	178.1	69.3	-174.8	-1.6	113.8	D151 S176	D151-R178 WeakPolarHBondContact OD2-CD 3.38Å; S176-R178 PolarHBondContact O-N 2.75Å; S176-R178 WeakPolarHBondContact OG-CB 3.48Å; S176-R178 PolarHBondContact OG-N 3.48Å; S176-R178 VanDerWaalsContact OG-N 3.08Å
179	A	94.8	Very high	95	Very high	16 Å²	16	54.8 Å²	54.8	13%	0.132	25%	0.25	C	S	.	.			trans	-58.1	150.3	171.9	0	0	0	0	0	109.9	L175 S176 V220 L221	L175-A179 HydrophobicContact CD1-CB 3.79Å; L175-A179 HydrophobicContact CG-CB 4.34Å; S176-A179 VanDerWaalsContact O-CB 3.25Å; S176-A179 WeakPolarHBondContact O-CB 3.33Å; S176-A179 PolarHBondContact O-N 3.37Å; A179-V220 CarbonylContact O-C 3.59Å; A179-V220 WeakPolarHBondContact O-CA 3.49Å; A179-L221 HydrophobicContact CB-CD1 4.02Å; A179-L221 HydrophobicContact CB-CG 4.38Å; A179-L221 WeakPolarHBondContact O-CG 3.37Å; A179-L221 PolarHBondContact O-N 2.97Å
180	T	96.5	Very high	95.2	Very high	26 Å²	26	52.5 Å²	52.5	16%	0.16	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-110	164.4	178.8	69.7	0	0	0	0	111.3	T182 H183 L184 H219 V220	T180-T182 PolarHBondContact O-N 3.45Å; T180-T182 PolarHBondContact OG1-N 3.4Å; T180-H183 PolarHBondContact N-ND1 2.85Å; T180-H183 VanDerWaalsContact O-CB 3.31Å; T180-H183 WeakPolarHBondContact O-CB 3.26Å; T180-H183 PolarHBondContact O-N 3.12Å; T180-H183 PolarHBondContact OG1-CE1 3.49Å; T180-H183 PolarHBondContact OG1-ND1 2.92Å; T180-L184 PolarHBondContact O-N 3.32Å; T180-H219 CarbonylContact C-O 3.59Å; T180-H219 WeakPolarHBondContact CA-O 3.15Å; T180-H219 WeakPolarHBondContact CB-O 3.16Å; T180-V220 HydrophobicContact CG2-CG2 4.12Å
181	V	96.6	Very high	95.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-54.7	-37.3	172.1	172.7	0	0	0	0	111.3	H183 L184 R185 I204 L215 G216 H219 V224	V181-H183 VanDerWaalsContact C-N 3.27Å; V181-H183 PolarHBondContact O-N 3.05Å; V181-L184 WeakPolarHBondContact O-CB 3.42Å; V181-L184 PolarHBondContact O-N 2.78Å; V181-R185 HydrophobicContact CG1-CG 4.26Å; V181-R185 WeakPolarHBondContact O-CG 3.42Å; V181-R185 PolarHBondContact O-N 3.18Å; V181-I204 HydrophobicContact CG1-CB 3.82Å; V181-I204 HydrophobicContact CG1-CG1 3.8Å; V181-L215 HydrophobicContact CG1-CB 4.3Å; V181-L215 HydrophobicContact CG2-CB 3.72Å; V181-L215 HydrophobicContact CG2-CD1 4.15Å; V181-G216 WeakPolarHBondContact CB-O 3.46Å; V181-H219 HydrophobicContact CG2-CB 3.88Å; V181-H219 PolarHBondContact N-O 3.41Å; V181-V224 HydrophobicContact CG2-CG2 4.35Å
182	T	96.6	Very high	95.3	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-36.3	173.2	-57.6	0	0	0	0	113	T180 L184 R185 K186 F199 R217	T180-T182 PolarHBondContact O-N 3.45Å; T180-T182 PolarHBondContact OG1-N 3.4Å; T182-L184 VanDerWaalsContact C-N 3.33Å; T182-R185 PolarHBondContact O-N 2.97Å; T182-K186 HydrophobicContact CG2-CD 4.27Å; T182-K186 WeakPolarHBondContact O-CB 3.46Å; T182-K186 WeakPolarHBondContact O-CG 3.43Å; T182-K186 PolarHBondContact O-N 3.27Å; T182-F199 HydrophobicContact CG2-CD2 4.21Å; T182-F199 HydrophobicContact CG2-CE2 4.08Å; T182-R217 PolarHBondContact N-O 3.02Å; T182-R217 WeakPolarHBondContact OG1-CB 3.27Å; T182-R217 PolarHBondContact OG1-O 2.93Å
183	H	96	Very high	95.1	Very high	105 Å²	105	43.5 Å²	43.5	49%	0.486	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-41	175.1	-62.9	88.8	0	0	0	111.1	T180 V181 K186 Y187	T180-H183 PolarHBondContact N-ND1 2.85Å; T180-H183 VanDerWaalsContact O-CB 3.31Å; T180-H183 WeakPolarHBondContact O-CB 3.26Å; T180-H183 PolarHBondContact O-N 3.12Å; T180-H183 PolarHBondContact OG1-CE1 3.49Å; T180-H183 PolarHBondContact OG1-ND1 2.92Å; V181-H183 VanDerWaalsContact C-N 3.27Å; V181-H183 PolarHBondContact O-N 3.05Å; H183-K186 PolarHBondContact O-N 2.9Å; H183-Y187 WeakPolarHBondContact O-CB 3.19Å; H183-Y187 PolarHBondContact O-N 3.39Å
184	L	96.7	Very high	95.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-44.3	174.7	-62.6	-175.9	0	0	0	112.1	I156 L175 T180 V181 T182 K186 Y187 V188 I204 L221 L237	I156-L184 HydrophobicContact CD1-CD1 3.79Å; I156-L184 HydrophobicContact CD1-CD2 3.46Å; I156-L184 VanDerWaalsContact CD1-CD2 3.46Å; I156-L184 HydrophobicContact CD1-CG 4.29Å; L175-L184 HydrophobicContact CD1-CD2 3.77Å; T180-L184 PolarHBondContact O-N 3.32Å; V181-L184 WeakPolarHBondContact O-CB 3.42Å; V181-L184 PolarHBondContact O-N 2.78Å; T182-L184 VanDerWaalsContact C-N 3.33Å; L184-K186 VanDerWaalsContact C-N 3.29Å; L184-K186 PolarHBondContact O-N 2.8Å; L184-Y187 WeakPolarHBondContact O-CB 3.41Å; L184-Y187 PolarHBondContact O-N 2.95Å; L184-V188 WeakPolarHBondContact O-CG2 3.18Å; L184-V188 PolarHBondContact O-N 3.4Å; L184-I204 HydrophobicContact CB-CD1 4.48Å; L184-I204 HydrophobicContact CB-CG1 4.36Å; L184-L221 HydrophobicContact CD1-CD1 4.33Å; L184-L221 HydrophobicContact CD1-CD2 3.8Å; L184-L237 HydrophobicContact CD1-CD1 3.51Å
185	R	96.2	Very high	95	Very high	22 Å²	22	42.5 Å²	42.5	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-56.1	-44.8	176.1	-68	172.7	67.1	157.5	25.9	111.6	V181 T182 V188 A189 F199 H200 I202 D203 I204	V181-R185 HydrophobicContact CG1-CG 4.26Å; V181-R185 WeakPolarHBondContact O-CG 3.42Å; V181-R185 PolarHBondContact O-N 3.18Å; T182-R185 PolarHBondContact O-N 2.97Å; R185-V188 PolarHBondContact O-N 3.29Å; R185-A189 WeakPolarHBondContact O-CB 3.25Å; R185-A189 PolarHBondContact O-N 3.11Å; R185-F199 HydrophobicContact CB-CB 4.26Å; R185-F199 PolarHBondContact NE-O 3.32Å; R185-F199 PolarHBondContact NH2-O 3.07Å; R185-H200 PolarHBondContact NH2-O 2.91Å; R185-I202 WeakPolarHBondContact CD-O 3.24Å; R185-I202 HydrophobicContact CG-CG2 4.49Å; R185-I202 WeakPolarHBondContact CG-O 3.38Å; R185-I202 PolarHBondContact NE-O 3.03Å; R185-I202 PolarHBondContact NH2-O 2.82Å; R185-D203 IonicContact CZ-OD1 3.36Å; R185-D203 IonicContact NH2-OD1 3.74Å; R185-D203 PolarHBondContact NH2-OD1 2.63Å; R185-I204 HydrophobicContact CG-CD1 4.36Å; R185-I204 HydrophobicContact CG-CG1 3.78Å
186	K	95.9	Very high	95	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-43.7	177.3	-74.7	175.1	179.9	140.8	0	112.4	T36 E37 L39 T182 H183 L184 A189 Q190 I196 F199	T36-K186 VanDerWaalsContact C-NZ 3.28Å; T36-K186 WeakPolarHBondContact O-CE 3.16Å; T36-K186 PolarHBondContact O-NZ 2.93Å; E37-K186 VanDerWaalsContact C-CE 3.49Å; E37-K186 WeakPolarHBondContact O-CE 3.01Å; E37-K186 IonicContact OE1-NZ 3.14Å; L39-K186 HydrophobicContact CD1-CD 4.45Å; L39-K186 HydrophobicContact CD2-CD 4.26Å; L39-K186 HydrophobicContact CG-CD 4.14Å; T182-K186 HydrophobicContact CG2-CD 4.27Å; T182-K186 WeakPolarHBondContact O-CB 3.46Å; T182-K186 WeakPolarHBondContact O-CG 3.43Å; T182-K186 PolarHBondContact O-N 3.27Å; H183-K186 PolarHBondContact O-N 2.9Å; L184-K186 VanDerWaalsContact C-N 3.29Å; L184-K186 PolarHBondContact O-N 2.8Å; K186-A189 PolarHBondContact O-N 3.25Å; K186-Q190 WeakPolarHBondContact O-CB 3.37Å; K186-Q190 PolarHBondContact O-N 3.07Å; K186-I196 HydrophobicContact CB-CD1 4.03Å; K186-I196 HydrophobicContact CB-CG1 3.96Å; K186-I196 HydrophobicContact CG-CD1 4.5Å; K186-I196 HydrophobicContact CG-CG1 4.17Å; K186-F199 HydrophobicContact CB-CB 4.37Å; K186-F199 HydrophobicContact CG-CB 3.67Å; K186-F199 HydrophobicContact CG-CD1 4.31Å; K186-F199 HydrophobicContact CG-CD2 4.09Å; K186-F199 HydrophobicContact CG-CG 3.75Å
187	Y	95.9	Very high	94.9	Very high	70 Å²	70	42.4 Å²	42.4	28%	0.275	20%	0.2	S	C	.	.	H	α-helix	trans	-58.1	-49.8	174.6	175.4	-103.9	0	0	0	111.2	L158 L168 L173 H183 L184 A189 Q190 Q191	L158-Y187 HydrophobicContact CD2-CD1 4.43Å; L168-Y187 HydrophobicContact CD1-CE1 4.03Å; L168-Y187 HydrophobicContact CD2-CE1 4.1Å; L173-Y187 HydrophobicContact CD1-CD1 3.85Å; L173-Y187 HydrophobicContact CD1-CE1 3.57Å; L173-Y187 HydrophobicContact CD2-CE1 4.09Å; L173-Y187 HydrophobicContact CG-CE1 4.43Å; H183-Y187 WeakPolarHBondContact O-CB 3.19Å; H183-Y187 PolarHBondContact O-N 3.39Å; L184-Y187 WeakPolarHBondContact O-CB 3.41Å; L184-Y187 PolarHBondContact O-N 2.95Å; Y187-A189 PolarHBondContact O-N 2.88Å; Y187-Q190 PolarHBondContact O-N 3.35Å; Y187-Q191 HydrophobicContact CD2-CG 4.04Å; Y187-Q191 HydrophobicContact CE1-CG 4.16Å; Y187-Q191 HydrophobicContact CE2-CG 3.65Å; Y187-Q191 HydrophobicContact CG-CG 4.47Å; Y187-Q191 WeakPolarHBondContact O-CB 3.42Å; Y187-Q191 VanDerWaalsContact O-CG 3.3Å; Y187-Q191 WeakPolarHBondContact O-CG 3.37Å; Y187-Q191 PolarHBondContact O-N 2.83Å
188	V	95.7	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-47.8	177.3	173.5	0	0	0	0	111.5	L158 L168 L184 R185 Q190 Q191 V192 I202 I204 Y239	L158-V188 HydrophobicContact CD2-CG2 3.58Å; L158-V188 HydrophobicContact CG-CG2 4.34Å; L168-V188 HydrophobicContact CD1-CG2 4.49Å; L184-V188 WeakPolarHBondContact O-CG2 3.18Å; L184-V188 PolarHBondContact O-N 3.4Å; R185-V188 PolarHBondContact O-N 3.29Å; V188-Q190 VanDerWaalsContact C-N 3.31Å; V188-Q190 PolarHBondContact O-N 3.24Å; V188-Q191 PolarHBondContact O-N 3.36Å; V188-V192 HydrophobicContact CG1-CB 4.36Å; V188-V192 HydrophobicContact CG1-CG2 4.05Å; V188-V192 WeakPolarHBondContact O-CB 3.31Å; V188-V192 PolarHBondContact O-N 3.03Å; V188-I202 HydrophobicContact CB-CG2 4.14Å; V188-I202 HydrophobicContact CG1-CD1 4.06Å; V188-I202 HydrophobicContact CG1-CG1 4.05Å; V188-I202 HydrophobicContact CG1-CG2 3.87Å; V188-I204 HydrophobicContact CG2-CD1 4.45Å; V188-Y239 HydrophobicContact CG1-CD1 4.46Å; V188-Y239 HydrophobicContact CG1-CD2 3.36Å; V188-Y239 HydrophobicContact CG1-CE2 3.86Å; V188-Y239 HydrophobicContact CG1-CG 3.72Å; V188-Y239 HydrophobicContact CG2-CD1 4.16Å; V188-Y239 HydrophobicContact CG2-CD2 4.45Å; V188-Y239 HydrophobicContact CG2-CG 4Å
189	A	95.1	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-39.7	179.8	0	0	0	0	0	112.5	R185 K186 Y187 L193 H194 D195 F199 I202	R185-A189 WeakPolarHBondContact O-CB 3.25Å; R185-A189 PolarHBondContact O-N 3.11Å; K186-A189 PolarHBondContact O-N 3.25Å; Y187-A189 PolarHBondContact O-N 2.88Å; A189-L193 HydrophobicContact CB-CD1 4.49Å; A189-L193 CarbonylContact O-C 3.56Å; A189-L193 WeakPolarHBondContact O-CA 3.1Å; A189-L193 WeakPolarHBondContact O-CB 3.21Å; A189-L193 PolarHBondContact O-N 3.13Å; A189-H194 PolarHBondContact O-N 3.22Å; A189-H194 VanDerWaalsContact O-N 3.12Å; A189-D195 PolarHBondContact O-N 3.07Å; A189-F199 HydrophobicContact CB-CB 4.06Å; A189-I202 HydrophobicContact CB-CG1 4.46Å
190	Q	95.5	Very high	94.7	Very high	84 Å²	84	42.4 Å²	42.4	39%	0.393	20%	0.202	S	C	.	.	H	α-helix	trans	-67.2	-38.8	175.4	-176.6	58.8	44.3	0	0	112.7	K186 Y187 V188 H194 I196	K186-Q190 WeakPolarHBondContact O-CB 3.37Å; K186-Q190 PolarHBondContact O-N 3.07Å; Y187-Q190 PolarHBondContact O-N 3.35Å; V188-Q190 VanDerWaalsContact C-N 3.31Å; V188-Q190 PolarHBondContact O-N 3.24Å; Q190-H194 WeakPolarHBondContact O-CA 3.02Å; Q190-I196 HydrophobicContact CB-CB 4.24Å; Q190-I196 HydrophobicContact CB-CD1 4.49Å
191	Q	94.7	Very high	94.6	Very high	89 Å²	89	44.4 Å²	44.4	42%	0.416	21%	0.21	S	C	.	.	H	α-helix	trans	-83	-39.3	-175.9	-66.7	-57.3	-52.9	0	0	113.4	L168 Y187 V188 H194	L168-Q191 HydrophobicContact CD2-CB 3.53Å; L168-Q191 HydrophobicContact CD2-CG 4.16Å; Y187-Q191 HydrophobicContact CD2-CG 4.04Å; Y187-Q191 HydrophobicContact CE1-CG 4.16Å; Y187-Q191 HydrophobicContact CE2-CG 3.65Å; Y187-Q191 HydrophobicContact CG-CG 4.47Å; Y187-Q191 WeakPolarHBondContact O-CB 3.42Å; Y187-Q191 VanDerWaalsContact O-CG 3.3Å; Y187-Q191 WeakPolarHBondContact O-CG 3.37Å; Y187-Q191 PolarHBondContact O-N 2.83Å; V188-Q191 PolarHBondContact O-N 3.36Å; Q191-H194 PolarHBondContact O-CE1 3.42Å
192	V	93.8	Very high	94.5	Very high	15 Å²	15	44.3 Å²	44.3	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-101.2	-38.9	-171.4	-177.8	0	0	0	0	112.3	L165 E166 L168 V188 Y239	L165-V192 HydrophobicContact CB-CG1 4.48Å; L165-V192 HydrophobicContact CD2-CG1 3.84Å; E166-V192 HydrophobicContact CB-CG1 4.29Å; L168-V192 HydrophobicContact CD2-CG2 3.64Å; L168-V192 HydrophobicContact CG-CG2 4.29Å; V188-V192 HydrophobicContact CG1-CB 4.36Å; V188-V192 HydrophobicContact CG1-CG2 4.05Å; V188-V192 WeakPolarHBondContact O-CB 3.31Å; V188-V192 PolarHBondContact O-N 3.03Å; V192-Y239 HydrophobicContact CG1-CE2 4.49Å; V192-Y239 HydrophobicContact CG2-CE2 4.02Å
193	L	92.7	Very high	94.4	Very high	28 Å²	28	44.8 Å²	44.8	15%	0.147	21%	0.211	C	C	.	.	S	Bend	trans	-97.4	-4.2	-179.7	-52.9	-177.6	0	0	0	112.9	L165 A189 D195 K198 I202 Y241	L165-L193 HydrophobicContact CD2-CD2 4.03Å; A189-L193 HydrophobicContact CB-CD1 4.49Å; A189-L193 CarbonylContact O-C 3.56Å; A189-L193 WeakPolarHBondContact O-CA 3.1Å; A189-L193 WeakPolarHBondContact O-CB 3.21Å; A189-L193 PolarHBondContact O-N 3.13Å; L193-D195 PolarHBondContact O-N 3.11Å; L193-K198 HydrophobicContact CD1-CB 3.83Å; L193-K198 HydrophobicContact CD1-CD 4.38Å; L193-I202 HydrophobicContact CD1-CD1 3.95Å; L193-I202 HydrophobicContact CD1-CG1 4.1Å; L193-I202 HydrophobicContact CG-CD1 4.43Å; L193-Y241 HydrophobicContact CD1-CE1 4.47Å; L193-Y241 HydrophobicContact CD2-CE1 4.03Å; L193-Y241 WeakPolarHBondContact CD2-OH 3.5Å
194	H	93.5	Very high	94.4	Very high	141 Å²	141	39.8 Å²	39.8	65%	0.653	19%	0.188	S	C	*	.	S	Bend	trans	52.4	24.1	-174.3	-52.5	-53.5	0	0	0	114.2	A189 Q190 Q191	A189-H194 PolarHBondContact O-N 3.22Å; A189-H194 VanDerWaalsContact O-N 3.12Å; Q190-H194 WeakPolarHBondContact O-CA 3.02Å; Q191-H194 PolarHBondContact O-CE1 3.42Å
195	D	92.4	Very high	94.4	Very high	56 Å²	56	41.3 Å²	41.3	30%	0.299	20%	0.195	S	C	.	.			trans	-151.9	101.2	-178	-176.2	-7.8	0	0	0	109.6	A189 L193 S197 K198	A189-D195 PolarHBondContact O-N 3.07Å; L193-D195 PolarHBondContact O-N 3.11Å; D195-S197 VanDerWaalsContact CG-OG 3.26Å; D195-S197 PolarHBondContact O-N 2.92Å; D195-S197 VanDerWaalsContact O-N 3.16Å; D195-S197 VanDerWaalsContact OD1-CB 3.29Å; D195-S197 WeakPolarHBondContact OD1-CB 3.32Å; D195-S197 PolarHBondContact OD1-N 2.85Å; D195-S197 PolarHBondContact OD1-OG 3.2Å; D195-S197 PolarHBondContact OD2-OG 2.96Å; D195-K198 HydrophobicContact CB-CD 4.09Å; D195-K198 HydrophobicContact CB-CG 4.12Å; D195-K198 WeakPolarHBondContact O-CB 3.49Å; D195-K198 PolarHBondContact O-N 3.14Å; D195-K198 VanDerWaalsContact O-N 3.14Å; D195-K198 WeakPolarHBondContact OD2-CE 3.38Å
196	I	94.1	Very high	94.4	Very high	20 Å²	20	40.3 Å²	40.3	10%	0.103	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.4	-24.9	179.3	-165.5	159.5	0	0	0	113.6	C38 L39 K186 Q190 K198 F199	C38-I196 WeakPolarHBondContact O-CG2 3.27Å; L39-I196 HydrophobicContact CB-CD1 3.84Å; L39-I196 HydrophobicContact CD1-CD1 3.32Å; L39-I196 HydrophobicContact CG-CD1 3.57Å; K186-I196 HydrophobicContact CB-CD1 4.03Å; K186-I196 HydrophobicContact CB-CG1 3.96Å; K186-I196 HydrophobicContact CG-CD1 4.5Å; K186-I196 HydrophobicContact CG-CG1 4.17Å; Q190-I196 HydrophobicContact CB-CB 4.24Å; Q190-I196 HydrophobicContact CB-CD1 4.49Å; I196-K198 PolarHBondContact O-N 2.97Å; I196-F199 WeakPolarHBondContact O-CB 3.48Å; I196-F199 WeakPolarHBondContact O-CD1 3.29Å; I196-F199 PolarHBondContact O-N 2.79Å
197	S	92.3	Very high	94.3	Very high	27 Å²	27	42 Å²	42	19%	0.189	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-67	-22.5	-179.5	74.5	0	0	0	0	112.2	D195 F199 H200	D195-S197 VanDerWaalsContact CG-OG 3.26Å; D195-S197 PolarHBondContact O-N 2.92Å; D195-S197 VanDerWaalsContact O-N 3.16Å; D195-S197 VanDerWaalsContact OD1-CB 3.29Å; D195-S197 WeakPolarHBondContact OD1-CB 3.32Å; D195-S197 PolarHBondContact OD1-N 2.85Å; D195-S197 PolarHBondContact OD1-OG 3.2Å; D195-S197 PolarHBondContact OD2-OG 2.96Å; S197-F199 WeakPolarHBondContact O-CD1 3.35Å; S197-F199 PolarHBondContact O-N 2.88Å; S197-H200 PolarHBondContact O-CD2 3.47Å; S197-H200 VanDerWaalsContact O-CD2 3.23Å; S197-H200 PolarHBondContact O-NE2 3.2Å
198	K	92.8	Very high	94	Very high	76 Å²	76	41.6 Å²	41.6	33%	0.33	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-81.1	13.1	175.8	-61.4	-175	-179	-179.1	0	114.4	L193 D195 I196 H200 E201	L193-K198 HydrophobicContact CD1-CB 3.83Å; L193-K198 HydrophobicContact CD1-CD 4.38Å; D195-K198 HydrophobicContact CB-CD 4.09Å; D195-K198 HydrophobicContact CB-CG 4.12Å; D195-K198 WeakPolarHBondContact O-CB 3.49Å; D195-K198 PolarHBondContact O-N 3.14Å; D195-K198 VanDerWaalsContact O-N 3.14Å; D195-K198 WeakPolarHBondContact OD2-CE 3.38Å; I196-K198 PolarHBondContact O-N 2.97Å; K198-H200 PolarHBondContact O-N 3.32Å; K198-E201 HydrophobicContact CB-CG 4.21Å; K198-E201 WeakPolarHBondContact O-CB 3Å; K198-E201 PolarHBondContact O-N 2.92Å
199	F	93.9	Very high	93.8	Very high	12 Å²	12	45.5 Å²	45.5	5%	0.053	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57	-24.4	177.5	77	-80.3	0	0	0	113.8	E37 I62 T182 R185 K186 A189 I196 S197 E201 I202	E37-F199 HydrophobicContact CB-CZ 4.44Å; E37-F199 WeakPolarHBondContact O-CD1 3.46Å; E37-F199 WeakPolarHBondContact O-CE1 3.45Å; E37-F199 WeakPolarHBondContact O-CZ 3.49Å; E37-F199 WeakPolarHBondContact OE2-CZ 3.2Å; I62-F199 HydrophobicContact CD1-CE1 3.87Å; I62-F199 HydrophobicContact CD1-CZ 4.44Å; T182-F199 HydrophobicContact CG2-CD2 4.21Å; T182-F199 HydrophobicContact CG2-CE2 4.08Å; R185-F199 HydrophobicContact CB-CB 4.26Å; R185-F199 PolarHBondContact NE-O 3.32Å; R185-F199 PolarHBondContact NH2-O 3.07Å; K186-F199 HydrophobicContact CB-CB 4.37Å; K186-F199 HydrophobicContact CG-CB 3.67Å; K186-F199 HydrophobicContact CG-CD1 4.31Å; K186-F199 HydrophobicContact CG-CD2 4.09Å; K186-F199 HydrophobicContact CG-CG 3.75Å; A189-F199 HydrophobicContact CB-CB 4.06Å; I196-F199 WeakPolarHBondContact O-CB 3.48Å; I196-F199 WeakPolarHBondContact O-CD1 3.29Å; I196-F199 PolarHBondContact O-N 2.79Å; S197-F199 WeakPolarHBondContact O-CD1 3.35Å; S197-F199 PolarHBondContact O-N 2.88Å; F199-E201 PolarHBondContact O-N 3.48Å; F199-I202 PolarHBondContact O-N 3.08Å
200	H	92.8	Very high	93.5	Very high	94 Å²	94	54.9 Å²	54.9	44%	0.435	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-68.7	-20.4	174.3	61.5	70	0	0	0	113.2	R185 S197 K198 I202	R185-H200 PolarHBondContact NH2-O 2.91Å; S197-H200 PolarHBondContact O-CD2 3.47Å; S197-H200 VanDerWaalsContact O-CD2 3.23Å; S197-H200 PolarHBondContact O-NE2 3.2Å; K198-H200 PolarHBondContact O-N 3.32Å; H200-I202 VanDerWaalsContact C-N 3.27Å
201	E	92.6	Very high	93	Very high	67 Å²	67	56.9 Å²	56.9	31%	0.313	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-81.5	-6.7	176.1	-54.2	-177.2	-173.4	0	0	112.5	K198 F199 Y241 S242	K198-E201 HydrophobicContact CB-CG 4.21Å; K198-E201 WeakPolarHBondContact O-CB 3Å; K198-E201 PolarHBondContact O-N 2.92Å; F199-E201 PolarHBondContact O-N 3.48Å; E201-Y241 CarbonylContact O-C 3.5Å; E201-Y241 VanDerWaalsContact O-CA 3.31Å; E201-Y241 WeakPolarHBondContact O-CA 3.35Å; E201-S242 PolarHBondContact O-N 3.37Å
202	I	94.7	Very high	92.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	-178.5	-60.7	-60.2	0	0	0	109.9	L165 R185 V188 A189 L193 F199 H200 I204 R240	L165-I202 HydrophobicContact CD1-CD1 4.46Å; L165-I202 HydrophobicContact CD2-CD1 4.21Å; R185-I202 WeakPolarHBondContact CD-O 3.24Å; R185-I202 HydrophobicContact CG-CG2 4.49Å; R185-I202 WeakPolarHBondContact CG-O 3.38Å; R185-I202 PolarHBondContact NE-O 3.03Å; R185-I202 PolarHBondContact NH2-O 2.82Å; V188-I202 HydrophobicContact CB-CG2 4.14Å; V188-I202 HydrophobicContact CG1-CD1 4.06Å; V188-I202 HydrophobicContact CG1-CG1 4.05Å; V188-I202 HydrophobicContact CG1-CG2 3.87Å; A189-I202 HydrophobicContact CB-CG1 4.46Å; L193-I202 HydrophobicContact CD1-CD1 3.95Å; L193-I202 HydrophobicContact CD1-CG1 4.1Å; L193-I202 HydrophobicContact CG-CD1 4.43Å; F199-I202 PolarHBondContact O-N 3.08Å; H200-I202 VanDerWaalsContact C-N 3.27Å; I202-I204 HydrophobicContact CG2-CD1 3.95Å; I202-R240 WeakPolarHBondContact CA-O 3.05Å
203	D	95.1	Very high	92.9	Very high	20 Å²	20	54 Å²	54	11%	0.107	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.8	169.1	-73.9	-29.5	0	0	0	110.5	R185 F205 F214 Y239 R240 S242	R185-D203 IonicContact CZ-OD1 3.36Å; R185-D203 IonicContact NH2-OD1 3.74Å; R185-D203 PolarHBondContact NH2-OD1 2.63Å; D203-F205 HydrophobicContact CB-CE2 3.76Å; D203-F205 HydrophobicContact CB-CZ 4.49Å; D203-F214 HydrophobicContact CB-CD2 4.29Å; D203-F214 HydrophobicContact CB-CE2 3.85Å; D203-Y239 VanDerWaalsContact O-CA 3.32Å; D203-Y239 WeakPolarHBondContact O-CA 3.42Å; D203-R240 PolarHBondContact N-O 2.79Å; D203-R240 PolarHBondContact O-N 3.38Å; D203-S242 WeakPolarHBondContact OD2-CA 3.37Å; D203-S242 WeakPolarHBondContact OD2-CB 3.3Å; D203-S242 PolarHBondContact OD2-OG 3.5Å
204	I	96.5	Very high	93	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.2	-179.6	-51.2	-61.4	0	0	0	109.4	L158 V181 L184 R185 V188 I202 L215 L237 Q238	L158-I204 HydrophobicContact CD1-CD1 4.41Å; V181-I204 HydrophobicContact CG1-CB 3.82Å; V181-I204 HydrophobicContact CG1-CG1 3.8Å; L184-I204 HydrophobicContact CB-CD1 4.48Å; L184-I204 HydrophobicContact CB-CG1 4.36Å; R185-I204 HydrophobicContact CG-CD1 4.36Å; R185-I204 HydrophobicContact CG-CG1 3.78Å; V188-I204 HydrophobicContact CG2-CD1 4.45Å; I202-I204 HydrophobicContact CG2-CD1 3.95Å; I204-L215 HydrophobicContact CG2-CD1 4.06Å; I204-L215 WeakPolarHBondContact O-CB 3.46Å; I204-L215 PolarHBondContact O-N 2.79Å; I204-L237 HydrophobicContact CG2-CB 4.22Å; I204-L237 HydrophobicContact CG2-CD1 4.28Å; I204-Q238 CarbonylContact C-O 3.48Å; I204-Q238 WeakPolarHBondContact CA-O 3.18Å
205	F	96.3	Very high	93.1	Very high	36 Å²	36	50.8 Å²	50.8	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.9	178.1	-66.2	-103.5	0	0	0	109.4	D203 T213 F214 L237 Q238 R240	D203-F205 HydrophobicContact CB-CE2 3.76Å; D203-F205 HydrophobicContact CB-CZ 4.49Å; F205-T213 CarbonylContact C-O 3.42Å; F205-T213 VanDerWaalsContact CA-O 3.23Å; F205-T213 WeakPolarHBondContact CA-O 3.43Å; F205-F214 HydrophobicContact CD1-CB 4.06Å; F205-F214 HydrophobicContact CE1-CB 3.72Å; F205-F214 HydrophobicContact CE1-CD2 4.14Å; F205-F214 HydrophobicContact CE1-CG 4.45Å; F205-F214 HydrophobicContact CE2-CD2 4.25Å; F205-F214 HydrophobicContact CZ-CB 4.31Å; F205-F214 AromaticContact CZ-CD2 3.85Å; F205-F214 HydrophobicContact CZ-CD2 3.85Å; F205-L237 CarbonylContact O-C 3.58Å; F205-L237 VanDerWaalsContact O-CA 3.27Å; F205-L237 WeakPolarHBondContact O-CA 3.03Å; F205-Q238 PolarHBondContact N-O 2.91Å; F205-Q238 PolarHBondContact O-N 2.89Å; F205-R240 HydrophobicContact CD2-CB 4.36Å; F205-R240 HydrophobicContact CD2-CG 4.06Å; F205-R240 HydrophobicContact CE2-CB 4.1Å; F205-R240 HydrophobicContact CE2-CG 4.2Å
206	I	96.2	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.9	166.8	-171.5	163.8	0	0	0	110.1	N208 G212 T213 L215 V224 Y228 W229 L237	I206-N208 VanDerWaalsContact C-N 3.28Å; I206-N208 PolarHBondContact O-N 3.34Å; I206-N208 PolarHBondContact O-OD1 2.72Å; I206-G212 CarbonylContact O-C 3.5Å; I206-G212 WeakPolarHBondContact O-CA 3.19Å; I206-T213 PolarHBondContact N-O 2.93Å; I206-T213 PolarHBondContact O-N 2.91Å; I206-L215 HydrophobicContact CB-CD1 4.26Å; I206-L215 HydrophobicContact CB-CD2 4.24Å; I206-L215 HydrophobicContact CB-CG 4.43Å; I206-L215 HydrophobicContact CG2-CD2 3.78Å; I206-L215 HydrophobicContact CG2-CG 4.39Å; I206-V224 HydrophobicContact CD1-CG1 4Å; I206-Y228 HydrophobicContact CG2-CG 4.07Å; I206-W229 HydrophobicContact CD1-CB 3.73Å; I206-W229 HydrophobicContact CD1-CG 4.46Å; I206-L237 HydrophobicContact CB-CD2 3.8Å; I206-L237 HydrophobicContact CD1-CD2 4.21Å; I206-L237 HydrophobicContact CG1-CD2 3.89Å
207	Q	94	Very high	93	Very high	46 Å²	46	54.9 Å²	54.9	22%	0.215	27%	0.269	C	S	.	.			trans	-82.9	71.9	-178.9	-61.6	-57.6	-65.2	0	0	110.8	P236 Q238	Q207-P236 HydrophobicContact CB-CB 4.09Å; Q207-P236 HydrophobicContact CB-CG 4.1Å; Q207-P236 PolarHBondContact N-O 2.75Å; Q207-Q238 VanDerWaalsContact CD-OE1 3.24Å; Q207-Q238 HydrophobicContact CG-CB 4.35Å; Q207-Q238 HydrophobicContact CG-CG 3.64Å
208	N	90.1	Very high	93.1	Very high	62 Å²	62	58.7 Å²	58.7	33%	0.332	29%	0.287	S	S	.	.	S	Bend	trans	-109	-2.5	176.7	66	-17	0	0	0	113.4	I206 T213	I206-N208 VanDerWaalsContact C-N 3.28Å; I206-N208 PolarHBondContact O-N 3.34Å; I206-N208 PolarHBondContact O-OD1 2.72Å; N208-T213 PolarHBondContact ND2-OG1 2.8Å; N208-T213 WeakPolarHBondContact OD1-CB 3.23Å; N208-T213 PolarHBondContact OD1-N 3.49Å; N208-T213 PolarHBondContact OD1-OG1 2.86Å
209	N	90.7	Very high	93.2	Very high	82 Å²	82	57.5 Å²	57.5	44%	0.439	28%	0.283	S	S	.	.	S	Bend	trans	-152.8	177.2	174.1	60.6	50.1	0	0	0	108.8	D211 G212 T213	N209-D211 VanDerWaalsContact C-N 3.31Å; N209-D211 PolarHBondContact O-N 2.9Å; N209-D211 PolarHBondContact OD1-N 2.88Å; N209-G212 PolarHBondContact O-N 2.86Å; N209-G212 WeakPolarHBondContact OD1-CA 3.33Å; N209-G212 PolarHBondContact OD1-N 3.3Å; N209-T213 PolarHBondContact ND2-OG1 2.88Å; N209-T213 VanDerWaalsContact ND2-OG1 3.14Å
210	E	88	Confident	93.3	Very high	196 Å²	196	59.6 Å²	59.6	92%	0.916	30%	0.297	S	S	*	.	S	Bend	trans	-56.7	-38.3	-173.7	-64.4	-177.9	173	0	0	113.9
211	D	86	Confident	93.4	Very high	126 Å²	126	55.1 Å²	55.1	67%	0.674	28%	0.276	S	S	*	.	S	Bend	trans	-94.2	-16.1	-178.1	-70.2	-44.8	0	0	0	113.7	N209 R240	N209-D211 VanDerWaalsContact C-N 3.31Å; N209-D211 PolarHBondContact O-N 2.9Å; N209-D211 PolarHBondContact OD1-N 2.88Å; D211-R240 VanDerWaalsContact O-CZ 3.28Å; D211-R240 PolarHBondContact O-NH1 2.81Å; D211-R240 PolarHBondContact O-NH2 3.24Å
212	G	91.8	Very high	93.5	Very high	10 Å²	10	56.7 Å²	56.7	10%	0.103	28%	0.282	C	S	.	.			trans	76.9	145.9	-168	0	0	0	0	0	113.5	I206 N209	I206-G212 CarbonylContact O-C 3.5Å; I206-G212 WeakPolarHBondContact O-CA 3.19Å; N209-G212 PolarHBondContact O-N 2.86Å; N209-G212 WeakPolarHBondContact OD1-CA 3.33Å; N209-G212 PolarHBondContact OD1-N 3.3Å
213	T	94.6	Very high	93.5	Very high	34 Å²	34	61.1 Å²	61.1	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.3	175.3	-58.3	0	0	0	0	110.7	F205 I206 N208 N209 Y228	F205-T213 CarbonylContact C-O 3.42Å; F205-T213 VanDerWaalsContact CA-O 3.23Å; F205-T213 WeakPolarHBondContact CA-O 3.43Å; I206-T213 PolarHBondContact N-O 2.93Å; I206-T213 PolarHBondContact O-N 2.91Å; N208-T213 PolarHBondContact ND2-OG1 2.8Å; N208-T213 WeakPolarHBondContact OD1-CB 3.23Å; N208-T213 PolarHBondContact OD1-N 3.49Å; N208-T213 PolarHBondContact OD1-OG1 2.86Å; N209-T213 PolarHBondContact ND2-OG1 2.88Å; N209-T213 VanDerWaalsContact ND2-OG1 3.14Å; T213-Y228 HydrophobicContact CG2-CD1 4.19Å; T213-Y228 HydrophobicContact CG2-CE1 3.74Å
214	F	94.9	Very high	93.5	Very high	99 Å²	99	60.2 Å²	60.2	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134	174.7	174.9	-98	0	0	0	111.7	D203 F205	D203-F214 HydrophobicContact CB-CD2 4.29Å; D203-F214 HydrophobicContact CB-CE2 3.85Å; F205-F214 HydrophobicContact CD1-CB 4.06Å; F205-F214 HydrophobicContact CE1-CB 3.72Å; F205-F214 HydrophobicContact CE1-CD2 4.14Å; F205-F214 HydrophobicContact CE1-CG 4.45Å; F205-F214 HydrophobicContact CE2-CD2 4.25Å; F205-F214 HydrophobicContact CZ-CB 4.31Å; F205-F214 AromaticContact CZ-CD2 3.85Å; F205-F214 HydrophobicContact CZ-CD2 3.85Å
215	L	95.7	Very high	93.4	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.01	31%	0.313	C	S	.	.			trans	-104.6	121	176.8	-56.5	-178.2	0	0	0	110.9	V181 I204 I206 V224 Y228 L237	V181-L215 HydrophobicContact CG1-CB 4.3Å; V181-L215 HydrophobicContact CG2-CB 3.72Å; V181-L215 HydrophobicContact CG2-CD1 4.15Å; I204-L215 HydrophobicContact CG2-CD1 4.06Å; I204-L215 WeakPolarHBondContact O-CB 3.46Å; I204-L215 PolarHBondContact O-N 2.79Å; I206-L215 HydrophobicContact CB-CD1 4.26Å; I206-L215 HydrophobicContact CB-CD2 4.24Å; I206-L215 HydrophobicContact CB-CG 4.43Å; I206-L215 HydrophobicContact CG2-CD2 3.78Å; I206-L215 HydrophobicContact CG2-CG 4.39Å; L215-V224 HydrophobicContact CD1-CG1 3.66Å; L215-V224 HydrophobicContact CD1-CG2 4.1Å; L215-V224 HydrophobicContact CD2-CG1 3.96Å; L215-V224 HydrophobicContact CD2-CG2 4.26Å; L215-V224 HydrophobicContact CG-CG1 4.49Å; L215-Y228 HydrophobicContact CD2-CD2 3.95Å; L215-Y228 HydrophobicContact CD2-CE2 3.94Å; L215-L237 HydrophobicContact CD1-CD2 3.89Å
216	G	92.8	Very high	93.2	Very high	18 Å²	18	67.2 Å²	67.2	19%	0.186	33%	0.331	C	S	.	.			trans	-58.9	140.6	174.7	0	0	0	0	0	111.9	V181 D218 H219	V181-G216 WeakPolarHBondContact CB-O 3.46Å; G216-D218 PolarHBondContact O-N 3.33Å; G216-D218 VanDerWaalsContact O-N 3.09Å; G216-H219 PolarHBondContact N-CE1 2.86Å; G216-H219 PolarHBondContact N-ND1 2.78Å; G216-H219 VanDerWaalsContact O-CB 3.26Å; G216-H219 WeakPolarHBondContact O-CB 3.32Å; G216-H219 PolarHBondContact O-N 3.43Å
217	R	91.6	Very high	93	Very high	145 Å²	145	70.7 Å²	70.7	55%	0.547	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.3	-174.3	73.7	-174.2	178.7	-175.2	-4.2	113.8	T182 H219	T182-R217 PolarHBondContact N-O 3.02Å; T182-R217 WeakPolarHBondContact OG1-CB 3.27Å; T182-R217 PolarHBondContact OG1-O 2.93Å; R217-H219 VanDerWaalsContact C-N 3.35Å
218	D	93.1	Very high	93	Very high	107 Å²	107	71.6 Å²	71.6	57%	0.572	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.3	-176.5	-57.9	-51.8	0	0	0	113	G216 V220	G216-D218 PolarHBondContact O-N 3.33Å; G216-D218 VanDerWaalsContact O-N 3.09Å; D218-V220 PolarHBondContact O-N 3.25Å
219	H	95.6	Very high	93.1	Very high	50 Å²	50	71 Å²	71	23%	0.231	35%	0.347	C	S	.	.			trans	-64.1	125.2	175.2	-68.7	179.9	0	0	0	110.4	T180 V181 G216 R217 F223 V224	T180-H219 CarbonylContact C-O 3.59Å; T180-H219 WeakPolarHBondContact CA-O 3.15Å; T180-H219 WeakPolarHBondContact CB-O 3.16Å; V181-H219 HydrophobicContact CG2-CB 3.88Å; V181-H219 PolarHBondContact N-O 3.41Å; G216-H219 PolarHBondContact N-CE1 2.86Å; G216-H219 PolarHBondContact N-ND1 2.78Å; G216-H219 VanDerWaalsContact O-CB 3.26Å; G216-H219 WeakPolarHBondContact O-CB 3.32Å; G216-H219 PolarHBondContact O-N 3.43Å; R217-H219 VanDerWaalsContact C-N 3.35Å; H219-F223 HydrophobicContact CB-CD1 4.19Å; H219-F223 AromaticContact CE1-CE1 3.86Å; H219-F223 AromaticContact CG-CD1 3.99Å; H219-F223 AromaticContact CG-CE1 3.99Å; H219-F223 AromaticContact ND1-CE1 3.89Å; H219-F223 AromaticContact NE2-CE1 3.97Å; H219-V224 HydrophobicContact CB-CG2 3.82Å
220	V	96.2	Very high	92.8	Very high	57 Å²	57	73.8 Å²	73.8	35%	0.345	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-77.1	141	171.2	179	0	0	0	0	109	S177 A179 T180 D218 K222 F223 V224	S177-V220 WeakPolarHBondContact O-CG1 3.38Å; A179-V220 CarbonylContact O-C 3.59Å; A179-V220 WeakPolarHBondContact O-CA 3.49Å; T180-V220 HydrophobicContact CG2-CG2 4.12Å; D218-V220 PolarHBondContact O-N 3.25Å; V220-K222 HydrophobicContact CG1-CB 4.23Å; V220-K222 PolarHBondContact O-N 2.98Å; V220-F223 WeakPolarHBondContact O-CA 3.39Å; V220-F223 VanDerWaalsContact O-CB 3.29Å; V220-F223 WeakPolarHBondContact O-CB 3.32Å; V220-F223 PolarHBondContact O-N 3.07Å; V220-V224 PolarHBondContact O-N 3.48Å
221	L	95.7	Very high	92.7	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-27.9	-174.3	-65.6	-174.7	0	0	0	113.5	V154 L175 S177 A179 L184 F223 V224 R225 M235	V154-L221 HydrophobicContact CG2-CB 3.83Å; V154-L221 HydrophobicContact CG2-CD1 3.76Å; V154-L221 HydrophobicContact CG2-CG 4.47Å; L175-L221 HydrophobicContact CD1-CD1 3.54Å; L175-L221 HydrophobicContact CD2-CD1 4.03Å; L175-L221 HydrophobicContact CG-CD1 3.76Å; S177-L221 PolarHBondContact O-N 2.73Å; A179-L221 HydrophobicContact CB-CD1 4.02Å; A179-L221 HydrophobicContact CB-CG 4.38Å; A179-L221 WeakPolarHBondContact O-CG 3.37Å; A179-L221 PolarHBondContact O-N 2.97Å; L184-L221 HydrophobicContact CD1-CD1 4.33Å; L184-L221 HydrophobicContact CD1-CD2 3.8Å; L221-F223 VanDerWaalsContact C-N 3.32Å; L221-F223 PolarHBondContact O-N 3.39Å; L221-V224 HydrophobicContact CD2-CG2 4.45Å; L221-V224 PolarHBondContact O-N 2.91Å; L221-R225 WeakPolarHBondContact O-CB 3.43Å; L221-R225 PolarHBondContact O-N 3.47Å; L221-M235 HydrophobicContact CB-CE 4.34Å
222	K	94.1	Very high	92.6	Very high	99 Å²	99	69 Å²	69	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-55.9	-46.6	167.8	-173.4	163.6	-179.5	151.6	0	112.2	E152 S177 V220 R225 V226	E152-K222 WeakPolarHBondContact OE2-CE 3.36Å; E152-K222 IonicContact OE2-NZ 3.49Å; E152-K222 PolarHBondContact OE2-NZ 3.36Å; S177-K222 WeakPolarHBondContact O-CB 3.4Å; S177-K222 PolarHBondContact O-N 2.93Å; V220-K222 HydrophobicContact CG1-CB 4.23Å; V220-K222 PolarHBondContact O-N 2.98Å; K222-R225 PolarHBondContact O-N 2.83Å; K222-V226 WeakPolarHBondContact O-CG2 3.43Å; K222-V226 PolarHBondContact O-N 2.79Å
223	F	94.6	Very high	92.6	Very high	94 Å²	94	74.6 Å²	74.6	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-45.7	177.8	169.6	-92.9	0	0	0	110.5	H219 V220 L221 R225 V226 V227 Y228	H219-F223 HydrophobicContact CB-CD1 4.19Å; H219-F223 AromaticContact CE1-CE1 3.86Å; H219-F223 AromaticContact CG-CD1 3.99Å; H219-F223 AromaticContact CG-CE1 3.99Å; H219-F223 AromaticContact ND1-CE1 3.89Å; H219-F223 AromaticContact NE2-CE1 3.97Å; V220-F223 WeakPolarHBondContact O-CA 3.39Å; V220-F223 VanDerWaalsContact O-CB 3.29Å; V220-F223 WeakPolarHBondContact O-CB 3.32Å; V220-F223 PolarHBondContact O-N 3.07Å; L221-F223 VanDerWaalsContact C-N 3.32Å; L221-F223 PolarHBondContact O-N 3.39Å; F223-R225 VanDerWaalsContact C-N 3.33Å; F223-R225 PolarHBondContact O-N 3.17Å; F223-V226 PolarHBondContact O-N 3.24Å; F223-V227 HydrophobicContact CD2-CG2 3.84Å; F223-V227 HydrophobicContact CE1-CG2 4.36Å; F223-V227 HydrophobicContact CE2-CG2 3.58Å; F223-V227 HydrophobicContact CG-CG2 4.35Å; F223-V227 HydrophobicContact CZ-CB 4.48Å; F223-V227 HydrophobicContact CZ-CG2 3.86Å; F223-V227 WeakPolarHBondContact O-CB 3.38Å; F223-V227 WeakPolarHBondContact O-CG2 3.46Å; F223-V227 PolarHBondContact O-N 3.22Å; F223-Y228 HydrophobicContact CE1-CE2 4.17Å
224	V	94.9	Very high	92.5	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-56.9	-47.3	178	177.9	0	0	0	0	111.2	V181 I206 L215 H219 V220 L221 Y228 M235	V181-V224 HydrophobicContact CG2-CG2 4.35Å; I206-V224 HydrophobicContact CD1-CG1 4Å; L215-V224 HydrophobicContact CD1-CG1 3.66Å; L215-V224 HydrophobicContact CD1-CG2 4.1Å; L215-V224 HydrophobicContact CD2-CG1 3.96Å; L215-V224 HydrophobicContact CD2-CG2 4.26Å; L215-V224 HydrophobicContact CG-CG1 4.49Å; H219-V224 HydrophobicContact CB-CG2 3.82Å; V220-V224 PolarHBondContact O-N 3.48Å; L221-V224 HydrophobicContact CD2-CG2 4.45Å; L221-V224 PolarHBondContact O-N 2.91Å; V224-Y228 HydrophobicContact CG1-CD2 4.28Å; V224-Y228 WeakPolarHBondContact O-CB 3.33Å; V224-Y228 PolarHBondContact O-N 2.85Å; V224-M235 HydrophobicContact CG1-SD 4.1Å
225	R	93.6	Very high	92.6	Very high	97 Å²	97	69.8 Å²	69.8	37%	0.366	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-58.8	176.9	-173	179.7	174.4	-132.8	-2.8	111.2	E152 L221 K222 F223 V227 W229 M235	E152-R225 IonicContact OE1-NH1 3.47Å; E152-R225 PolarHBondContact OE1-NH1 3.31Å; L221-R225 WeakPolarHBondContact O-CB 3.43Å; L221-R225 PolarHBondContact O-N 3.47Å; K222-R225 PolarHBondContact O-N 2.83Å; F223-R225 VanDerWaalsContact C-N 3.33Å; F223-R225 PolarHBondContact O-N 3.17Å; R225-V227 VanDerWaalsContact C-N 3.29Å; R225-V227 PolarHBondContact O-N 3.47Å; R225-W229 CarbonylContact C-O 3.49Å; R225-W229 WeakPolarHBondContact CG-O 3.47Å; R225-W229 CarbonylContact O-C 3.05Å; R225-W229 WeakPolarHBondContact O-CA 3.44Å; R225-W229 PolarHBondContact O-N 3.2Å; R225-M235 WeakPolarHBondContact CA-SD 3.45Å; R225-M235 HydrophobicContact CB-CE 4.28Å; R225-M235 HydrophobicContact CB-SD 3.52Å; R225-M235 VanDerWaalsContact CB-SD 3.52Å; R225-M235 HydrophobicContact CG-SD 4.05Å
226	V	92	Very high	92.6	Very high	87 Å²	87	71 Å²	71	53%	0.527	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-37.7	-174.7	173	0	0	0	0	112.7	K222 F223 N230	K222-V226 WeakPolarHBondContact O-CG2 3.43Å; K222-V226 PolarHBondContact O-N 2.79Å; F223-V226 PolarHBondContact O-N 3.24Å; V226-N230 PolarHBondContact O-ND2 3.14Å; V226-N230 PolarHBondContact O-OD1 2.7Å
227	V	93.5	Very high	92.8	Very high	73 Å²	73	70.2 Å²	70.2	44%	0.442	35%	0.349	S	S	.	.	H	α-helix	trans	-85.7	-39.7	-174.1	176.2	0	0	0	0	112.6	F223 R225	F223-V227 HydrophobicContact CD2-CG2 3.84Å; F223-V227 HydrophobicContact CE1-CG2 4.36Å; F223-V227 HydrophobicContact CE2-CG2 3.58Å; F223-V227 HydrophobicContact CG-CG2 4.35Å; F223-V227 HydrophobicContact CZ-CB 4.48Å; F223-V227 HydrophobicContact CZ-CG2 3.86Å; F223-V227 WeakPolarHBondContact O-CB 3.38Å; F223-V227 WeakPolarHBondContact O-CG2 3.46Å; F223-V227 PolarHBondContact O-N 3.22Å; R225-V227 VanDerWaalsContact C-N 3.29Å; R225-V227 PolarHBondContact O-N 3.47Å
228	Y	93.8	Very high	93	Very high	65 Å²	65	65.1 Å²	65.1	26%	0.255	33%	0.331	S	S	.	.	H	α-helix	trans	-115.2	-15	-169.4	-57.1	-72.1	0	0	0	114.4	I206 T213 L215 F223 V224	I206-Y228 HydrophobicContact CG2-CG 4.07Å; T213-Y228 HydrophobicContact CG2-CD1 4.19Å; T213-Y228 HydrophobicContact CG2-CE1 3.74Å; L215-Y228 HydrophobicContact CD2-CD2 3.95Å; L215-Y228 HydrophobicContact CD2-CE2 3.94Å; F223-Y228 HydrophobicContact CE1-CE2 4.17Å; V224-Y228 HydrophobicContact CG1-CD2 4.28Å; V224-Y228 WeakPolarHBondContact O-CB 3.33Å; V224-Y228 PolarHBondContact O-N 2.85Å
229	W	91.8	Very high	93.1	Very high	51 Å²	51	60 Å²	60	19%	0.193	30%	0.304	C	S	.	.			trans	-148	93.9	-173.3	-165.3	-96.2	0	0	0	113.8	I206 R225 D231 E233 M235 P236	I206-W229 HydrophobicContact CD1-CB 3.73Å; I206-W229 HydrophobicContact CD1-CG 4.46Å; R225-W229 CarbonylContact C-O 3.49Å; R225-W229 WeakPolarHBondContact CG-O 3.47Å; R225-W229 CarbonylContact O-C 3.05Å; R225-W229 WeakPolarHBondContact O-CA 3.44Å; R225-W229 PolarHBondContact O-N 3.2Å; W229-D231 HydrophobicContact CZ2-CB 4.03Å; W229-D231 PolarHBondContact O-N 3.01Å; W229-E233 HydrophobicContact CZ2-CB 4.45Å; W229-E233 PolarHBondContact NE1-O 3.13Å; W229-M235 HydrophobicContact CB-CG 3.9Å; W229-M235 HydrophobicContact CB-SD 4.2Å; W229-M235 HydrophobicContact CG-CB 4.26Å; W229-M235 HydrophobicContact CG-CG 3.78Å; W229-P236 HydrophobicContact CD2-CG 4.41Å; W229-P236 VanDerWaalsContact CE2-CD 3.44Å; W229-P236 HydrophobicContact CE3-CG 4Å; W229-P236 HydrophobicContact CH2-CG 3.49Å; W229-P236 VanDerWaalsContact CH2-CG 3.49Å; W229-P236 VanDerWaalsContact CZ2-CD 3.43Å; W229-P236 HydrophobicContact CZ2-CG 3.94Å; W229-P236 HydrophobicContact CZ3-CG 3.51Å
230	N	83.9	Confident	93.1	Very high	140 Å²	140	60 Å²	60	75%	0.749	30%	0.302	S	S	*	.			trans	-96.8	23.7	-177.8	-71.6	-51.6	0	0	0	113.9	V226	V226-N230 PolarHBondContact O-ND2 3.14Å; V226-N230 PolarHBondContact O-OD1 2.7Å
231	D	86.7	Confident	92.9	Very high	87 Å²	87	61.6 Å²	61.6	47%	0.465	30%	0.303	S	S	.	.	S	Bend	trans	-96.2	166.7	179.7	-142	-43.8	0	0	0	112.6	W229	W229-D231 HydrophobicContact CZ2-CB 4.03Å; W229-D231 PolarHBondContact O-N 3.01Å
232	V	84.8	Confident	92.7	Very high	133 Å²	133	63.7 Å²	63.7	81%	0.806	32%	0.317	S	S	*	.	S	Bend	trans	-79.1	-29.7	171.9	-175.6	0	0	0	0	110.8
233	E	91.1	Very high	91.9	Very high	128 Å²	128	69.7 Å²	69.7	60%	0.598	34%	0.337	S	S	*	.	S	Bend	trans	-63	150.9	177.7	-67.4	-58.2	136.4	0	0	112.1	W229 M235	W229-E233 HydrophobicContact CZ2-CB 4.45Å; W229-E233 PolarHBondContact NE1-O 3.13Å; E233-M235 PolarHBondContact O-N 3.25Å
234	P	93.3	Very high	90.1	Very high	29 Å²	29	72.5 Å²	72.5	19%	0.188	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-53.5	137.6	175.8	-23.5	33.4	0	0	0	111.6	N155 Q157 Y172 P236	N155-P234 HydrophobicContact CB-CB 4.21Å; N155-P234 HydrophobicContact CB-CG 4.37Å; N155-P234 WeakPolarHBondContact O-CA 3.49Å; Q157-P234 HydrophobicContact CB-CB 4.29Å; Y172-P234 HydrophobicContact CD1-CB 4.43Å; Y172-P234 HydrophobicContact CD1-CG 4.29Å; Y172-P234 HydrophobicContact CE1-CG 4.32Å; P234-P236 VanDerWaalsContact O-CD 3.3Å; P234-P236 WeakPolarHBondContact O-CD 3.46Å; P234-P236 VanDerWaalsContact O-N 3.16Å
235	M	95.5	Very high	87.6	Confident	3 Å²	3	80.4 Å²	80.4	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	120.8	178.7	-61.7	-170.3	-70.4	0	0	109.7	V154 N155 I156 Q157 L221 V224 R225 W229 E233 L237	V154-M235 HydrophobicContact CB-CE 4.32Å; V154-M235 HydrophobicContact CG2-CE 4.49Å; N155-M235 PolarHBondContact O-N 3.43Å; I156-M235 WeakPolarHBondContact CA-O 3.2Å; I156-M235 HydrophobicContact CG2-CB 4.15Å; I156-M235 HydrophobicContact CG2-CE 3.46Å; I156-M235 VanDerWaalsContact CG2-CE 3.46Å; Q157-M235 PolarHBondContact N-O 3.27Å; L221-M235 HydrophobicContact CB-CE 4.34Å; V224-M235 HydrophobicContact CG1-SD 4.1Å; R225-M235 WeakPolarHBondContact CA-SD 3.45Å; R225-M235 HydrophobicContact CB-CE 4.28Å; R225-M235 HydrophobicContact CB-SD 3.52Å; R225-M235 VanDerWaalsContact CB-SD 3.52Å; R225-M235 HydrophobicContact CG-SD 4.05Å; W229-M235 HydrophobicContact CB-CG 3.9Å; W229-M235 HydrophobicContact CB-SD 4.2Å; W229-M235 HydrophobicContact CG-CB 4.26Å; W229-M235 HydrophobicContact CG-CG 3.78Å; E233-M235 PolarHBondContact O-N 3.25Å; M235-L237 HydrophobicContact CB-CD2 4.43Å; M235-L237 HydrophobicContact CB-CG 4.46Å; M235-L237 PolarHBondContact O-N 2.84Å
236	P	95.9	Very high	84.7	Confident	27 Å²	27	88.6 Å²	88.6	18%	0.175	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	104.4	-179.7	32.2	-33.8	0	0	0	108.8	Q207 W229 P234	Q207-P236 HydrophobicContact CB-CB 4.09Å; Q207-P236 HydrophobicContact CB-CG 4.1Å; Q207-P236 PolarHBondContact N-O 2.75Å; W229-P236 HydrophobicContact CD2-CG 4.41Å; W229-P236 VanDerWaalsContact CE2-CD 3.44Å; W229-P236 HydrophobicContact CE3-CG 4Å; W229-P236 HydrophobicContact CH2-CG 3.49Å; W229-P236 VanDerWaalsContact CH2-CG 3.49Å; W229-P236 VanDerWaalsContact CZ2-CD 3.43Å; W229-P236 HydrophobicContact CZ2-CG 3.94Å; W229-P236 HydrophobicContact CZ3-CG 3.51Å; P234-P236 VanDerWaalsContact O-CD 3.3Å; P234-P236 WeakPolarHBondContact O-CD 3.46Å; P234-P236 VanDerWaalsContact O-N 3.16Å
237	L	97.2	Very high	84.3	Confident	2 Å²	2	88.7 Å²	88.7	1%	0.01	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.8	178.1	-57.9	-174.6	0	0	0	109.8	I156 Q157 L158 E159 L184 I204 F205 I206 L215 M235	I156-L237 HydrophobicContact CB-CD1 4.08Å; I156-L237 HydrophobicContact CB-CG 4.47Å; I156-L237 HydrophobicContact CD1-CD1 3.99Å; I156-L237 HydrophobicContact CG2-CD1 4.04Å; Q157-L237 WeakPolarHBondContact O-CA 3.48Å; Q157-L237 PolarHBondContact O-N 3.18Å; L158-L237 WeakPolarHBondContact CA-O 3.47Å; L158-L237 HydrophobicContact CD1-CB 3.65Å; E159-L237 PolarHBondContact N-O 2.9Å; L184-L237 HydrophobicContact CD1-CD1 3.51Å; I204-L237 HydrophobicContact CG2-CB 4.22Å; I204-L237 HydrophobicContact CG2-CD1 4.28Å; F205-L237 CarbonylContact O-C 3.58Å; F205-L237 VanDerWaalsContact O-CA 3.27Å; F205-L237 WeakPolarHBondContact O-CA 3.03Å; I206-L237 HydrophobicContact CB-CD2 3.8Å; I206-L237 HydrophobicContact CD1-CD2 4.21Å; I206-L237 HydrophobicContact CG1-CD2 3.89Å; L215-L237 HydrophobicContact CD1-CD2 3.89Å; M235-L237 HydrophobicContact CB-CD2 4.43Å; M235-L237 HydrophobicContact CB-CG 4.46Å; M235-L237 PolarHBondContact O-N 2.84Å
238	Q	95.9	Very high	83.8	Confident	38 Å²	38	89.5 Å²	89.5	18%	0.178	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.3	170.1	-79.5	-178.2	0	0	0	110.7	E159 I204 F205 Q207	E159-Q238 CarbonylContact O-C 3.5Å; E159-Q238 WeakPolarHBondContact O-CA 3.47Å; I204-Q238 CarbonylContact C-O 3.48Å; I204-Q238 WeakPolarHBondContact CA-O 3.18Å; F205-Q238 PolarHBondContact N-O 2.91Å; F205-Q238 PolarHBondContact O-N 2.89Å; Q207-Q238 VanDerWaalsContact CD-OE1 3.24Å; Q207-Q238 HydrophobicContact CG-CB 4.35Å; Q207-Q238 HydrophobicContact CG-CG 3.64Å
239	Y	96	Very high	83.3	Confident	0 Å²	0	90.9 Å²	90.9	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.3	168.6	59.3	-82.5	0	0	0	110.2	L158 E159 P160 G161 L165 E166 P167 L168 V188 V192 D203	L158-Y239 HydrophobicContact CD1-CD1 3.8Å; L158-Y239 HydrophobicContact CG-CD1 3.7Å; L158-Y239 HydrophobicContact CG-CE1 4.12Å; E159-Y239 WeakPolarHBondContact O-CD1 3.45Å; E159-Y239 WeakPolarHBondContact O-CE1 3.38Å; E159-Y239 PolarHBondContact O-N 2.94Å; P160-Y239 HydrophobicContact CB-CE1 4.35Å; P160-Y239 HydrophobicContact CB-CE2 4.01Å; P160-Y239 VanDerWaalsContact N-CE1 3.32Å; G161-Y239 PolarHBondContact N-O 2.99Å; L165-Y239 HydrophobicContact CB-CD2 4.45Å; L165-Y239 HydrophobicContact CB-CE2 3.93Å; L165-Y239 HydrophobicContact CD1-CD2 3.85Å; L165-Y239 HydrophobicContact CD1-CE2 4.18Å; L165-Y239 HydrophobicContact CG-CE2 4.48Å; E166-Y239 PolarHBondContact O-OH 2.82Å; P167-Y239 WeakPolarHBondContact CA-OH 3.37Å; L168-Y239 HydrophobicContact CD1-CE1 3.92Å; L168-Y239 HydrophobicContact CG-CE1 4.09Å; L168-Y239 PolarHBondContact N-OH 2.77Å; V188-Y239 HydrophobicContact CG1-CD1 4.46Å; V188-Y239 HydrophobicContact CG1-CD2 3.36Å; V188-Y239 HydrophobicContact CG1-CE2 3.86Å; V188-Y239 HydrophobicContact CG1-CG 3.72Å; V188-Y239 HydrophobicContact CG2-CD1 4.16Å; V188-Y239 HydrophobicContact CG2-CD2 4.45Å; V188-Y239 HydrophobicContact CG2-CG 4Å; V192-Y239 HydrophobicContact CG1-CE2 4.49Å; V192-Y239 HydrophobicContact CG2-CE2 4.02Å; D203-Y239 VanDerWaalsContact O-CA 3.32Å; D203-Y239 WeakPolarHBondContact O-CA 3.42Å
240	R	94	Very high	82.8	Confident	50 Å²	50	93.2 Å²	93.2	19%	0.189	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157.1	-177	-59.1	-176.7	-175.5	162.2	-1.9	109.2	S162 I202 D203 F205 D211 S242	S162-R240 WeakPolarHBondContact OG-CB 3.39Å; I202-R240 WeakPolarHBondContact CA-O 3.05Å; D203-R240 PolarHBondContact N-O 2.79Å; D203-R240 PolarHBondContact O-N 3.38Å; F205-R240 HydrophobicContact CD2-CB 4.36Å; F205-R240 HydrophobicContact CD2-CG 4.06Å; F205-R240 HydrophobicContact CE2-CB 4.1Å; F205-R240 HydrophobicContact CE2-CG 4.2Å; D211-R240 VanDerWaalsContact O-CZ 3.28Å; D211-R240 PolarHBondContact O-NH1 2.81Å; D211-R240 PolarHBondContact O-NH2 3.24Å; R240-S242 PolarHBondContact O-N 2.88Å
241	Y	93.1	Very high	82.7	Confident	91 Å²	91	90.3 Å²	90.3	36%	0.357	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.6	167.5	-79.8	-68.6	0	0	0	109.8	N164 L165 L193 E201 R243	N164-Y241 HydrophobicContact CB-CE2 4.31Å; L165-Y241 HydrophobicContact CD1-CD2 3.97Å; L165-Y241 HydrophobicContact CD1-CE2 4.18Å; L165-Y241 HydrophobicContact CD1-CG 4.35Å; L165-Y241 HydrophobicContact CD2-CD2 4.06Å; L165-Y241 HydrophobicContact CD2-CE1 3.99Å; L165-Y241 HydrophobicContact CD2-CE2 3.46Å; L165-Y241 VanDerWaalsContact CD2-CE2 3.46Å; L165-Y241 VanDerWaalsContact CD2-CZ 3.42Å; L165-Y241 HydrophobicContact CG-CD2 3.8Å; L165-Y241 HydrophobicContact CG-CE2 3.51Å; L193-Y241 HydrophobicContact CD1-CE1 4.47Å; L193-Y241 HydrophobicContact CD2-CE1 4.03Å; L193-Y241 WeakPolarHBondContact CD2-OH 3.5Å; E201-Y241 CarbonylContact O-C 3.5Å; E201-Y241 VanDerWaalsContact O-CA 3.31Å; E201-Y241 WeakPolarHBondContact O-CA 3.35Å; Y241-R243 PolarHBondContact O-N 2.92Å
242	S	90	Very high	82.4	Confident	44 Å²	44	90.5 Å²	90.5	31%	0.308	42%	0.422	S	S	.	.			trans	-66.3	124.6	174.9	-164	0	0	0	0	109.1	E201 D203 R240 M244	E201-S242 PolarHBondContact O-N 3.37Å; D203-S242 WeakPolarHBondContact OD2-CA 3.37Å; D203-S242 WeakPolarHBondContact OD2-CB 3.3Å; D203-S242 PolarHBondContact OD2-OG 3.5Å; R240-S242 PolarHBondContact O-N 2.88Å; S242-M244 PolarHBondContact O-N 3.44Å
243	R	79	Confident	82.3	Confident	225 Å²	225	87.5 Å²	87.5	85%	0.849	40%	0.395	S	S	*	.			trans	-76.7	111.6	175	-68.6	-175.1	179.2	178.8	1.3	107.6	Y241 I245	Y241-R243 PolarHBondContact O-N 2.92Å; R243-I245 PolarHBondContact O-N 3.43Å
244	M	55.7	Low	81.6	Confident	152 Å²	152	84.4 Å²	84.4	75%	0.749	38%	0.379	S	S	*	.			trans	-60	111.5	164.9	-75.6	-170.8	171.5	0	0	108.2	S242 Y246	S242-M244 PolarHBondContact O-N 3.44Å; M244-Y246 HydrophobicContact CB-CE2 4.34Å; M244-Y246 PolarHBondContact O-N 2.78Å
245	I	42.7	Very low	80.6	Confident	167 Å²	167	89 Å²	89	86%	0.856	40%	0.395	S	S	*	.			trans	-78.3	104.8	162.1	-54.6	175.5	0	0	0	104.7	R243	R243-I245 PolarHBondContact O-N 3.43Å
246	Y	32.1	Very low	79.3	Confident	269 Å²	269	96.8 Å²	96.8	100%	1.055	43%	0.43	S	S	*	.			trans	-69.3	0	165.1	-72.4	-82.3	0	0	0	110.4	M244	M244-Y246 HydrophobicContact CB-CE2 4.34Å; M244-Y246 PolarHBondContact O-N 2.78Å

Retrieved 246 of 246 residues in 309.4 ms (Link to these results)

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