A0A5K4EBL2_SCHMA Loading...

Protein arginine N-methyltransferase

Arginine methyltransferase that can both catalyze the formation of omega-N monomethylarginine (MMA) and symmetrical dimethylarginine (sDMA).

AlphaFold DB , UniProt , Accession A0A5K4EBL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 738 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	45.1	Very low	195 Å²	195	139.5 Å²	139.5	96%	0.961	69%	0.688	S	S	*	*				0	135	0	-81.3	-179.7	-178.4	0	0	109.6
2	Q	30.7	Very low	47.2	Very low	190 Å²	190	133.5 Å²	133.5	89%	0.888	66%	0.655	S	S	*	*			trans	-96.4	104.9	164.4	-81.6	-178.3	-11.7	0	0	107.8	K4	Q2-K4 PolarHBondContact O-N 3.13Å
3	W	42.8	Very low	49.1	Very low	144 Å²	144	127.1 Å²	127.1	55%	0.545	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-70.8	118.6	173.2	-80.9	85.4	0	0	0	109.4	E15 R110	W3-E15 HydrophobicContact CH2-CG 4.29Å; W3-E15 VanDerWaalsContact CZ3-CD 3.41Å; W3-E15 HydrophobicContact CZ3-CG 4.5Å; W3-E15 WeakPolarHBondContact CZ3-OE1 3.45Å; W3-E15 WeakPolarHBondContact CZ3-OE2 3.45Å; W3-R110 PolarHBondContact O-NH2 2.62Å
4	K	40.8	Very low	50.6	Low	175 Å²	175	124.9 Å²	124.9	76%	0.761	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-90.4	144	175.5	-75.2	-177.4	175.6	178.4	0	109.9	Q2 V6	Q2-K4 PolarHBondContact O-N 3.13Å; K4-V6 PolarHBondContact O-N 3.05Å
5	D	43.8	Very low	51.9	Low	169 Å²	169	118.5 Å²	118.5	90%	0.904	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.9	166.4	-66.6	-32.7	0	0	0	108.8
6	V	43	Very low	53.4	Low	66 Å²	66	111.8 Å²	111.8	40%	0.4	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-95.9	159.2	-177	-90.5	0	0	0	0	111.2	K4 Y10 F12	K4-V6 PolarHBondContact O-N 3.05Å; V6-Y10 HydrophobicContact CB-CD1 4.08Å; V6-Y10 HydrophobicContact CB-CD2 3.62Å; V6-Y10 HydrophobicContact CB-CE2 4.11Å; V6-Y10 HydrophobicContact CB-CG 3.59Å; V6-Y10 HydrophobicContact CG1-CD2 3.58Å; V6-Y10 HydrophobicContact CG1-CE2 3.6Å; V6-Y10 HydrophobicContact CG1-CG 4.06Å; V6-Y10 HydrophobicContact CG2-CD1 3.62Å; V6-Y10 HydrophobicContact CG2-CD2 4.09Å; V6-Y10 HydrophobicContact CG2-CE1 3.97Å; V6-Y10 HydrophobicContact CG2-CE2 4.42Å; V6-Y10 HydrophobicContact CG2-CG 3.67Å; V6-F12 HydrophobicContact CG2-CE1 4.4Å
7	D	47.7	Very low	54.4	Low	98 Å²	98	105.5 Å²	105.5	52%	0.524	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-51.5	142.9	179.4	-163.5	-52.4	0	0	0	111.7	D9 Y10	D7-D9 PolarHBondContact O-N 3.33Å; D7-D9 VanDerWaalsContact O-N 3.11Å; D7-D9 PolarHBondContact OD1-N 3.07Å; D7-Y10 WeakPolarHBondContact O-CB 3.27Å; D7-Y10 PolarHBondContact O-N 2.82Å
8	P	48	Very low	55.1	Low	123 Å²	123	110.8 Å²	110.8	80%	0.799	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.2	171.3	18.4	-31.7	0	0	0	115	Y10	P8-Y10 VanDerWaalsContact C-N 3.25Å; P8-Y10 PolarHBondContact O-N 3.17Å
9	D	49.5	Very low	55.4	Low	150 Å²	150	105.7 Å²	105.7	80%	0.802	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	9	174.5	-68.7	-26.4	0	0	0	113.5	D7 E11	D7-D9 PolarHBondContact O-N 3.33Å; D7-D9 VanDerWaalsContact O-N 3.11Å; D7-D9 PolarHBondContact OD1-N 3.07Å; D9-E11 PolarHBondContact O-N 3.37Å
10	Y	55.9	Low	55.6	Low	87 Å²	87	101.4 Å²	101.4	34%	0.341	49%	0.493	S	S	.	.			trans	-67.4	126.1	-177.5	-172.3	-99.1	0	0	0	112.6	V6 D7 P8 F12 E15	V6-Y10 HydrophobicContact CB-CD1 4.08Å; V6-Y10 HydrophobicContact CB-CD2 3.62Å; V6-Y10 HydrophobicContact CB-CE2 4.11Å; V6-Y10 HydrophobicContact CB-CG 3.59Å; V6-Y10 HydrophobicContact CG1-CD2 3.58Å; V6-Y10 HydrophobicContact CG1-CE2 3.6Å; V6-Y10 HydrophobicContact CG1-CG 4.06Å; V6-Y10 HydrophobicContact CG2-CD1 3.62Å; V6-Y10 HydrophobicContact CG2-CD2 4.09Å; V6-Y10 HydrophobicContact CG2-CE1 3.97Å; V6-Y10 HydrophobicContact CG2-CE2 4.42Å; V6-Y10 HydrophobicContact CG2-CG 3.67Å; D7-Y10 WeakPolarHBondContact O-CB 3.27Å; D7-Y10 PolarHBondContact O-N 2.82Å; P8-Y10 VanDerWaalsContact C-N 3.25Å; P8-Y10 PolarHBondContact O-N 3.17Å; Y10-F12 AromaticContact CD1-CD1 3.84Å; Y10-F12 HydrophobicContact CD1-CD1 3.84Å; Y10-F12 AromaticContact CD1-CE1 3.86Å; Y10-F12 HydrophobicContact CD1-CE1 3.86Å; Y10-F12 HydrophobicContact CD1-CG 4.33Å; Y10-F12 HydrophobicContact CD1-CZ 4.33Å; Y10-F12 HydrophobicContact CE1-CD1 4.33Å; Y10-F12 VanDerWaalsContact O-CD2 3.25Å; Y10-F12 WeakPolarHBondContact O-CD2 3.48Å; Y10-F12 PolarHBondContact O-N 3.01Å; Y10-E15 HydrophobicContact CE1-CG 4.04Å; Y10-E15 WeakPolarHBondContact CE1-OE1 3.24Å; Y10-E15 WeakPolarHBondContact CE1-OE2 3.35Å; Y10-E15 PolarHBondContact OH-OE1 2.6Å
11	E	61.2	Low	55.8	Low	137 Å²	137	102.1 Å²	102.1	64%	0.64	49%	0.492	S	S	*	.			trans	-72.6	86.1	179.2	-72	-167.4	169	0	0	111.6	D9 N13	D9-E11 PolarHBondContact O-N 3.37Å; E11-N13 PolarHBondContact O-N 3.34Å
12	F	70.4	Confident	57.5	Low	68 Å²	68	93.1 Å²	93.1	30%	0.298	45%	0.448	S	S	.	.	H	α-helix	trans	-59.9	-15.5	175.3	-65	-70.9	0	0	0	113.9	V6 Y10 Q14 E15 I16 F84 P86	V6-F12 HydrophobicContact CG2-CE1 4.4Å; Y10-F12 AromaticContact CD1-CD1 3.84Å; Y10-F12 HydrophobicContact CD1-CD1 3.84Å; Y10-F12 AromaticContact CD1-CE1 3.86Å; Y10-F12 HydrophobicContact CD1-CE1 3.86Å; Y10-F12 HydrophobicContact CD1-CG 4.33Å; Y10-F12 HydrophobicContact CD1-CZ 4.33Å; Y10-F12 HydrophobicContact CE1-CD1 4.33Å; Y10-F12 VanDerWaalsContact O-CD2 3.25Å; Y10-F12 WeakPolarHBondContact O-CD2 3.48Å; Y10-F12 PolarHBondContact O-N 3.01Å; F12-Q14 PolarHBondContact O-N 3.28Å; F12-E15 PolarHBondContact O-N 3.38Å; F12-E15 VanDerWaalsContact O-N 3.13Å; F12-I16 HydrophobicContact CB-CD1 3.75Å; F12-I16 HydrophobicContact CB-CG1 4.26Å; F12-I16 WeakPolarHBondContact O-CB 3.39Å; F12-I16 WeakPolarHBondContact O-CD1 3.24Å; F12-I16 WeakPolarHBondContact O-CG1 3.42Å; F12-I16 PolarHBondContact O-N 3.01Å; F12-F84 AromaticContact CD1-CE2 3.57Å; F12-F84 HydrophobicContact CD1-CE2 3.57Å; F12-F84 AromaticContact CD1-CZ 4Å; F12-F84 HydrophobicContact CD1-CZ 4Å; F12-F84 AromaticContact CE1-CE2 3.95Å; F12-F84 HydrophobicContact CE1-CE2 3.95Å; F12-P86 HydrophobicContact CB-CG 4.28Å; F12-P86 HydrophobicContact CD1-CG 4.06Å; F12-P86 HydrophobicContact CD2-CG 4.47Å; F12-P86 HydrophobicContact CG-CG 4.01Å
13	N	73	Confident	59.9	Low	50 Å²	50	85.1 Å²	85.1	27%	0.267	41%	0.412	S	S	.	.	H	α-helix	trans	-57	-45.7	-174.2	-63.9	-45.4	0	0	0	112.3	E11 E15 I16 A17 A583	E11-N13 PolarHBondContact O-N 3.34Å; N13-E15 PolarHBondContact O-N 3Å; N13-I16 PolarHBondContact O-N 3.49Å; N13-A17 VanDerWaalsContact O-CB 3.3Å; N13-A17 WeakPolarHBondContact O-CB 3.27Å; N13-A17 PolarHBondContact O-N 2.87Å; N13-A583 WeakPolarHBondContact O-CB 3.49Å
14	Q	69.4	Low	62.1	Low	97 Å²	97	79.1 Å²	79.1	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-66.4	-39	178.3	-73.8	-174.5	9.1	0	0	112	F12 R18	F12-Q14 PolarHBondContact O-N 3.28Å; Q14-R18 VanDerWaalsContact O-CB 3.28Å; Q14-R18 WeakPolarHBondContact O-CB 3.45Å; Q14-R18 WeakPolarHBondContact O-CG 3.19Å; Q14-R18 PolarHBondContact O-N 3.36Å
15	E	70.3	Confident	64.5	Low	29 Å²	29	71.4 Å²	71.4	14%	0.136	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-40.1	176.7	-69	-170.4	170.1	0	0	112	W3 Y10 F12 N13 R18 S19 F84	W3-E15 HydrophobicContact CH2-CG 4.29Å; W3-E15 VanDerWaalsContact CZ3-CD 3.41Å; W3-E15 HydrophobicContact CZ3-CG 4.5Å; W3-E15 WeakPolarHBondContact CZ3-OE1 3.45Å; W3-E15 WeakPolarHBondContact CZ3-OE2 3.45Å; Y10-E15 HydrophobicContact CE1-CG 4.04Å; Y10-E15 WeakPolarHBondContact CE1-OE1 3.24Å; Y10-E15 WeakPolarHBondContact CE1-OE2 3.35Å; Y10-E15 PolarHBondContact OH-OE1 2.6Å; F12-E15 PolarHBondContact O-N 3.38Å; F12-E15 VanDerWaalsContact O-N 3.13Å; N13-E15 PolarHBondContact O-N 3Å; E15-R18 PolarHBondContact O-N 3Å; E15-S19 WeakPolarHBondContact O-CA 3.33Å; E15-S19 WeakPolarHBondContact O-CB 3.38Å; E15-S19 PolarHBondContact O-N 2.72Å; E15-S19 PolarHBondContact O-OG 2.7Å; E15-F84 HydrophobicContact CB-CZ 4.18Å
16	I	76.2	Confident	66.7	Low	11 Å²	11	64.8 Å²	64.8	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-48.4	176.5	-68.5	163.1	0	0	0	109.7	F12 N13 R18 S19 G20 F84 P86 L579 A583	F12-I16 HydrophobicContact CB-CD1 3.75Å; F12-I16 HydrophobicContact CB-CG1 4.26Å; F12-I16 WeakPolarHBondContact O-CB 3.39Å; F12-I16 WeakPolarHBondContact O-CD1 3.24Å; F12-I16 WeakPolarHBondContact O-CG1 3.42Å; F12-I16 PolarHBondContact O-N 3.01Å; N13-I16 PolarHBondContact O-N 3.49Å; I16-R18 PolarHBondContact O-N 2.7Å; I16-S19 VanDerWaalsContact CA-OG 3.26Å; I16-S19 WeakPolarHBondContact CA-OG 3.31Å; I16-S19 CarbonylContact O-C 3.54Å; I16-S19 PolarHBondContact O-N 2.97Å; I16-S19 PolarHBondContact O-OG 3.05Å; I16-G20 PolarHBondContact O-N 2.82Å; I16-F84 HydrophobicContact CG1-CE1 3.93Å; I16-F84 HydrophobicContact CG1-CZ 3.89Å; I16-P86 HydrophobicContact CD1-CB 3.91Å; I16-P86 HydrophobicContact CD1-CG 4.29Å; I16-P86 HydrophobicContact CG1-CB 4.19Å; I16-L579 HydrophobicContact CD1-CD1 4.09Å; I16-L579 HydrophobicContact CG2-CD1 4.08Å; I16-L579 HydrophobicContact CG2-CD2 4.29Å; I16-L579 HydrophobicContact CG2-CG 3.7Å; I16-A583 HydrophobicContact CB-CB 3.7Å; I16-A583 HydrophobicContact CG2-CB 3.41Å; I16-A583 VanDerWaalsContact CG2-CB 3.41Å
17	A	69.4	Low	69.1	Low	4 Å²	4	62.2 Å²	62.2	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-45.6	177.7	0	0	0	0	0	111.5	N13 G20 A583 S587	N13-A17 VanDerWaalsContact O-CB 3.3Å; N13-A17 WeakPolarHBondContact O-CB 3.27Å; N13-A17 PolarHBondContact O-N 2.87Å; A17-G20 PolarHBondContact O-N 3.43Å; A17-G20 VanDerWaalsContact O-N 3.13Å; A17-A583 HydrophobicContact CB-CB 4.26Å; A17-S587 WeakPolarHBondContact CB-OG 3.13Å
18	R	68	Low	71.3	Confident	201 Å²	201	61.6 Å²	61.6	76%	0.758	31%	0.308	S	S	*	.	H	α-helix	trans	-70.9	-29.4	176	-70.5	176.3	-178.3	178	3.6	113.5	Q14 E15 I16 G20	Q14-R18 VanDerWaalsContact O-CB 3.28Å; Q14-R18 WeakPolarHBondContact O-CB 3.45Å; Q14-R18 WeakPolarHBondContact O-CG 3.19Å; Q14-R18 PolarHBondContact O-N 3.36Å; E15-R18 PolarHBondContact O-N 3Å; I16-R18 PolarHBondContact O-N 2.7Å; R18-G20 PolarHBondContact O-N 3.2Å
19	S	61.2	Low	73.6	Confident	14 Å²	14	58.1 Å²	58.1	10%	0.098	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	6.5	171.1	78.1	0	0	0	0	112.4	E15 I16 Y21	E15-S19 WeakPolarHBondContact O-CA 3.33Å; E15-S19 WeakPolarHBondContact O-CB 3.38Å; E15-S19 PolarHBondContact O-N 2.72Å; E15-S19 PolarHBondContact O-OG 2.7Å; I16-S19 VanDerWaalsContact CA-OG 3.26Å; I16-S19 WeakPolarHBondContact CA-OG 3.31Å; I16-S19 CarbonylContact O-C 3.54Å; I16-S19 PolarHBondContact O-N 2.97Å; I16-S19 PolarHBondContact O-OG 3.05Å; S19-Y21 WeakPolarHBondContact O-CD2 3.44Å; S19-Y21 PolarHBondContact O-N 2.82Å
20	G	58.7	Low	75.8	Confident	19 Å²	19	51.6 Å²	51.6	20%	0.196	25%	0.247	C	C	.	.			trans	-62.1	70.5	168.3	0	0	0	0	0	110.6	I16 A17 R18 G22	I16-G20 PolarHBondContact O-N 2.82Å; A17-G20 PolarHBondContact O-N 3.43Å; A17-G20 VanDerWaalsContact O-N 3.13Å; R18-G20 PolarHBondContact O-N 3.2Å; G20-G22 PolarHBondContact O-N 2.94Å
21	Y	60.2	Low	77.7	Confident	118 Å²	118	47.6 Å²	47.6	46%	0.463	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	34	167.6	-57.1	-72.8	0	0	0	110.7	S19 D23 M24 L25	S19-Y21 WeakPolarHBondContact O-CD2 3.44Å; S19-Y21 PolarHBondContact O-N 2.82Å; Y21-D23 PolarHBondContact O-N 2.98Å; Y21-M24 HydrophobicContact CD1-CE 3.93Å; Y21-M24 HydrophobicContact CD1-CG 4.48Å; Y21-M24 HydrophobicContact CD1-SD 3.64Å; Y21-M24 HydrophobicContact CE1-CE 4.26Å; Y21-M24 HydrophobicContact CE1-SD 4.39Å; Y21-M24 HydrophobicContact CG-SD 4.08Å; Y21-M24 WeakPolarHBondContact O-CB 3.24Å; Y21-M24 PolarHBondContact O-N 3.24Å; Y21-M24 VanDerWaalsContact O-N 3.09Å; Y21-L25 PolarHBondContact O-N 2.82Å; Y21-L25 VanDerWaalsContact O-N 3.08Å
22	G	67.9	Low	79.4	Confident	5 Å²	5	44.9 Å²	44.9	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-37.3	180	0	0	0	0	0	110.2	G20 M24 L25 H26	G20-G22 PolarHBondContact O-N 2.94Å; G22-M24 VanDerWaalsContact C-N 3.35Å; G22-M24 PolarHBondContact O-N 3.49Å; G22-L25 PolarHBondContact O-N 3.01Å; G22-L25 VanDerWaalsContact O-N 3.16Å; G22-H26 WeakPolarHBondContact O-CB 3.47Å; G22-H26 PolarHBondContact O-CD2 3.45Å; G22-H26 PolarHBondContact O-N 3.21Å
23	D	81.6	Confident	80.8	Confident	23 Å²	23	42.2 Å²	42.2	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-40.9	175.6	82.6	-53.1	0	0	0	112.4	Y21 H26 D27 D311 H312 I560	Y21-D23 PolarHBondContact O-N 2.98Å; D23-H26 CarbonylContact O-C 2.92Å; D23-H26 PolarHBondContact O-N 3.01Å; D23-D27 PolarHBondContact O-N 3.1Å; D23-D311 HydrophobicContact CB-CB 4.47Å; D23-H312 VanDerWaalsContact OD2-CB 3.24Å; D23-H312 WeakPolarHBondContact OD2-CB 3.42Å; D23-H312 IonicContact OD2-CE1 3.36Å; D23-H312 IonicContact OD2-CG 3.44Å; D23-H312 VanDerWaalsContact OD2-CG 3.32Å; D23-H312 PolarHBondContact OD2-N 3.33Å; D23-H312 IonicContact OD2-ND1 2.8Å; D23-H312 PolarHBondContact OD2-ND1 3.43Å; D23-I560 HydrophobicContact CB-CG2 3.96Å
24	M	89	Confident	82	Confident	18 Å²	18	39.9 Å²	39.9	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-41.1	173.3	-71.6	-172.4	176.1	0	0	111.4	Y21 G22 H26 D27 R30 N31 H312	Y21-M24 HydrophobicContact CD1-CE 3.93Å; Y21-M24 HydrophobicContact CD1-CG 4.48Å; Y21-M24 HydrophobicContact CD1-SD 3.64Å; Y21-M24 HydrophobicContact CE1-CE 4.26Å; Y21-M24 HydrophobicContact CE1-SD 4.39Å; Y21-M24 HydrophobicContact CG-SD 4.08Å; Y21-M24 WeakPolarHBondContact O-CB 3.24Å; Y21-M24 PolarHBondContact O-N 3.24Å; Y21-M24 VanDerWaalsContact O-N 3.09Å; G22-M24 VanDerWaalsContact C-N 3.35Å; G22-M24 PolarHBondContact O-N 3.49Å; M24-H26 VanDerWaalsContact C-N 3.28Å; M24-H26 PolarHBondContact O-N 3.2Å; M24-D27 WeakPolarHBondContact O-CB 3.2Å; M24-D27 PolarHBondContact O-N 2.94Å; M24-R30 VanDerWaalsContact C-NH1 3.32Å; M24-R30 PolarHBondContact O-NH1 3.15Å; M24-R30 PolarHBondContact O-NH2 3.49Å; M24-R30 VanDerWaalsContact O-NH2 3.15Å; M24-N31 PolarHBondContact O-ND2 2.91Å; M24-H312 HydrophobicContact CE-CB 3.6Å; M24-H312 HydrophobicContact CG-CB 3.77Å; M24-H312 VanDerWaalsContact CG-CG 3.43Å
25	L	91	Very high	83.4	Confident	13 Å²	13	37.7 Å²	37.7	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-70.3	-26.6	176.4	-66	172.9	0	0	0	112.4	Y21 G22 D27 N31 T63 L65 V564 L573 F576	Y21-L25 PolarHBondContact O-N 2.82Å; Y21-L25 VanDerWaalsContact O-N 3.08Å; G22-L25 PolarHBondContact O-N 3.01Å; G22-L25 VanDerWaalsContact O-N 3.16Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-N31 PolarHBondContact O-ND2 3.29Å; L25-T63 HydrophobicContact CD1-CG2 4.1Å; L25-L65 HydrophobicContact CD2-CD2 3.91Å; L25-V564 HydrophobicContact CB-CG1 4.15Å; L25-V564 HydrophobicContact CB-CG2 3.63Å; L25-V564 HydrophobicContact CD1-CG2 3.84Å; L25-V564 HydrophobicContact CG-CG2 4.4Å; L25-L573 HydrophobicContact CD1-CD1 4.47Å; L25-L573 HydrophobicContact CD2-CD1 4.26Å; L25-F576 HydrophobicContact CD1-CD1 3.69Å; L25-F576 HydrophobicContact CD1-CE1 3.48Å; L25-F576 VanDerWaalsContact CD1-CE1 3.48Å; L25-F576 HydrophobicContact CD1-CE2 4.43Å; L25-F576 HydrophobicContact CD1-CG 4.27Å; L25-F576 HydrophobicContact CD1-CZ 3.87Å
26	H	90.2	Very high	84.7	Confident	29 Å²	29	39 Å²	39	13%	0.134	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.2	171.6	-73	-60.4	0	0	0	114.3	G22 D23 M24 S28 R559 S562 P563	G22-H26 WeakPolarHBondContact O-CB 3.47Å; G22-H26 PolarHBondContact O-CD2 3.45Å; G22-H26 PolarHBondContact O-N 3.21Å; D23-H26 CarbonylContact O-C 2.92Å; D23-H26 PolarHBondContact O-N 3.01Å; M24-H26 VanDerWaalsContact C-N 3.28Å; M24-H26 PolarHBondContact O-N 3.2Å; H26-S28 VanDerWaalsContact C-N 3.26Å; H26-S28 PolarHBondContact O-N 2.99Å; H26-R559 HydrophobicContact CB-CB 4.26Å; H26-R559 PolarHBondContact CD2-O 3.47Å; H26-R559 VanDerWaalsContact CD2-O 3.27Å; H26-S562 PolarHBondContact NE2-O 2.76Å; H26-P563 PolarHBondContact CE1-O 3.02Å; H26-P563 VanDerWaalsContact CE1-O 3.32Å; H26-P563 PolarHBondContact NE2-O 2.73Å
27	D	93.1	Very high	85.8	Confident	13 Å²	13	38.5 Å²	38.5	7%	0.07	19%	0.187	C	C	.	.			trans	-77.8	80.1	170.9	-176.7	-2.8	0	0	0	110.6	D23 M24 L25 D29 R30 N31 R310 H312	D23-D27 PolarHBondContact O-N 3.1Å; M24-D27 WeakPolarHBondContact O-CB 3.2Å; M24-D27 PolarHBondContact O-N 2.94Å; L25-D27 VanDerWaalsContact C-N 3.35Å; D27-D29 PolarHBondContact O-N 2.72Å; D27-D29 PolarHBondContact OD1-N 2.68Å; D27-R30 HydrophobicContact CB-CB 4.14Å; D27-R30 PolarHBondContact O-N 3.24Å; D27-R30 PolarHBondContact OD1-N 3.39Å; D27-R30 WeakPolarHBondContact OD2-CB 3.49Å; D27-R30 IonicContact OD2-NH1 3.15Å; D27-N31 WeakPolarHBondContact O-CB 3.39Å; D27-N31 VanDerWaalsContact O-CG 3.28Å; D27-N31 PolarHBondContact O-N 3.03Å; D27-N31 PolarHBondContact O-ND2 3.21Å; D27-N31 VanDerWaalsContact O-ND2 3.07Å; D27-R310 IonicContact OD1-NE 3.69Å; D27-R310 IonicContact OD1-NH2 3.12Å; D27-R310 WeakPolarHBondContact OD2-CD 3.43Å; D27-R310 IonicContact OD2-CZ 3.53Å; D27-R310 IonicContact OD2-NE 2.82Å; D27-R310 PolarHBondContact OD2-NE 3.37Å; D27-R310 IonicContact OD2-NH2 2.62Å; D27-R310 PolarHBondContact OD2-NH2 3.28Å; D27-H312 IonicContact OD2-CE1 2.65Å; D27-H312 IonicContact OD2-NE2 2.63Å; D27-H312 PolarHBondContact OD2-NE2 2.73Å
28	S	93.4	Very high	87.2	Confident	85 Å²	85	38.4 Å²	38.4	59%	0.594	19%	0.186	S	C	*	.	H	α-helix	trans	-60.6	-30.2	178.7	58.4	0	0	0	0	113.1	H26 H32	H26-S28 VanDerWaalsContact C-N 3.26Å; H26-S28 PolarHBondContact O-N 2.99Å; S28-H32 WeakPolarHBondContact O-CB 3.4Å; S28-H32 PolarHBondContact O-N 3.24Å
29	D	95.6	Very high	88.6	Confident	50 Å²	50	31 Å²	31	27%	0.267	16%	0.16	S	C	.	.	H	α-helix	trans	-67.5	-48.2	177.8	176.5	71	0	0	0	110.6	D27 K33 A308 R310	D27-D29 PolarHBondContact O-N 2.72Å; D27-D29 PolarHBondContact OD1-N 2.68Å; D29-K33 VanDerWaalsContact CG-NZ 3.29Å; D29-K33 WeakPolarHBondContact O-CB 3.46Å; D29-K33 WeakPolarHBondContact O-CG 3.16Å; D29-K33 PolarHBondContact O-N 2.87Å; D29-K33 WeakPolarHBondContact OD1-CE 3.22Å; D29-K33 IonicContact OD1-NZ 2.73Å; D29-K33 PolarHBondContact OD1-NZ 2.82Å; D29-K33 WeakPolarHBondContact OD2-CE 3.37Å; D29-K33 IonicContact OD2-NZ 3.04Å; D29-K33 PolarHBondContact OD2-NZ 3.39Å; D29-A308 HydrophobicContact CB-CB 4.11Å; D29-R310 IonicContact OD2-CZ 3.07Å; D29-R310 IonicContact OD2-NH2 3.68Å; D29-R310 PolarHBondContact OD2-NH2 3.38Å
30	R	96.4	Very high	90.4	Very high	13 Å²	13	32.9 Å²	32.9	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-55.2	175.3	171.9	171.8	114.2	-87	-18.1	111	M24 D27 H32 K33 Y34 I295 W313	M24-R30 VanDerWaalsContact C-NH1 3.32Å; M24-R30 PolarHBondContact O-NH1 3.15Å; M24-R30 PolarHBondContact O-NH2 3.49Å; M24-R30 VanDerWaalsContact O-NH2 3.15Å; D27-R30 HydrophobicContact CB-CB 4.14Å; D27-R30 PolarHBondContact O-N 3.24Å; D27-R30 PolarHBondContact OD1-N 3.39Å; D27-R30 WeakPolarHBondContact OD2-CB 3.49Å; D27-R30 IonicContact OD2-NH1 3.15Å; R30-H32 VanDerWaalsContact C-N 3.27Å; R30-H32 PolarHBondContact O-N 3.41Å; R30-K33 PolarHBondContact O-N 3.44Å; R30-K33 VanDerWaalsContact O-N 3.14Å; R30-Y34 HydrophobicContact CG-CD2 3.67Å; R30-Y34 HydrophobicContact CG-CE2 3.79Å; R30-Y34 WeakPolarHBondContact O-CD2 3.34Å; R30-Y34 PolarHBondContact O-N 3.37Å; R30-I295 HydrophobicContact CB-CD1 4.22Å; R30-I295 HydrophobicContact CG-CD1 3.82Å; R30-W313 VanDerWaalsContact CD-CZ3 3.4Å; R30-W313 HydrophobicContact CG-CZ3 4.33Å
31	N	96.5	Very high	92.3	Very high	2 Å²	2	32 Å²	32	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-40.3	-174.2	-66	-32.1	0	0	0	111.3	M24 L25 D27 Y34 R35 M69 C568 E569	M24-N31 PolarHBondContact O-ND2 2.91Å; L25-N31 PolarHBondContact O-ND2 3.29Å; D27-N31 WeakPolarHBondContact O-CB 3.39Å; D27-N31 VanDerWaalsContact O-CG 3.28Å; D27-N31 PolarHBondContact O-N 3.03Å; D27-N31 PolarHBondContact O-ND2 3.21Å; D27-N31 VanDerWaalsContact O-ND2 3.07Å; N31-Y34 PolarHBondContact O-N 2.98Å; N31-R35 PolarHBondContact O-N 2.97Å; N31-M69 HydrophobicContact CB-CE 4.4Å; N31-C568 PolarHBondContact ND2-SG 2.73Å; N31-E569 HydrophobicContact CB-CG 4.27Å
32	H	97.3	Very high	94.1	Very high	81 Å²	81	26.3 Å²	26.3	38%	0.375	14%	0.135	S	C	.	.	H	α-helix	trans	-64.3	-44.3	176.1	-170.3	88.2	0	0	0	112.6	S28 R30 R35 L36 E569	S28-H32 WeakPolarHBondContact O-CB 3.4Å; S28-H32 PolarHBondContact O-N 3.24Å; R30-H32 VanDerWaalsContact C-N 3.27Å; R30-H32 PolarHBondContact O-N 3.41Å; H32-R35 PolarHBondContact CE1-NH2 3.01Å; H32-R35 PolarHBondContact ND1-NH2 2.93Å; H32-R35 PolarHBondContact O-N 3.25Å; H32-L36 WeakPolarHBondContact O-CG 3.33Å; H32-L36 PolarHBondContact O-N 3.38Å; H32-E569 VanDerWaalsContact CA-OE1 3.31Å; H32-E569 WeakPolarHBondContact CA-OE1 3.42Å; H32-E569 PolarHBondContact N-OE1 3.17Å; H32-E569 IonicContact ND1-OE1 2.7Å
33	K	98.2	Very high	95.5	Very high	12 Å²	12	31 Å²	31	5%	0.052	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-39.2	177.7	-75.7	170.9	-179.9	165.8	0	112	D29 R30 L36 A37 V292 P294 I295 N306	D29-K33 VanDerWaalsContact CG-NZ 3.29Å; D29-K33 WeakPolarHBondContact O-CB 3.46Å; D29-K33 WeakPolarHBondContact O-CG 3.16Å; D29-K33 PolarHBondContact O-N 2.87Å; D29-K33 WeakPolarHBondContact OD1-CE 3.22Å; D29-K33 IonicContact OD1-NZ 2.73Å; D29-K33 PolarHBondContact OD1-NZ 2.82Å; D29-K33 WeakPolarHBondContact OD2-CE 3.37Å; D29-K33 IonicContact OD2-NZ 3.04Å; D29-K33 PolarHBondContact OD2-NZ 3.39Å; R30-K33 PolarHBondContact O-N 3.44Å; R30-K33 VanDerWaalsContact O-N 3.14Å; K33-L36 PolarHBondContact O-N 3.28Å; K33-A37 WeakPolarHBondContact O-CB 3.42Å; K33-A37 PolarHBondContact O-N 3Å; K33-V292 HydrophobicContact CB-CG1 4.25Å; K33-V292 HydrophobicContact CG-CG1 4.35Å; K33-P294 WeakPolarHBondContact CE-O 3.2Å; K33-P294 PolarHBondContact NZ-O 2.95Å; K33-I295 HydrophobicContact CB-CD1 4.37Å; K33-I295 HydrophobicContact CB-CG1 4Å; K33-I295 HydrophobicContact CD-CG1 3.6Å; K33-I295 HydrophobicContact CG-CG1 4.45Å; K33-N306 PolarHBondContact NZ-O 2.89Å; K33-N306 VanDerWaalsContact NZ-O 3.16Å
34	Y	98.4	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-50.4	171	-93.5	-84.9	0	0	0	111.4	R30 N31 L36 A37 I38 L66 A129 E130 I160 P161 M286 I295	R30-Y34 HydrophobicContact CG-CD2 3.67Å; R30-Y34 HydrophobicContact CG-CE2 3.79Å; R30-Y34 WeakPolarHBondContact O-CD2 3.34Å; R30-Y34 PolarHBondContact O-N 3.37Å; N31-Y34 PolarHBondContact O-N 2.98Å; Y34-L36 PolarHBondContact O-N 2.96Å; Y34-A37 PolarHBondContact O-N 3.49Å; Y34-I38 WeakPolarHBondContact O-CB 3.48Å; Y34-I38 VanDerWaalsContact O-CG1 3.24Å; Y34-I38 WeakPolarHBondContact O-CG1 3.37Å; Y34-I38 PolarHBondContact O-N 2.99Å; Y34-L66 HydrophobicContact CD1-CD1 3.9Å; Y34-L66 HydrophobicContact CD1-CD2 3.72Å; Y34-L66 HydrophobicContact CD1-CG 4.49Å; Y34-L66 HydrophobicContact CE1-CD1 3.9Å; Y34-L66 HydrophobicContact CE1-CD2 4.49Å; Y34-L66 HydrophobicContact CG-CD2 3.86Å; Y34-A129 PolarHBondContact OH-O 3.12Å; Y34-E130 HydrophobicContact CE2-CG 4.14Å; Y34-I160 HydrophobicContact CD1-CG2 4.09Å; Y34-I160 HydrophobicContact CE1-CG2 4.31Å; Y34-P161 WeakPolarHBondContact OH-CD 3.22Å; Y34-M286 HydrophobicContact CD1-CE 3.91Å; Y34-M286 HydrophobicContact CD2-CE 3.74Å; Y34-M286 HydrophobicContact CE1-CE 4.04Å; Y34-M286 HydrophobicContact CE2-CE 3.87Å; Y34-M286 HydrophobicContact CG-CE 3.77Å; Y34-I295 HydrophobicContact CD2-CD1 3.92Å; Y34-I295 HydrophobicContact CE2-CD1 3.75Å
35	R	98.3	Very high	96.6	Very high	51 Å²	51	32.1 Å²	32.1	19%	0.192	16%	0.157	C	C	.	.	H	α-helix	trans	-56.8	-49.1	178	-174.8	-176.2	54.2	67.8	12	111.8	N31 H32 A37 I38 E39 M69 E569	N31-R35 PolarHBondContact O-N 2.97Å; H32-R35 PolarHBondContact CE1-NH2 3.01Å; H32-R35 PolarHBondContact ND1-NH2 2.93Å; H32-R35 PolarHBondContact O-N 3.25Å; R35-A37 VanDerWaalsContact C-N 3.31Å; R35-A37 PolarHBondContact O-N 2.71Å; R35-I38 PolarHBondContact O-N 3.12Å; R35-E39 HydrophobicContact CG-CG 4.47Å; R35-E39 IonicContact CZ-OE1 2.82Å; R35-E39 IonicContact NH1-OE1 3.1Å; R35-E39 PolarHBondContact NH1-OE1 2.78Å; R35-E39 IonicContact NH1-OE2 2.72Å; R35-E39 WeakPolarHBondContact O-CB 3.41Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 3.12Å; R35-M69 HydrophobicContact CB-CE 4.3Å; R35-M69 HydrophobicContact CB-CG 4.29Å; R35-M69 HydrophobicContact CB-SD 3.71Å; R35-M69 HydrophobicContact CG-CG 4.31Å; R35-M69 HydrophobicContact CG-SD 4.37Å; R35-E569 WeakPolarHBondContact CD-OE2 3.48Å; R35-E569 IonicContact CZ-OE2 3.78Å; R35-E569 IonicContact NE-OE2 3.72Å; R35-E569 PolarHBondContact NE-OE2 3.39Å; R35-E569 IonicContact NH2-OE2 3.29Å
36	L	98.4	Very high	96.9	Very high	57 Å²	57	34.4 Å²	34.4	30%	0.298	17%	0.167	S	C	.	.	H	α-helix	trans	-59.7	-41.1	179.4	-71.6	-179	0	0	0	112.2	H32 K33 Y34 H40 V292	H32-L36 WeakPolarHBondContact O-CG 3.33Å; H32-L36 PolarHBondContact O-N 3.38Å; K33-L36 PolarHBondContact O-N 3.28Å; Y34-L36 PolarHBondContact O-N 2.96Å; L36-H40 VanDerWaalsContact O-CB 3.26Å; L36-H40 WeakPolarHBondContact O-CB 3.45Å; L36-H40 PolarHBondContact O-N 3.24Å; L36-V292 HydrophobicContact CB-CG1 4.01Å; L36-V292 HydrophobicContact CB-CG2 3.81Å
37	A	98.6	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.4	-39.1	-179.1	0	0	0	0	0	112.2	K33 Y34 R35 T41 I160 M286 E287 V292	K33-A37 WeakPolarHBondContact O-CB 3.42Å; K33-A37 PolarHBondContact O-N 3Å; Y34-A37 PolarHBondContact O-N 3.49Å; R35-A37 VanDerWaalsContact C-N 3.31Å; R35-A37 PolarHBondContact O-N 2.71Å; A37-T41 VanDerWaalsContact O-CB 3.25Å; A37-T41 WeakPolarHBondContact O-CB 3.42Å; A37-T41 PolarHBondContact O-N 2.73Å; A37-T41 PolarHBondContact O-OG1 3.16Å; A37-I160 HydrophobicContact CB-CG2 3.78Å; A37-M286 HydrophobicContact CB-CB 3.62Å; A37-E287 HydrophobicContact CB-CG 4.32Å; A37-V292 HydrophobicContact CB-CB 4.46Å; A37-V292 HydrophobicContact CB-CG1 4.49Å; A37-V292 HydrophobicContact CB-CG2 4.18Å
38	I	98.7	Very high	97.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-51.6	173.1	-70.4	169.9	0	0	0	110.1	Y34 R35 H40 T41 I42 L66 M69 A70 A73 V128 I160	Y34-I38 WeakPolarHBondContact O-CB 3.48Å; Y34-I38 VanDerWaalsContact O-CG1 3.24Å; Y34-I38 WeakPolarHBondContact O-CG1 3.37Å; Y34-I38 PolarHBondContact O-N 2.99Å; R35-I38 PolarHBondContact O-N 3.12Å; I38-H40 PolarHBondContact O-N 3.03Å; I38-T41 PolarHBondContact O-N 3.41Å; I38-I42 HydrophobicContact CG2-CD1 3.7Å; I38-I42 WeakPolarHBondContact O-CB 3.46Å; I38-I42 WeakPolarHBondContact O-CG1 3.31Å; I38-I42 PolarHBondContact O-N 2.96Å; I38-L66 HydrophobicContact CD1-CB 4.34Å; I38-L66 HydrophobicContact CD1-CD2 4.23Å; I38-M69 HydrophobicContact CD1-CB 3.96Å; I38-M69 HydrophobicContact CD1-SD 4.14Å; I38-M69 HydrophobicContact CG2-CB 4.46Å; I38-A70 HydrophobicContact CG2-CB 4.03Å; I38-A73 HydrophobicContact CG2-CB 3.99Å; I38-V128 HydrophobicContact CD1-CG1 4.01Å; I38-V128 HydrophobicContact CG1-CG1 3.83Å; I38-I160 HydrophobicContact CB-CD1 4.31Å; I38-I160 HydrophobicContact CG1-CD1 3.79Å; I38-I160 HydrophobicContact CG1-CG2 4.45Å
39	E	98.3	Very high	97.5	Very high	46 Å²	46	46.3 Å²	46.3	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-48	177.1	-77.6	-174.6	-149.5	0	0	112.4	R35 K43 A73	R35-E39 HydrophobicContact CG-CG 4.47Å; R35-E39 IonicContact CZ-OE1 2.82Å; R35-E39 IonicContact NH1-OE1 3.1Å; R35-E39 PolarHBondContact NH1-OE1 2.78Å; R35-E39 IonicContact NH1-OE2 2.72Å; R35-E39 WeakPolarHBondContact O-CB 3.41Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 3.12Å; E39-K43 WeakPolarHBondContact O-CB 3.5Å; E39-K43 WeakPolarHBondContact O-CD 3.49Å; E39-K43 WeakPolarHBondContact O-CG 3.43Å; E39-K43 PolarHBondContact O-N 3.45Å; E39-K43 IonicContact OE2-NZ 3.96Å; E39-K43 PolarHBondContact OE2-NZ 3.07Å; E39-A73 HydrophobicContact CB-CB 4.42Å; E39-A73 HydrophobicContact CG-CB 3.94Å
40	H	98.2	Very high	97.3	Very high	53 Å²	53	48 Å²	48	25%	0.245	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-47.6	-179.3	-177.1	82.5	0	0	0	111.2	L36 I38 R44 E287 T289 T291	L36-H40 VanDerWaalsContact O-CB 3.26Å; L36-H40 WeakPolarHBondContact O-CB 3.45Å; L36-H40 PolarHBondContact O-N 3.24Å; I38-H40 PolarHBondContact O-N 3.03Å; H40-R44 VanDerWaalsContact O-CB 3.25Å; H40-R44 WeakPolarHBondContact O-CB 3.5Å; H40-R44 PolarHBondContact O-N 3.25Å; H40-E287 IonicContact CD2-OE2 2.87Å; H40-E287 IonicContact NE2-OE2 2.68Å; H40-T289 PolarHBondContact NE2-OG1 3.34Å; H40-T291 PolarHBondContact CE1-OG1 3.33Å
41	T	98.4	Very high	97.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-47.9	-178.5	-62.8	0	0	0	0	111.8	A37 I38 R44 L45 V126 I160	A37-T41 VanDerWaalsContact O-CB 3.25Å; A37-T41 WeakPolarHBondContact O-CB 3.42Å; A37-T41 PolarHBondContact O-N 2.73Å; A37-T41 PolarHBondContact O-OG1 3.16Å; I38-T41 PolarHBondContact O-N 3.41Å; T41-R44 PolarHBondContact O-N 2.95Å; T41-L45 HydrophobicContact CG2-CD1 4.11Å; T41-L45 WeakPolarHBondContact O-CG 3.4Å; T41-L45 PolarHBondContact O-N 2.92Å; T41-V126 HydrophobicContact CG2-CG2 4.43Å; T41-I160 HydrophobicContact CG2-CD1 4.22Å
42	I	98.4	Very high	97.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-44.9	-178.1	-66.8	174.4	0	0	0	110.8	I38 R44 L45 K46 V54 V56 A70 A73 A75	I38-I42 HydrophobicContact CG2-CD1 3.7Å; I38-I42 WeakPolarHBondContact O-CB 3.46Å; I38-I42 WeakPolarHBondContact O-CG1 3.31Å; I38-I42 PolarHBondContact O-N 2.96Å; I42-R44 VanDerWaalsContact C-N 3.31Å; I42-R44 PolarHBondContact O-N 2.92Å; I42-L45 PolarHBondContact O-N 3.23Å; I42-K46 HydrophobicContact CG2-CG 4.35Å; I42-K46 WeakPolarHBondContact O-CB 3.37Å; I42-K46 WeakPolarHBondContact O-CG 3.37Å; I42-K46 PolarHBondContact O-N 2.94Å; I42-V54 HydrophobicContact CG1-CG1 4.09Å; I42-V54 HydrophobicContact CG2-CG1 4.33Å; I42-V56 HydrophobicContact CD1-CG2 4.24Å; I42-A70 HydrophobicContact CD1-CB 4.08Å; I42-A70 WeakPolarHBondContact CD1-O 3.44Å; I42-A73 HydrophobicContact CB-CB 4.18Å; I42-A73 HydrophobicContact CD1-CB 3.73Å; I42-A73 HydrophobicContact CG1-CB 4.48Å; I42-A73 HydrophobicContact CG2-CB 4.39Å; I42-A73 VanDerWaalsContact CG2-O 3.27Å; I42-A73 WeakPolarHBondContact CG2-O 3.42Å; I42-A75 HydrophobicContact CD1-CB 4.09Å
43	K	97.4	Very high	97.2	Very high	104 Å²	104	59.8 Å²	59.8	45%	0.452	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-44.2	175.7	-73.5	168.1	-177.4	163.3	0	111.2	E39 K46 Q47	E39-K43 WeakPolarHBondContact O-CB 3.5Å; E39-K43 WeakPolarHBondContact O-CD 3.49Å; E39-K43 WeakPolarHBondContact O-CG 3.43Å; E39-K43 PolarHBondContact O-N 3.45Å; E39-K43 IonicContact OE2-NZ 3.96Å; E39-K43 PolarHBondContact OE2-NZ 3.07Å; K43-K46 PolarHBondContact O-N 3.24Å; K43-Q47 WeakPolarHBondContact O-CB 3.47Å; K43-Q47 VanDerWaalsContact O-CG 3.24Å; K43-Q47 WeakPolarHBondContact O-CG 3.39Å; K43-Q47 PolarHBondContact O-N 2.95Å
44	R	97	Very high	97.2	Very high	46 Å²	46	59.2 Å²	59.2	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-47.4	176.5	-179.6	177.4	59.9	73.3	-0.7	111.7	H40 T41 I42 Q47 Q48 S158	H40-R44 VanDerWaalsContact O-CB 3.25Å; H40-R44 WeakPolarHBondContact O-CB 3.5Å; H40-R44 PolarHBondContact O-N 3.25Å; T41-R44 PolarHBondContact O-N 2.95Å; I42-R44 VanDerWaalsContact C-N 3.31Å; I42-R44 PolarHBondContact O-N 2.92Å; R44-Q47 PolarHBondContact O-N 3.47Å; R44-Q48 HydrophobicContact CG-CG 4.32Å; R44-Q48 VanDerWaalsContact NH1-OE1 3.12Å; R44-Q48 WeakPolarHBondContact O-CB 3.19Å; R44-Q48 WeakPolarHBondContact O-CG 3.41Å; R44-Q48 PolarHBondContact O-N 2.91Å; R44-S158 PolarHBondContact NH2-OG 3.07Å
45	L	97.5	Very high	97.2	Very high	17 Å²	17	59.6 Å²	59.6	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-42.5	178.9	-72.2	173.8	0	0	0	112.1	T41 I42 Q47 Q48 Y49 V54 V126	T41-L45 HydrophobicContact CG2-CD1 4.11Å; T41-L45 WeakPolarHBondContact O-CG 3.4Å; T41-L45 PolarHBondContact O-N 2.92Å; I42-L45 PolarHBondContact O-N 3.23Å; L45-Q47 VanDerWaalsContact C-N 3.3Å; L45-Q47 PolarHBondContact O-N 2.6Å; L45-Q48 PolarHBondContact O-N 3.08Å; L45-Y49 HydrophobicContact CD2-CD2 4.29Å; L45-Y49 HydrophobicContact CD2-CE2 4.47Å; L45-Y49 WeakPolarHBondContact O-CA 3.5Å; L45-Y49 PolarHBondContact O-N 2.83Å; L45-V54 HydrophobicContact CB-CG2 4.14Å; L45-V126 HydrophobicContact CD1-CG2 3.33Å
46	K	97.1	Very high	97.2	Very high	62 Å²	62	57.1 Å²	57.1	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-34.2	175.2	-72.8	-66.4	-163.1	175.2	0	113.1	I42 K43 P50 V54 G74 D76	I42-K46 HydrophobicContact CG2-CG 4.35Å; I42-K46 WeakPolarHBondContact O-CB 3.37Å; I42-K46 WeakPolarHBondContact O-CG 3.37Å; I42-K46 PolarHBondContact O-N 2.94Å; K43-K46 PolarHBondContact O-N 3.24Å; K46-P50 VanDerWaalsContact O-CA 3.24Å; K46-P50 WeakPolarHBondContact O-CA 3.27Å; K46-P50 WeakPolarHBondContact O-CG 3.33Å; K46-V54 HydrophobicContact CD-CG2 3.94Å; K46-V54 HydrophobicContact CG-CG2 4.13Å; K46-G74 WeakPolarHBondContact CE-O 3.24Å; K46-D76 WeakPolarHBondContact CE-OD2 3.37Å; K46-D76 IonicContact NZ-OD1 2.7Å; K46-D76 PolarHBondContact NZ-OD1 2.92Å; K46-D76 IonicContact NZ-OD2 2.6Å; K46-D76 PolarHBondContact NZ-OD2 3.32Å
47	Q	96.5	Very high	97.2	Very high	154 Å²	154	54.4 Å²	54.4	72%	0.72	26%	0.264	S	S	*	.	H	α-helix	trans	-75.3	-42.5	176.2	-73.1	170.3	0.3	0	0	112.3	K43 R44 L45	K43-Q47 WeakPolarHBondContact O-CB 3.47Å; K43-Q47 VanDerWaalsContact O-CG 3.24Å; K43-Q47 WeakPolarHBondContact O-CG 3.39Å; K43-Q47 PolarHBondContact O-N 2.95Å; R44-Q47 PolarHBondContact O-N 3.47Å; L45-Q47 VanDerWaalsContact C-N 3.3Å; L45-Q47 PolarHBondContact O-N 2.6Å
48	Q	95.7	Very high	97.2	Very high	104 Å²	104	54.5 Å²	54.5	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-74.3	-37.7	-178.2	-72.3	-179.4	-28	0	0	112.3	R44 L45	R44-Q48 HydrophobicContact CG-CG 4.32Å; R44-Q48 VanDerWaalsContact NH1-OE1 3.12Å; R44-Q48 WeakPolarHBondContact O-CB 3.19Å; R44-Q48 WeakPolarHBondContact O-CG 3.41Å; R44-Q48 PolarHBondContact O-N 2.91Å; L45-Q48 PolarHBondContact O-N 3.08Å
49	Y	95.9	Very high	97.2	Very high	118 Å²	118	54.7 Å²	54.7	46%	0.463	27%	0.265	S	S	.	.			trans	-133.4	69.6	-176.1	-50.2	-74.3	0	0	0	111.3	L45 Q51 N52	L45-Y49 HydrophobicContact CD2-CD2 4.29Å; L45-Y49 HydrophobicContact CD2-CE2 4.47Å; L45-Y49 WeakPolarHBondContact O-CA 3.5Å; L45-Y49 PolarHBondContact O-N 2.83Å; Y49-Q51 PolarHBondContact O-N 2.85Å; Y49-N52 PolarHBondContact O-N 2.91Å
50	P	92.7	Very high	97.1	Very high	85 Å²	85	53.9 Å²	53.9	55%	0.552	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.8	-172.3	-23.2	32.8	0	0	0	115.3	K46	K46-P50 VanDerWaalsContact O-CA 3.24Å; K46-P50 WeakPolarHBondContact O-CA 3.27Å; K46-P50 WeakPolarHBondContact O-CG 3.33Å
51	Q	94.9	Very high	97	Very high	175 Å²	175	51.8 Å²	51.8	82%	0.818	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.5	179.9	-58.4	-56.9	-44.7	0	0	113.1	Y49	Y49-Q51 PolarHBondContact O-N 2.85Å
52	N	95.4	Very high	96.8	Very high	82 Å²	82	52.7 Å²	52.7	44%	0.439	27%	0.269	S	S	.	.	S	Bend	trans	-92.5	124.4	-179.1	-69.2	16.9	0	0	0	109.1	Y49 V54	Y49-N52 PolarHBondContact O-N 2.91Å; N52-V54 PolarHBondContact O-N 3.34Å
53	P	96.7	Very high	96.6	Very high	87 Å²	87	53.2 Å²	53.2	57%	0.565	27%	0.273	S	S	*	.			trans	-64.5	138.1	172.8	26.8	-32.7	0	0	0	110.2	D76 N125	P53-D76 WeakPolarHBondContact CA-OD2 3.25Å; P53-D76 HydrophobicContact CB-CB 4.24Å; P53-N125 PolarHBondContact O-ND2 2.74Å
54	V	98.2	Very high	96.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.251	C	S	.	.			trans	-90.3	102	172.6	-179.2	0	0	0	0	107.2	I42 L45 K46 N52 V56 D76 L77 V126	I42-V54 HydrophobicContact CG1-CG1 4.09Å; I42-V54 HydrophobicContact CG2-CG1 4.33Å; L45-V54 HydrophobicContact CB-CG2 4.14Å; K46-V54 HydrophobicContact CD-CG2 3.94Å; K46-V54 HydrophobicContact CG-CG2 4.13Å; N52-V54 PolarHBondContact O-N 3.34Å; V54-V56 HydrophobicContact CG1-CG2 4.13Å; V54-D76 PolarHBondContact N-OD2 2.93Å; V54-D76 PolarHBondContact O-N 2.84Å; V54-L77 PolarHBondContact O-N 3.02Å; V54-V126 HydrophobicContact CG1-CG2 3.91Å
55	H	98.2	Very high	96.6	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.032	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.8	175	177.3	-156.2	0	0	0	108.7	L77 T79 C122 A124 N125 V126	H55-L77 WeakPolarHBondContact CA-O 3.38Å; H55-T79 PolarHBondContact NE2-OG1 3.11Å; H55-C122 PolarHBondContact CE1-O 3.41Å; H55-C122 PolarHBondContact ND1-O 3.48Å; H55-A124 WeakPolarHBondContact O-CA 3.48Å; H55-A124 WeakPolarHBondContact O-CB 3.46Å; H55-N125 PolarHBondContact N-OD1 3.26Å; H55-N125 PolarHBondContact O-N 3.4Å; H55-N125 VanDerWaalsContact O-N 3.1Å; H55-N125 PolarHBondContact O-OD1 2.9Å; H55-N125 VanDerWaalsContact O-OD1 3.07Å; H55-V126 PolarHBondContact O-N 2.62Å
56	V	98.8	Very high	96.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.3	179.8	-175.6	0	0	0	0	109.3	I42 V54 A70 A75 L77 V78 T79 V126 V128	I42-V56 HydrophobicContact CD1-CG2 4.24Å; V54-V56 HydrophobicContact CG1-CG2 4.13Å; V56-A70 HydrophobicContact CB-CB 4.4Å; V56-A70 HydrophobicContact CG1-CB 4.16Å; V56-A70 HydrophobicContact CG2-CB 4.1Å; V56-A75 HydrophobicContact CG2-CB 3.7Å; V56-L77 PolarHBondContact N-O 3.34Å; V56-V78 HydrophobicContact CB-CG1 4.32Å; V56-V78 HydrophobicContact CB-CG2 4.18Å; V56-V78 CarbonylContact O-C 3.54Å; V56-V78 WeakPolarHBondContact O-CA 3.34Å; V56-T79 PolarHBondContact O-N 3.39Å; V56-V126 CarbonylContact C-O 3.6Å; V56-V126 WeakPolarHBondContact CA-O 3.4Å; V56-V126 HydrophobicContact CB-CB 4.45Å; V56-V126 HydrophobicContact CG1-CB 4.45Å; V56-V126 HydrophobicContact CG1-CG1 4.18Å; V56-V126 HydrophobicContact CG2-CB 4.01Å; V56-V126 HydrophobicContact CG2-CG1 4.2Å; V56-V128 HydrophobicContact CG1-CG1 4.11Å; V56-V128 HydrophobicContact CG1-CG2 3.88Å
57	L	98.8	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.5	164.2	176.9	62.5	0	0	0	108.5	I59 T79 L114 M120 A124 V126 L127 V128 L152 L153	L57-I59 HydrophobicContact CD1-CG1 4.38Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.01Å; L57-I59 HydrophobicContact CG-CD1 4.38Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; L57-T79 CarbonylContact C-O 3.6Å; L57-T79 VanDerWaalsContact CA-O 3.3Å; L57-T79 WeakPolarHBondContact CA-O 3.14Å; L57-T79 HydrophobicContact CD1-CG2 4.37Å; L57-T79 WeakPolarHBondContact CD1-O 3.46Å; L57-L114 HydrophobicContact CD1-CD1 4.09Å; L57-M120 HydrophobicContact CB-CE 4.35Å; L57-M120 HydrophobicContact CD1-CE 4.11Å; L57-M120 HydrophobicContact CD1-SD 4.16Å; L57-M120 HydrophobicContact CD2-CE 4.15Å; L57-M120 HydrophobicContact CD2-SD 4.46Å; L57-M120 HydrophobicContact CG-CE 4.44Å; L57-A124 HydrophobicContact CB-CB 3.62Å; L57-V126 PolarHBondContact N-O 3Å; L57-L127 HydrophobicContact CB-CD1 4.29Å; L57-L127 HydrophobicContact CD2-CD1 4.21Å; L57-L127 HydrophobicContact CG-CD1 4.09Å; L57-L127 WeakPolarHBondContact O-CA 3.45Å; L57-L127 WeakPolarHBondContact O-CD1 3.17Å; L57-V128 PolarHBondContact O-N 3.4Å; L57-L152 HydrophobicContact CD2-CB 3.8Å; L57-L152 HydrophobicContact CD2-CD1 3.79Å; L57-L152 HydrophobicContact CD2-CG 4.46Å; L57-L153 HydrophobicContact CD2-CD2 4.15Å
58	D	98.8	Very high	96.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.3	174.8	-176.2	10.3	0	0	0	109.2	T61 S67 V78 T79 A80 C81 V128	D58-T61 WeakPolarHBondContact OD2-CB 3.36Å; D58-T61 PolarHBondContact OD2-OG1 2.83Å; D58-S67 VanDerWaalsContact CB-OG 3.27Å; D58-S67 WeakPolarHBondContact CB-OG 3.25Å; D58-S67 WeakPolarHBondContact OD2-CB 3.25Å; D58-S67 PolarHBondContact OD2-N 3.46Å; D58-S67 PolarHBondContact OD2-OG 3.37Å; D58-V78 HydrophobicContact CB-CG1 4.48Å; D58-T79 PolarHBondContact N-O 3.19Å; D58-A80 HydrophobicContact CB-CB 4.15Å; D58-A80 CarbonylContact O-C 3.58Å; D58-A80 WeakPolarHBondContact O-CA 3.02Å; D58-C81 PolarHBondContact O-N 3.35Å; D58-V128 WeakPolarHBondContact CA-O 3.31Å; D58-V128 HydrophobicContact CB-CG2 3.67Å
59	I	98.5	Very high	96.9	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.4	-176.9	-59.6	177.7	0	0	0	110.1	L57 L127 V128 A129 L131 T144 A148	L57-I59 HydrophobicContact CD1-CG1 4.38Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.01Å; L57-I59 HydrophobicContact CG-CD1 4.38Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; I59-L127 HydrophobicContact CB-CD1 4.39Å; I59-L127 HydrophobicContact CD1-CD1 3.57Å; I59-L127 HydrophobicContact CD1-CD2 4.44Å; I59-L127 HydrophobicContact CG1-CD1 3.66Å; I59-V128 PolarHBondContact N-O 3.43Å; I59-A129 HydrophobicContact CB-CB 4.31Å; I59-L131 HydrophobicContact CB-CD1 4.48Å; I59-L131 HydrophobicContact CG2-CD1 3.98Å; I59-T144 HydrophobicContact CD1-CG2 4.01Å; I59-T144 HydrophobicContact CG2-CG2 3.7Å; I59-A148 HydrophobicContact CD1-CB 3.95Å
60	G	95.7	Very high	97	Very high	29 Å²	29	25.7 Å²	25.7	30%	0.299	15%	0.153	S	C	.	.	S	Bend	trans	73.5	52.1	-173.9	0	0	0	0	0	109.7	G62 C81	G60-G62 PolarHBondContact O-N 3.14Å; G60-G62 VanDerWaalsContact O-N 3.08Å; G60-C81 WeakPolarHBondContact CA-O 3.39Å; G60-C81 PolarHBondContact N-O 3.35Å
61	T	96.5	Very high	97.3	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.055	13%	0.129	C	C	.	.			trans	-63.3	-21.6	-167.2	-165.3	0	0	0	0	113.2	D58 T63 G64 S67 A80 C81 E82 V106	D58-T61 WeakPolarHBondContact OD2-CB 3.36Å; D58-T61 PolarHBondContact OD2-OG1 2.83Å; T61-T63 PolarHBondContact O-N 2.84Å; T61-G64 PolarHBondContact O-N 3.34Å; T61-G64 WeakPolarHBondContact OG1-CA 3.26Å; T61-S67 PolarHBondContact OG1-OG 2.86Å; T61-A80 HydrophobicContact CG2-CB 3.9Å; T61-C81 PolarHBondContact N-O 3.39Å; T61-E82 HydrophobicContact CG2-CB 3.72Å; T61-V106 HydrophobicContact CG2-CG1 4.33Å
62	G	94.3	Very high	97.4	Very high	19 Å²	19	18.7 Å²	18.7	20%	0.196	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-114	-179.3	0	0	0	0	0	110.7	G60 G64 E82 M87 A91	G60-G62 PolarHBondContact O-N 3.14Å; G60-G62 VanDerWaalsContact O-N 3.08Å; G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 2.99Å; G62-E82 PolarHBondContact N-OE2 3.46Å; G62-E82 VanDerWaalsContact N-OE2 3.16Å; G62-M87 WeakPolarHBondContact O-CG 3.42Å; G62-A91 WeakPolarHBondContact O-CB 3.28Å
63	T	94.2	Very high	97.5	Very high	12 Å²	12	15.5 Å²	15.5	7%	0.074	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.6	178.6	56.8	0	0	0	0	114.9	L25 T61 L65 M87 I94 F576	L25-T63 HydrophobicContact CD1-CG2 4.1Å; T61-T63 PolarHBondContact O-N 2.84Å; T63-L65 VanDerWaalsContact C-N 3.34Å; T63-M87 HydrophobicContact CG2-SD 4.31Å; T63-I94 HydrophobicContact CG2-CD1 4.12Å; T63-F576 HydrophobicContact CG2-CB 4.04Å; T63-F576 HydrophobicContact CG2-CD2 3.5Å; T63-F576 VanDerWaalsContact CG2-CD2 3.5Å; T63-F576 HydrophobicContact CG2-CE2 4.07Å; T63-F576 HydrophobicContact CG2-CG 3.83Å
64	G	96.8	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	8.5	-171.8	0	0	0	0	0	114	T61 G62 L66 S67 M68	T61-G64 PolarHBondContact O-N 3.34Å; T61-G64 WeakPolarHBondContact OG1-CA 3.26Å; G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 2.99Å; G64-L66 PolarHBondContact O-N 2.97Å; G64-S67 WeakPolarHBondContact O-CB 3.36Å; G64-S67 PolarHBondContact O-N 2.72Å; G64-M68 WeakPolarHBondContact O-CG 3.22Å; G64-M68 PolarHBondContact O-N 3.15Å
65	L	96.8	Very high	97.5	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-52.4	-173.7	179	65	0	0	0	112.8	L25 T63 S67 M68 M69 C568 F571	L25-L65 HydrophobicContact CD2-CD2 3.91Å; T63-L65 VanDerWaalsContact C-N 3.34Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.89Å; L65-M68 PolarHBondContact O-N 3.45Å; L65-M69 HydrophobicContact CD1-CE 3.8Å; L65-M69 HydrophobicContact CD2-CE 3.85Å; L65-M69 HydrophobicContact CG-CE 3.57Å; L65-M69 WeakPolarHBondContact O-CG 3.5Å; L65-M69 PolarHBondContact O-N 3.37Å; L65-C568 VanDerWaalsContact CD2-SG 3.56Å; L65-F571 HydrophobicContact CD1-CD2 3.52Å; L65-F571 HydrophobicContact CD1-CE2 3.98Å; L65-F571 HydrophobicContact CD1-CG 4.45Å
66	L	98.2	Very high	97.4	Very high	16 Å²	16	16.8 Å²	16.8	8%	0.084	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-37.2	-179.1	-59.7	-172.7	0	0	0	111.7	Y34 I38 G64 M69 A70 V128 E130	Y34-L66 HydrophobicContact CD1-CD1 3.9Å; Y34-L66 HydrophobicContact CD1-CD2 3.72Å; Y34-L66 HydrophobicContact CD1-CG 4.49Å; Y34-L66 HydrophobicContact CE1-CD1 3.9Å; Y34-L66 HydrophobicContact CE1-CD2 4.49Å; Y34-L66 HydrophobicContact CG-CD2 3.86Å; I38-L66 HydrophobicContact CD1-CB 4.34Å; I38-L66 HydrophobicContact CD1-CD2 4.23Å; G64-L66 PolarHBondContact O-N 2.97Å; L66-M69 HydrophobicContact CD2-CE 4.33Å; L66-M69 HydrophobicContact CD2-SD 3.86Å; L66-M69 WeakPolarHBondContact O-CB 3.44Å; L66-M69 PolarHBondContact O-N 2.96Å; L66-A70 WeakPolarHBondContact O-CB 3.38Å; L66-A70 PolarHBondContact O-N 3.16Å; L66-V128 HydrophobicContact CB-CG2 4.06Å; L66-V128 HydrophobicContact CD1-CB 4.39Å; L66-E130 HydrophobicContact CD1-CB 4.24Å
67	S	98.6	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-44.9	172.4	-72.7	0	0	0	0	112.8	D58 T61 G64 L65 A70 V71 V78	D58-S67 VanDerWaalsContact CB-OG 3.27Å; D58-S67 WeakPolarHBondContact CB-OG 3.25Å; D58-S67 WeakPolarHBondContact OD2-CB 3.25Å; D58-S67 PolarHBondContact OD2-N 3.46Å; D58-S67 PolarHBondContact OD2-OG 3.37Å; T61-S67 PolarHBondContact OG1-OG 2.86Å; G64-S67 WeakPolarHBondContact O-CB 3.36Å; G64-S67 PolarHBondContact O-N 2.72Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.89Å; S67-A70 WeakPolarHBondContact O-CB 3.24Å; S67-A70 PolarHBondContact O-N 3.3Å; S67-V71 PolarHBondContact O-N 2.97Å; S67-V71 VanDerWaalsContact O-N 3.07Å; S67-V78 WeakPolarHBondContact OG-CG1 3.49Å
68	M	98.4	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-40.1	176.6	-67.3	-171.5	-70.1	0	0	112	G64 L65 A70 V71 N72 I94 L95 N98 F100 I104 F571 L573	G64-M68 WeakPolarHBondContact O-CG 3.22Å; G64-M68 PolarHBondContact O-N 3.15Å; L65-M68 PolarHBondContact O-N 3.45Å; M68-A70 VanDerWaalsContact C-N 3.29Å; M68-A70 PolarHBondContact O-N 2.9Å; M68-V71 PolarHBondContact O-N 3.23Å; M68-N72 PolarHBondContact O-N 3.49Å; M68-I94 HydrophobicContact CE-CG2 3.57Å; M68-I94 HydrophobicContact SD-CG2 4.04Å; M68-L95 HydrophobicContact CG-CD2 3.45Å; M68-L95 VanDerWaalsContact CG-CD2 3.45Å; M68-L95 HydrophobicContact SD-CD2 3.97Å; M68-N98 HydrophobicContact SD-CB 3.75Å; M68-F100 HydrophobicContact CB-CD2 4.07Å; M68-F100 HydrophobicContact CB-CE2 4.01Å; M68-F100 HydrophobicContact CG-CD2 3.56Å; M68-F100 HydrophobicContact CG-CE2 3.96Å; M68-F100 HydrophobicContact CG-CG 4.35Å; M68-F100 HydrophobicContact SD-CD2 3.71Å; M68-F100 HydrophobicContact SD-CE2 4.02Å; M68-I104 HydrophobicContact CG-CD1 4.08Å; M68-F571 HydrophobicContact CB-CD1 4.04Å; M68-F571 HydrophobicContact CB-CE1 3.54Å; M68-F571 HydrophobicContact CB-CE2 4.24Å; M68-F571 HydrophobicContact CB-CZ 3.63Å; M68-F571 HydrophobicContact CE-CB 3.85Å; M68-F571 HydrophobicContact CE-CD1 3.95Å; M68-F571 HydrophobicContact CE-CD2 4.27Å; M68-F571 HydrophobicContact CE-CG 3.76Å; M68-F571 HydrophobicContact CG-CE1 4.42Å; M68-F571 HydrophobicContact SD-CD1 3.77Å; M68-F571 HydrophobicContact SD-CE1 4.21Å; M68-F571 HydrophobicContact SD-CG 4.22Å; M68-L573 HydrophobicContact CE-CD2 4.11Å
69	M	98.3	Very high	97.3	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-41.9	172.6	-65.9	175.6	-173	0	0	111.6	N31 R35 I38 L65 L66 N72 A73 E569 F571	N31-M69 HydrophobicContact CB-CE 4.4Å; R35-M69 HydrophobicContact CB-CE 4.3Å; R35-M69 HydrophobicContact CB-CG 4.29Å; R35-M69 HydrophobicContact CB-SD 3.71Å; R35-M69 HydrophobicContact CG-CG 4.31Å; R35-M69 HydrophobicContact CG-SD 4.37Å; I38-M69 HydrophobicContact CD1-CB 3.96Å; I38-M69 HydrophobicContact CD1-SD 4.14Å; I38-M69 HydrophobicContact CG2-CB 4.46Å; L65-M69 HydrophobicContact CD1-CE 3.8Å; L65-M69 HydrophobicContact CD2-CE 3.85Å; L65-M69 HydrophobicContact CG-CE 3.57Å; L65-M69 WeakPolarHBondContact O-CG 3.5Å; L65-M69 PolarHBondContact O-N 3.37Å; L66-M69 HydrophobicContact CD2-CE 4.33Å; L66-M69 HydrophobicContact CD2-SD 3.86Å; L66-M69 WeakPolarHBondContact O-CB 3.44Å; L66-M69 PolarHBondContact O-N 2.96Å; M69-N72 PolarHBondContact O-N 3.4Å; M69-A73 WeakPolarHBondContact O-CB 3.28Å; M69-A73 PolarHBondContact O-N 3.35Å; M69-E569 HydrophobicContact CE-CB 4.21Å; M69-E569 HydrophobicContact CE-CG 3.59Å; M69-F571 HydrophobicContact CG-CE2 3.96Å; M69-F571 HydrophobicContact CG-CZ 4.41Å
70	A	98.6	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-43.1	178.6	0	0	0	0	0	112.8	I38 I42 V56 L66 S67 M68 A73 G74 A75 V78	I38-A70 HydrophobicContact CG2-CB 4.03Å; I42-A70 HydrophobicContact CD1-CB 4.08Å; I42-A70 WeakPolarHBondContact CD1-O 3.44Å; V56-A70 HydrophobicContact CB-CB 4.4Å; V56-A70 HydrophobicContact CG1-CB 4.16Å; V56-A70 HydrophobicContact CG2-CB 4.1Å; L66-A70 WeakPolarHBondContact O-CB 3.38Å; L66-A70 PolarHBondContact O-N 3.16Å; S67-A70 WeakPolarHBondContact O-CB 3.24Å; S67-A70 PolarHBondContact O-N 3.3Å; M68-A70 VanDerWaalsContact C-N 3.29Å; M68-A70 PolarHBondContact O-N 2.9Å; A70-A73 PolarHBondContact O-N 2.9Å; A70-G74 PolarHBondContact O-N 3.38Å; A70-A75 HydrophobicContact CB-CB 4.27Å; A70-A75 WeakPolarHBondContact O-CB 3.49Å; A70-A75 PolarHBondContact O-N 3.45Å; A70-V78 HydrophobicContact CB-CG2 4.17Å
71	V	98.1	Very high	97.4	Very high	9 Å²	9	18 Å²	18	6%	0.055	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-43.9	175.2	174.4	0	0	0	0	111.5	S67 M68 A73 G74 V78 F100 K103 I104	S67-V71 PolarHBondContact O-N 2.97Å; S67-V71 VanDerWaalsContact O-N 3.07Å; M68-V71 PolarHBondContact O-N 3.23Å; V71-A73 PolarHBondContact O-N 2.93Å; V71-G74 PolarHBondContact O-N 3.31Å; V71-V78 HydrophobicContact CG2-CG2 3.67Å; V71-F100 HydrophobicContact CB-CD1 4.09Å; V71-F100 HydrophobicContact CB-CE1 4.17Å; V71-F100 HydrophobicContact CG1-CD1 3.55Å; V71-F100 HydrophobicContact CG1-CE1 3.62Å; V71-K103 HydrophobicContact CG1-CB 4.25Å; V71-K103 HydrophobicContact CG1-CD 3.43Å; V71-K103 VanDerWaalsContact CG1-CD 3.43Å; V71-K103 HydrophobicContact CG1-CG 4.5Å; V71-K103 HydrophobicContact CG2-CB 4.01Å; V71-I104 HydrophobicContact CG2-CD1 3.73Å; V71-I104 HydrophobicContact CG2-CG1 3.55Å
72	N	97.1	Very high	97.4	Very high	104 Å²	104	18.7 Å²	18.7	56%	0.556	12%	0.115	S	C	*	.	H	α-helix	trans	-60.9	-34.2	175.8	-85.4	-9.6	0	0	0	112.7	M68 M69 G74 F100 F571	M68-N72 PolarHBondContact O-N 3.49Å; M69-N72 PolarHBondContact O-N 3.4Å; N72-G74 PolarHBondContact O-N 2.89Å; N72-F100 VanDerWaalsContact OD1-CZ 3.24Å; N72-F100 WeakPolarHBondContact OD1-CZ 3.19Å; N72-F571 WeakPolarHBondContact ND2-CE1 3.35Å; N72-F571 WeakPolarHBondContact ND2-CZ 2.87Å
73	A	97.7	Very high	97.4	Very high	14 Å²	14	20.7 Å²	20.7	12%	0.116	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.1	175.4	0	0	0	0	0	114.2	I38 E39 I42 M69 A70 V71	I38-A73 HydrophobicContact CG2-CB 3.99Å; E39-A73 HydrophobicContact CB-CB 4.42Å; E39-A73 HydrophobicContact CG-CB 3.94Å; I42-A73 HydrophobicContact CB-CB 4.18Å; I42-A73 HydrophobicContact CD1-CB 3.73Å; I42-A73 HydrophobicContact CG1-CB 4.48Å; I42-A73 HydrophobicContact CG2-CB 4.39Å; I42-A73 VanDerWaalsContact CG2-O 3.27Å; I42-A73 WeakPolarHBondContact CG2-O 3.42Å; M69-A73 WeakPolarHBondContact O-CB 3.28Å; M69-A73 PolarHBondContact O-N 3.35Å; A70-A73 PolarHBondContact O-N 2.9Å; V71-A73 PolarHBondContact O-N 2.93Å
74	G	97.1	Very high	97.3	Very high	33 Å²	33	22 Å²	22	34%	0.34	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	100	24	177.1	0	0	0	0	0	115.2	K46 A70 V71 N72	K46-G74 WeakPolarHBondContact CE-O 3.24Å; A70-G74 PolarHBondContact O-N 3.38Å; V71-G74 PolarHBondContact O-N 3.31Å; N72-G74 PolarHBondContact O-N 2.89Å
75	A	98	Very high	97.1	Very high	8 Å²	8	27.1 Å²	27.1	7%	0.066	16%	0.157	C	C	.	.			trans	-58.2	141	166.2	0	0	0	0	0	110.7	I42 V56 A70 V78	I42-A75 HydrophobicContact CD1-CB 4.09Å; V56-A75 HydrophobicContact CG2-CB 3.7Å; A70-A75 HydrophobicContact CB-CB 4.27Å; A70-A75 WeakPolarHBondContact O-CB 3.49Å; A70-A75 PolarHBondContact O-N 3.45Å; A75-V78 HydrophobicContact CB-CG2 4.06Å
76	D	96.8	Very high	96.9	Very high	81 Å²	81	27.9 Å²	27.9	43%	0.433	16%	0.163	S	C	.	.	S	Bend	trans	-83.2	-33.6	178.8	-59.4	-67.1	0	0	0	111.8	K46 P53 V54	K46-D76 WeakPolarHBondContact CE-OD2 3.37Å; K46-D76 IonicContact NZ-OD1 2.7Å; K46-D76 PolarHBondContact NZ-OD1 2.92Å; K46-D76 IonicContact NZ-OD2 2.6Å; K46-D76 PolarHBondContact NZ-OD2 3.32Å; P53-D76 WeakPolarHBondContact CA-OD2 3.25Å; P53-D76 HydrophobicContact CB-CB 4.24Å; V54-D76 PolarHBondContact N-OD2 2.93Å; V54-D76 PolarHBondContact O-N 2.84Å
77	L	96	Very high	96.6	Very high	58 Å²	58	27.5 Å²	27.5	30%	0.304	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	139.8	179.7	176.6	66.2	0	0	0	109.4	V54 H55 V56 P121	V54-L77 PolarHBondContact O-N 3.02Å; H55-L77 WeakPolarHBondContact CA-O 3.38Å; V56-L77 PolarHBondContact N-O 3.34Å; L77-P121 HydrophobicContact CD2-CG 3.44Å; L77-P121 VanDerWaalsContact CD2-CG 3.44Å
78	V	98.6	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.1	168.9	-173.5	0	0	0	0	109.7	V56 D58 S67 A70 V71 A75 K103 I104 N105	V56-V78 HydrophobicContact CB-CG1 4.32Å; V56-V78 HydrophobicContact CB-CG2 4.18Å; V56-V78 CarbonylContact O-C 3.54Å; V56-V78 WeakPolarHBondContact O-CA 3.34Å; D58-V78 HydrophobicContact CB-CG1 4.48Å; S67-V78 WeakPolarHBondContact OG-CG1 3.49Å; A70-V78 HydrophobicContact CB-CG2 4.17Å; V71-V78 HydrophobicContact CG2-CG2 3.67Å; A75-V78 HydrophobicContact CB-CG2 4.06Å; V78-K103 PolarHBondContact N-O 3.33Å; V78-I104 HydrophobicContact CB-CB 4.43Å; V78-I104 HydrophobicContact CB-CG1 3.97Å; V78-I104 HydrophobicContact CB-CG2 4.36Å; V78-I104 HydrophobicContact CG1-CG2 4.29Å; V78-I104 HydrophobicContact CG2-CG1 4.25Å; V78-N105 PolarHBondContact O-N 3.21Å
79	T	98.6	Very high	96.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.5	163.9	-57.2	0	0	0	0	108.2	H55 V56 L57 D58 I107 M120	H55-T79 PolarHBondContact NE2-OG1 3.11Å; V56-T79 PolarHBondContact O-N 3.39Å; L57-T79 CarbonylContact C-O 3.6Å; L57-T79 VanDerWaalsContact CA-O 3.3Å; L57-T79 WeakPolarHBondContact CA-O 3.14Å; L57-T79 HydrophobicContact CD1-CG2 4.37Å; L57-T79 WeakPolarHBondContact CD1-O 3.46Å; D58-T79 PolarHBondContact N-O 3.19Å; T79-I107 HydrophobicContact CG2-CD1 3.59Å; T79-I107 HydrophobicContact CG2-CG1 4.28Å; T79-M120 HydrophobicContact CG2-CG 3.8Å
80	A	98.6	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.1	179.1	0	0	0	0	0	109.3	D58 T61 I104 N105 V106 I107	D58-A80 HydrophobicContact CB-CB 4.15Å; D58-A80 CarbonylContact O-C 3.58Å; D58-A80 WeakPolarHBondContact O-CA 3.02Å; T61-A80 HydrophobicContact CG2-CB 3.9Å; A80-I104 HydrophobicContact CB-CG2 4.11Å; A80-N105 PolarHBondContact N-O 3.14Å; A80-V106 HydrophobicContact CB-CG2 4.23Å; A80-V106 CarbonylContact O-C 3.54Å; A80-V106 WeakPolarHBondContact O-CA 3.4Å; A80-I107 PolarHBondContact O-N 3.35Å
81	C	98.4	Very high	96.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.7	172	67.8	0	0	0	0	112.1	D58 G60 T61 I107 L114	D58-C81 PolarHBondContact O-N 3.35Å; G60-C81 WeakPolarHBondContact CA-O 3.39Å; G60-C81 PolarHBondContact N-O 3.35Å; T61-C81 PolarHBondContact N-O 3.39Å; C81-I107 WeakPolarHBondContact CA-O 3.4Å; C81-L114 HydrophobicContact CB-CD1 3.92Å; C81-L114 HydrophobicContact CB-CD2 4.27Å; C81-L114 HydrophobicContact CB-CG 4.46Å
82	E	96.8	Very high	96.1	Very high	24 Å²	24	34.4 Å²	34.4	11%	0.112	20%	0.201	C	C	.	.			trans	-141.1	120.3	176.3	173.5	50.1	-107.5	0	0	107.8	T61 G62 F84 M87 A88 I107 P108 K109	T61-E82 HydrophobicContact CG2-CB 3.72Å; G62-E82 PolarHBondContact N-OE2 3.46Å; G62-E82 VanDerWaalsContact N-OE2 3.16Å; E82-F84 WeakPolarHBondContact OE1-CB 3.47Å; E82-F84 PolarHBondContact OE1-N 2.7Å; E82-M87 HydrophobicContact CG-CB 4Å; E82-M87 HydrophobicContact CG-CG 4.16Å; E82-A88 HydrophobicContact CB-CB 3.99Å; E82-A88 HydrophobicContact CG-CB 4Å; E82-I107 PolarHBondContact N-O 2.93Å; E82-I107 VanDerWaalsContact N-O 3.14Å; E82-P108 CarbonylContact O-C 3.56Å; E82-P108 WeakPolarHBondContact O-CA 3.33Å; E82-K109 CarbonylContact C-O 3.55Å; E82-K109 PolarHBondContact O-N 3.42Å
83	S	94.2	Very high	96.1	Very high	62 Å²	62	32 Å²	32	43%	0.434	19%	0.188	S	C	.	.	S	Bend	trans	-78.5	-24.7	-178.5	50.7	0	0	0	0	113.2	L85	S83-L85 PolarHBondContact O-N 3.45Å
84	F	91.9	Very high	96.1	Very high	39 Å²	39	31.3 Å²	31.3	17%	0.171	18%	0.182	C	C	.	.			trans	-83.1	102.5	-179.3	-172.3	-132.6	0	0	0	110.6	F12 E15 I16 E82 P86 M87 A88	F12-F84 AromaticContact CD1-CE2 3.57Å; F12-F84 HydrophobicContact CD1-CE2 3.57Å; F12-F84 AromaticContact CD1-CZ 4Å; F12-F84 HydrophobicContact CD1-CZ 4Å; F12-F84 AromaticContact CE1-CE2 3.95Å; F12-F84 HydrophobicContact CE1-CE2 3.95Å; E15-F84 HydrophobicContact CB-CZ 4.18Å; I16-F84 HydrophobicContact CG1-CE1 3.93Å; I16-F84 HydrophobicContact CG1-CZ 3.89Å; E82-F84 WeakPolarHBondContact OE1-CB 3.47Å; E82-F84 PolarHBondContact OE1-N 2.7Å; F84-P86 HydrophobicContact CD1-CB 4.48Å; F84-P86 HydrophobicContact CD2-CG 4.4Å; F84-P86 HydrophobicContact CE1-CB 3.98Å; F84-P86 HydrophobicContact CE1-CG 4.07Å; F84-P86 HydrophobicContact CE2-CG 3.89Å; F84-P86 HydrophobicContact CZ-CB 4.08Å; F84-P86 HydrophobicContact CZ-CG 3.68Å; F84-M87 HydrophobicContact CB-CB 4.3Å; F84-M87 HydrophobicContact CD1-CB 3.7Å; F84-M87 HydrophobicContact CG-CB 4.41Å; F84-M87 WeakPolarHBondContact O-CA 3.3Å; F84-M87 WeakPolarHBondContact O-CB 3.36Å; F84-M87 PolarHBondContact O-N 3.43Å; F84-A88 PolarHBondContact O-N 3.28Å
85	L	92.6	Very high	96.1	Very high	107 Å²	107	29.8 Å²	29.8	56%	0.56	17%	0.166	S	C	*	.	H	α-helix	trans	-54.7	-42.2	-171.2	-179.1	64.2	0	0	0	114.9	S83 M87 A88 T89 P108	S83-L85 PolarHBondContact O-N 3.45Å; L85-M87 VanDerWaalsContact C-N 3.29Å; L85-M87 PolarHBondContact O-N 2.98Å; L85-A88 PolarHBondContact O-N 3.45Å; L85-T89 WeakPolarHBondContact O-CB 3.21Å; L85-T89 PolarHBondContact O-N 3.39Å; L85-T89 PolarHBondContact O-OG1 3.49Å; L85-P108 HydrophobicContact CD1-CB 4.03Å
86	P	92.1	Very high	96	Very high	24 Å²	24	36.3 Å²	36.3	16%	0.156	19%	0.189	C	C	.	.	H	α-helix	trans	-57.5	-41.7	174.1	-26.1	36.3	0	0	0	112.6	F12 I16 F84 T89 C90	F12-P86 HydrophobicContact CB-CG 4.28Å; F12-P86 HydrophobicContact CD1-CG 4.06Å; F12-P86 HydrophobicContact CD2-CG 4.47Å; F12-P86 HydrophobicContact CG-CG 4.01Å; I16-P86 HydrophobicContact CD1-CB 3.91Å; I16-P86 HydrophobicContact CD1-CG 4.29Å; I16-P86 HydrophobicContact CG1-CB 4.19Å; F84-P86 HydrophobicContact CD1-CB 4.48Å; F84-P86 HydrophobicContact CD2-CG 4.4Å; F84-P86 HydrophobicContact CE1-CB 3.98Å; F84-P86 HydrophobicContact CE1-CG 4.07Å; F84-P86 HydrophobicContact CE2-CG 3.89Å; F84-P86 HydrophobicContact CZ-CB 4.08Å; F84-P86 HydrophobicContact CZ-CG 3.68Å; P86-T89 PolarHBondContact O-N 3.18Å; P86-C90 WeakPolarHBondContact O-CB 3.36Å; P86-C90 PolarHBondContact O-N 3.34Å
87	M	92.9	Very high	96	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.044	19%	0.19	C	C	.	.	H	α-helix	trans	-72.1	-40.7	178.2	-170.1	56.3	61.8	0	0	112.4	G62 T63 E82 F84 L85 T89 C90 A91 F576 L579	G62-M87 WeakPolarHBondContact O-CG 3.42Å; T63-M87 HydrophobicContact CG2-SD 4.31Å; E82-M87 HydrophobicContact CG-CB 4Å; E82-M87 HydrophobicContact CG-CG 4.16Å; F84-M87 HydrophobicContact CB-CB 4.3Å; F84-M87 HydrophobicContact CD1-CB 3.7Å; F84-M87 HydrophobicContact CG-CB 4.41Å; F84-M87 WeakPolarHBondContact O-CA 3.3Å; F84-M87 WeakPolarHBondContact O-CB 3.36Å; F84-M87 PolarHBondContact O-N 3.43Å; L85-M87 VanDerWaalsContact C-N 3.29Å; L85-M87 PolarHBondContact O-N 2.98Å; M87-T89 VanDerWaalsContact C-N 3.26Å; M87-T89 PolarHBondContact O-N 2.93Å; M87-C90 CarbonylContact O-C 3.49Å; M87-C90 WeakPolarHBondContact O-CA 3.39Å; M87-C90 VanDerWaalsContact O-CB 3.27Å; M87-C90 WeakPolarHBondContact O-CB 3.11Å; M87-C90 PolarHBondContact O-N 2.95Å; M87-C90 VanDerWaalsContact O-N 3.1Å; M87-C90 HydrophobicContact SD-CB 4.2Å; M87-A91 PolarHBondContact O-N 2.89Å; M87-F576 HydrophobicContact CE-CD2 3.91Å; M87-F576 HydrophobicContact CE-CE2 3.72Å; M87-F576 HydrophobicContact SD-CD2 4.13Å; M87-F576 HydrophobicContact SD-CE2 4.39Å; M87-L579 HydrophobicContact CE-CD2 4.41Å
88	A	95.5	Very high	96.1	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-39.6	173.8	0	0	0	0	0	111.8	E82 F84 L85 A91 L92 V106 P108	E82-A88 HydrophobicContact CB-CB 3.99Å; E82-A88 HydrophobicContact CG-CB 4Å; F84-A88 PolarHBondContact O-N 3.28Å; L85-A88 PolarHBondContact O-N 3.45Å; A88-A91 PolarHBondContact O-N 3.12Å; A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 3.45Å; A88-L92 VanDerWaalsContact O-N 3.14Å; A88-V106 HydrophobicContact CB-CG1 4.32Å; A88-P108 HydrophobicContact CB-CB 4.15Å
89	T	95.8	Very high	95.9	Very high	68 Å²	68	38.6 Å²	38.6	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-66.7	-41.1	174.9	-55.7	0	0	0	0	111.4	L85 P86 M87 L92 N93	L85-T89 WeakPolarHBondContact O-CB 3.21Å; L85-T89 PolarHBondContact O-N 3.39Å; L85-T89 PolarHBondContact O-OG1 3.49Å; P86-T89 PolarHBondContact O-N 3.18Å; M87-T89 VanDerWaalsContact C-N 3.26Å; M87-T89 PolarHBondContact O-N 2.93Å; T89-L92 PolarHBondContact O-N 3.32Å; T89-N93 PolarHBondContact O-N 3.26Å
90	C	94.8	Very high	95.8	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-48.7	173.6	-171.4	0	0	0	0	111.8	P86 M87 L92 N93 I94 F576 L579	P86-C90 WeakPolarHBondContact O-CB 3.36Å; P86-C90 PolarHBondContact O-N 3.34Å; M87-C90 CarbonylContact O-C 3.49Å; M87-C90 WeakPolarHBondContact O-CA 3.39Å; M87-C90 VanDerWaalsContact O-CB 3.27Å; M87-C90 WeakPolarHBondContact O-CB 3.11Å; M87-C90 PolarHBondContact O-N 2.95Å; M87-C90 VanDerWaalsContact O-N 3.1Å; M87-C90 HydrophobicContact SD-CB 4.2Å; C90-L92 VanDerWaalsContact C-N 3.32Å; C90-L92 PolarHBondContact O-N 2.79Å; C90-N93 WeakPolarHBondContact O-CB 3.15Å; C90-N93 PolarHBondContact O-N 3.21Å; C90-I94 WeakPolarHBondContact O-CG1 3.45Å; C90-I94 PolarHBondContact O-N 2.85Å; C90-F576 VanDerWaalsContact SG-CA 3.57Å; C90-L579 HydrophobicContact CB-CD2 3.75Å
91	A	96.5	Very high	95.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.8	-48.7	176.2	0	0	0	0	0	111.1	G62 M87 A88 N93 I94 L95	G62-A91 WeakPolarHBondContact O-CB 3.28Å; M87-A91 PolarHBondContact O-N 2.89Å; A88-A91 PolarHBondContact O-N 3.12Å; A91-N93 VanDerWaalsContact C-N 3.27Å; A91-N93 PolarHBondContact O-N 3.3Å; A91-I94 WeakPolarHBondContact O-CB 3.2Å; A91-I94 PolarHBondContact O-N 3.21Å; A91-I94 VanDerWaalsContact O-N 3.1Å; A91-L95 WeakPolarHBondContact O-CB 3.49Å; A91-L95 WeakPolarHBondContact O-CG 3.27Å; A91-L95 PolarHBondContact O-N 3.1Å
92	L	97.8	Very high	95.2	Very high	79 Å²	79	50.6 Å²	50.6	41%	0.414	28%	0.284	S	S	.	.	H	α-helix	trans	-57.7	-36.8	177.6	-73	169.8	0	0	0	113.3	A88 T89 C90 R96 V106	A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 3.45Å; A88-L92 VanDerWaalsContact O-N 3.14Å; T89-L92 PolarHBondContact O-N 3.32Å; C90-L92 VanDerWaalsContact C-N 3.32Å; C90-L92 PolarHBondContact O-N 2.79Å; L92-R96 WeakPolarHBondContact O-CB 3.39Å; L92-R96 PolarHBondContact O-N 2.65Å; L92-R96 VanDerWaalsContact O-N 3.15Å; L92-V106 HydrophobicContact CD2-CB 3.88Å; L92-V106 HydrophobicContact CD2-CG2 4.02Å; L92-V106 HydrophobicContact CG-CB 4.19Å; L92-V106 HydrophobicContact CG-CG2 4.44Å
93	N	97.1	Very high	95	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-69.8	-43.9	174.8	-69.7	-30.3	0	0	0	111.7	T89 C90 A91 R96 N97 P575	T89-N93 PolarHBondContact O-N 3.26Å; C90-N93 WeakPolarHBondContact O-CB 3.15Å; C90-N93 PolarHBondContact O-N 3.21Å; A91-N93 VanDerWaalsContact C-N 3.27Å; A91-N93 PolarHBondContact O-N 3.3Å; N93-R96 WeakPolarHBondContact O-CB 3.47Å; N93-R96 PolarHBondContact O-N 3.49Å; N93-R96 VanDerWaalsContact OD1-CZ 3.31Å; N93-R96 PolarHBondContact OD1-NH1 2.64Å; N93-R96 PolarHBondContact OD1-NH2 3.48Å; N93-N97 PolarHBondContact O-N 2.86Å; N93-N97 PolarHBondContact O-OD1 2.94Å; N93-P575 HydrophobicContact CB-CB 4.15Å; N93-P575 HydrophobicContact CB-CG 4.44Å
94	I	97.3	Very high	95.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-48.1	176.1	-68.8	171	0	0	0	110.6	T63 M68 C90 A91 R96 N97 N98 L573 P575 F576	T63-I94 HydrophobicContact CG2-CD1 4.12Å; M68-I94 HydrophobicContact CE-CG2 3.57Å; M68-I94 HydrophobicContact SD-CG2 4.04Å; C90-I94 WeakPolarHBondContact O-CG1 3.45Å; C90-I94 PolarHBondContact O-N 2.85Å; A91-I94 WeakPolarHBondContact O-CB 3.2Å; A91-I94 PolarHBondContact O-N 3.21Å; A91-I94 VanDerWaalsContact O-N 3.1Å; I94-R96 VanDerWaalsContact C-N 3.27Å; I94-R96 PolarHBondContact O-N 3.36Å; I94-N97 PolarHBondContact O-N 2.89Å; I94-N98 PolarHBondContact O-N 2.95Å; I94-N98 PolarHBondContact O-ND2 3.08Å; I94-L573 HydrophobicContact CD1-CD2 4.14Å; I94-L573 HydrophobicContact CG2-CD2 3.76Å; I94-P575 HydrophobicContact CG1-CB 3.86Å; I94-P575 HydrophobicContact CG1-CG 3.94Å; I94-F576 HydrophobicContact CD1-CB 4.01Å
95	L	98	Very high	95.4	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-39.7	177.8	-67.3	-179.7	0	0	0	111.8	M68 A91 N98 G99 F100 I104 V106	M68-L95 HydrophobicContact CG-CD2 3.45Å; M68-L95 VanDerWaalsContact CG-CD2 3.45Å; M68-L95 HydrophobicContact SD-CD2 3.97Å; A91-L95 WeakPolarHBondContact O-CB 3.49Å; A91-L95 WeakPolarHBondContact O-CG 3.27Å; A91-L95 PolarHBondContact O-N 3.1Å; L95-N98 PolarHBondContact O-N 3.44Å; L95-G99 PolarHBondContact O-N 2.84Å; L95-F100 HydrophobicContact CD2-CB 4.27Å; L95-F100 PolarHBondContact O-N 2.92Å; L95-I104 HydrophobicContact CD1-CB 3.87Å; L95-I104 HydrophobicContact CD1-CG2 3.62Å; L95-I104 HydrophobicContact CD2-CB 4.38Å; L95-I104 HydrophobicContact CD2-CD1 3.47Å; L95-I104 VanDerWaalsContact CD2-CD1 3.47Å; L95-I104 HydrophobicContact CD2-CG1 4.5Å; L95-I104 HydrophobicContact CD2-CG2 4.38Å; L95-V106 HydrophobicContact CD1-CG2 3.41Å; L95-V106 VanDerWaalsContact CD1-CG2 3.41Å
96	R	96.8	Very high	95.7	Very high	144 Å²	144	49.6 Å²	49.6	54%	0.543	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-46.8	176.3	-167.1	-169.1	-47.3	133.8	15.1	111.7	L92 N93 I94 N98 G99 S101	L92-R96 WeakPolarHBondContact O-CB 3.39Å; L92-R96 PolarHBondContact O-N 2.65Å; L92-R96 VanDerWaalsContact O-N 3.15Å; N93-R96 WeakPolarHBondContact O-CB 3.47Å; N93-R96 PolarHBondContact O-N 3.49Å; N93-R96 VanDerWaalsContact OD1-CZ 3.31Å; N93-R96 PolarHBondContact OD1-NH1 2.64Å; N93-R96 PolarHBondContact OD1-NH2 3.48Å; I94-R96 VanDerWaalsContact C-N 3.27Å; I94-R96 PolarHBondContact O-N 3.36Å; R96-N98 PolarHBondContact O-N 3.03Å; R96-G99 PolarHBondContact O-N 3.46Å; R96-G99 VanDerWaalsContact O-N 3.13Å; R96-S101 VanDerWaalsContact CA-OG 3.27Å; R96-S101 WeakPolarHBondContact CA-OG 3.24Å; R96-S101 PolarHBondContact N-OG 2.88Å
97	N	96.2	Very high	96	Very high	84 Å²	84	49 Å²	49	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-31.4	-179.9	-72.6	3.9	0	0	0	112.4	N93 I94 P575	N93-N97 PolarHBondContact O-N 2.86Å; N93-N97 PolarHBondContact O-OD1 2.94Å; I94-N97 PolarHBondContact O-N 2.89Å; N97-P575 VanDerWaalsContact ND2-CG 3.31Å; N97-P575 WeakPolarHBondContact ND2-CG 3.33Å
98	N	96.8	Very high	96.2	Very high	39 Å²	39	52.1 Å²	52.1	21%	0.209	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.2	177.7	-68.6	-84.3	0	0	0	113.7	M68 I94 L95 R96 F100 D572	M68-N98 HydrophobicContact SD-CB 3.75Å; I94-N98 PolarHBondContact O-N 2.95Å; I94-N98 PolarHBondContact O-ND2 3.08Å; L95-N98 PolarHBondContact O-N 3.44Å; R96-N98 PolarHBondContact O-N 3.03Å; N98-F100 HydrophobicContact CB-CD2 3.65Å; N98-F100 HydrophobicContact CB-CE2 3.79Å; N98-D572 PolarHBondContact ND2-O 2.92Å; N98-D572 PolarHBondContact OD1-N 2.72Å
99	G	95.4	Very high	96.3	Very high	65 Å²	65	55.3 Å²	55.3	67%	0.67	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	28	175	0	0	0	0	0	115.7	L95 R96	L95-G99 PolarHBondContact O-N 2.84Å; R96-G99 PolarHBondContact O-N 3.46Å; R96-G99 VanDerWaalsContact O-N 3.13Å
100	F	95.9	Very high	96.3	Very high	26 Å²	26	57.1 Å²	57.1	11%	0.114	30%	0.301	C	S	.	.			trans	-111.7	4.4	-176.8	-62.8	-63.5	0	0	0	115.7	M68 V71 N72 L95 N98 D102 K103 I104 F571	M68-F100 HydrophobicContact CB-CD2 4.07Å; M68-F100 HydrophobicContact CB-CE2 4.01Å; M68-F100 HydrophobicContact CG-CD2 3.56Å; M68-F100 HydrophobicContact CG-CE2 3.96Å; M68-F100 HydrophobicContact CG-CG 4.35Å; M68-F100 HydrophobicContact SD-CD2 3.71Å; M68-F100 HydrophobicContact SD-CE2 4.02Å; V71-F100 HydrophobicContact CB-CD1 4.09Å; V71-F100 HydrophobicContact CB-CE1 4.17Å; V71-F100 HydrophobicContact CG1-CD1 3.55Å; V71-F100 HydrophobicContact CG1-CE1 3.62Å; N72-F100 VanDerWaalsContact OD1-CZ 3.24Å; N72-F100 WeakPolarHBondContact OD1-CZ 3.19Å; L95-F100 HydrophobicContact CD2-CB 4.27Å; L95-F100 PolarHBondContact O-N 2.92Å; N98-F100 HydrophobicContact CB-CD2 3.65Å; N98-F100 HydrophobicContact CB-CE2 3.79Å; F100-D102 PolarHBondContact O-N 3.1Å; F100-D102 VanDerWaalsContact O-N 3.07Å; F100-K103 PolarHBondContact O-N 3.5Å; F100-I104 HydrophobicContact CB-CD1 3.8Å; F100-I104 HydrophobicContact CB-CG1 4.48Å; F100-I104 HydrophobicContact CG-CD1 4.36Å; F100-I104 PolarHBondContact O-N 3.23Å; F100-F571 HydrophobicContact CE2-CD1 4.23Å; F100-F571 AromaticContact CE2-CE1 3.81Å; F100-F571 HydrophobicContact CE2-CE1 3.81Å; F100-F571 HydrophobicContact CZ-CE1 4.27Å
101	S	93.1	Very high	96.5	Very high	58 Å²	58	57.1 Å²	57.1	41%	0.406	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.3	-176.5	-60.9	0	0	0	0	114.7	R96 K103	R96-S101 VanDerWaalsContact CA-OG 3.27Å; R96-S101 WeakPolarHBondContact CA-OG 3.24Å; R96-S101 PolarHBondContact N-OG 2.88Å; S101-K103 VanDerWaalsContact C-N 3.34Å
102	D	91.7	Very high	96.5	Very high	170 Å²	170	60.1 Å²	60.1	91%	0.909	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11	-177.8	-60.8	-30.5	0	0	0	113.8	F100	F100-D102 PolarHBondContact O-N 3.1Å; F100-D102 VanDerWaalsContact O-N 3.07Å
103	K	93	Very high	96.5	Very high	113 Å²	113	60.6 Å²	60.6	49%	0.491	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-19.8	-173.2	-68.1	-173.6	175.5	-176.2	0	114.3	V71 V78 F100 S101	V71-K103 HydrophobicContact CG1-CB 4.25Å; V71-K103 HydrophobicContact CG1-CD 3.43Å; V71-K103 VanDerWaalsContact CG1-CD 3.43Å; V71-K103 HydrophobicContact CG1-CG 4.5Å; V71-K103 HydrophobicContact CG2-CB 4.01Å; V78-K103 PolarHBondContact N-O 3.33Å; F100-K103 PolarHBondContact O-N 3.5Å; S101-K103 VanDerWaalsContact C-N 3.34Å
104	I	97.8	Very high	96.6	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.4	-176.1	-59	167.6	0	0	0	108.3	M68 V71 V78 A80 L95 F100 V106	M68-I104 HydrophobicContact CG-CD1 4.08Å; V71-I104 HydrophobicContact CG2-CD1 3.73Å; V71-I104 HydrophobicContact CG2-CG1 3.55Å; V78-I104 HydrophobicContact CB-CB 4.43Å; V78-I104 HydrophobicContact CB-CG1 3.97Å; V78-I104 HydrophobicContact CB-CG2 4.36Å; V78-I104 HydrophobicContact CG1-CG2 4.29Å; V78-I104 HydrophobicContact CG2-CG1 4.25Å; A80-I104 HydrophobicContact CB-CG2 4.11Å; L95-I104 HydrophobicContact CD1-CB 3.87Å; L95-I104 HydrophobicContact CD1-CG2 3.62Å; L95-I104 HydrophobicContact CD2-CB 4.38Å; L95-I104 HydrophobicContact CD2-CD1 3.47Å; L95-I104 VanDerWaalsContact CD2-CD1 3.47Å; L95-I104 HydrophobicContact CD2-CG1 4.5Å; L95-I104 HydrophobicContact CD2-CG2 4.38Å; F100-I104 HydrophobicContact CB-CD1 3.8Å; F100-I104 HydrophobicContact CB-CG1 4.48Å; F100-I104 HydrophobicContact CG-CD1 4.36Å; F100-I104 PolarHBondContact O-N 3.23Å; I104-V106 HydrophobicContact CG2-CG2 4.19Å
105	N	96.9	Very high	96.6	Very high	80 Å²	80	63 Å²	63	43%	0.428	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.9	174.7	-176.4	35.7	0	0	0	109.8	V78 A80	V78-N105 PolarHBondContact O-N 3.21Å; A80-N105 PolarHBondContact N-O 3.14Å
106	V	98.2	Very high	96.6	Very high	13 Å²	13	65.6 Å²	65.6	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.8	177.4	-176.6	0	0	0	0	110.1	T61 A80 A88 L92 L95 I104	T61-V106 HydrophobicContact CG2-CG1 4.33Å; A80-V106 HydrophobicContact CB-CG2 4.23Å; A80-V106 CarbonylContact O-C 3.54Å; A80-V106 WeakPolarHBondContact O-CA 3.4Å; A88-V106 HydrophobicContact CB-CG1 4.32Å; L92-V106 HydrophobicContact CD2-CB 3.88Å; L92-V106 HydrophobicContact CD2-CG2 4.02Å; L92-V106 HydrophobicContact CG-CB 4.19Å; L92-V106 HydrophobicContact CG-CG2 4.44Å; L95-V106 HydrophobicContact CD1-CG2 3.41Å; L95-V106 VanDerWaalsContact CD1-CG2 3.41Å; I104-V106 HydrophobicContact CG2-CG2 4.19Å
107	I	98.1	Very high	96.6	Very high	11 Å²	11	62 Å²	62	6%	0.056	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.7	-176.6	-52.2	-176.2	0	0	0	108.9	T79 A80 C81 E82 K109 L114 D119	T79-I107 HydrophobicContact CG2-CD1 3.59Å; T79-I107 HydrophobicContact CG2-CG1 4.28Å; A80-I107 PolarHBondContact O-N 3.35Å; C81-I107 WeakPolarHBondContact CA-O 3.4Å; E82-I107 PolarHBondContact N-O 2.93Å; E82-I107 VanDerWaalsContact N-O 3.14Å; I107-K109 HydrophobicContact CG2-CB 4.09Å; I107-K109 HydrophobicContact CG2-CD 3.86Å; I107-K109 HydrophobicContact CG2-CG 3.93Å; I107-K109 PolarHBondContact O-N 3.16Å; I107-L114 HydrophobicContact CB-CD2 4.21Å; I107-L114 HydrophobicContact CD1-CD2 4.12Å; I107-L114 HydrophobicContact CG2-CD2 3.82Å; I107-D119 HydrophobicContact CD1-CB 3.7Å; I107-D119 WeakPolarHBondContact CD1-O 3.48Å
108	P	97.4	Very high	96.7	Very high	75 Å²	75	63.9 Å²	63.9	49%	0.487	37%	0.367	S	S	.	.	S	Bend	trans	-77.8	65.8	-177	32.2	-35.5	0	0	0	111.7	E82 L85 A88	E82-P108 CarbonylContact O-C 3.56Å; E82-P108 WeakPolarHBondContact O-CA 3.33Å; L85-P108 HydrophobicContact CD1-CB 4.03Å; A88-P108 HydrophobicContact CB-CB 4.15Å
109	K	97.7	Very high	96.7	Very high	70 Å²	70	63 Å²	63	30%	0.304	36%	0.363	S	S	.	.	S	Bend	trans	-146.5	160.8	-175.3	-70.5	-177.4	179.7	173.8	0	111.1	E82 I107 L114 D119	E82-K109 CarbonylContact C-O 3.55Å; E82-K109 PolarHBondContact O-N 3.42Å; I107-K109 HydrophobicContact CG2-CB 4.09Å; I107-K109 HydrophobicContact CG2-CD 3.86Å; I107-K109 HydrophobicContact CG2-CG 3.93Å; I107-K109 PolarHBondContact O-N 3.16Å; K109-L114 HydrophobicContact CB-CD2 4.25Å; K109-L114 HydrophobicContact CD-CD2 4.37Å; K109-D119 VanDerWaalsContact NZ-CG 3.25Å; K109-D119 IonicContact NZ-OD1 3.84Å; K109-D119 PolarHBondContact NZ-OD1 3.21Å; K109-D119 IonicContact NZ-OD2 2.66Å; K109-D119 PolarHBondContact NZ-OD2 2.83Å
110	R	96.7	Very high	96.8	Very high	105 Å²	105	60 Å²	60	40%	0.396	33%	0.331	S	S	.	.			trans	-68.5	148.2	162.6	-63.4	179	175.9	-83.2	-6.9	110.1	W3 T112 D113	W3-R110 PolarHBondContact O-NH2 2.62Å; R110-T112 PolarHBondContact O-N 2.8Å; R110-D113 PolarHBondContact O-N 3.19Å
111	S	97.9	Very high	96.8	Very high	8 Å²	8	63 Å²	63	6%	0.056	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.1	174.4	60.3	0	0	0	0	112.9	D113 L114 H147 L152	S111-D113 PolarHBondContact O-N 3.36Å; S111-L114 PolarHBondContact O-N 2.91Å; S111-H147 PolarHBondContact O-CE1 3.12Å; S111-L152 WeakPolarHBondContact O-CD1 3.36Å
112	T	97.3	Very high	97	Very high	62 Å²	62	63.2 Å²	63.2	38%	0.38	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-66.9	-17.6	176.7	51.3	0	0	0	0	114.1	R110 H147	R110-T112 PolarHBondContact O-N 2.8Å; T112-H147 VanDerWaalsContact CA-CE1 3.48Å; T112-H147 WeakPolarHBondContact CA-CE1 3.4Å; T112-H147 HydrophobicContact CG2-CB 4.17Å; T112-H147 PolarHBondContact O-NE2 3.43Å
113	D	98	Very high	97.4	Very high	90 Å²	90	59.1 Å²	59.1	48%	0.481	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-105.4	1.6	-179.3	-55.7	-39.5	0	0	0	112.5	R110 S111	R110-D113 PolarHBondContact O-N 3.19Å; S111-D113 PolarHBondContact O-N 3.36Å
114	L	98.3	Very high	97.6	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.042	31%	0.305	C	S	.	.			trans	-73.6	133.3	176.4	-64.6	179.6	0	0	0	110.9	L57 C81 I107 K109 S111 D119 M120 L152	L57-L114 HydrophobicContact CD1-CD1 4.09Å; C81-L114 HydrophobicContact CB-CD1 3.92Å; C81-L114 HydrophobicContact CB-CD2 4.27Å; C81-L114 HydrophobicContact CB-CG 4.46Å; I107-L114 HydrophobicContact CB-CD2 4.21Å; I107-L114 HydrophobicContact CD1-CD2 4.12Å; I107-L114 HydrophobicContact CG2-CD2 3.82Å; K109-L114 HydrophobicContact CB-CD2 4.25Å; K109-L114 HydrophobicContact CD-CD2 4.37Å; S111-L114 PolarHBondContact O-N 2.91Å; L114-D119 HydrophobicContact CD2-CB 3.97Å; L114-M120 HydrophobicContact CD1-SD 4.3Å; L114-L152 HydrophobicContact CB-CD1 4.39Å; L114-L152 HydrophobicContact CB-CD2 3.97Å; L114-L152 HydrophobicContact CD1-CD1 4.23Å
115	I	98.1	Very high	97.7	Very high	95 Å²	95	54.9 Å²	54.9	49%	0.487	31%	0.311	S	S	.	.			trans	-115.6	121	179.1	-58.3	173.7	0	0	0	110	G117 L118 D119 M120	I115-G117 PolarHBondContact O-N 3.39Å; I115-L118 HydrophobicContact CB-CB 4.16Å; I115-L118 HydrophobicContact CD1-CD2 4.29Å; I115-L118 HydrophobicContact CG2-CB 4.2Å; I115-L118 PolarHBondContact O-N 2.97Å; I115-L118 VanDerWaalsContact O-N 3.15Å; I115-D119 PolarHBondContact N-OD2 3.04Å; I115-D119 PolarHBondContact O-N 3.29Å; I115-M120 PolarHBondContact O-N 2.96Å
116	V	98.1	Very high	97.7	Very high	55 Å²	55	51.1 Å²	51.1	33%	0.333	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-66.8	129.5	171.2	-177.8	0	0	0	0	109.8	M120 K123 L152	V116-M120 CarbonylContact C-O 3.57Å; V116-M120 HydrophobicContact CG2-CB 4.45Å; V116-M120 HydrophobicContact CG2-SD 4.43Å; V116-K123 HydrophobicContact CG1-CG 4.4Å; V116-K123 HydrophobicContact CG2-CG 4.08Å; V116-L152 HydrophobicContact CG2-CD2 4.3Å
117	G	96.7	Very high	97.8	Very high	68 Å²	68	50.5 Å²	50.5	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	-14.5	-171.9	0	0	0	0	0	114.2	I115 M120	I115-G117 PolarHBondContact O-N 3.39Å; G117-M120 PolarHBondContact N-O 2.73Å
118	L	97.2	Very high	97.8	Very high	125 Å²	125	50 Å²	50	65%	0.654	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-61.3	177.2	177.8	66.5	0	0	0	111.1	I115	I115-L118 HydrophobicContact CB-CB 4.16Å; I115-L118 HydrophobicContact CD1-CD2 4.29Å; I115-L118 HydrophobicContact CG2-CB 4.2Å; I115-L118 PolarHBondContact O-N 2.97Å; I115-L118 VanDerWaalsContact O-N 3.15Å
119	D	97.7	Very high	97.8	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.112	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-38.7	-178	-63.6	-57.5	0	0	0	111.1	I107 K109 L114 I115	I107-D119 HydrophobicContact CD1-CB 3.7Å; I107-D119 WeakPolarHBondContact CD1-O 3.48Å; K109-D119 VanDerWaalsContact NZ-CG 3.25Å; K109-D119 IonicContact NZ-OD1 3.84Å; K109-D119 PolarHBondContact NZ-OD1 3.21Å; K109-D119 IonicContact NZ-OD2 2.66Å; K109-D119 PolarHBondContact NZ-OD2 2.83Å; L114-D119 HydrophobicContact CD2-CB 3.97Å; I115-D119 PolarHBondContact N-OD2 3.04Å; I115-D119 PolarHBondContact O-N 3.29Å
120	M	97.8	Very high	97.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-114.9	133.1	176.6	-64.3	171.8	69.7	0	0	109.7	L57 T79 L114 I115 V116 G117 C122 A124 L152	L57-M120 HydrophobicContact CB-CE 4.35Å; L57-M120 HydrophobicContact CD1-CE 4.11Å; L57-M120 HydrophobicContact CD1-SD 4.16Å; L57-M120 HydrophobicContact CD2-CE 4.15Å; L57-M120 HydrophobicContact CD2-SD 4.46Å; L57-M120 HydrophobicContact CG-CE 4.44Å; T79-M120 HydrophobicContact CG2-CG 3.8Å; L114-M120 HydrophobicContact CD1-SD 4.3Å; I115-M120 PolarHBondContact O-N 2.96Å; V116-M120 CarbonylContact C-O 3.57Å; V116-M120 HydrophobicContact CG2-CB 4.45Å; V116-M120 HydrophobicContact CG2-SD 4.43Å; G117-M120 PolarHBondContact N-O 2.73Å; M120-C122 VanDerWaalsContact C-N 3.28Å; M120-C122 PolarHBondContact O-N 3.36Å; M120-A124 HydrophobicContact CE-CB 3.92Å; M120-L152 HydrophobicContact CE-CB 4.38Å; M120-L152 HydrophobicContact SD-CB 4.2Å; M120-L152 HydrophobicContact SD-CD2 3.94Å; M120-L152 HydrophobicContact SD-CG 4.47Å
121	P	95.8	Very high	97.5	Very high	88 Å²	88	41 Å²	41	57%	0.571	24%	0.242	S	C	*	.	S	Bend	trans	-66.3	-32.2	-179.4	25.3	-33	0	0	0	112.9	L77	L77-P121 HydrophobicContact CD2-CG 3.44Å; L77-P121 VanDerWaalsContact CD2-CG 3.44Å
122	C	97.6	Very high	97.4	Very high	64 Å²	64	40.6 Å²	40.6	43%	0.432	24%	0.239	S	C	.	.	S	Bend	trans	-153	176.9	175.3	56.7	0	0	0	0	109.4	H55 M120	H55-C122 PolarHBondContact CE1-O 3.41Å; H55-C122 PolarHBondContact ND1-O 3.48Å; M120-C122 VanDerWaalsContact C-N 3.28Å; M120-C122 PolarHBondContact O-N 3.36Å
123	K	98.4	Very high	97.3	Very high	84 Å²	84	39 Å²	39	37%	0.365	23%	0.229	S	C	.	.			trans	-67.6	138.1	172.4	-75.4	178.4	153.1	-143.8	0	110.3	V116 K150 H151 L152 L153 T154	V116-K123 HydrophobicContact CG1-CG 4.4Å; V116-K123 HydrophobicContact CG2-CG 4.08Å; K123-K150 PolarHBondContact NZ-O 2.87Å; K123-H151 VanDerWaalsContact CE-O 3.23Å; K123-H151 WeakPolarHBondContact CE-O 3.5Å; K123-L152 CarbonylContact C-O 3.57Å; K123-L152 WeakPolarHBondContact CA-O 3.46Å; K123-L152 WeakPolarHBondContact CB-O 3.47Å; K123-L153 WeakPolarHBondContact CD-O 3.5Å; K123-L153 PolarHBondContact NZ-O 2.88Å; K123-T154 HydrophobicContact CB-CG2 3.95Å
124	A	98.7	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	145.8	177.7	0	0	0	0	0	111.5	H55 L57 M120 L152 L153 T154	H55-A124 WeakPolarHBondContact O-CA 3.48Å; H55-A124 WeakPolarHBondContact O-CB 3.46Å; L57-A124 HydrophobicContact CB-CB 3.62Å; M120-A124 HydrophobicContact CE-CB 3.92Å; A124-L152 PolarHBondContact N-O 3.29Å; A124-L153 HydrophobicContact CB-CD2 4.05Å; A124-L153 WeakPolarHBondContact O-CA 3.15Å; A124-T154 PolarHBondContact O-N 2.77Å
125	N	98.3	Very high	97.1	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-1.6	174.9	60	0.2	0	0	0	112.9	P53 H55 T154 A157 S158	P53-N125 PolarHBondContact O-ND2 2.74Å; H55-N125 PolarHBondContact N-OD1 3.26Å; H55-N125 PolarHBondContact O-N 3.4Å; H55-N125 VanDerWaalsContact O-N 3.1Å; H55-N125 PolarHBondContact O-OD1 2.9Å; H55-N125 VanDerWaalsContact O-OD1 3.07Å; N125-T154 HydrophobicContact CB-CG2 4.42Å; N125-A157 CarbonylContact O-C 3.59Å; N125-A157 VanDerWaalsContact O-CA 3.25Å; N125-A157 WeakPolarHBondContact O-CA 3.49Å; N125-S158 PolarHBondContact O-N 2.72Å
126	V	98.7	Very high	97	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.8	167.7	179.4	0	0	0	0	109.1	T41 L45 V54 H55 V56 L57 V128 S158 I160	T41-V126 HydrophobicContact CG2-CG2 4.43Å; L45-V126 HydrophobicContact CD1-CG2 3.33Å; V54-V126 HydrophobicContact CG1-CG2 3.91Å; H55-V126 PolarHBondContact O-N 2.62Å; V56-V126 CarbonylContact C-O 3.6Å; V56-V126 WeakPolarHBondContact CA-O 3.4Å; V56-V126 HydrophobicContact CB-CB 4.45Å; V56-V126 HydrophobicContact CG1-CB 4.45Å; V56-V126 HydrophobicContact CG1-CG1 4.18Å; V56-V126 HydrophobicContact CG2-CB 4.01Å; V56-V126 HydrophobicContact CG2-CG1 4.2Å; L57-V126 PolarHBondContact N-O 3Å; V126-V128 HydrophobicContact CG1-CG1 4.37Å; V126-S158 CarbonylContact C-O 3.59Å; V126-S158 VanDerWaalsContact CA-O 3.24Å; V126-S158 WeakPolarHBondContact CA-O 3.24Å; V126-I160 HydrophobicContact CG1-CD1 4.45Å
127	L	98.7	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.7	168.7	168.3	65.6	0	0	0	109	L57 I59 A129 Y145 A148 L153 S158 L159 I160	L57-L127 HydrophobicContact CB-CD1 4.29Å; L57-L127 HydrophobicContact CD2-CD1 4.21Å; L57-L127 HydrophobicContact CG-CD1 4.09Å; L57-L127 WeakPolarHBondContact O-CA 3.45Å; L57-L127 WeakPolarHBondContact O-CD1 3.17Å; I59-L127 HydrophobicContact CB-CD1 4.39Å; I59-L127 HydrophobicContact CD1-CD1 3.57Å; I59-L127 HydrophobicContact CD1-CD2 4.44Å; I59-L127 HydrophobicContact CG1-CD1 3.66Å; L127-A129 HydrophobicContact CD1-CB 4.44Å; L127-Y145 HydrophobicContact CD2-CD1 3.55Å; L127-Y145 HydrophobicContact CD2-CE1 3.53Å; L127-Y145 HydrophobicContact CG-CE1 4.33Å; L127-A148 HydrophobicContact CD2-CB 4.22Å; L127-L153 HydrophobicContact CB-CD1 4.02Å; L127-L153 HydrophobicContact CB-CD2 3.91Å; L127-L153 HydrophobicContact CD2-CD1 3.88Å; L127-S158 PolarHBondContact N-O 3.16Å; L127-L159 HydrophobicContact CB-CG 4.12Å; L127-L159 HydrophobicContact CD2-CD2 4.15Å; L127-L159 HydrophobicContact CD2-CG 4.2Å; L127-L159 CarbonylContact O-C 3.55Å; L127-L159 WeakPolarHBondContact O-CA 3.35Å; L127-I160 PolarHBondContact O-N 2.91Å
128	V	98.7	Very high	96.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.4	165.4	-59.8	0	0	0	0	107.9	I38 V56 L57 D58 I59 L66 V126 I160	I38-V128 HydrophobicContact CD1-CG1 4.01Å; I38-V128 HydrophobicContact CG1-CG1 3.83Å; V56-V128 HydrophobicContact CG1-CG1 4.11Å; V56-V128 HydrophobicContact CG1-CG2 3.88Å; L57-V128 PolarHBondContact O-N 3.4Å; D58-V128 WeakPolarHBondContact CA-O 3.31Å; D58-V128 HydrophobicContact CB-CG2 3.67Å; I59-V128 PolarHBondContact N-O 3.43Å; L66-V128 HydrophobicContact CB-CG2 4.06Å; L66-V128 HydrophobicContact CD1-CB 4.39Å; V126-V128 HydrophobicContact CG1-CG1 4.37Å; V128-I160 WeakPolarHBondContact CA-O 3.34Å; V128-I160 HydrophobicContact CG1-CB 4.2Å; V128-I160 HydrophobicContact CG1-CD1 4.06Å
129	A	96.9	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	145.7	174.6	0	0	0	0	0	111	Y34 I59 L127 L131 I160 P161	Y34-A129 PolarHBondContact OH-O 3.12Å; I59-A129 HydrophobicContact CB-CB 4.31Å; L127-A129 HydrophobicContact CD1-CB 4.44Å; A129-L131 HydrophobicContact CB-CD1 3.91Å; A129-L131 HydrophobicContact CB-CG 4.12Å; A129-I160 PolarHBondContact N-O 2.97Å; A129-I160 VanDerWaalsContact N-O 3.16Å; A129-P161 WeakPolarHBondContact O-CD 3.43Å
130	E	94.9	Very high	96.4	Very high	34 Å²	34	24.9 Å²	24.9	16%	0.159	14%	0.14	C	C	.	.			trans	-126.9	101.1	170.7	-154.8	-56.1	80.9	0	0	105.1	Y34 L66 F132 W313	Y34-E130 HydrophobicContact CE2-CG 4.14Å; L66-E130 HydrophobicContact CD1-CB 4.24Å; E130-F132 PolarHBondContact OE1-N 2.8Å; E130-W313 HydrophobicContact CG-CH2 4.45Å; E130-W313 WeakPolarHBondContact OE1-CZ2 3.26Å
131	L	94.6	Very high	96.4	Very high	25 Å²	25	24.9 Å²	24.9	13%	0.131	14%	0.141	C	C	.	.			trans	-144.2	30.9	-169.8	-61.1	170.9	0	0	0	110	I59 A129 A141 T144	I59-L131 HydrophobicContact CB-CD1 4.48Å; I59-L131 HydrophobicContact CG2-CD1 3.98Å; A129-L131 HydrophobicContact CB-CD1 3.91Å; A129-L131 HydrophobicContact CB-CG 4.12Å; L131-A141 HydrophobicContact CB-CB 4.42Å; L131-T144 HydrophobicContact CD1-CG2 3.51Å
132	F	95.7	Very high	96.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.			trans	-113	147.9	-171.5	-51.9	-70.6	0	0	0	110.7	E130 L136 A141 Y145 P161 F250 W282 L284 W313	E130-F132 PolarHBondContact OE1-N 2.8Å; F132-L136 HydrophobicContact CB-CD1 4.44Å; F132-L136 HydrophobicContact CD1-CD1 3.52Å; F132-L136 HydrophobicContact CD1-CG 4.36Å; F132-L136 WeakPolarHBondContact CD1-O 3.31Å; F132-L136 HydrophobicContact CE1-CD1 4.06Å; F132-L136 HydrophobicContact CG-CD1 4.16Å; F132-A141 HydrophobicContact CD1-CB 4.31Å; F132-A141 HydrophobicContact CE1-CB 4.24Å; F132-Y145 HydrophobicContact CE1-CE2 4.12Å; F132-Y145 AromaticContact CZ-CE2 3.93Å; F132-Y145 HydrophobicContact CZ-CE2 3.93Å; F132-P161 HydrophobicContact CE2-CG 3.36Å; F132-P161 HydrophobicContact CZ-CG 3.42Å; F132-P161 VanDerWaalsContact CZ-CG 3.42Å; F132-F250 HydrophobicContact CE1-CE1 4.36Å; F132-F250 AromaticContact CE1-CE2 3.78Å; F132-F250 HydrophobicContact CE1-CE2 3.78Å; F132-F250 AromaticContact CE1-CZ 3.59Å; F132-F250 HydrophobicContact CE1-CZ 3.59Å; F132-F250 HydrophobicContact CZ-CD2 4.49Å; F132-F250 AromaticContact CZ-CE2 3.85Å; F132-F250 HydrophobicContact CZ-CE2 3.85Å; F132-F250 HydrophobicContact CZ-CZ 4.15Å; F132-W282 HydrophobicContact CB-CH2 4.12Å; F132-W282 HydrophobicContact CB-CZ2 4.12Å; F132-L284 HydrophobicContact CD1-CD2 4.42Å; F132-L284 HydrophobicContact CD2-CD1 3.8Å; F132-L284 HydrophobicContact CD2-CD2 4.27Å; F132-L284 HydrophobicContact CE1-CD2 4.19Å; F132-L284 HydrophobicContact CE2-CD1 3.93Å; F132-L284 HydrophobicContact CE2-CD2 4.04Å; F132-L284 HydrophobicContact CG-CD1 4.48Å; F132-L284 HydrophobicContact CG-CD2 4.46Å; F132-L284 HydrophobicContact CZ-CD2 3.99Å; F132-W313 HydrophobicContact CB-CZ2 3.92Å; F132-W313 PolarHBondContact O-NE1 3.39Å
133	D	94.8	Very high	96.4	Very high	30 Å²	30	22.4 Å²	22.4	16%	0.16	12%	0.115	C	C	.	.			trans	-123.1	-175.2	174.5	66.2	-17.5	0	0	0	111.4	E135 L136 I137 G138 E139 W282	D133-E135 PolarHBondContact O-N 3.22Å; D133-E135 VanDerWaalsContact O-N 3.17Å; D133-E135 PolarHBondContact OD1-N 3.29Å; D133-L136 WeakPolarHBondContact O-CA 3.33Å; D133-L136 PolarHBondContact O-N 3.31Å; D133-L136 WeakPolarHBondContact OD1-CA 3.48Å; D133-L136 PolarHBondContact OD1-N 3.06Å; D133-I137 PolarHBondContact OD1-N 3.14Å; D133-G138 PolarHBondContact OD1-N 3.17Å; D133-G138 WeakPolarHBondContact OD2-CA 3.46Å; D133-G138 PolarHBondContact OD2-N 3.25Å; D133-E139 HydrophobicContact CB-CG 4.04Å; D133-W282 VanDerWaalsContact O-CZ2 3.24Å; D133-W282 WeakPolarHBondContact O-CZ2 3.48Å; D133-W282 PolarHBondContact O-NE1 2.97Å; D133-W282 VanDerWaalsContact O-NE1 3.11Å
134	T	95.6	Very high	96.4	Very high	14 Å²	14	19.5 Å²	19.5	9%	0.086	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.2	174	-67.7	0	0	0	0	112.4	L136 D215 W282 M314 A316	T134-L136 VanDerWaalsContact C-N 3.31Å; T134-L136 PolarHBondContact O-N 3.05Å; T134-D215 HydrophobicContact CG2-CB 3.71Å; T134-W282 PolarHBondContact O-NE1 3.44Å; T134-W282 VanDerWaalsContact O-NE1 3.12Å; T134-M314 HydrophobicContact CG2-CB 4.45Å; T134-M314 WeakPolarHBondContact CG2-O 3.25Å; T134-M314 PolarHBondContact OG1-N 2.93Å; T134-M314 VanDerWaalsContact OG1-N 3.16Å; T134-A316 HydrophobicContact CG2-CB 4Å
135	E	95.5	Very high	96.3	Very high	23 Å²	23	19.6 Å²	19.6	11%	0.107	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.6	176.7	-61	-170	74.5	0	0	114	D133 I137 T213 Y318 M343	D133-E135 PolarHBondContact O-N 3.22Å; D133-E135 VanDerWaalsContact O-N 3.17Å; D133-E135 PolarHBondContact OD1-N 3.29Å; E135-I137 PolarHBondContact O-N 3.01Å; E135-T213 HydrophobicContact CG-CG2 3.74Å; E135-T213 VanDerWaalsContact OE2-CG2 3.31Å; E135-T213 WeakPolarHBondContact OE2-CG2 3.37Å; E135-Y318 VanDerWaalsContact CD-OH 3.32Å; E135-Y318 WeakPolarHBondContact CG-OH 3.42Å; E135-Y318 PolarHBondContact OE1-OH 3.11Å; E135-M343 WeakPolarHBondContact O-CE 3.34Å
136	L	97.7	Very high	96.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	65.6	-42.6	-171.8	-178.8	69.9	0	0	0	114.9	F132 D133 T134 A164 V166 F248 W282 L284 M343	F132-L136 HydrophobicContact CB-CD1 4.44Å; F132-L136 HydrophobicContact CD1-CD1 3.52Å; F132-L136 HydrophobicContact CD1-CG 4.36Å; F132-L136 WeakPolarHBondContact CD1-O 3.31Å; F132-L136 HydrophobicContact CE1-CD1 4.06Å; F132-L136 HydrophobicContact CG-CD1 4.16Å; D133-L136 WeakPolarHBondContact O-CA 3.33Å; D133-L136 PolarHBondContact O-N 3.31Å; D133-L136 WeakPolarHBondContact OD1-CA 3.48Å; D133-L136 PolarHBondContact OD1-N 3.06Å; T134-L136 VanDerWaalsContact C-N 3.31Å; T134-L136 PolarHBondContact O-N 3.05Å; L136-A164 HydrophobicContact CD1-CB 3.76Å; L136-A164 HydrophobicContact CD2-CB 3.56Å; L136-A164 HydrophobicContact CG-CB 4.28Å; L136-V166 HydrophobicContact CD2-CG2 3.85Å; L136-F248 HydrophobicContact CD2-CD2 3.63Å; L136-F248 HydrophobicContact CD2-CE2 3.91Å; L136-F248 HydrophobicContact CD2-CG 4.4Å; L136-W282 HydrophobicContact CB-CD2 4.33Å; L136-W282 HydrophobicContact CB-CG 3.93Å; L136-W282 HydrophobicContact CD1-CD2 3.83Å; L136-W282 HydrophobicContact CD1-CE3 4.15Å; L136-W282 HydrophobicContact CD1-CG 4.07Å; L136-W282 HydrophobicContact CD2-CB 4.45Å; L136-W282 HydrophobicContact CG-CG 4.4Å; L136-L284 HydrophobicContact CD1-CD2 3.96Å; L136-M343 HydrophobicContact CB-CE 4.3Å; L136-M343 HydrophobicContact CD2-CE 4.49Å
137	I	96.6	Very high	96.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.126	C	C	.	.	S	Bend	trans	-112.7	-3.4	-168.2	66.4	176.6	0	0	0	114	D133 E135 E139 G140 L142 F248 H338 M343	D133-I137 PolarHBondContact OD1-N 3.14Å; E135-I137 PolarHBondContact O-N 3.01Å; I137-E139 PolarHBondContact O-N 2.83Å; I137-E139 VanDerWaalsContact O-N 3.17Å; I137-G140 PolarHBondContact O-N 2.76Å; I137-L142 HydrophobicContact CB-CD1 4.3Å; I137-L142 HydrophobicContact CB-CG 4.2Å; I137-L142 HydrophobicContact CD1-CD1 4.22Å; I137-L142 HydrophobicContact CG2-CD1 4.02Å; I137-L142 HydrophobicContact CG2-CD2 4.02Å; I137-L142 HydrophobicContact CG2-CG 3.87Å; I137-F248 HydrophobicContact CG2-CE1 4.27Å; I137-F248 HydrophobicContact CG2-CZ 4.19Å; I137-H338 HydrophobicContact CD1-CB 4.06Å; I137-M343 HydrophobicContact CD1-CE 3.86Å; I137-M343 HydrophobicContact CD1-CG 3.98Å; I137-M343 HydrophobicContact CG1-CE 3.95Å; I137-M343 HydrophobicContact CG1-CG 4.47Å; I137-M343 HydrophobicContact CG2-CE 4.1Å
138	G	93.8	Very high	96.3	Very high	20 Å²	20	25.3 Å²	25.3	21%	0.206	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.5	-169.2	0	0	0	0	0	115.1	D133 L341	D133-G138 PolarHBondContact OD1-N 3.17Å; D133-G138 WeakPolarHBondContact OD2-CA 3.46Å; D133-G138 PolarHBondContact OD2-N 3.25Å; G138-L341 VanDerWaalsContact CA-O 3.26Å; G138-L341 WeakPolarHBondContact CA-O 3.35Å
139	E	91.9	Very high	96.3	Very high	97 Å²	97	25.9 Å²	25.9	45%	0.453	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	9.2	171.8	-68.5	-176	-176.1	0	0	114	D133 I137	D133-E139 HydrophobicContact CB-CG 4.04Å; I137-E139 PolarHBondContact O-N 2.83Å; I137-E139 VanDerWaalsContact O-N 3.17Å
140	G	94.7	Very high	96.3	Very high	9 Å²	9	32.4 Å²	32.4	9%	0.093	16%	0.159	C	C	.	.			trans	77.8	24.3	176.1	0	0	0	0	0	113.9	I137 L142 E143 T144	I137-G140 PolarHBondContact O-N 2.76Å; G140-L142 PolarHBondContact O-N 3.01Å; G140-E143 PolarHBondContact O-N 2.95Å; G140-T144 PolarHBondContact O-N 3.07Å; G140-T144 PolarHBondContact O-OG1 3.18Å
141	A	96.1	Very high	96.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-49.4	-44.7	175.5	0	0	0	0	0	112	L131 F132 E143 T144 Y145	L131-A141 HydrophobicContact CB-CB 4.42Å; F132-A141 HydrophobicContact CD1-CB 4.31Å; F132-A141 HydrophobicContact CE1-CB 4.24Å; A141-E143 PolarHBondContact O-N 3Å; A141-T144 PolarHBondContact O-N 3.31Å; A141-Y145 HydrophobicContact CB-CD2 4.23Å; A141-Y145 HydrophobicContact CB-CE2 4.31Å; A141-Y145 WeakPolarHBondContact O-CD2 3.35Å; A141-Y145 PolarHBondContact O-N 2.93Å
142	L	97.4	Very high	96.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-44.9	-175.6	-59	-176.1	0	0	0	112.8	I137 G140 T144 R146 F248 F250 I257 L259	I137-L142 HydrophobicContact CB-CD1 4.3Å; I137-L142 HydrophobicContact CB-CG 4.2Å; I137-L142 HydrophobicContact CD1-CD1 4.22Å; I137-L142 HydrophobicContact CG2-CD1 4.02Å; I137-L142 HydrophobicContact CG2-CD2 4.02Å; I137-L142 HydrophobicContact CG2-CG 3.87Å; G140-L142 PolarHBondContact O-N 3.01Å; L142-T144 VanDerWaalsContact C-N 3.34Å; L142-R146 WeakPolarHBondContact O-CB 3.46Å; L142-R146 PolarHBondContact O-N 2.85Å; L142-F248 HydrophobicContact CD1-CD1 4.47Å; L142-F248 HydrophobicContact CD1-CE1 3.96Å; L142-F248 HydrophobicContact CD2-CD1 3.61Å; L142-F248 HydrophobicContact CD2-CE1 3.92Å; L142-F250 HydrophobicContact CD2-CE1 4.18Å; L142-I257 HydrophobicContact CB-CG2 4.3Å; L142-I257 HydrophobicContact CD2-CG2 4.35Å; L142-I257 WeakPolarHBondContact O-CG2 3.44Å; L142-L259 HydrophobicContact CB-CD2 3.86Å
143	E	97	Very high	96.8	Very high	99 Å²	99	33.7 Å²	33.7	46%	0.463	16%	0.164	S	C	.	.	H	α-helix	trans	-66.8	-40.3	177.7	-71	-174.4	-171	0	0	111.2	G140 A141 R146 H147 L259 S340	G140-E143 PolarHBondContact O-N 2.95Å; A141-E143 PolarHBondContact O-N 3Å; E143-R146 PolarHBondContact O-N 3.34Å; E143-H147 WeakPolarHBondContact O-CB 3.49Å; E143-H147 PolarHBondContact O-N 3.49Å; E143-L259 HydrophobicContact CG-CD1 4.06Å; E143-L259 HydrophobicContact CG-CD2 3.74Å; E143-S340 WeakPolarHBondContact OE1-CB 3.37Å; E143-S340 PolarHBondContact OE1-OG 3.32Å
144	T	97.6	Very high	97	Very high	24 Å²	24	34 Å²	34	15%	0.147	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-51.9	179.1	-61.7	0	0	0	0	112.1	I59 L131 G140 A141 L142 R146 H147 A148	I59-T144 HydrophobicContact CD1-CG2 4.01Å; I59-T144 HydrophobicContact CG2-CG2 3.7Å; L131-T144 HydrophobicContact CD1-CG2 3.51Å; G140-T144 PolarHBondContact O-N 3.07Å; G140-T144 PolarHBondContact O-OG1 3.18Å; A141-T144 PolarHBondContact O-N 3.31Å; L142-T144 VanDerWaalsContact C-N 3.34Å; T144-R146 VanDerWaalsContact C-N 3.32Å; T144-R146 PolarHBondContact O-N 2.93Å; T144-H147 PolarHBondContact O-N 3.22Å; T144-A148 WeakPolarHBondContact O-CB 3.26Å; T144-A148 PolarHBondContact O-N 2.99Å
145	Y	98.1	Very high	97	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-39.4	176.4	-80.4	-74.4	0	0	0	111.7	L127 F132 A141 A148 A149 L159 F250	L127-Y145 HydrophobicContact CD2-CD1 3.55Å; L127-Y145 HydrophobicContact CD2-CE1 3.53Å; L127-Y145 HydrophobicContact CG-CE1 4.33Å; F132-Y145 HydrophobicContact CE1-CE2 4.12Å; F132-Y145 AromaticContact CZ-CE2 3.93Å; F132-Y145 HydrophobicContact CZ-CE2 3.93Å; A141-Y145 HydrophobicContact CB-CD2 4.23Å; A141-Y145 HydrophobicContact CB-CE2 4.31Å; A141-Y145 WeakPolarHBondContact O-CD2 3.35Å; A141-Y145 PolarHBondContact O-N 2.93Å; Y145-A148 PolarHBondContact O-N 2.94Å; Y145-A149 VanDerWaalsContact O-CB 3.3Å; Y145-A149 WeakPolarHBondContact O-CB 3.49Å; Y145-A149 PolarHBondContact O-N 3.43Å; Y145-L159 HydrophobicContact CD1-CD2 3.74Å; Y145-L159 HydrophobicContact CE1-CD2 3.86Å; Y145-F250 HydrophobicContact CD1-CB 3.64Å; Y145-F250 HydrophobicContact CD1-CG 4.27Å; Y145-F250 HydrophobicContact CD2-CB 4.25Å; Y145-F250 AromaticContact CD2-CD1 3.74Å; Y145-F250 HydrophobicContact CD2-CD1 3.74Å; Y145-F250 HydrophobicContact CD2-CE1 4.28Å; Y145-F250 HydrophobicContact CD2-CG 4.02Å; Y145-F250 HydrophobicContact CE1-CB 3.86Å; Y145-F250 HydrophobicContact CE1-CG 4.28Å; Y145-F250 HydrophobicContact CE2-CB 4.49Å; Y145-F250 HydrophobicContact CE2-CD1 4.11Å; Y145-F250 HydrophobicContact CE2-CD2 4.4Å; Y145-F250 HydrophobicContact CE2-CE1 4.46Å; Y145-F250 HydrophobicContact CE2-CG 4.09Å; Y145-F250 HydrophobicContact CG-CB 3.85Å; Y145-F250 HydrophobicContact CG-CD1 4.05Å; Y145-F250 HydrophobicContact CG-CG 4.13Å
146	R	97.9	Very high	97	Very high	111 Å²	111	42.7 Å²	42.7	42%	0.419	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-42.9	177.2	-165.3	177.2	89.4	160.4	3.7	112.2	L142 E143 T144 K150 A254 I257	L142-R146 WeakPolarHBondContact O-CB 3.46Å; L142-R146 PolarHBondContact O-N 2.85Å; E143-R146 PolarHBondContact O-N 3.34Å; T144-R146 VanDerWaalsContact C-N 3.32Å; T144-R146 PolarHBondContact O-N 2.93Å; R146-K150 WeakPolarHBondContact O-CB 3.38Å; R146-K150 PolarHBondContact O-N 3.41Å; R146-A254 HydrophobicContact CG-CB 3.88Å; R146-I257 HydrophobicContact CB-CB 4.18Å; R146-I257 HydrophobicContact CB-CD1 4.25Å; R146-I257 HydrophobicContact CB-CG2 4.08Å; R146-I257 HydrophobicContact CG-CB 4.29Å
147	H	98.2	Very high	97	Very high	40 Å²	40	43.2 Å²	43.2	19%	0.185	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-49.5	175	179.2	-88.7	0	0	0	111.1	S111 T112 E143 T144 A149 K150 H151	S111-H147 PolarHBondContact O-CE1 3.12Å; T112-H147 VanDerWaalsContact CA-CE1 3.48Å; T112-H147 WeakPolarHBondContact CA-CE1 3.4Å; T112-H147 HydrophobicContact CG2-CB 4.17Å; T112-H147 PolarHBondContact O-NE2 3.43Å; E143-H147 WeakPolarHBondContact O-CB 3.49Å; E143-H147 PolarHBondContact O-N 3.49Å; T144-H147 PolarHBondContact O-N 3.22Å; H147-A149 PolarHBondContact O-N 3.07Å; H147-K150 PolarHBondContact O-N 3.39Å; H147-K150 VanDerWaalsContact O-N 3.14Å; H147-H151 AromaticContact CD2-CD2 3.45Å; H147-H151 PolarHBondContact CD2-CD2 3.19Å; H147-H151 VanDerWaalsContact CD2-CD2 3.45Å; H147-H151 AromaticContact NE2-CD2 3.44Å; H147-H151 PolarHBondContact NE2-CD2 2.97Å; H147-H151 AromaticContact NE2-CG 3.81Å; H147-H151 PolarHBondContact O-N 3.27Å
148	A	98.5	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-49	179.5	0	0	0	0	0	111.8	I59 L127 T144 Y145 K150 H151 L152 L153	I59-A148 HydrophobicContact CD1-CB 3.95Å; L127-A148 HydrophobicContact CD2-CB 4.22Å; T144-A148 WeakPolarHBondContact O-CB 3.26Å; T144-A148 PolarHBondContact O-N 2.99Å; Y145-A148 PolarHBondContact O-N 2.94Å; A148-K150 PolarHBondContact O-N 2.89Å; A148-H151 PolarHBondContact O-N 3.42Å; A148-L152 HydrophobicContact CB-CB 4.49Å; A148-L152 HydrophobicContact CB-CD1 4.35Å; A148-L152 WeakPolarHBondContact O-CA 3.43Å; A148-L152 PolarHBondContact O-N 2.99Å; A148-L153 HydrophobicContact CB-CD1 4.17Å; A148-L153 HydrophobicContact CB-CG 4.18Å; A148-L153 WeakPolarHBondContact O-CG 3.38Å; A148-L153 PolarHBondContact O-N 3.45Å
149	A	98.2	Very high	97.3	Very high	12 Å²	12	43.1 Å²	43.1	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-33.5	177.8	0	0	0	0	0	113.1	Y145 H147 P252 A254 I257	Y145-A149 VanDerWaalsContact O-CB 3.3Å; Y145-A149 WeakPolarHBondContact O-CB 3.49Å; Y145-A149 PolarHBondContact O-N 3.43Å; H147-A149 PolarHBondContact O-N 3.07Å; A149-P252 HydrophobicContact CB-CB 4.37Å; A149-P252 HydrophobicContact CB-CG 4.1Å; A149-A254 HydrophobicContact CB-CB 4.07Å; A149-I257 HydrophobicContact CB-CD1 4.39Å
150	K	97.7	Very high	97.6	Very high	138 Å²	138	38.5 Å²	38.5	60%	0.6	20%	0.201	S	C	*	.	H	α-helix	trans	-80.9	-45.7	179.3	-172.8	173.4	171.7	-172.6	0	112.4	K123 R146 H147 A148 A254	K123-K150 PolarHBondContact NZ-O 2.87Å; R146-K150 WeakPolarHBondContact O-CB 3.38Å; R146-K150 PolarHBondContact O-N 3.41Å; H147-K150 PolarHBondContact O-N 3.39Å; H147-K150 VanDerWaalsContact O-N 3.14Å; A148-K150 PolarHBondContact O-N 2.89Å; K150-A254 HydrophobicContact CB-CB 4.08Å
151	H	98.2	Very high	97.8	Very high	84 Å²	84	38.1 Å²	38.1	39%	0.389	20%	0.197	S	C	.	.	H	α-helix	trans	-110.6	-31.5	-163.8	-64.9	-72.7	0	0	0	114.6	K123 H147 A148	K123-H151 VanDerWaalsContact CE-O 3.23Å; K123-H151 WeakPolarHBondContact CE-O 3.5Å; H147-H151 AromaticContact CD2-CD2 3.45Å; H147-H151 PolarHBondContact CD2-CD2 3.19Å; H147-H151 VanDerWaalsContact CD2-CD2 3.45Å; H147-H151 AromaticContact NE2-CD2 3.44Å; H147-H151 PolarHBondContact NE2-CD2 2.97Å; H147-H151 AromaticContact NE2-CG 3.81Å; H147-H151 PolarHBondContact O-N 3.27Å; A148-H151 PolarHBondContact O-N 3.42Å
152	L	98.7	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-22.1	-165.7	-50.6	-180	0	0	0	113.9	L57 S111 L114 V116 M120 K123 A124 A148	L57-L152 HydrophobicContact CD2-CB 3.8Å; L57-L152 HydrophobicContact CD2-CD1 3.79Å; L57-L152 HydrophobicContact CD2-CG 4.46Å; S111-L152 WeakPolarHBondContact O-CD1 3.36Å; L114-L152 HydrophobicContact CB-CD1 4.39Å; L114-L152 HydrophobicContact CB-CD2 3.97Å; L114-L152 HydrophobicContact CD1-CD1 4.23Å; V116-L152 HydrophobicContact CG2-CD2 4.3Å; M120-L152 HydrophobicContact CE-CB 4.38Å; M120-L152 HydrophobicContact SD-CB 4.2Å; M120-L152 HydrophobicContact SD-CD2 3.94Å; M120-L152 HydrophobicContact SD-CG 4.47Å; K123-L152 CarbonylContact C-O 3.57Å; K123-L152 WeakPolarHBondContact CA-O 3.46Å; K123-L152 WeakPolarHBondContact CB-O 3.47Å; A124-L152 PolarHBondContact N-O 3.29Å; A148-L152 HydrophobicContact CB-CB 4.49Å; A148-L152 HydrophobicContact CB-CD1 4.35Å; A148-L152 WeakPolarHBondContact O-CA 3.43Å; A148-L152 PolarHBondContact O-N 2.99Å
153	L	98.6	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	151.2	-174.7	-56.2	-177.8	0	0	0	113.1	L57 K123 A124 L127 A148 A157 L159	L57-L153 HydrophobicContact CD2-CD2 4.15Å; K123-L153 WeakPolarHBondContact CD-O 3.5Å; K123-L153 PolarHBondContact NZ-O 2.88Å; A124-L153 HydrophobicContact CB-CD2 4.05Å; A124-L153 WeakPolarHBondContact O-CA 3.15Å; L127-L153 HydrophobicContact CB-CD1 4.02Å; L127-L153 HydrophobicContact CB-CD2 3.91Å; L127-L153 HydrophobicContact CD2-CD1 3.88Å; A148-L153 HydrophobicContact CB-CD1 4.17Å; A148-L153 HydrophobicContact CB-CG 4.18Å; A148-L153 WeakPolarHBondContact O-CG 3.38Å; A148-L153 PolarHBondContact O-N 3.45Å; L153-A157 HydrophobicContact CB-CB 3.9Å; L153-A157 HydrophobicContact CD1-CB 4.27Å; L153-A157 HydrophobicContact CG-CB 4.46Å; L153-L159 HydrophobicContact CD1-CD1 4.21Å
154	T	98.2	Very high	98	Very high	36 Å²	36	34.2 Å²	34.2	22%	0.221	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	156.5	163.4	65.7	0	0	0	0	110.1	K123 A124 N125 D156 A157	K123-T154 HydrophobicContact CB-CG2 3.95Å; A124-T154 PolarHBondContact O-N 2.77Å; N125-T154 HydrophobicContact CB-CG2 4.42Å; T154-D156 WeakPolarHBondContact CB-OD1 3.5Å; T154-D156 PolarHBondContact O-N 3.46Å; T154-D156 PolarHBondContact OG1-OD1 3.24Å; T154-A157 WeakPolarHBondContact O-CB 3.42Å; T154-A157 PolarHBondContact O-N 3.08Å; T154-A157 PolarHBondContact OG1-N 3.16Å
155	S	96.8	Very high	98	Very high	112 Å²	112	34.4 Å²	34.4	78%	0.783	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	-19	-177.3	50.2	0	0	0	0	114
156	D	95.7	Very high	98	Very high	107 Å²	107	34.4 Å²	34.4	57%	0.572	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	12.5	-179.7	64.1	-28.7	0	0	0	113	T154 S158	T154-D156 WeakPolarHBondContact CB-OD1 3.5Å; T154-D156 PolarHBondContact O-N 3.46Å; T154-D156 PolarHBondContact OG1-OD1 3.24Å; D156-S158 PolarHBondContact O-N 3.15Å
157	A	97.9	Very high	98	Very high	12 Å²	12	32.1 Å²	32.1	10%	0.099	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	138.2	-175.4	0	0	0	0	0	112.6	N125 L153 T154 L159	N125-A157 CarbonylContact O-C 3.59Å; N125-A157 VanDerWaalsContact O-CA 3.25Å; N125-A157 WeakPolarHBondContact O-CA 3.49Å; L153-A157 HydrophobicContact CB-CB 3.9Å; L153-A157 HydrophobicContact CD1-CB 4.27Å; L153-A157 HydrophobicContact CG-CB 4.46Å; T154-A157 WeakPolarHBondContact O-CB 3.42Å; T154-A157 PolarHBondContact O-N 3.08Å; T154-A157 PolarHBondContact OG1-N 3.16Å; A157-L159 HydrophobicContact CB-CD1 4.29Å; A157-L159 WeakPolarHBondContact O-CD1 3.41Å
158	S	97.9	Very high	98.1	Very high	13 Å²	13	30.2 Å²	30.2	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.9	172.2	-65.6	0	0	0	0	110.2	R44 N125 V126 L127 D156	R44-S158 PolarHBondContact NH2-OG 3.07Å; N125-S158 PolarHBondContact O-N 2.72Å; V126-S158 CarbonylContact C-O 3.59Å; V126-S158 VanDerWaalsContact CA-O 3.24Å; V126-S158 WeakPolarHBondContact CA-O 3.24Å; L127-S158 PolarHBondContact N-O 3.16Å; D156-S158 PolarHBondContact O-N 3.15Å
159	L	98.3	Very high	98	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.6	-176.8	-80.2	71.8	0	0	0	111.4	L127 Y145 L153 A157 P161 C162 F250	L127-L159 HydrophobicContact CB-CG 4.12Å; L127-L159 HydrophobicContact CD2-CD2 4.15Å; L127-L159 HydrophobicContact CD2-CG 4.2Å; L127-L159 CarbonylContact O-C 3.55Å; L127-L159 WeakPolarHBondContact O-CA 3.35Å; Y145-L159 HydrophobicContact CD1-CD2 3.74Å; Y145-L159 HydrophobicContact CE1-CD2 3.86Å; L153-L159 HydrophobicContact CD1-CD1 4.21Å; A157-L159 HydrophobicContact CB-CD1 4.29Å; A157-L159 WeakPolarHBondContact O-CD1 3.41Å; L159-P161 CarbonylContact O-C 3.52Å; L159-C162 HydrophobicContact CB-CB 4.34Å; L159-C162 WeakPolarHBondContact O-CB 3.43Å; L159-C162 PolarHBondContact O-N 2.9Å; L159-F250 HydrophobicContact CD2-CB 3.73Å; L159-F250 WeakPolarHBondContact CD2-O 3.35Å
160	I	98.7	Very high	98	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	109.5	176	-56.7	160.7	0	0	0	108.9	Y34 A37 I38 T41 V126 L127 V128 A129 M286	Y34-I160 HydrophobicContact CD1-CG2 4.09Å; Y34-I160 HydrophobicContact CE1-CG2 4.31Å; A37-I160 HydrophobicContact CB-CG2 3.78Å; I38-I160 HydrophobicContact CB-CD1 4.31Å; I38-I160 HydrophobicContact CG1-CD1 3.79Å; I38-I160 HydrophobicContact CG1-CG2 4.45Å; T41-I160 HydrophobicContact CG2-CD1 4.22Å; V126-I160 HydrophobicContact CG1-CD1 4.45Å; L127-I160 PolarHBondContact O-N 2.91Å; V128-I160 WeakPolarHBondContact CA-O 3.34Å; V128-I160 HydrophobicContact CG1-CB 4.2Å; V128-I160 HydrophobicContact CG1-CD1 4.06Å; A129-I160 PolarHBondContact N-O 2.97Å; A129-I160 VanDerWaalsContact N-O 3.16Å; I160-M286 WeakPolarHBondContact CA-O 3.14Å; I160-M286 HydrophobicContact CG2-CE 4.11Å
161	P	98.3	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	S	Bend	cis	-70.4	154.8	-7.7	32.4	-36.8	0	0	0	112.4	Y34 A129 F132 L159 L284 Q285 M286	Y34-P161 WeakPolarHBondContact OH-CD 3.22Å; A129-P161 WeakPolarHBondContact O-CD 3.43Å; F132-P161 HydrophobicContact CE2-CG 3.36Å; F132-P161 HydrophobicContact CZ-CG 3.42Å; F132-P161 VanDerWaalsContact CZ-CG 3.42Å; L159-P161 CarbonylContact O-C 3.52Å; P161-L284 HydrophobicContact CB-CB 4Å; P161-L284 HydrophobicContact CB-CD2 4.3Å; P161-L284 HydrophobicContact CG-CB 4.43Å; P161-L284 HydrophobicContact CG-CD1 4.2Å; P161-L284 HydrophobicContact CG-CD2 3.99Å; P161-L284 HydrophobicContact CG-CG 4.42Å; P161-Q285 WeakPolarHBondContact CB-O 3.22Å; P161-M286 HydrophobicContact CB-SD 4.26Å
162	C	97.5	Very high	98	Very high	17 Å²	17	20.9 Å²	20.9	12%	0.115	12%	0.12	C	C	.	.			trans	-90.1	-25.5	-179	66.5	0	0	0	0	113.9	L159 F250 Q285 E287 P288	L159-C162 HydrophobicContact CB-CB 4.34Å; L159-C162 WeakPolarHBondContact O-CB 3.43Å; L159-C162 PolarHBondContact O-N 2.9Å; C162-F250 PolarHBondContact O-N 3.22Å; C162-Q285 PolarHBondContact N-O 2.83Å; C162-Q285 PolarHBondContact SG-O 2.62Å; C162-Q285 VanDerWaalsContact SG-O 3.39Å; C162-E287 VanDerWaalsContact SG-C 3.53Å; C162-P288 HydrophobicContact CB-CG 4.35Å
163	A	98	Very high	97.9	Very high	1 Å²	1	21 Å²	21	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	162.3	-178.3	0	0	0	0	0	111.6	R247 F248 Q285	A163-R247 VanDerWaalsContact CB-NH2 3.29Å; A163-F248 CarbonylContact C-O 3.5Å; A163-F248 WeakPolarHBondContact CA-O 3.19Å; A163-F248 VanDerWaalsContact CB-O 3.22Å; A163-F248 WeakPolarHBondContact CB-O 3.3Å; A163-Q285 HydrophobicContact CB-CB 4.21Å; A163-Q285 PolarHBondContact N-O 3.14Å; A163-Q285 PolarHBondContact O-N 3.11Å
164	A	98.3	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.6	172.7	0	0	0	0	0	111	L136 R247 F248 F250 S283 L284	L136-A164 HydrophobicContact CD1-CB 3.76Å; L136-A164 HydrophobicContact CD2-CB 3.56Å; L136-A164 HydrophobicContact CG-CB 4.28Å; A164-R247 CarbonylContact O-C 3.6Å; A164-R247 WeakPolarHBondContact O-CA 3.43Å; A164-F248 HydrophobicContact CB-CB 4.35Å; A164-F248 PolarHBondContact N-O 3.21Å; A164-F248 PolarHBondContact O-N 3.31Å; A164-F250 HydrophobicContact CB-CE2 3.85Å; A164-F250 HydrophobicContact CB-CZ 3.78Å; A164-S283 CarbonylContact C-O 3.57Å; A164-S283 VanDerWaalsContact CA-O 3.28Å; A164-S283 WeakPolarHBondContact CA-O 3.47Å; A164-L284 HydrophobicContact CB-CD2 3.77Å
165	Q	98.3	Very high	97.6	Very high	29 Å²	29	23.8 Å²	23.8	14%	0.136	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.5	174.3	-179.3	59.3	65.7	0	0	109.3	Y167 K246 W282 S283	Q165-Y167 HydrophobicContact CB-CE2 3.9Å; Q165-Y167 HydrophobicContact CG-CD2 4.26Å; Q165-Y167 HydrophobicContact CG-CE1 3.89Å; Q165-Y167 HydrophobicContact CG-CE2 3.57Å; Q165-Y167 WeakPolarHBondContact CG-OH 3.5Å; Q165-Y167 WeakPolarHBondContact O-CD2 2.91Å; Q165-Y167 WeakPolarHBondContact O-CE2 3.44Å; Q165-K246 PolarHBondContact NE2-O 2.97Å; Q165-W282 CarbonylContact O-C 3.5Å; Q165-W282 WeakPolarHBondContact O-CA 3.34Å; Q165-W282 WeakPolarHBondContact O-CB 3.08Å; Q165-S283 PolarHBondContact N-O 2.92Å; Q165-S283 PolarHBondContact O-N 3.27Å
166	V	98.6	Very high	97.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141.5	171.9	179.9	0	0	0	0	109.3	L136 S244 V245 K246 F248 V280 W281 W282 M343	L136-V166 HydrophobicContact CD2-CG2 3.85Å; V166-S244 CarbonylContact O-C 3.53Å; V166-V245 HydrophobicContact CB-CB 4.12Å; V166-V245 HydrophobicContact CG1-CB 3.93Å; V166-V245 HydrophobicContact CG1-CG1 4.33Å; V166-V245 HydrophobicContact CG1-CG2 4.27Å; V166-V245 PolarHBondContact O-N 3.45Å; V166-K246 PolarHBondContact N-O 3.4Å; V166-F248 HydrophobicContact CG2-CD2 4.21Å; V166-F248 HydrophobicContact CG2-CE2 3.76Å; V166-V280 HydrophobicContact CG1-CG1 3.65Å; V166-W281 CarbonylContact C-O 3.57Å; V166-W281 WeakPolarHBondContact CA-O 3.43Å; V166-W282 HydrophobicContact CG2-CB 4.34Å; V166-M343 HydrophobicContact CG1-SD 4.43Å; V166-M343 HydrophobicContact CG2-CE 3.92Å; V166-M343 HydrophobicContact CG2-SD 4.37Å
167	Y	98.6	Very high	97.6	Very high	63 Å²	63	14.8 Å²	14.8	25%	0.247	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.8	176.1	-59	-91.7	0	0	0	110.2	Q165 R243 V280 W281	Q165-Y167 HydrophobicContact CB-CE2 3.9Å; Q165-Y167 HydrophobicContact CG-CD2 4.26Å; Q165-Y167 HydrophobicContact CG-CE1 3.89Å; Q165-Y167 HydrophobicContact CG-CE2 3.57Å; Q165-Y167 WeakPolarHBondContact CG-OH 3.5Å; Q165-Y167 WeakPolarHBondContact O-CD2 2.91Å; Q165-Y167 WeakPolarHBondContact O-CE2 3.44Å; Y167-R243 CarbonylContact C-O 3.57Å; Y167-R243 VanDerWaalsContact CA-O 3.23Å; Y167-R243 WeakPolarHBondContact CA-O 3.4Å; Y167-V280 WeakPolarHBondContact O-CA 3.26Å; Y167-V280 WeakPolarHBondContact O-CG1 3.33Å; Y167-W281 AromaticContact CD2-CD1 3.93Å; Y167-W281 AromaticContact CD2-NE1 3.66Å; Y167-W281 HydrophobicContact CG-CZ2 4.47Å; Y167-W281 AromaticContact CG-NE1 3.8Å; Y167-W281 PolarHBondContact N-O 2.95Å; Y167-W281 PolarHBondContact O-N 2.92Å; Y167-W281 VanDerWaalsContact O-N 3.16Å
168	L	98.4	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.7	178.7	173.9	152.4	0	0	0	110.4	V170 P242 R243 V245 F278 V279 V280 V334 F345	L168-V170 HydrophobicContact CD2-CG2 3.7Å; L168-P242 CarbonylContact O-C 3.53Å; L168-P242 WeakPolarHBondContact O-CA 3.41Å; L168-R243 PolarHBondContact N-O 2.77Å; L168-R243 PolarHBondContact O-N 2.86Å; L168-V245 HydrophobicContact CB-CG2 3.4Å; L168-V245 VanDerWaalsContact CB-CG2 3.4Å; L168-V245 HydrophobicContact CD1-CG2 4.47Å; L168-F278 HydrophobicContact CD1-CB 3.87Å; L168-F278 HydrophobicContact CD1-CD1 3.81Å; L168-F278 HydrophobicContact CD1-CG 3.99Å; L168-F278 HydrophobicContact CD2-CD1 4.09Å; L168-F278 HydrophobicContact CG-CB 4.21Å; L168-F278 HydrophobicContact CG-CD1 4.23Å; L168-V279 CarbonylContact C-O 3.57Å; L168-V279 WeakPolarHBondContact CA-O 3.33Å; L168-V280 HydrophobicContact CB-CG2 4.28Å; L168-V280 HydrophobicContact CD1-CG2 4.07Å; L168-V280 HydrophobicContact CG-CG2 4.24Å; L168-V334 HydrophobicContact CD1-CG1 4.25Å; L168-F345 HydrophobicContact CD1-CD1 3.31Å; L168-F345 HydrophobicContact CD1-CE1 3.5Å; L168-F345 VanDerWaalsContact CD1-CE1 3.5Å; L168-F345 HydrophobicContact CD1-CG 4.1Å; L168-F345 HydrophobicContact CD1-CZ 4.44Å
169	Q	98.1	Very high	97.4	Very high	3 Å²	3	13.7 Å²	13.7	1%	0.014	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.6	164.5	-179.8	59.9	-84.5	0	0	109.4	V171 C237 L239 F278 V279 W281 W301	Q169-V171 HydrophobicContact CB-CG1 4.39Å; Q169-V171 HydrophobicContact CG-CG1 3.69Å; Q169-C237 HydrophobicContact CG-CB 4.06Å; Q169-L239 PolarHBondContact NE2-O 3.19Å; Q169-L239 VanDerWaalsContact NE2-O 3.1Å; Q169-L239 VanDerWaalsContact OE1-CG 3.26Å; Q169-F278 WeakPolarHBondContact O-CA 3.31Å; Q169-V279 PolarHBondContact N-O 2.67Å; Q169-V279 PolarHBondContact O-N 3.08Å; Q169-W281 HydrophobicContact CB-CH2 4.06Å; Q169-W281 HydrophobicContact CB-CZ3 3.97Å; Q169-W301 HydrophobicContact CB-CH2 3.7Å; Q169-W301 HydrophobicContact CB-CZ3 4.47Å; Q169-W301 HydrophobicContact CG-CH2 3.68Å; Q169-W301 HydrophobicContact CG-CZ3 4.19Å
170	V	98.3	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.8	171.8	-174.6	0	0	0	0	107.3	L168 L238 L239 A275 F278 L326 F332 V334	L168-V170 HydrophobicContact CD2-CG2 3.7Å; V170-L238 HydrophobicContact CB-CB 4.45Å; V170-L238 HydrophobicContact CG1-CB 4.42Å; V170-L238 HydrophobicContact CG1-CD1 4.2Å; V170-L238 PolarHBondContact O-N 3.44Å; V170-L239 HydrophobicContact CB-CD1 4.46Å; V170-L239 HydrophobicContact CB-CG 4.15Å; V170-L239 HydrophobicContact CG2-CD1 3.95Å; V170-L239 HydrophobicContact CG2-CD2 4.37Å; V170-L239 HydrophobicContact CG2-CG 4.11Å; V170-A275 HydrophobicContact CG1-CB 3.55Å; V170-F278 HydrophobicContact CG1-CE1 4.47Å; V170-F278 HydrophobicContact CG2-CD1 3.96Å; V170-F278 HydrophobicContact CG2-CE1 3.99Å; V170-L326 HydrophobicContact CG1-CD1 4.27Å; V170-F332 HydrophobicContact CB-CZ 4.46Å; V170-F332 HydrophobicContact CG1-CZ 4.45Å; V170-F332 HydrophobicContact CG2-CE2 4.1Å; V170-F332 HydrophobicContact CG2-CZ 3.96Å; V170-V334 HydrophobicContact CG2-CG2 4.33Å
171	V	97.8	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.8	-173.8	-57.7	0	0	0	0	112.7	Q169 L176 L235 R236 H276 A277 V279	Q169-V171 HydrophobicContact CB-CG1 4.39Å; Q169-V171 HydrophobicContact CG-CG1 3.69Å; V171-L176 HydrophobicContact CG2-CD1 3.91Å; V171-L235 HydrophobicContact CB-CD1 4.44Å; V171-L235 HydrophobicContact CG1-CD1 3.97Å; V171-R236 CarbonylContact C-O 3.56Å; V171-R236 VanDerWaalsContact CA-O 3.26Å; V171-R236 WeakPolarHBondContact CA-O 3.44Å; V171-H276 PolarHBondContact O-N 3.2Å; V171-A277 HydrophobicContact CG2-CB 3.97Å; V171-A277 WeakPolarHBondContact CG2-O 2.99Å; V171-A277 PolarHBondContact N-O 2.93Å; V171-A277 PolarHBondContact O-N 2.85Å; V171-V279 HydrophobicContact CG1-CG2 3.97Å; V171-V279 HydrophobicContact CG2-CG2 3.91Å
172	E	97.3	Very high	96.8	Very high	36 Å²	36	14.1 Å²	14.1	17%	0.168	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.3	160.4	172.7	154.9	-159.9	0	0	108.9	L235 R236 L238 G273 T274 H276	E172-L235 CarbonylContact O-C 3.58Å; E172-L235 VanDerWaalsContact O-CA 3.25Å; E172-L235 WeakPolarHBondContact O-CA 3.43Å; E172-R236 HydrophobicContact CB-CB 4.38Å; E172-R236 PolarHBondContact N-O 3.28Å; E172-R236 PolarHBondContact O-N 2.97Å; E172-R236 IonicContact OE2-CZ 3.47Å; E172-R236 IonicContact OE2-NE 3.53Å; E172-R236 IonicContact OE2-NH2 3.82Å; E172-R236 PolarHBondContact OE2-NH2 2.89Å; E172-L238 HydrophobicContact CB-CD1 4.41Å; E172-L238 HydrophobicContact CB-CD2 4.06Å; E172-L238 HydrophobicContact CB-CG 4.39Å; E172-G273 WeakPolarHBondContact OE2-CA 3.46Å; E172-T274 WeakPolarHBondContact CA-O 3.17Å; E172-T274 WeakPolarHBondContact CB-O 3.26Å; E172-T274 PolarHBondContact OE2-N 3.34Å; E172-H276 IonicContact OE1-CE1 3.71Å
173	S	96.3	Very high	96.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.014	7%	0.066	C	C	.	.			trans	-155.3	111.6	175.2	179.1	0	0	0	0	110.4	F175 L176 W177 Q234 H276	S173-F175 PolarHBondContact O-N 3.25Å; S173-F175 PolarHBondContact OG-N 3.2Å; S173-L176 PolarHBondContact O-N 3.2Å; S173-L176 PolarHBondContact OG-N 2.74Å; S173-L176 VanDerWaalsContact OG-N 3.1Å; S173-W177 WeakPolarHBondContact O-CB 3.07Å; S173-W177 PolarHBondContact O-N 3.18Å; S173-Q234 VanDerWaalsContact CB-O 3.31Å; S173-Q234 WeakPolarHBondContact CB-O 3.05Å; S173-Q234 PolarHBondContact OG-O 3.09Å; S173-H276 PolarHBondContact N-ND1 3.04Å
174	Q	94.9	Very high	96.1	Very high	94 Å²	94	19 Å²	19	44%	0.439	9%	0.092	S	C	.	.	H	α-helix	trans	-62.7	-31.9	171.5	-67.2	-61	-26.7	0	0	111.2	S178 F183 H276	Q174-S178 WeakPolarHBondContact O-CB 3.37Å; Q174-S178 PolarHBondContact O-N 3.2Å; Q174-S178 PolarHBondContact O-OG 2.6Å; Q174-F183 WeakPolarHBondContact O-CZ 3.44Å; Q174-H276 PolarHBondContact NE2-CE1 3.34Å; Q174-H276 PolarHBondContact NE2-NE2 2.8Å
175	F	95.5	Very high	95.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-63.7	-49.3	175.6	172.9	-102.8	0	0	0	112.4	S173 S178 H179 I221 R233 W597 S692 R693	S173-F175 PolarHBondContact O-N 3.25Å; S173-F175 PolarHBondContact OG-N 3.2Å; F175-S178 PolarHBondContact O-N 3.13Å; F175-S178 PolarHBondContact O-OG 3.27Å; F175-H179 AromaticContact CD2-CE1 3.97Å; F175-H179 AromaticContact CE1-CE1 3.99Å; F175-H179 AromaticContact CE2-CE1 3.39Å; F175-H179 WeakPolarHBondContact CE2-CE1 3.47Å; F175-H179 AromaticContact CZ-CE1 3.39Å; F175-H179 WeakPolarHBondContact CZ-CE1 3.49Å; F175-H179 PolarHBondContact O-ND1 3.47Å; F175-I221 HydrophobicContact CD1-CD1 3.87Å; F175-I221 HydrophobicContact CD1-CG1 4.28Å; F175-I221 HydrophobicContact CE1-CD1 3.85Å; F175-I221 HydrophobicContact CE1-CG1 4.15Å; F175-R233 HydrophobicContact CD1-CG 4.35Å; F175-R233 HydrophobicContact CD2-CG 3.85Å; F175-R233 HydrophobicContact CE1-CG 4.25Å; F175-R233 HydrophobicContact CE2-CG 3.72Å; F175-R233 HydrophobicContact CG-CB 4.4Å; F175-R233 HydrophobicContact CG-CG 4.15Å; F175-R233 HydrophobicContact CZ-CG 3.94Å; F175-W597 AromaticContact CE1-CH2 3.85Å; F175-W597 HydrophobicContact CE1-CH2 3.85Å; F175-W597 HydrophobicContact CE1-CZ2 4.36Å; F175-W597 HydrophobicContact CE1-CZ3 4.23Å; F175-W597 AromaticContact CZ-CH2 3.77Å; F175-W597 HydrophobicContact CZ-CH2 3.77Å; F175-W597 AromaticContact CZ-CZ2 3.88Å; F175-W597 HydrophobicContact CZ-CZ2 3.88Å; F175-W597 HydrophobicContact CZ-CZ3 4.15Å; F175-S692 WeakPolarHBondContact CE2-O 3.23Å; F175-R693 HydrophobicContact CE2-CG 4.42Å
176	L	97	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-43.1	176.9	-63.9	177.8	0	0	0	110.5	V171 S173 S178 H179 F214 I216 I221 A277 V279 V317 F319	V171-L176 HydrophobicContact CG2-CD1 3.91Å; S173-L176 PolarHBondContact O-N 3.2Å; S173-L176 PolarHBondContact OG-N 2.74Å; S173-L176 VanDerWaalsContact OG-N 3.1Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 3.01Å; L176-H179 WeakPolarHBondContact O-CB 3.38Å; L176-H179 PolarHBondContact O-N 3.3Å; L176-F214 HydrophobicContact CD2-CE1 4.26Å; L176-I216 HydrophobicContact CD2-CD1 3.61Å; L176-I221 HydrophobicContact CD1-CD1 4.49Å; L176-I221 HydrophobicContact CD2-CD1 3.63Å; L176-I221 HydrophobicContact CG-CD1 4.17Å; L176-A277 HydrophobicContact CB-CB 4.15Å; L176-A277 HydrophobicContact CD1-CB 3.95Å; L176-V279 HydrophobicContact CD1-CG2 4.42Å; L176-V317 HydrophobicContact CD1-CG1 4.12Å; L176-V317 HydrophobicContact CD1-CG2 4.43Å; L176-V317 HydrophobicContact CD2-CG1 4.31Å; L176-V317 HydrophobicContact CD2-CG2 4.24Å; L176-F319 HydrophobicContact CB-CE1 4.16Å; L176-F319 WeakPolarHBondContact O-CE1 3.34Å; L176-F319 WeakPolarHBondContact O-CZ 3.44Å
177	W	96.1	Very high	95.3	Very high	30 Å²	30	26.2 Å²	26.2	11%	0.114	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-35.2	179.3	-163.3	-126.1	0	0	0	112.7	S173 H179 H180 R181 F183 H276 F319 A323	S173-W177 WeakPolarHBondContact O-CB 3.07Å; S173-W177 PolarHBondContact O-N 3.18Å; W177-H179 PolarHBondContact O-N 3.08Å; W177-H180 HydrophobicContact CE3-CB 4.41Å; W177-H180 AromaticContact CE3-CD2 3.9Å; W177-H180 AromaticContact CH2-CD2 3.63Å; W177-H180 AromaticContact CZ3-CD2 3.36Å; W177-H180 WeakPolarHBondContact CZ3-CD2 3.5Å; W177-H180 PolarHBondContact O-N 2.72Å; W177-R181 HydrophobicContact CD2-CG 4.39Å; W177-R181 HydrophobicContact CH2-CG 4.1Å; W177-R181 HydrophobicContact CZ2-CB 4.38Å; W177-R181 HydrophobicContact CZ2-CG 3.55Å; W177-R181 PolarHBondContact O-N 2.79Å; W177-F183 HydrophobicContact CB-CE1 4.18Å; W177-F183 HydrophobicContact CB-CZ 4.4Å; W177-F183 AromaticContact CD1-CE1 3.43Å; W177-F183 VanDerWaalsContact CD1-CE1 3.43Å; W177-F183 HydrophobicContact CG-CE1 4.08Å; W177-H276 HydrophobicContact CB-CB 4.04Å; W177-H276 AromaticContact CD1-CD2 3.71Å; W177-H276 HydrophobicContact CD2-CB 4.44Å; W177-H276 AromaticContact CD2-CD2 3.76Å; W177-H276 HydrophobicContact CE3-CB 4.21Å; W177-H276 HydrophobicContact CG-CB 4.39Å; W177-H276 AromaticContact CG-CD2 3.44Å; W177-H276 VanDerWaalsContact CG-CD2 3.44Å; W177-H276 WeakPolarHBondContact CZ3-O 3.49Å; W177-F319 HydrophobicContact CE3-CD1 4.05Å; W177-F319 HydrophobicContact CZ3-CB 4.44Å; W177-F319 HydrophobicContact CZ3-CD1 4.24Å; W177-A323 HydrophobicContact CH2-CB 4.17Å; W177-A323 HydrophobicContact CZ2-CB 3.89Å
178	S	95.7	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-21.7	177.4	71.2	0	0	0	0	113.3	Q174 F175 L176 H180 I386 S387 N390	Q174-S178 WeakPolarHBondContact O-CB 3.37Å; Q174-S178 PolarHBondContact O-N 3.2Å; Q174-S178 PolarHBondContact O-OG 2.6Å; F175-S178 PolarHBondContact O-N 3.13Å; F175-S178 PolarHBondContact O-OG 3.27Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 3.01Å; S178-H180 VanDerWaalsContact C-N 3.26Å; S178-I386 CarbonylContact O-C 3.52Å; S178-I386 WeakPolarHBondContact O-CG2 3.3Å; S178-S387 WeakPolarHBondContact O-CA 3.19Å; S178-S387 PolarHBondContact O-N 2.96Å; S178-S387 PolarHBondContact OG-OG 2.94Å; S178-N390 PolarHBondContact O-ND2 2.88Å; S178-N390 VanDerWaalsContact O-ND2 3.13Å
179	H	95.9	Very high	94.8	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.2	172.4	-71	84.5	0	0	0	113.5	F175 L176 W177 F214 R383 S387	F175-H179 AromaticContact CD2-CE1 3.97Å; F175-H179 AromaticContact CE1-CE1 3.99Å; F175-H179 AromaticContact CE2-CE1 3.39Å; F175-H179 WeakPolarHBondContact CE2-CE1 3.47Å; F175-H179 AromaticContact CZ-CE1 3.39Å; F175-H179 WeakPolarHBondContact CZ-CE1 3.49Å; F175-H179 PolarHBondContact O-ND1 3.47Å; L176-H179 WeakPolarHBondContact O-CB 3.38Å; L176-H179 PolarHBondContact O-N 3.3Å; W177-H179 PolarHBondContact O-N 3.08Å; H179-F214 HydrophobicContact CB-CD1 4.38Å; H179-F214 HydrophobicContact CB-CE1 3.73Å; H179-F214 HydrophobicContact CB-CZ 4.1Å; H179-F214 AromaticContact CD2-CZ 3.58Å; H179-F214 AromaticContact CG-CE1 3.72Å; H179-F214 AromaticContact CG-CZ 3.76Å; H179-R383 HydrophobicContact CB-CB 4.21Å; H179-R383 VanDerWaalsContact O-CB 3.32Å; H179-R383 WeakPolarHBondContact O-CB 3.29Å; H179-R383 VanDerWaalsContact O-CG 3.31Å; H179-R383 WeakPolarHBondContact O-CG 3.32Å; H179-R383 PolarHBondContact O-NH1 3.17Å; H179-S387 PolarHBondContact CE1-OG 3.18Å; H179-S387 PolarHBondContact ND1-OG 3.05Å; H179-S387 WeakPolarHBondContact NE2-CB 3.4Å; H179-S387 PolarHBondContact NE2-OG 2.84Å
180	H	95.3	Very high	94.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-26.6	-178.2	-177.2	67.8	0	0	0	113.1	W177 S178 S208 F319 H378	W177-H180 HydrophobicContact CE3-CB 4.41Å; W177-H180 AromaticContact CE3-CD2 3.9Å; W177-H180 AromaticContact CH2-CD2 3.63Å; W177-H180 AromaticContact CZ3-CD2 3.36Å; W177-H180 WeakPolarHBondContact CZ3-CD2 3.5Å; W177-H180 PolarHBondContact O-N 2.72Å; S178-H180 VanDerWaalsContact C-N 3.26Å; H180-S208 PolarHBondContact CE1-O 3.19Å; H180-F319 HydrophobicContact CB-CB 4.48Å; H180-F319 HydrophobicContact CB-CD1 3.56Å; H180-F319 HydrophobicContact CB-CD2 3.97Å; H180-F319 HydrophobicContact CB-CE1 3.65Å; H180-F319 HydrophobicContact CB-CE2 4.05Å; H180-F319 HydrophobicContact CB-CG 3.72Å; H180-F319 HydrophobicContact CB-CZ 3.88Å; H180-F319 AromaticContact CD2-CG 3.88Å; H180-F319 AromaticContact CE1-CG 3.99Å; H180-F319 AromaticContact CG-CD1 3.76Å; H180-F319 AromaticContact CG-CD2 3.85Å; H180-F319 AromaticContact CG-CG 3.48Å; H180-F319 VanDerWaalsContact CG-CG 3.48Å; H180-F319 AromaticContact ND1-CD2 3.62Å; H180-F319 AromaticContact ND1-CG 3.6Å; H180-H378 PolarHBondContact O-CD2 2.89Å; H180-H378 PolarHBondContact O-NE2 2.83Å
181	R	93.6	Very high	93.8	Very high	12 Å²	12	38.5 Å²	38.5	5%	0.045	20%	0.197	C	C	.	.			trans	-139.6	141.4	-176.6	-74	-65.1	-168.7	-84.8	-15	111.7	W177 C207 K321 H378 N390	W177-R181 HydrophobicContact CD2-CG 4.39Å; W177-R181 HydrophobicContact CH2-CG 4.1Å; W177-R181 HydrophobicContact CZ2-CB 4.38Å; W177-R181 HydrophobicContact CZ2-CG 3.55Å; W177-R181 PolarHBondContact O-N 2.79Å; R181-C207 PolarHBondContact NH1-O 3.49Å; R181-C207 VanDerWaalsContact NH1-O 3.16Å; R181-C207 PolarHBondContact NH2-O 3.16Å; R181-K321 PolarHBondContact NH2-O 3.5Å; R181-H378 PolarHBondContact NH1-CE1 3.39Å; R181-H378 PolarHBondContact NH1-NE2 3.16Å; R181-N390 PolarHBondContact O-ND2 3.23Å
182	L	92.8	Very high	93.5	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	20%	0.198	C	C	.	.			trans	-66.8	137.6	156	-65.7	176.2	0	0	0	108.4	F199 Q200 L377 W381 I386 L389 N390 Y427	L182-F199 HydrophobicContact CD1-CD1 3.97Å; L182-F199 HydrophobicContact CD1-CE1 3.95Å; L182-Q200 VanDerWaalsContact C-NE2 3.29Å; L182-Q200 HydrophobicContact CB-CG 4.06Å; L182-Q200 HydrophobicContact CD1-CG 4.39Å; L182-Q200 PolarHBondContact O-NE2 3.12Å; L182-Q200 PolarHBondContact O-OE1 3.33Å; L182-L377 HydrophobicContact CD1-CD1 4.19Å; L182-W381 HydrophobicContact CD1-CZ3 4.41Å; L182-I386 HydrophobicContact CD2-CG2 4.03Å; L182-I386 HydrophobicContact CG-CG2 4.24Å; L182-L389 HydrophobicContact CD2-CB 3.8Å; L182-L389 HydrophobicContact CD2-CD1 4.15Å; L182-N390 WeakPolarHBondContact CA-OD1 3.17Å; L182-Y427 HydrophobicContact CD2-CE1 4.47Å
183	F	92.2	Very high	93.3	Very high	32 Å²	32	40.4 Å²	40.4	14%	0.14	22%	0.218	C	C	.	.			trans	-83.9	139.9	-179.7	-67.8	-9.3	0	0	0	110.4	Q174 W177 F185 Q200 N390	Q174-F183 WeakPolarHBondContact O-CZ 3.44Å; W177-F183 HydrophobicContact CB-CE1 4.18Å; W177-F183 HydrophobicContact CB-CZ 4.4Å; W177-F183 AromaticContact CD1-CE1 3.43Å; W177-F183 VanDerWaalsContact CD1-CE1 3.43Å; W177-F183 HydrophobicContact CG-CE1 4.08Å; F183-F185 HydrophobicContact CB-CD1 4.08Å; F183-F185 VanDerWaalsContact O-CD1 3.23Å; F183-F185 WeakPolarHBondContact O-CD1 2.99Å; F183-F185 PolarHBondContact O-N 3.13Å; F183-Q200 VanDerWaalsContact C-NE2 3.29Å; F183-Q200 PolarHBondContact O-NE2 3.33Å; F183-N390 HydrophobicContact CD2-CB 4.2Å; F183-N390 HydrophobicContact CE2-CB 4.49Å; F183-N390 HydrophobicContact CG-CB 4.47Å; F183-N390 PolarHBondContact N-OD1 3.37Å
184	P	89.4	Confident	93.1	Very high	88 Å²	88	40.5 Å²	40.5	57%	0.571	22%	0.219	S	C	*	.			trans	-73.9	108.5	168.8	30.6	-31.8	0	0	0	107.8	K197	P184-K197 HydrophobicContact CB-CB 4.33Å
185	F	91.7	Very high	92.9	Very high	28 Å²	28	38.1 Å²	38.1	12%	0.123	21%	0.209	C	C	.	.			trans	-141.1	154.1	173	65.1	-92.6	0	0	0	110.5	F183 I187 I196 K395 Y427	F183-F185 HydrophobicContact CB-CD1 4.08Å; F183-F185 VanDerWaalsContact O-CD1 3.23Å; F183-F185 WeakPolarHBondContact O-CD1 2.99Å; F183-F185 PolarHBondContact O-N 3.13Å; F185-I187 HydrophobicContact CD2-CB 4.43Å; F185-I187 HydrophobicContact CE2-CB 4.14Å; F185-I196 HydrophobicContact CD1-CG1 4.29Å; F185-I196 HydrophobicContact CD2-CG1 3.94Å; F185-I196 HydrophobicContact CE1-CB 4.4Å; F185-I196 HydrophobicContact CE1-CG1 3.95Å; F185-I196 HydrophobicContact CE1-CG2 4.43Å; F185-I196 HydrophobicContact CE2-CD1 4.35Å; F185-I196 HydrophobicContact CE2-CG1 3.56Å; F185-I196 HydrophobicContact CG-CG1 4.28Å; F185-I196 HydrophobicContact CZ-CB 4.49Å; F185-I196 HydrophobicContact CZ-CD1 4.33Å; F185-I196 HydrophobicContact CZ-CG1 3.58Å; F185-I196 WeakPolarHBondContact O-CB 3.2Å; F185-I196 WeakPolarHBondContact O-CG1 3.25Å; F185-I196 PolarHBondContact O-N 2.77Å; F185-K395 VanDerWaalsContact CD1-NZ 3.33Å; F185-K395 HydrophobicContact CD2-CD 4.03Å; F185-K395 HydrophobicContact CE1-CD 4.42Å; F185-K395 VanDerWaalsContact CE1-CE 3.48Å; F185-K395 HydrophobicContact CE2-CD 3.55Å; F185-K395 HydrophobicContact CE2-CG 3.74Å; F185-K395 HydrophobicContact CZ-CD 3.77Å; F185-K395 HydrophobicContact CZ-CG 3.79Å; F185-Y427 WeakPolarHBondContact CZ-OH 3.42Å
186	Q	93.4	Very high	92.7	Very high	145 Å²	145	38.1 Å²	38.1	68%	0.678	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.7	171.9	-67.1	-178.4	-6.9	0	0	110	I194 D195	Q186-I194 CarbonylContact C-O 3.56Å; Q186-I194 VanDerWaalsContact CA-O 3.29Å; Q186-I194 WeakPolarHBondContact CA-O 3.28Å; Q186-D195 HydrophobicContact CG-CB 4.24Å
187	I	93.5	Very high	92.3	Very high	10 Å²	10	43 Å²	43	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.9	172.4	-167.8	167.5	0	0	0	109	F185 I189 A193 I194 I196 K395 T399 L431	F185-I187 HydrophobicContact CD2-CB 4.43Å; F185-I187 HydrophobicContact CE2-CB 4.14Å; I187-I189 HydrophobicContact CD1-CD1 4.25Å; I187-I189 HydrophobicContact CD1-CG1 4.41Å; I187-I189 HydrophobicContact CG1-CD1 4.37Å; I187-I189 HydrophobicContact CG1-CG1 4.05Å; I187-I189 HydrophobicContact CG2-CD1 4.47Å; I187-A193 WeakPolarHBondContact O-CA 3.34Å; I187-I194 HydrophobicContact CG2-CB 3.92Å; I187-I194 PolarHBondContact N-O 3.03Å; I187-I194 PolarHBondContact O-N 3.21Å; I187-I196 HydrophobicContact CG2-CD1 4.18Å; I187-K395 HydrophobicContact CD1-CB 4.39Å; I187-T399 WeakPolarHBondContact CD1-OG1 3.49Å; I187-L431 HydrophobicContact CD1-CD1 4.42Å; I187-L431 HydrophobicContact CG2-CD2 3.86Å
188	K	93.6	Very high	91.8	Very high	145 Å²	145	46.2 Å²	46.2	63%	0.63	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107	118.6	176.4	-173.9	179.9	177.9	-177.3	0	109.4	G190 T192	K188-G190 WeakPolarHBondContact CE-O 3.5Å; K188-T192 WeakPolarHBondContact CA-O 3.46Å
189	I	92.2	Very high	91.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.5	179.8	-51.1	-178.1	0	0	0	107.9	I187 D191 T192 I194 I402 I406 L431 V435	I187-I189 HydrophobicContact CD1-CD1 4.25Å; I187-I189 HydrophobicContact CD1-CG1 4.41Å; I187-I189 HydrophobicContact CG1-CD1 4.37Å; I187-I189 HydrophobicContact CG1-CG1 4.05Å; I187-I189 HydrophobicContact CG2-CD1 4.47Å; I189-D191 PolarHBondContact O-N 3.39Å; I189-T192 PolarHBondContact N-O 3.3Å; I189-T192 WeakPolarHBondContact O-CB 3.31Å; I189-T192 PolarHBondContact O-N 3.28Å; I189-I194 HydrophobicContact CD1-CD1 4.44Å; I189-I402 HydrophobicContact CD1-CD1 3.59Å; I189-I402 HydrophobicContact CG2-CB 3.72Å; I189-I402 HydrophobicContact CG2-CG2 3.49Å; I189-I402 VanDerWaalsContact CG2-CG2 3.49Å; I189-I406 HydrophobicContact CG2-CD1 4.35Å; I189-L431 HydrophobicContact CD1-CB 4.36Å; I189-L431 HydrophobicContact CD1-CD1 4.18Å; I189-V435 HydrophobicContact CB-CG2 4.04Å; I189-V435 HydrophobicContact CD1-CG2 4.47Å; I189-V435 HydrophobicContact CG2-CG2 4.1Å
190	G	87.2	Confident	90.8	Very high	33 Å²	33	46.8 Å²	46.8	34%	0.34	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-125	-162.9	0	0	0	0	0	111.2	K188 N403	K188-G190 WeakPolarHBondContact CE-O 3.5Å; G190-N403 PolarHBondContact N-OD1 2.91Å
191	D	88.6	Confident	90.1	Very high	145 Å²	145	50.1 Å²	50.1	78%	0.775	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	8.8	176.8	-62.7	-34.9	0	0	0	113.7	I189	I189-D191 PolarHBondContact O-N 3.39Å
192	T	90.9	Very high	89.6	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.5	-178.5	-59.3	0	0	0	0	110.7	K188 I189 I194 V435 K438	K188-T192 WeakPolarHBondContact CA-O 3.46Å; I189-T192 PolarHBondContact N-O 3.3Å; I189-T192 WeakPolarHBondContact O-CB 3.31Å; I189-T192 PolarHBondContact O-N 3.28Å; T192-I194 HydrophobicContact CG2-CD1 4.22Å; T192-I194 HydrophobicContact CG2-CG1 3.75Å; T192-V435 HydrophobicContact CG2-CG2 4.43Å; T192-K438 WeakPolarHBondContact OG1-CD 3.1Å; T192-K438 WeakPolarHBondContact OG1-CE 3.4Å; T192-K438 PolarHBondContact OG1-NZ 3.04Å
193	A	93	Very high	89.3	Confident	71 Å²	71	56.1 Å²	56.1	59%	0.587	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.5	164.2	0	0	0	0	0	109.2	I187	I187-A193 WeakPolarHBondContact O-CA 3.34Å
194	I	92.1	Very high	89.2	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.7	179.6	-54.4	170.7	0	0	0	107.4	Q186 I187 I189 T192 F430 L431 K434 V435	Q186-I194 CarbonylContact C-O 3.56Å; Q186-I194 VanDerWaalsContact CA-O 3.29Å; Q186-I194 WeakPolarHBondContact CA-O 3.28Å; I187-I194 HydrophobicContact CG2-CB 3.92Å; I187-I194 PolarHBondContact N-O 3.03Å; I187-I194 PolarHBondContact O-N 3.21Å; I189-I194 HydrophobicContact CD1-CD1 4.44Å; T192-I194 HydrophobicContact CG2-CD1 4.22Å; T192-I194 HydrophobicContact CG2-CG1 3.75Å; I194-F430 HydrophobicContact CG2-CE1 3.61Å; I194-F430 HydrophobicContact CG2-CZ 4.03Å; I194-L431 HydrophobicContact CB-CD2 4.35Å; I194-L431 HydrophobicContact CD1-CB 4.45Å; I194-L431 HydrophobicContact CD1-CD2 3.83Å; I194-L431 HydrophobicContact CG2-CD2 3.97Å; I194-K434 HydrophobicContact CD1-CB 3.65Å; I194-K434 HydrophobicContact CD1-CG 4.42Å; I194-K434 HydrophobicContact CG1-CB 4.03Å; I194-K434 HydrophobicContact CG2-CG 4.34Å; I194-V435 HydrophobicContact CD1-CG2 3.92Å
195	D	91.6	Very high	89	Confident	44 Å²	44	54.1 Å²	54.1	24%	0.235	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.9	170.9	-163.3	-24.8	0	0	0	109.6	Q186 K197 E198	Q186-D195 HydrophobicContact CG-CB 4.24Å; D195-K197 PolarHBondContact O-N 3.46Å; D195-K197 VanDerWaalsContact O-N 3.16Å; D195-K197 WeakPolarHBondContact OD1-CB 3.11Å; D195-K197 PolarHBondContact OD1-N 2.92Å; D195-E198 HydrophobicContact CB-CG 4.42Å; D195-E198 WeakPolarHBondContact O-CB 3.14Å; D195-E198 PolarHBondContact O-N 2.65Å
196	I	90.6	Very high	88.8	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-62.9	-20.6	176.9	-61.1	-60.5	0	0	0	111.4	F185 I187 E198 F199 Q200 Y427 L431	F185-I196 HydrophobicContact CD1-CG1 4.29Å; F185-I196 HydrophobicContact CD2-CG1 3.94Å; F185-I196 HydrophobicContact CE1-CB 4.4Å; F185-I196 HydrophobicContact CE1-CG1 3.95Å; F185-I196 HydrophobicContact CE1-CG2 4.43Å; F185-I196 HydrophobicContact CE2-CD1 4.35Å; F185-I196 HydrophobicContact CE2-CG1 3.56Å; F185-I196 HydrophobicContact CG-CG1 4.28Å; F185-I196 HydrophobicContact CZ-CB 4.49Å; F185-I196 HydrophobicContact CZ-CD1 4.33Å; F185-I196 HydrophobicContact CZ-CG1 3.58Å; F185-I196 WeakPolarHBondContact O-CB 3.2Å; F185-I196 WeakPolarHBondContact O-CG1 3.25Å; F185-I196 PolarHBondContact O-N 2.77Å; I187-I196 HydrophobicContact CG2-CD1 4.18Å; I196-E198 PolarHBondContact O-N 3.18Å; I196-F199 WeakPolarHBondContact O-CB 3.44Å; I196-F199 PolarHBondContact O-N 2.88Å; I196-Q200 PolarHBondContact O-N 3.41Å; I196-Y427 HydrophobicContact CD1-CD2 4.21Å; I196-Y427 HydrophobicContact CD1-CE2 3.9Å; I196-L431 HydrophobicContact CD1-CD2 3.76Å
197	K	88.5	Confident	88.8	Confident	103 Å²	103	48.9 Å²	48.9	45%	0.448	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32	171.3	-164.9	-175.3	-177.9	-174.4	0	112.5	P184 D195 F199 Q200 E205	P184-K197 HydrophobicContact CB-CB 4.33Å; D195-K197 PolarHBondContact O-N 3.46Å; D195-K197 VanDerWaalsContact O-N 3.16Å; D195-K197 WeakPolarHBondContact OD1-CB 3.11Å; D195-K197 PolarHBondContact OD1-N 2.92Å; K197-F199 PolarHBondContact O-N 3.11Å; K197-Q200 CarbonylContact O-C 3.48Å; K197-Q200 WeakPolarHBondContact O-CA 3.49Å; K197-Q200 PolarHBondContact O-N 3Å; K197-E205 WeakPolarHBondContact CE-OE1 3.5Å; K197-E205 WeakPolarHBondContact CG-OE1 3.48Å
198	E	86.5	Confident	88.7	Confident	98 Å²	98	49 Å²	49	46%	0.458	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.1	-27.3	176.4	-66.1	175.7	-146.7	0	0	113.1	D195 I196 F430 K434	D195-E198 HydrophobicContact CB-CG 4.42Å; D195-E198 WeakPolarHBondContact O-CB 3.14Å; D195-E198 PolarHBondContact O-N 2.65Å; I196-E198 PolarHBondContact O-N 3.18Å; E198-F430 HydrophobicContact CB-CE2 4.35Å; E198-F430 HydrophobicContact CB-CZ 3.8Å; E198-K434 WeakPolarHBondContact OE2-CE 3.41Å; E198-K434 IonicContact OE2-NZ 3.44Å; E198-K434 PolarHBondContact OE2-NZ 3.25Å
199	F	88.2	Confident	88.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-31.4	171.9	-177.8	-91.5	0	0	0	111.5	L182 I196 K197 H201 W381 F430 L458 I461 Y462	L182-F199 HydrophobicContact CD1-CD1 3.97Å; L182-F199 HydrophobicContact CD1-CE1 3.95Å; I196-F199 WeakPolarHBondContact O-CB 3.44Å; I196-F199 PolarHBondContact O-N 2.88Å; K197-F199 PolarHBondContact O-N 3.11Å; F199-H201 PolarHBondContact O-N 2.82Å; F199-H201 VanDerWaalsContact O-N 3.09Å; F199-W381 AromaticContact CE1-CH2 3.93Å; F199-W381 HydrophobicContact CE1-CH2 3.93Å; F199-W381 HydrophobicContact CE1-CZ3 4.28Å; F199-W381 AromaticContact CZ-CH2 3.68Å; F199-W381 HydrophobicContact CZ-CH2 3.68Å; F199-W381 HydrophobicContact CZ-CZ2 4.31Å; F199-W381 HydrophobicContact CZ-CZ3 4.47Å; F199-F430 HydrophobicContact CB-CD1 4.09Å; F199-F430 HydrophobicContact CB-CE1 4.1Å; F199-F430 HydrophobicContact CB-CG 4.38Å; F199-F430 HydrophobicContact CB-CZ 4.39Å; F199-F430 HydrophobicContact CD2-CB 3.86Å; F199-F430 HydrophobicContact CD2-CD1 4.23Å; F199-F430 HydrophobicContact CD2-CD2 4.32Å; F199-F430 AromaticContact CD2-CG 3.88Å; F199-F430 HydrophobicContact CD2-CG 3.88Å; F199-F430 HydrophobicContact CE2-CB 4.34Å; F199-L458 HydrophobicContact CE2-CD2 4.08Å; F199-L458 HydrophobicContact CZ-CD2 3.9Å; F199-I461 HydrophobicContact CD2-CG2 3.81Å; F199-I461 HydrophobicContact CE1-CD1 4.17Å; F199-I461 HydrophobicContact CE2-CD1 4.22Å; F199-I461 HydrophobicContact CE2-CG2 3.91Å; F199-I461 HydrophobicContact CG-CG2 4.44Å; F199-I461 HydrophobicContact CZ-CD1 3.89Å; F199-Y462 HydrophobicContact CE2-CE1 4.45Å
200	Q	83	Confident	88.5	Confident	13 Å²	13	44.8 Å²	44.8	6%	0.061	26%	0.256	C	S	.	.	S	Bend	trans	-81.2	86.5	179.5	-60.8	174.2	30.2	0	0	109.5	L182 F183 I196 K197 E205	L182-Q200 VanDerWaalsContact C-NE2 3.29Å; L182-Q200 HydrophobicContact CB-CG 4.06Å; L182-Q200 HydrophobicContact CD1-CG 4.39Å; L182-Q200 PolarHBondContact O-NE2 3.12Å; L182-Q200 PolarHBondContact O-OE1 3.33Å; F183-Q200 VanDerWaalsContact C-NE2 3.29Å; F183-Q200 PolarHBondContact O-NE2 3.33Å; I196-Q200 PolarHBondContact O-N 3.41Å; K197-Q200 CarbonylContact O-C 3.48Å; K197-Q200 WeakPolarHBondContact O-CA 3.49Å; K197-Q200 PolarHBondContact O-N 3Å; Q200-E205 HydrophobicContact CB-CG 4.28Å
201	H	79.7	Confident	88.4	Confident	72 Å²	72	45.2 Å²	45.2	33%	0.333	25%	0.253	S	S	.	.			trans	-52.3	151	172	-167.3	-105	0	0	0	111.3	F199 E203 I204 E205	F199-H201 PolarHBondContact O-N 2.82Å; F199-H201 VanDerWaalsContact O-N 3.09Å; H201-E203 IonicContact CE1-OE1 3.48Å; H201-E203 IonicContact CE1-OE2 3.21Å; H201-E203 IonicContact ND1-OE2 3.72Å; H201-E203 PolarHBondContact O-N 3.24Å; H201-I204 HydrophobicContact CB-CD1 4.4Å; H201-I204 WeakPolarHBondContact O-CB 3.32Å; H201-I204 PolarHBondContact O-N 2.61Å; H201-E205 PolarHBondContact O-N 3Å
202	A	83.8	Confident	88.4	Confident	64 Å²	64	41.2 Å²	41.2	53%	0.529	24%	0.236	S	C	.	.	H	α-helix	trans	-55.9	-28.3	-175.2	0	0	0	0	0	113.8	E205 S206	A202-E205 PolarHBondContact O-N 2.8Å; A202-S206 PolarHBondContact O-N 3.44Å; A202-S206 PolarHBondContact O-OG 2.79Å
203	E	85.8	Confident	88.5	Confident	77 Å²	77	41.9 Å²	41.9	36%	0.36	24%	0.24	S	C	.	.	H	α-helix	trans	-64.6	-38.9	173.8	-67.8	167.9	-178.6	0	0	112.4	H201 C207 C375 R460	H201-E203 IonicContact CE1-OE1 3.48Å; H201-E203 IonicContact CE1-OE2 3.21Å; H201-E203 IonicContact ND1-OE2 3.72Å; H201-E203 PolarHBondContact O-N 3.24Å; E203-C207 VanDerWaalsContact O-CB 3.26Å; E203-C207 WeakPolarHBondContact O-CB 3.48Å; E203-C207 PolarHBondContact O-N 3.01Å; E203-C207 VanDerWaalsContact O-N 3.15Å; E203-C375 HydrophobicContact CB-CB 4.27Å; E203-C375 WeakPolarHBondContact O-CB 3.48Å; E203-R460 IonicContact OE2-NH1 2.65Å; E203-R460 PolarHBondContact OE2-NH1 2.83Å
204	I	89.4	Confident	88.7	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-41	178.3	-62.2	168.8	0	0	0	110	H201 S206 C375 L377 I461	H201-I204 HydrophobicContact CB-CD1 4.4Å; H201-I204 WeakPolarHBondContact O-CB 3.32Å; H201-I204 PolarHBondContact O-N 2.61Å; I204-S206 VanDerWaalsContact C-N 3.32Å; I204-S206 PolarHBondContact O-N 3.36Å; I204-C375 HydrophobicContact CB-CB 4.29Å; I204-C375 HydrophobicContact CG1-CB 3.79Å; I204-L377 HydrophobicContact CD1-CB 4.47Å; I204-L377 HydrophobicContact CD1-CD1 3.98Å; I204-L377 HydrophobicContact CG1-CB 4.36Å; I204-L377 HydrophobicContact CG2-CD1 4.21Å; I204-I461 HydrophobicContact CD1-CD1 4.21Å
205	E	86.3	Confident	88.8	Confident	74 Å²	74	43.1 Å²	43.1	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-38.6	179.6	-62.7	-169.8	152.3	0	0	112.4	K197 Q200 H201 A202	K197-E205 WeakPolarHBondContact CE-OE1 3.5Å; K197-E205 WeakPolarHBondContact CG-OE1 3.48Å; Q200-E205 HydrophobicContact CB-CG 4.28Å; H201-E205 PolarHBondContact O-N 3Å; A202-E205 PolarHBondContact O-N 2.8Å
206	S	87.9	Confident	89	Confident	62 Å²	62	41.1 Å²	41.1	43%	0.434	23%	0.225	S	C	.	.	H	α-helix	trans	-96.1	-1.6	-174.3	60.1	0	0	0	0	115.2	A202 I204 K321	A202-S206 PolarHBondContact O-N 3.44Å; A202-S206 PolarHBondContact O-OG 2.79Å; I204-S206 VanDerWaalsContact C-N 3.32Å; I204-S206 PolarHBondContact O-N 3.36Å; S206-K321 WeakPolarHBondContact O-CE 3.24Å
207	C	92.2	Very high	89.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.			trans	-71.1	135.7	-174.6	-179.1	0	0	0	0	113.3	R181 E203 G209 C373 S374 C375 H378	R181-C207 PolarHBondContact NH1-O 3.49Å; R181-C207 VanDerWaalsContact NH1-O 3.16Å; R181-C207 PolarHBondContact NH2-O 3.16Å; E203-C207 VanDerWaalsContact O-CB 3.26Å; E203-C207 WeakPolarHBondContact O-CB 3.48Å; E203-C207 PolarHBondContact O-N 3.01Å; E203-C207 VanDerWaalsContact O-N 3.15Å; C207-G209 PolarHBondContact O-N 3.39Å; C207-G209 VanDerWaalsContact O-N 3.13Å; C207-G209 PolarHBondContact SG-N 3.06Å; C207-C373 VanDerWaalsContact SG-CA 3.56Å; C207-C373 VanDerWaalsContact SG-SG 3.6Å; C207-S374 PolarHBondContact SG-N 2.98Å; C207-C375 HydrophobicContact CB-CB 3.86Å; C207-C375 PolarHBondContact SG-SG 3.19Å; C207-H378 PolarHBondContact SG-ND1 2.89Å
208	S	91	Very high	89.6	Confident	14 Å²	14	36.2 Å²	36.2	10%	0.098	20%	0.204	C	C	.	.			trans	-68.2	-12.8	175.8	-51.2	0	0	0	0	114.2	H180	H180-S208 PolarHBondContact CE1-O 3.19Å
209	G	92.7	Very high	90	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.			trans	77.8	-170.7	-175.4	0	0	0	0	0	114.4	C207 S372 C373 H378	C207-G209 PolarHBondContact O-N 3.39Å; C207-G209 VanDerWaalsContact O-N 3.13Å; C207-G209 PolarHBondContact SG-N 3.06Å; G209-S372 CarbonylContact O-C 3.47Å; G209-C373 VanDerWaalsContact O-CA 3.28Å; G209-C373 WeakPolarHBondContact O-CA 3.36Å; G209-C373 WeakPolarHBondContact O-CB 3.26Å; G209-C373 PolarHBondContact O-N 2.77Å; G209-H378 WeakPolarHBondContact CA-ND1 3.08Å
210	L	89.6	Confident	90.3	Very high	55 Å²	55	35.2 Å²	35.2	29%	0.288	20%	0.202	S	C	.	.			trans	-67.8	140.3	-179.7	-81.7	178.1	0	0	0	111.4	S212 H378 R379	L210-S212 PolarHBondContact O-N 2.85Å; L210-H378 WeakPolarHBondContact CD1-O 3.35Å; L210-H378 HydrophobicContact CG-CB 4Å; L210-H378 WeakPolarHBondContact CG-O 3.4Å; L210-R379 HydrophobicContact CD2-CG 4.09Å
211	P	85.4	Confident	90.8	Very high	43 Å²	43	34.8 Å²	34.8	28%	0.279	20%	0.2	S	C	.	.	S	Bend	trans	-71.6	-18.1	174.4	29.3	-34.6	0	0	0	113.3	R344	P211-R344 PolarHBondContact O-NH1 3.06Å
212	S	89.1	Confident	91.3	Very high	60 Å²	60	34.4 Å²	34.4	42%	0.42	20%	0.198	S	C	.	.	S	Bend	trans	-67.9	141.9	178.9	61.5	0	0	0	0	111.1	L210 R383	L210-S212 PolarHBondContact O-N 2.85Å; S212-R383 PolarHBondContact O-NH2 3.15Å
213	T	92.8	Very high	91.6	Very high	19 Å²	19	34 Å²	34	12%	0.117	19%	0.187	C	C	.	.			trans	-54.7	150.9	170.9	-173.5	0	0	0	0	111	E135 D215 A316	E135-T213 HydrophobicContact CG-CG2 3.74Å; E135-T213 VanDerWaalsContact OE2-CG2 3.31Å; E135-T213 WeakPolarHBondContact OE2-CG2 3.37Å; T213-D215 HydrophobicContact CG2-CB 4.24Å; T213-A316 WeakPolarHBondContact OG1-CB 3.38Å
214	F	95.8	Very high	91.5	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.096	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	88.3	162.2	179.8	-142.6	0	0	0	107.7	L176 H179 I216 V317 F319	L176-F214 HydrophobicContact CD2-CE1 4.26Å; H179-F214 HydrophobicContact CB-CD1 4.38Å; H179-F214 HydrophobicContact CB-CE1 3.73Å; H179-F214 HydrophobicContact CB-CZ 4.1Å; H179-F214 AromaticContact CD2-CZ 3.58Å; H179-F214 AromaticContact CG-CE1 3.72Å; H179-F214 AromaticContact CG-CZ 3.76Å; F214-I216 HydrophobicContact CD1-CD1 4.27Å; F214-I216 HydrophobicContact CD2-CG2 3.86Å; F214-I216 HydrophobicContact CE1-CD1 3.84Å; F214-I216 HydrophobicContact CE1-CG1 4.5Å; F214-I216 HydrophobicContact CE1-CG2 4.16Å; F214-I216 HydrophobicContact CE2-CG2 3.34Å; F214-I216 HydrophobicContact CG-CG2 4.47Å; F214-I216 HydrophobicContact CZ-CD1 4.17Å; F214-I216 HydrophobicContact CZ-CG2 3.52Å; F214-V317 HydrophobicContact CB-CB 4.12Å; F214-V317 HydrophobicContact CD1-CB 4.12Å; F214-V317 HydrophobicContact CD1-CG1 4.36Å; F214-V317 PolarHBondContact N-O 3.25Å; F214-V317 VanDerWaalsContact O-CB 3.29Å; F214-V317 WeakPolarHBondContact O-CB 3.41Å; F214-V317 PolarHBondContact O-N 3.09Å; F214-F319 HydrophobicContact CB-CE2 4.06Å; F214-F319 HydrophobicContact CD1-CE2 4.13Å; F214-F319 AromaticContact CD1-CZ 3.88Å; F214-F319 HydrophobicContact CD1-CZ 3.88Å
215	D	95.3	Very high	90.5	Very high	80 Å²	80	39.1 Å²	39.1	43%	0.428	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.1	178.4	53.7	-44.1	0	0	0	110.5	T134 T213 Q315	T134-D215 HydrophobicContact CG2-CB 3.71Å; T213-D215 HydrophobicContact CG2-CB 4.24Å; D215-Q315 WeakPolarHBondContact CA-O 3.44Å
216	I	96	Very high	89	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	160.6	-178.6	52.1	166.3	0	0	0	110.7	L176 F214 V218 I221 Q315 V317 W597 E598	L176-I216 HydrophobicContact CD2-CD1 3.61Å; F214-I216 HydrophobicContact CD1-CD1 4.27Å; F214-I216 HydrophobicContact CD2-CG2 3.86Å; F214-I216 HydrophobicContact CE1-CD1 3.84Å; F214-I216 HydrophobicContact CE1-CG1 4.5Å; F214-I216 HydrophobicContact CE1-CG2 4.16Å; F214-I216 HydrophobicContact CE2-CG2 3.34Å; F214-I216 HydrophobicContact CG-CG2 4.47Å; F214-I216 HydrophobicContact CZ-CD1 4.17Å; F214-I216 HydrophobicContact CZ-CG2 3.52Å; I216-V218 HydrophobicContact CD1-CG2 4.04Å; I216-V218 HydrophobicContact CG1-CG2 3.8Å; I216-V218 PolarHBondContact O-N 2.84Å; I216-I221 HydrophobicContact CD1-CD1 3.92Å; I216-Q315 PolarHBondContact N-O 2.87Å; I216-Q315 VanDerWaalsContact N-O 3.14Å; I216-Q315 PolarHBondContact O-N 3.46Å; I216-V317 HydrophobicContact CD1-CG2 4.01Å; I216-V317 HydrophobicContact CG1-CG2 3.95Å; I216-W597 HydrophobicContact CB-CH2 4.34Å; I216-W597 HydrophobicContact CD1-CH2 4.19Å; I216-W597 HydrophobicContact CG2-CH2 4.43Å; I216-W597 HydrophobicContact CG2-CZ2 4.41Å; I216-E598 VanDerWaalsContact CA-OE2 3.27Å; I216-E598 WeakPolarHBondContact CA-OE2 3.28Å; I216-E598 WeakPolarHBondContact CB-OE2 3.47Å
217	Q	95.8	Very high	87.2	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	26%	0.26	C	S	.	.			trans	-72.2	76.7	169.3	-61.4	-66.9	-14.1	0	0	110.8	S219 E220 W309 R310 M314 E598	Q217-S219 PolarHBondContact O-N 3.07Å; Q217-E220 HydrophobicContact CB-CB 4.48Å; Q217-E220 HydrophobicContact CB-CG 3.9Å; Q217-E220 WeakPolarHBondContact O-CB 3.32Å; Q217-E220 PolarHBondContact O-N 3.31Å; Q217-W309 HydrophobicContact CG-CZ2 4.16Å; Q217-W309 VanDerWaalsContact NE2-CZ2 3.34Å; Q217-R310 PolarHBondContact NE2-O 2.92Å; Q217-M314 HydrophobicContact CG-SD 4.11Å; Q217-E598 HydrophobicContact CB-CB 3.96Å; Q217-E598 HydrophobicContact CB-CG 4.41Å; Q217-E598 HydrophobicContact CG-CB 3.92Å; Q217-E598 WeakPolarHBondContact CG-O 3.4Å; Q217-E598 PolarHBondContact N-OE2 3.48Å
218	V	96.5	Very high	85.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-58	-23.4	177	176.7	0	0	0	0	111.9	I216 E220 I221 L235 V279 P299 Q315 V317	I216-V218 HydrophobicContact CD1-CG2 4.04Å; I216-V218 HydrophobicContact CG1-CG2 3.8Å; I216-V218 PolarHBondContact O-N 2.84Å; V218-E220 PolarHBondContact O-N 2.9Å; V218-I221 HydrophobicContact CG1-CD1 4.38Å; V218-I221 WeakPolarHBondContact O-CB 3.06Å; V218-I221 PolarHBondContact O-N 3.08Å; V218-L235 HydrophobicContact CG1-CD2 3.77Å; V218-V279 HydrophobicContact CB-CG1 4.29Å; V218-V279 HydrophobicContact CG1-CG1 3.87Å; V218-V279 HydrophobicContact CG1-CG2 4.02Å; V218-V279 HydrophobicContact CG2-CG1 4.14Å; V218-V279 HydrophobicContact CG2-CG2 4.47Å; V218-P299 HydrophobicContact CG1-CB 4.39Å; V218-Q315 HydrophobicContact CB-CB 3.91Å; V218-Q315 HydrophobicContact CB-CG 4.23Å; V218-Q315 HydrophobicContact CG2-CB 3.71Å; V218-Q315 VanDerWaalsContact N-OE1 3.11Å; V218-V317 HydrophobicContact CG2-CG2 3.71Å
219	S	94.5	Very high	83.2	Confident	24 Å²	24	57.9 Å²	57.9	17%	0.168	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-57.7	-21.6	170.4	-62.1	0	0	0	0	114.4	Q217 P299 S300 Q315	Q217-S219 PolarHBondContact O-N 3.07Å; S219-P299 WeakPolarHBondContact OG-CA 3.43Å; S219-S300 PolarHBondContact O-OG 3.17Å; S219-S300 PolarHBondContact OG-N 3.14Å; S219-Q315 PolarHBondContact OG-OE1 3.41Å
220	E	93.5	Very high	81.5	Confident	53 Å²	53	63.6 Å²	63.6	25%	0.248	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-94.7	5.1	176.8	-55.5	-55.6	138.5	0	0	113.3	Q217 V218 R233 W597 E598 P600	Q217-E220 HydrophobicContact CB-CB 4.48Å; Q217-E220 HydrophobicContact CB-CG 3.9Å; Q217-E220 WeakPolarHBondContact O-CB 3.32Å; Q217-E220 PolarHBondContact O-N 3.31Å; V218-E220 PolarHBondContact O-N 2.9Å; E220-R233 PolarHBondContact O-NE 2.69Å; E220-W597 HydrophobicContact CB-CZ3 4.49Å; E220-E598 WeakPolarHBondContact CG-O 3.49Å; E220-P600 VanDerWaalsContact OE1-CG 3.25Å; E220-P600 WeakPolarHBondContact OE1-CG 3Å
221	I	94.2	Very high	80.5	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	36%	0.357	C	S	.	.	S	Bend	trans	-95.8	127	168.3	-54.8	175.5	0	0	0	108.2	F175 L176 I216 V218 R233 L235 W597	F175-I221 HydrophobicContact CD1-CD1 3.87Å; F175-I221 HydrophobicContact CD1-CG1 4.28Å; F175-I221 HydrophobicContact CE1-CD1 3.85Å; F175-I221 HydrophobicContact CE1-CG1 4.15Å; L176-I221 HydrophobicContact CD1-CD1 4.49Å; L176-I221 HydrophobicContact CD2-CD1 3.63Å; L176-I221 HydrophobicContact CG-CD1 4.17Å; I216-I221 HydrophobicContact CD1-CD1 3.92Å; V218-I221 HydrophobicContact CG1-CD1 4.38Å; V218-I221 WeakPolarHBondContact O-CB 3.06Å; V218-I221 PolarHBondContact O-N 3.08Å; I221-R233 HydrophobicContact CG2-CB 4.3Å; I221-L235 HydrophobicContact CB-CD2 3.89Å; I221-L235 HydrophobicContact CG2-CB 3.98Å; I221-L235 HydrophobicContact CG2-CD2 3.68Å; I221-L235 HydrophobicContact CG2-CG 3.95Å; I221-W597 HydrophobicContact CG1-CZ3 4.27Å
222	Q	90.2	Very high	80.2	Confident	63 Å²	63	63.2 Å²	63.2	29%	0.294	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.3	-175.7	-166.1	179.9	-22.3	0	0	110.8	E224 C231 R233 Q234 L235	Q222-E224 PolarHBondContact O-N 3.47Å; Q222-C231 PolarHBondContact OE1-SG 2.83Å; Q222-R233 WeakPolarHBondContact CB-O 3.37Å; Q222-R233 PolarHBondContact N-O 3.04Å; Q222-Q234 CarbonylContact O-C 3.54Å; Q222-Q234 VanDerWaalsContact O-CA 3.31Å; Q222-Q234 WeakPolarHBondContact O-CA 3.24Å; Q222-L235 PolarHBondContact O-N 2.68Å
223	L	90.2	Very high	80.3	Confident	55 Å²	55	61.9 Å²	61.9	29%	0.288	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	132	163.3	-76.1	-173.2	0	0	0	109.8	D225 L235 W301	L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.39Å; L223-L235 CarbonylContact C-O 3.29Å; L223-L235 WeakPolarHBondContact CA-O 3.16Å; L223-L235 HydrophobicContact CD2-CD1 3.41Å; L223-L235 VanDerWaalsContact CD2-CD1 3.41Å; L223-L235 HydrophobicContact CD2-CG 4.24Å; L223-W301 HydrophobicContact CD1-CB 3.53Å; L223-W301 HydrophobicContact CD1-CG 4.19Å; L223-W301 HydrophobicContact CD2-CB 4.18Å; L223-W301 HydrophobicContact CD2-CD2 4.14Å; L223-W301 HydrophobicContact CD2-CG 3.95Å; L223-W301 HydrophobicContact CG-CB 3.66Å; L223-W301 HydrophobicContact CG-CG 3.95Å
224	E	83.9	Confident	80.3	Confident	90 Å²	90	63.5 Å²	63.5	42%	0.421	35%	0.349	S	S	.	.			trans	-64.5	94.6	172.2	-170.3	-174.2	-178.7	0	0	109.7	Q222 L235 R236	Q222-E224 PolarHBondContact O-N 3.47Å; E224-L235 PolarHBondContact N-O 3.41Å; E224-R236 HydrophobicContact CB-CB 4.22Å; E224-R236 IonicContact OE2-NE 2.61Å; E224-R236 IonicContact OE2-NH1 2.81Å
225	D	67.3	Low	80.3	Confident	100 Å²	100	62.5 Å²	62.5	54%	0.535	35%	0.345	S	S	.	.			trans	-94.6	133.9	163.8	-78.6	-31.4	0	0	0	108.5	L223 Q227 L228	L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.39Å; D225-Q227 PolarHBondContact O-N 2.9Å; D225-L228 PolarHBondContact O-N 3.05Å
226	S	54.2	Low	80.2	Confident	128 Å²	128	61.7 Å²	61.7	90%	0.895	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-0.4	-177	-46.6	0	0	0	0	115.4
227	Q	51.4	Low	80.3	Confident	180 Å²	180	62.9 Å²	62.9	84%	0.841	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-8.5	-176.4	-61.6	-165.8	-1.5	0	0	115.2	D225	D225-Q227 PolarHBondContact O-N 2.9Å
228	L	51.9	Low	80.3	Confident	95 Å²	95	62.8 Å²	62.8	50%	0.497	34%	0.344	S	S	.	.			trans	-123.5	103	-175.4	-76.2	157.2	0	0	0	111.4	D225 Q234	D225-L228 PolarHBondContact O-N 3.05Å; L228-Q234 PolarHBondContact O-NE2 2.82Å
229	V	46.2	Very low	80.4	Confident	141 Å²	141	63.2 Å²	63.2	86%	0.855	35%	0.346	S	S	*	.			trans	-98.1	10.8	-167.2	-176	0	0	0	0	113.9
230	S	58.6	Low	80.4	Confident	119 Å²	119	70 Å²	70	83%	0.832	37%	0.372	S	S	*	.			trans	-125.4	17.7	-164.2	82.8	0	0	0	0	118.2
231	C	67.6	Low	80.6	Confident	35 Å²	35	71.2 Å²	71.2	24%	0.236	39%	0.387	C	S	.	.			trans	-114.2	142.9	173.5	74.7	0	0	0	0	111.8	Q222 R233 Q234	Q222-C231 PolarHBondContact OE1-SG 2.83Å; C231-R233 VanDerWaalsContact C-N 3.3Å; C231-R233 PolarHBondContact SG-O 2.82Å; C231-Q234 WeakPolarHBondContact SG-CG 3.5Å
232	D	80.1	Confident	80.7	Confident	55 Å²	55	72.7 Å²	72.7	29%	0.294	40%	0.396	S	S	.	.	S	Bend	trans	-81.2	-12.3	178.3	67.9	-41.9	0	0	0	113	S692	D232-S692 PolarHBondContact OD1-OG 2.83Å; D232-S692 PolarHBondContact OD2-OG 3.28Å
233	R	90.5	Very high	81.1	Confident	33 Å²	33	73.6 Å²	73.6	13%	0.125	40%	0.397	C	S	.	.			trans	-107	88.7	179.1	-62.2	-170.9	-65.8	-82.2	10.2	110.9	F175 E220 I221 Q222 C231 W690 S692	F175-R233 HydrophobicContact CD1-CG 4.35Å; F175-R233 HydrophobicContact CD2-CG 3.85Å; F175-R233 HydrophobicContact CE1-CG 4.25Å; F175-R233 HydrophobicContact CE2-CG 3.72Å; F175-R233 HydrophobicContact CG-CB 4.4Å; F175-R233 HydrophobicContact CG-CG 4.15Å; F175-R233 HydrophobicContact CZ-CG 3.94Å; E220-R233 PolarHBondContact O-NE 2.69Å; I221-R233 HydrophobicContact CG2-CB 4.3Å; Q222-R233 WeakPolarHBondContact CB-O 3.37Å; Q222-R233 PolarHBondContact N-O 3.04Å; C231-R233 VanDerWaalsContact C-N 3.3Å; C231-R233 PolarHBondContact SG-O 2.82Å; R233-W690 PolarHBondContact NH1-O 3.49Å; R233-S692 VanDerWaalsContact CD-CB 3.5Å; R233-S692 VanDerWaalsContact CD-OG 3.3Å; R233-S692 WeakPolarHBondContact CD-OG 3.12Å; R233-S692 WeakPolarHBondContact CG-OG 3.35Å; R233-S692 PolarHBondContact NH1-OG 3.39Å
234	Q	92.6	Very high	81.5	Confident	52 Å²	52	73 Å²	73	24%	0.243	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.2	176.9	-65.9	-177.1	-30.8	0	0	111.4	S173 Q222 L228 C231	S173-Q234 VanDerWaalsContact CB-O 3.31Å; S173-Q234 WeakPolarHBondContact CB-O 3.05Å; S173-Q234 PolarHBondContact OG-O 3.09Å; Q222-Q234 CarbonylContact O-C 3.54Å; Q222-Q234 VanDerWaalsContact O-CA 3.31Å; Q222-Q234 WeakPolarHBondContact O-CA 3.24Å; L228-Q234 PolarHBondContact O-NE2 2.82Å; C231-Q234 WeakPolarHBondContact SG-CG 3.5Å
235	L	94.9	Very high	82.1	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.6	165.4	73.4	85.8	0	0	0	110.6	V171 E172 V218 I221 Q222 L223 E224	V171-L235 HydrophobicContact CB-CD1 4.44Å; V171-L235 HydrophobicContact CG1-CD1 3.97Å; E172-L235 CarbonylContact O-C 3.58Å; E172-L235 VanDerWaalsContact O-CA 3.25Å; E172-L235 WeakPolarHBondContact O-CA 3.43Å; V218-L235 HydrophobicContact CG1-CD2 3.77Å; I221-L235 HydrophobicContact CB-CD2 3.89Å; I221-L235 HydrophobicContact CG2-CB 3.98Å; I221-L235 HydrophobicContact CG2-CD2 3.68Å; I221-L235 HydrophobicContact CG2-CG 3.95Å; Q222-L235 PolarHBondContact O-N 2.68Å; L223-L235 CarbonylContact C-O 3.29Å; L223-L235 WeakPolarHBondContact CA-O 3.16Å; L223-L235 HydrophobicContact CD2-CD1 3.41Å; L223-L235 VanDerWaalsContact CD2-CD1 3.41Å; L223-L235 HydrophobicContact CD2-CG 4.24Å; E224-L235 PolarHBondContact N-O 3.41Å
236	R	94.7	Very high	83.6	Confident	64 Å²	64	65.9 Å²	65.9	24%	0.242	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.3	171	-178.3	172	65.2	-173.5	2.2	109.6	V171 E172 E224 S272	V171-R236 CarbonylContact C-O 3.56Å; V171-R236 VanDerWaalsContact CA-O 3.26Å; V171-R236 WeakPolarHBondContact CA-O 3.44Å; E172-R236 HydrophobicContact CB-CB 4.38Å; E172-R236 PolarHBondContact N-O 3.28Å; E172-R236 PolarHBondContact O-N 2.97Å; E172-R236 IonicContact OE2-CZ 3.47Å; E172-R236 IonicContact OE2-NE 3.53Å; E172-R236 IonicContact OE2-NH2 3.82Å; E172-R236 PolarHBondContact OE2-NH2 2.89Å; E224-R236 HydrophobicContact CB-CB 4.22Å; E224-R236 IonicContact OE2-NE 2.61Å; E224-R236 IonicContact OE2-NH1 2.81Å; R236-S272 PolarHBondContact NH2-O 3.09Å
237	C	96.7	Very high	85.6	Confident	26 Å²	26	64.8 Å²	64.8	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.5	175.7	-63	0	0	0	0	110.7	Q169	Q169-C237 HydrophobicContact CG-CB 4.06Å
238	L	97.3	Very high	87.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-91.2	-15.1	178	-56.4	-174.7	0	0	0	112.6	V170 E172 F270 A275 L326	V170-L238 HydrophobicContact CB-CB 4.45Å; V170-L238 HydrophobicContact CG1-CB 4.42Å; V170-L238 HydrophobicContact CG1-CD1 4.2Å; V170-L238 PolarHBondContact O-N 3.44Å; E172-L238 HydrophobicContact CB-CD1 4.41Å; E172-L238 HydrophobicContact CB-CD2 4.06Å; E172-L238 HydrophobicContact CB-CG 4.39Å; L238-F270 PolarHBondContact O-N 2.82Å; L238-A275 HydrophobicContact CD1-CB 4.08Å; L238-L326 HydrophobicContact CD1-CD1 4.09Å
239	L	97.5	Very high	89.9	Confident	10 Å²	10	55.9 Å²	55.9	5%	0.052	30%	0.295	C	S	.	.	S	Bend	trans	-102.1	143.4	168.5	-44.5	177.9	0	0	0	110.4	Q169 V170 S241 R243 C267 F332	Q169-L239 PolarHBondContact NE2-O 3.19Å; Q169-L239 VanDerWaalsContact NE2-O 3.1Å; Q169-L239 VanDerWaalsContact OE1-CG 3.26Å; V170-L239 HydrophobicContact CB-CD1 4.46Å; V170-L239 HydrophobicContact CB-CG 4.15Å; V170-L239 HydrophobicContact CG2-CD1 3.95Å; V170-L239 HydrophobicContact CG2-CD2 4.37Å; V170-L239 HydrophobicContact CG2-CG 4.11Å; L239-S241 WeakPolarHBondContact CB-O 3.34Å; L239-S241 PolarHBondContact O-N 3.1Å; L239-R243 HydrophobicContact CD1-CB 4.42Å; L239-C267 HydrophobicContact CD2-CB 3.92Å; L239-F332 HydrophobicContact CD2-CE1 3.98Å; L239-F332 HydrophobicContact CD2-CZ 3.8Å
240	K	95.7	Very high	92.3	Very high	166 Å²	166	49.2 Å²	49.2	72%	0.722	26%	0.255	S	S	*	.	S	Bend	trans	-58.1	-37.6	178.9	-176.1	177.8	178.2	-178.4	0	112.6	F270	K240-F270 HydrophobicContact CB-CB 3.85Å; K240-F270 HydrophobicContact CB-CD1 4.33Å; K240-F270 HydrophobicContact CB-CD2 3.74Å; K240-F270 HydrophobicContact CB-CE2 4.4Å; K240-F270 HydrophobicContact CB-CG 3.69Å; K240-F270 HydrophobicContact CD-CD2 4.22Å; K240-F270 HydrophobicContact CD-CE2 4.31Å; K240-F270 HydrophobicContact CG-CD2 3.98Å; K240-F270 HydrophobicContact CG-CE2 4.15Å; K240-F270 HydrophobicContact CG-CG 4.29Å; K240-F270 VanDerWaalsContact N-CB 3.26Å
241	S	96.3	Very high	93.9	Very high	78 Å²	78	44.6 Å²	44.6	55%	0.545	23%	0.226	S	C	.	.	S	Bend	trans	-144.4	155	177	57.3	0	0	0	0	108.5	L239 R243	L239-S241 WeakPolarHBondContact CB-O 3.34Å; L239-S241 PolarHBondContact O-N 3.1Å; S241-R243 PolarHBondContact O-N 2.7Å
242	P	97.6	Very high	95.2	Very high	35 Å²	35	44.5 Å²	44.5	23%	0.227	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-54.7	138.1	174.9	-24.8	35.2	0	0	0	111.8	L168 W281 V302	L168-P242 CarbonylContact O-C 3.53Å; L168-P242 WeakPolarHBondContact O-CA 3.41Å; P242-W281 HydrophobicContact CB-CH2 3.49Å; P242-W281 VanDerWaalsContact CB-CH2 3.49Å; P242-W281 HydrophobicContact CB-CZ2 3.5Å; P242-W281 HydrophobicContact CG-CH2 3.48Å; P242-W281 VanDerWaalsContact CG-CH2 3.48Å; P242-W281 HydrophobicContact CG-CZ2 3.51Å; P242-V302 HydrophobicContact CG-CG1 4.33Å; P242-V302 HydrophobicContact CG-CG2 4.18Å
243	R	97.6	Very high	95.9	Very high	83 Å²	83	45.4 Å²	45.4	31%	0.313	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.8	168.1	-136.5	-53.5	-97.5	148.1	12.4	106.7	Y167 L168 L239 S241 V245	Y167-R243 CarbonylContact C-O 3.57Å; Y167-R243 VanDerWaalsContact CA-O 3.23Å; Y167-R243 WeakPolarHBondContact CA-O 3.4Å; L168-R243 PolarHBondContact N-O 2.77Å; L168-R243 PolarHBondContact O-N 2.86Å; L239-R243 HydrophobicContact CD1-CB 4.42Å; S241-R243 PolarHBondContact O-N 2.7Å; R243-V245 PolarHBondContact NH2-O 2.9Å
244	S	97.9	Very high	96.2	Very high	43 Å²	43	44.4 Å²	44.4	30%	0.301	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	162.2	152.8	-58	0	0	0	0	108.6	V166	V166-S244 CarbonylContact O-C 3.53Å
245	V	98	Very high	96.3	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-71.3	178.4	169.8	0	0	0	0	107.3	V166 L168 R243 L265 Y336 F345	V166-V245 HydrophobicContact CB-CB 4.12Å; V166-V245 HydrophobicContact CG1-CB 3.93Å; V166-V245 HydrophobicContact CG1-CG1 4.33Å; V166-V245 HydrophobicContact CG1-CG2 4.27Å; V166-V245 PolarHBondContact O-N 3.45Å; L168-V245 HydrophobicContact CB-CG2 3.4Å; L168-V245 VanDerWaalsContact CB-CG2 3.4Å; L168-V245 HydrophobicContact CD1-CG2 4.47Å; R243-V245 PolarHBondContact NH2-O 2.9Å; V245-L265 HydrophobicContact CB-CD1 4.19Å; V245-L265 HydrophobicContact CG1-CD1 4.09Å; V245-L265 HydrophobicContact CG2-CD1 3.87Å; V245-Y336 HydrophobicContact CG1-CD1 4Å; V245-Y336 HydrophobicContact CG1-CD2 3.56Å; V245-Y336 HydrophobicContact CG1-CE1 4.33Å; V245-Y336 HydrophobicContact CG1-CE2 3.9Å; V245-Y336 HydrophobicContact CG1-CG 3.57Å; V245-F345 HydrophobicContact CG1-CE1 3.98Å; V245-F345 HydrophobicContact CG1-CZ 4.48Å; V245-F345 HydrophobicContact CG2-CE1 4.3Å
246	K	97.3	Very high	96.2	Very high	35 Å²	35	54.5 Å²	54.5	15%	0.152	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.8	-175.7	177.6	67.4	-178.2	-177.3	0	109.1	Q165 V166 F248 D261 L263 Y336	Q165-K246 PolarHBondContact NE2-O 2.97Å; V166-K246 PolarHBondContact N-O 3.4Å; K246-F248 HydrophobicContact CB-CE2 4.02Å; K246-F248 HydrophobicContact CB-CZ 4.48Å; K246-F248 HydrophobicContact CG-CD2 3.95Å; K246-F248 HydrophobicContact CG-CE1 4.22Å; K246-F248 HydrophobicContact CG-CE2 3.52Å; K246-F248 HydrophobicContact CG-CG 4.47Å; K246-F248 HydrophobicContact CG-CZ 3.69Å; K246-D261 IonicContact NZ-OD2 3.57Å; K246-D261 PolarHBondContact NZ-OD2 2.93Å; K246-L263 HydrophobicContact CB-CD1 4.28Å; K246-L263 HydrophobicContact CD-CD1 3.72Å; K246-Y336 HydrophobicContact CB-CD1 4.49Å; K246-Y336 HydrophobicContact CB-CE1 3.72Å; K246-Y336 HydrophobicContact CD-CE1 4.35Å; K246-Y336 HydrophobicContact CG-CE1 4.02Å
247	R	97.3	Very high	96.3	Very high	105 Å²	105	51.8 Å²	51.8	40%	0.396	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.4	165.9	-173	176.7	169.9	90.5	-0.5	109	A163 A164 N249	A163-R247 VanDerWaalsContact CB-NH2 3.29Å; A164-R247 CarbonylContact O-C 3.6Å; A164-R247 WeakPolarHBondContact O-CA 3.43Å; R247-N249 PolarHBondContact NE-OD1 2.84Å
248	F	97.7	Very high	96.2	Very high	11 Å²	11	55.4 Å²	55.4	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124	170.9	-66.5	-89.5	0	0	0	108.3	L136 I137 L142 A163 A164 V166 K246 F250 Y336 H338 M343	L136-F248 HydrophobicContact CD2-CD2 3.63Å; L136-F248 HydrophobicContact CD2-CE2 3.91Å; L136-F248 HydrophobicContact CD2-CG 4.4Å; I137-F248 HydrophobicContact CG2-CE1 4.27Å; I137-F248 HydrophobicContact CG2-CZ 4.19Å; L142-F248 HydrophobicContact CD1-CD1 4.47Å; L142-F248 HydrophobicContact CD1-CE1 3.96Å; L142-F248 HydrophobicContact CD2-CD1 3.61Å; L142-F248 HydrophobicContact CD2-CE1 3.92Å; A163-F248 CarbonylContact C-O 3.5Å; A163-F248 WeakPolarHBondContact CA-O 3.19Å; A163-F248 VanDerWaalsContact CB-O 3.22Å; A163-F248 WeakPolarHBondContact CB-O 3.3Å; A164-F248 HydrophobicContact CB-CB 4.35Å; A164-F248 PolarHBondContact N-O 3.21Å; A164-F248 PolarHBondContact O-N 3.31Å; V166-F248 HydrophobicContact CG2-CD2 4.21Å; V166-F248 HydrophobicContact CG2-CE2 3.76Å; K246-F248 HydrophobicContact CB-CE2 4.02Å; K246-F248 HydrophobicContact CB-CZ 4.48Å; K246-F248 HydrophobicContact CG-CD2 3.95Å; K246-F248 HydrophobicContact CG-CE1 4.22Å; K246-F248 HydrophobicContact CG-CE2 3.52Å; K246-F248 HydrophobicContact CG-CG 4.47Å; K246-F248 HydrophobicContact CG-CZ 3.69Å; F248-F250 HydrophobicContact CB-CE1 3.83Å; F248-F250 HydrophobicContact CB-CZ 3.99Å; F248-Y336 WeakPolarHBondContact CZ-OH 3.41Å; F248-H338 AromaticContact CE1-CE1 3.73Å; F248-H338 AromaticContact CE1-NE2 3.92Å; F248-M343 HydrophobicContact CE2-CE 3.87Å; F248-M343 HydrophobicContact CZ-CE 3.93Å
249	N	96.4	Very high	96.1	Very high	76 Å²	76	56.8 Å²	56.8	41%	0.406	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.7	170.6	-57.9	-69.4	0	0	0	106.9	R247	R247-N249 PolarHBondContact NE-OD1 2.84Å
250	F	95.7	Very high	96	Very high	2 Å²	2	60 Å²	60	1%	0.009	32%	0.315	C	S	.	.			trans	-91.5	-12.2	-173.4	-60.1	-52.7	0	0	0	113.3	F132 L142 Y145 L159 C162 A164 F248 I257 L284	F132-F250 HydrophobicContact CE1-CE1 4.36Å; F132-F250 AromaticContact CE1-CE2 3.78Å; F132-F250 HydrophobicContact CE1-CE2 3.78Å; F132-F250 AromaticContact CE1-CZ 3.59Å; F132-F250 HydrophobicContact CE1-CZ 3.59Å; F132-F250 HydrophobicContact CZ-CD2 4.49Å; F132-F250 AromaticContact CZ-CE2 3.85Å; F132-F250 HydrophobicContact CZ-CE2 3.85Å; F132-F250 HydrophobicContact CZ-CZ 4.15Å; L142-F250 HydrophobicContact CD2-CE1 4.18Å; Y145-F250 HydrophobicContact CD1-CB 3.64Å; Y145-F250 HydrophobicContact CD1-CG 4.27Å; Y145-F250 HydrophobicContact CD2-CB 4.25Å; Y145-F250 AromaticContact CD2-CD1 3.74Å; Y145-F250 HydrophobicContact CD2-CD1 3.74Å; Y145-F250 HydrophobicContact CD2-CE1 4.28Å; Y145-F250 HydrophobicContact CD2-CG 4.02Å; Y145-F250 HydrophobicContact CE1-CB 3.86Å; Y145-F250 HydrophobicContact CE1-CG 4.28Å; Y145-F250 HydrophobicContact CE2-CB 4.49Å; Y145-F250 HydrophobicContact CE2-CD1 4.11Å; Y145-F250 HydrophobicContact CE2-CD2 4.4Å; Y145-F250 HydrophobicContact CE2-CE1 4.46Å; Y145-F250 HydrophobicContact CE2-CG 4.09Å; Y145-F250 HydrophobicContact CG-CB 3.85Å; Y145-F250 HydrophobicContact CG-CD1 4.05Å; Y145-F250 HydrophobicContact CG-CG 4.13Å; L159-F250 HydrophobicContact CD2-CB 3.73Å; L159-F250 WeakPolarHBondContact CD2-O 3.35Å; C162-F250 PolarHBondContact O-N 3.22Å; A164-F250 HydrophobicContact CB-CE2 3.85Å; A164-F250 HydrophobicContact CB-CZ 3.78Å; F248-F250 HydrophobicContact CB-CE1 3.83Å; F248-F250 HydrophobicContact CB-CZ 3.99Å; F250-I257 WeakPolarHBondContact O-CD1 3.42Å; F250-L284 HydrophobicContact CE2-CD2 4.48Å
251	G	91.9	Very high	95.9	Very high	22 Å²	22	53 Å²	53	23%	0.227	29%	0.285	C	S	.	.	S	Bend	trans	-74.9	162.2	-175.4	0	0	0	0	0	114.3
252	P	95	Very high	95.8	Very high	32 Å²	32	49.3 Å²	49.3	21%	0.208	26%	0.26	C	S	.	.	S	Bend	trans	-56.1	153.9	169.9	-22.3	32.4	0	0	0	113.1	A149	A149-P252 HydrophobicContact CB-CB 4.37Å; A149-P252 HydrophobicContact CB-CG 4.1Å
253	P	96.4	Very high	95.7	Very high	74 Å²	74	50 Å²	50	48%	0.481	26%	0.261	S	S	.	.	P	Polyproline II helix	cis	-79.1	153.6	-0.8	31.9	-34.7	0	0	0	112.9	D255 L256	P253-D255 PolarHBondContact O-N 3.36Å; P253-L256 HydrophobicContact CG-CD1 4.21Å; P253-L256 HydrophobicContact CG-CG 4.04Å; P253-L256 PolarHBondContact O-N 2.66Å
254	A	95.6	Very high	95.5	Very high	12 Å²	12	47.4 Å²	47.4	10%	0.099	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-53.9	-29.2	-178.2	0	0	0	0	0	114.1	R146 A149 K150 L256 I257	R146-A254 HydrophobicContact CG-CB 3.88Å; A149-A254 HydrophobicContact CB-CB 4.07Å; K150-A254 HydrophobicContact CB-CB 4.08Å; A254-L256 PolarHBondContact O-N 3.07Å; A254-I257 WeakPolarHBondContact O-CB 3.28Å; A254-I257 PolarHBondContact O-N 3.47Å
255	D	94.2	Very high	95.3	Very high	152 Å²	152	45.7 Å²	45.7	81%	0.813	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-67.9	-16.5	-179.6	-61.3	-33.2	0	0	0	113.7	P253 I257	P253-D255 PolarHBondContact O-N 3.36Å; D255-I257 VanDerWaalsContact C-N 3.29Å
256	L	93.3	Very high	95.1	Very high	114 Å²	114	51.8 Å²	51.8	60%	0.597	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-78.5	-15.6	172.5	-63	-175.6	0	0	0	112.9	P253 A254 K258	P253-L256 HydrophobicContact CG-CD1 4.21Å; P253-L256 HydrophobicContact CG-CG 4.04Å; P253-L256 PolarHBondContact O-N 2.66Å; A254-L256 PolarHBondContact O-N 3.07Å; L256-K258 PolarHBondContact O-N 2.93Å
257	I	96.3	Very high	95.1	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.264	C	S	.	.	S	Bend	trans	-90.9	88	179	-54.9	164	0	0	0	108	L142 R146 A149 F250 A254 D255 L259	L142-I257 HydrophobicContact CB-CG2 4.3Å; L142-I257 HydrophobicContact CD2-CG2 4.35Å; L142-I257 WeakPolarHBondContact O-CG2 3.44Å; R146-I257 HydrophobicContact CB-CB 4.18Å; R146-I257 HydrophobicContact CB-CD1 4.25Å; R146-I257 HydrophobicContact CB-CG2 4.08Å; R146-I257 HydrophobicContact CG-CB 4.29Å; A149-I257 HydrophobicContact CB-CD1 4.39Å; F250-I257 WeakPolarHBondContact O-CD1 3.42Å; A254-I257 WeakPolarHBondContact O-CB 3.28Å; A254-I257 PolarHBondContact O-N 3.47Å; D255-I257 VanDerWaalsContact C-N 3.29Å; I257-L259 PolarHBondContact O-N 2.71Å
258	K	95.1	Very high	95	Very high	102 Å²	102	49 Å²	49	44%	0.443	27%	0.268	S	S	.	.			trans	-70	126.5	176.8	-66.9	-173.5	176.4	-174.8	0	110.7	L256 N260 D261	L256-K258 PolarHBondContact O-N 2.93Å; K258-N260 VanDerWaalsContact C-N 3.31Å; K258-D261 HydrophobicContact CD-CB 4.04Å; K258-D261 VanDerWaalsContact CD-CG 3.45Å; K258-D261 WeakPolarHBondContact CD-OD2 3.38Å; K258-D261 VanDerWaalsContact NZ-CG 3.26Å; K258-D261 IonicContact NZ-OD1 3.92Å; K258-D261 PolarHBondContact NZ-OD1 3.18Å; K258-D261 IonicContact NZ-OD2 3.66Å; K258-D261 PolarHBondContact NZ-OD2 3.31Å; K258-D261 VanDerWaalsContact NZ-OD2 3.15Å
259	L	95.5	Very high	95	Very high	29 Å²	29	48.6 Å²	48.6	15%	0.152	27%	0.266	C	S	.	.	S	Bend	trans	-83.9	-8	173.2	-61.5	-172.9	0	0	0	113.2	L142 E143 I257 D339 S340	L142-L259 HydrophobicContact CB-CD2 3.86Å; E143-L259 HydrophobicContact CG-CD1 4.06Å; E143-L259 HydrophobicContact CG-CD2 3.74Å; I257-L259 PolarHBondContact O-N 2.71Å; L259-D339 CarbonylContact O-C 3.48Å; L259-D339 VanDerWaalsContact O-CA 3.29Å; L259-D339 WeakPolarHBondContact O-CA 3.41Å; L259-S340 PolarHBondContact O-N 3.16Å
260	N	94.7	Very high	95	Very high	77 Å²	77	48.8 Å²	48.8	41%	0.412	26%	0.263	S	S	.	.	S	Bend	trans	-153	143	170.1	44.6	74.5	0	0	0	108.6	K258 H338 V364	K258-N260 VanDerWaalsContact C-N 3.31Å; N260-H338 WeakPolarHBondContact CA-O 3.37Å; N260-V364 HydrophobicContact CB-CB 4.37Å; N260-V364 HydrophobicContact CB-CG1 4.27Å
261	D	94.9	Very high	94.9	Very high	19 Å²	19	52.3 Å²	52.3	10%	0.102	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	157.8	176.4	-148.8	12.3	0	0	0	110.1	K246 K258 H338	K246-D261 IonicContact NZ-OD2 3.57Å; K246-D261 PolarHBondContact NZ-OD2 2.93Å; K258-D261 HydrophobicContact CD-CB 4.04Å; K258-D261 VanDerWaalsContact CD-CG 3.45Å; K258-D261 WeakPolarHBondContact CD-OD2 3.38Å; K258-D261 VanDerWaalsContact NZ-CG 3.26Å; K258-D261 IonicContact NZ-OD1 3.92Å; K258-D261 PolarHBondContact NZ-OD1 3.18Å; K258-D261 IonicContact NZ-OD2 3.66Å; K258-D261 PolarHBondContact NZ-OD2 3.31Å; K258-D261 VanDerWaalsContact NZ-OD2 3.15Å; D261-H338 WeakPolarHBondContact CB-NE2 3.18Å; D261-H338 PolarHBondContact N-O 3.07Å; D261-H338 VanDerWaalsContact N-O 3.12Å; D261-H338 PolarHBondContact O-N 2.99Å
262	A	94.6	Very high	95.1	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.2	175.9	0	0	0	0	0	110.1	Y336 L337 T359 L362 V364	A262-Y336 CarbonylContact C-O 3.49Å; A262-Y336 VanDerWaalsContact CA-O 3.31Å; A262-Y336 WeakPolarHBondContact CA-O 3.19Å; A262-L337 HydrophobicContact CB-CD2 3.54Å; A262-T359 HydrophobicContact CB-CG2 4.36Å; A262-T359 WeakPolarHBondContact O-CB 3.49Å; A262-T359 PolarHBondContact O-OG1 3.14Å; A262-L362 HydrophobicContact CB-CD2 3.61Å; A262-V364 HydrophobicContact CB-CG2 4.08Å
263	L	94	Very high	95.2	Very high	48 Å²	48	51.8 Å²	51.8	25%	0.251	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.1	178.4	-58.8	172.3	0	0	0	109.6	K246 L265 Y336	K246-L263 HydrophobicContact CB-CD1 4.28Å; K246-L263 HydrophobicContact CD-CD1 3.72Å; L263-L265 HydrophobicContact CB-CD2 3.95Å; L263-Y336 HydrophobicContact CB-CD1 4.06Å; L263-Y336 HydrophobicContact CD1-CD1 4.01Å; L263-Y336 HydrophobicContact CD1-CE1 4.32Å; L263-Y336 HydrophobicContact CG-CD1 4.13Å; L263-Y336 PolarHBondContact N-O 2.87Å; L263-Y336 PolarHBondContact O-N 2.85Å
264	D	93.7	Very high	95.2	Very high	29 Å²	29	49.7 Å²	49.7	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.3	168.9	-68.8	-22.7	0	0	0	108.8	M333 R335 L348 P357 T359	D264-M333 HydrophobicContact CB-CE 3.59Å; D264-R335 WeakPolarHBondContact OD1-CA 3.14Å; D264-R335 WeakPolarHBondContact OD1-CB 3.4Å; D264-R335 WeakPolarHBondContact OD1-CG 3.44Å; D264-R335 IonicContact OD1-CZ 3.56Å; D264-R335 IonicContact OD1-NE 3.99Å; D264-R335 PolarHBondContact OD1-NE 2.78Å; D264-R335 IonicContact OD1-NH2 2.66Å; D264-R335 IonicContact OD2-CZ 3.77Å; D264-R335 IonicContact OD2-NE 3.94Å; D264-R335 IonicContact OD2-NH2 2.73Å; D264-R335 PolarHBondContact OD2-NH2 3.24Å; D264-L348 HydrophobicContact CB-CD1 4.49Å; D264-P357 WeakPolarHBondContact OD2-CB 3.21Å; D264-P357 WeakPolarHBondContact OD2-CG 3.5Å; D264-T359 HydrophobicContact CB-CG2 4.44Å
265	L	94.5	Very high	95.3	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.7	-173.8	-46.7	-172.8	0	0	0	110.1	V245 L263 C267 M333 V334	V245-L265 HydrophobicContact CB-CD1 4.19Å; V245-L265 HydrophobicContact CG1-CD1 4.09Å; V245-L265 HydrophobicContact CG2-CD1 3.87Å; L263-L265 HydrophobicContact CB-CD2 3.95Å; L265-C267 PolarHBondContact O-N 3.34Å; L265-M333 WeakPolarHBondContact O-CA 3.49Å; L265-V334 HydrophobicContact CB-CB 4.38Å; L265-V334 PolarHBondContact N-O 3.3Å; L265-V334 PolarHBondContact O-N 2.86Å
266	E	94	Very high	95.4	Very high	133 Å²	133	42.2 Å²	42.2	62%	0.621	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.6	168.9	-167.8	177.1	179.9	0	0	109.7	S331 M333	E266-S331 PolarHBondContact OE1-OG 2.92Å; E266-M333 WeakPolarHBondContact CA-SD 3.13Å; E266-M333 HydrophobicContact CB-CE 4.24Å; E266-M333 HydrophobicContact CB-SD 3.57Å; E266-M333 VanDerWaalsContact CB-SD 3.57Å; E266-M333 HydrophobicContact CG-SD 3.91Å
267	C	95.6	Very high	95.6	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146	177.9	-63.2	0	0	0	0	108.9	L239 L265 S331 F332	L239-C267 HydrophobicContact CD2-CB 3.92Å; L265-C267 PolarHBondContact O-N 3.34Å; C267-S331 CarbonylContact O-C 3.58Å; C267-S331 WeakPolarHBondContact O-CA 3.24Å; C267-F332 HydrophobicContact CB-CD1 4.09Å; C267-F332 HydrophobicContact CB-CD2 4.3Å; C267-F332 HydrophobicContact CB-CE1 3.61Å; C267-F332 HydrophobicContact CB-CE2 3.88Å; C267-F332 HydrophobicContact CB-CG 4.42Å; C267-F332 HydrophobicContact CB-CZ 3.51Å; C267-F332 PolarHBondContact N-O 3.43Å; C267-F332 PolarHBondContact O-N 3.44Å
268	T	96.2	Very high	95.7	Very high	78 Å²	78	36.6 Å²	36.6	48%	0.479	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.8	173.4	-53.4	0	0	0	0	109.2	F270	T268-F270 PolarHBondContact O-N 3.45Å
269	T	97.5	Very high	95.9	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	17%	0.167	C	C	.	.			trans	-67.2	121.8	-179.2	-51	0	0	0	0	110.1	E271 L326 I327 N329 E330 F332	T269-E271 WeakPolarHBondContact CG2-O 3.49Å; T269-L326 HydrophobicContact CG2-CB 3.78Å; T269-I327 WeakPolarHBondContact CB-O 3.48Å; T269-N329 WeakPolarHBondContact O-CA 3.14Å; T269-N329 PolarHBondContact O-N 3.28Å; T269-E330 WeakPolarHBondContact CB-O 3.47Å; T269-E330 PolarHBondContact N-O 2.49Å; T269-E330 PolarHBondContact OG1-O 3.2Å; T269-E330 VanDerWaalsContact OG1-O 3.06Å; T269-F332 WeakPolarHBondContact OG1-CD1 3.33Å; T269-F332 WeakPolarHBondContact OG1-CE1 3.18Å
270	F	96.5	Very high	96	Very high	80 Å²	80	30.6 Å²	30.6	35%	0.351	16%	0.161	S	C	.	.	S	Bend	trans	-84.3	-39.7	177.8	172.8	-114.6	0	0	0	112.2	L238 K240 T268 K328	L238-F270 PolarHBondContact O-N 2.82Å; K240-F270 HydrophobicContact CB-CB 3.85Å; K240-F270 HydrophobicContact CB-CD1 4.33Å; K240-F270 HydrophobicContact CB-CD2 3.74Å; K240-F270 HydrophobicContact CB-CE2 4.4Å; K240-F270 HydrophobicContact CB-CG 3.69Å; K240-F270 HydrophobicContact CD-CD2 4.22Å; K240-F270 HydrophobicContact CD-CE2 4.31Å; K240-F270 HydrophobicContact CG-CD2 3.98Å; K240-F270 HydrophobicContact CG-CE2 4.15Å; K240-F270 HydrophobicContact CG-CG 4.29Å; K240-F270 VanDerWaalsContact N-CB 3.26Å; T268-F270 PolarHBondContact O-N 3.45Å; F270-K328 WeakPolarHBondContact O-CD 3.37Å; F270-K328 VanDerWaalsContact O-CE 3.3Å; F270-K328 WeakPolarHBondContact O-CE 3.42Å; F270-K328 WeakPolarHBondContact O-CG 3.46Å
271	E	93	Very high	96.2	Very high	75 Å²	75	27.1 Å²	27.1	35%	0.35	14%	0.142	S	C	.	.	S	Bend	trans	-133.3	138.3	176.6	-72.9	-172.4	178.1	0	0	110	T269 G273	T269-E271 WeakPolarHBondContact CG2-O 3.49Å; E271-G273 PolarHBondContact O-N 2.84Å
272	S	96.8	Very high	96.4	Very high	42 Å²	42	26.3 Å²	26.3	29%	0.294	14%	0.138	S	C	.	.			trans	-64.1	137	177	-56.7	0	0	0	0	109.7	R236 L326 K328	R236-S272 PolarHBondContact NH2-O 3.09Å; S272-L326 VanDerWaalsContact CA-O 3.24Å; S272-L326 WeakPolarHBondContact CA-O 3.5Å; S272-K328 WeakPolarHBondContact OG-CB 3.13Å; S272-K328 PolarHBondContact OG-N 3.44Å
273	G	96.6	Very high	96.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.1	173.9	-177.7	0	0	0	0	0	112.3	E172 E271 L326	E172-G273 WeakPolarHBondContact OE2-CA 3.46Å; E271-G273 PolarHBondContact O-N 2.84Å; G273-L326 PolarHBondContact N-O 3.3Å; G273-L326 PolarHBondContact O-N 3.08Å
274	T	97	Very high	96.8	Very high	30 Å²	30	24.5 Å²	24.5	18%	0.184	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115	-179.3	-53.3	0	0	0	0	110.3	E172 H276 A323 H324	E172-T274 WeakPolarHBondContact CA-O 3.17Å; E172-T274 WeakPolarHBondContact CB-O 3.26Å; E172-T274 PolarHBondContact OE2-N 3.34Å; T274-H276 WeakPolarHBondContact CG2-NE2 3.45Å; T274-H276 PolarHBondContact O-N 3.12Å; T274-H276 PolarHBondContact O-ND1 2.9Å; T274-H276 VanDerWaalsContact O-ND1 3.09Å; T274-A323 HydrophobicContact CG2-CB 3.72Å; T274-H324 CarbonylContact C-O 3.57Å; T274-H324 WeakPolarHBondContact CA-O 3.42Å
275	A	97.3	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	95	173.5	0	0	0	0	0	109.8	V170 L238 H324 L326 I347	V170-A275 HydrophobicContact CG1-CB 3.55Å; L238-A275 HydrophobicContact CD1-CB 4.08Å; A275-H324 PolarHBondContact N-O 3.21Å; A275-H324 PolarHBondContact O-N 2.58Å; A275-L326 HydrophobicContact CB-CD1 3.82Å; A275-L326 HydrophobicContact CB-CG 4.18Å; A275-I347 HydrophobicContact CB-CD1 3.55Å
276	H	97.1	Very high	97.2	Very high	7 Å²	7	24 Å²	24	3%	0.032	13%	0.126	C	C	.	.			trans	-90.7	-33.2	-179.6	-71.3	114.7	0	0	0	112.1	V171 E172 S173 Q174 W177 T274 P320	V171-H276 PolarHBondContact O-N 3.2Å; E172-H276 IonicContact OE1-CE1 3.71Å; S173-H276 PolarHBondContact N-ND1 3.04Å; Q174-H276 PolarHBondContact NE2-CE1 3.34Å; Q174-H276 PolarHBondContact NE2-NE2 2.8Å; W177-H276 HydrophobicContact CB-CB 4.04Å; W177-H276 AromaticContact CD1-CD2 3.71Å; W177-H276 HydrophobicContact CD2-CB 4.44Å; W177-H276 AromaticContact CD2-CD2 3.76Å; W177-H276 HydrophobicContact CE3-CB 4.21Å; W177-H276 HydrophobicContact CG-CB 4.39Å; W177-H276 AromaticContact CG-CD2 3.44Å; W177-H276 VanDerWaalsContact CG-CD2 3.44Å; W177-H276 WeakPolarHBondContact CZ3-O 3.49Å; T274-H276 WeakPolarHBondContact CG2-NE2 3.45Å; T274-H276 PolarHBondContact O-N 3.12Å; T274-H276 PolarHBondContact O-ND1 2.9Å; T274-H276 VanDerWaalsContact O-ND1 3.09Å; H276-P320 VanDerWaalsContact O-CD 3.32Å; H276-P320 WeakPolarHBondContact O-CD 3.13Å
277	A	97.8	Very high	97.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.6	-175.7	0	0	0	0	0	111.9	V171 L176 V317 Y318 F319	V171-A277 HydrophobicContact CG2-CB 3.97Å; V171-A277 WeakPolarHBondContact CG2-O 2.99Å; V171-A277 PolarHBondContact N-O 2.93Å; V171-A277 PolarHBondContact O-N 2.85Å; L176-A277 HydrophobicContact CB-CB 4.15Å; L176-A277 HydrophobicContact CD1-CB 3.95Å; A277-V317 HydrophobicContact CB-CG1 3.85Å; A277-Y318 CarbonylContact C-O 3.59Å; A277-Y318 WeakPolarHBondContact CA-O 3.4Å; A277-F319 HydrophobicContact CB-CD1 4.07Å; A277-F319 HydrophobicContact CB-CE1 4.07Å
278	F	98	Very high	97.2	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	167.7	-52.6	-70.1	0	0	0	108.5	L168 Q169 V170 V280 V317 Y318 P320 V334 F345 I347	L168-F278 HydrophobicContact CD1-CB 3.87Å; L168-F278 HydrophobicContact CD1-CD1 3.81Å; L168-F278 HydrophobicContact CD1-CG 3.99Å; L168-F278 HydrophobicContact CD2-CD1 4.09Å; L168-F278 HydrophobicContact CG-CB 4.21Å; L168-F278 HydrophobicContact CG-CD1 4.23Å; Q169-F278 WeakPolarHBondContact O-CA 3.31Å; V170-F278 HydrophobicContact CG1-CE1 4.47Å; V170-F278 HydrophobicContact CG2-CD1 3.96Å; V170-F278 HydrophobicContact CG2-CE1 3.99Å; F278-V280 HydrophobicContact CB-CG2 4.24Å; F278-V317 WeakPolarHBondContact O-CA 3.35Å; F278-Y318 PolarHBondContact N-O 2.8Å; F278-Y318 PolarHBondContact O-N 3.45Å; F278-P320 HydrophobicContact CE2-CB 3.92Å; F278-P320 HydrophobicContact CE2-CG 4.38Å; F278-P320 HydrophobicContact CZ-CB 4.18Å; F278-V334 HydrophobicContact CE1-CG1 3.88Å; F278-V334 HydrophobicContact CE1-CG2 4Å; F278-V334 HydrophobicContact CZ-CG1 4.04Å; F278-F345 HydrophobicContact CD2-CB 3.48Å; F278-F345 VanDerWaalsContact CD2-CB 3.48Å; F278-F345 HydrophobicContact CD2-CG 4.43Å; F278-F345 HydrophobicContact CE2-CB 3.63Å; F278-F345 HydrophobicContact CG-CB 4.11Å; F278-F345 HydrophobicContact CZ-CB 4.37Å; F278-I347 HydrophobicContact CE1-CD1 4.39Å; F278-I347 HydrophobicContact CE1-CG1 4.1Å; F278-I347 HydrophobicContact CZ-CD1 4.24Å; F278-I347 HydrophobicContact CZ-CG1 3.61Å
279	V	98.5	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.3	167.2	178.4	0	0	0	0	107.4	L168 Q169 V171 L176 V218 W281 P299 W301 Q315	L168-V279 CarbonylContact C-O 3.57Å; L168-V279 WeakPolarHBondContact CA-O 3.33Å; Q169-V279 PolarHBondContact N-O 2.67Å; Q169-V279 PolarHBondContact O-N 3.08Å; V171-V279 HydrophobicContact CG1-CG2 3.97Å; V171-V279 HydrophobicContact CG2-CG2 3.91Å; L176-V279 HydrophobicContact CD1-CG2 4.42Å; V218-V279 HydrophobicContact CB-CG1 4.29Å; V218-V279 HydrophobicContact CG1-CG1 3.87Å; V218-V279 HydrophobicContact CG1-CG2 4.02Å; V218-V279 HydrophobicContact CG2-CG1 4.14Å; V218-V279 HydrophobicContact CG2-CG2 4.47Å; V279-W281 HydrophobicContact CB-CZ3 4.47Å; V279-W281 HydrophobicContact CG1-CE3 4.04Å; V279-W281 HydrophobicContact CG1-CZ3 4.04Å; V279-W281 WeakPolarHBondContact O-CZ3 3.42Å; V279-P299 HydrophobicContact CG1-CG 4.31Å; V279-W301 HydrophobicContact CG1-CZ2 4.23Å; V279-Q315 HydrophobicContact CG1-CB 4.3Å
280	V	98.5	Very high	96.9	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.03	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.3	-173.2	179.9	0	0	0	0	109.4	V166 Y167 L168 F278 A316 Y318 F345	V166-V280 HydrophobicContact CG1-CG1 3.65Å; Y167-V280 WeakPolarHBondContact O-CA 3.26Å; Y167-V280 WeakPolarHBondContact O-CG1 3.33Å; L168-V280 HydrophobicContact CB-CG2 4.28Å; L168-V280 HydrophobicContact CD1-CG2 4.07Å; L168-V280 HydrophobicContact CG-CG2 4.24Å; F278-V280 HydrophobicContact CB-CG2 4.24Å; V280-A316 HydrophobicContact CB-CB 4.26Å; V280-A316 PolarHBondContact N-O 3.41Å; V280-A316 PolarHBondContact O-N 3.21Å; V280-Y318 HydrophobicContact CB-CD2 4.17Å; V280-Y318 HydrophobicContact CB-CE2 4.05Å; V280-Y318 HydrophobicContact CG1-CE2 4.38Å; V280-Y318 HydrophobicContact CG2-CD2 3.75Å; V280-Y318 HydrophobicContact CG2-CE2 4.06Å; V280-F345 HydrophobicContact CG1-CE2 4.29Å; V280-F345 HydrophobicContact CG1-CZ 3.98Å; V280-F345 HydrophobicContact CG2-CD2 4.3Å; V280-F345 HydrophobicContact CG2-CE1 4.26Å; V280-F345 HydrophobicContact CG2-CE2 3.84Å; V280-F345 HydrophobicContact CG2-CZ 3.81Å
281	W	98.4	Very high	96.9	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	178.2	175.7	66.7	94.8	0	0	0	109.3	V166 Y167 Q169 P242 V279 V297 A298 P299 W301 V302 Q315	V166-W281 CarbonylContact C-O 3.57Å; V166-W281 WeakPolarHBondContact CA-O 3.43Å; Y167-W281 AromaticContact CD2-CD1 3.93Å; Y167-W281 AromaticContact CD2-NE1 3.66Å; Y167-W281 HydrophobicContact CG-CZ2 4.47Å; Y167-W281 AromaticContact CG-NE1 3.8Å; Y167-W281 PolarHBondContact N-O 2.95Å; Y167-W281 PolarHBondContact O-N 2.92Å; Y167-W281 VanDerWaalsContact O-N 3.16Å; Q169-W281 HydrophobicContact CB-CH2 4.06Å; Q169-W281 HydrophobicContact CB-CZ3 3.97Å; P242-W281 HydrophobicContact CB-CH2 3.49Å; P242-W281 VanDerWaalsContact CB-CH2 3.49Å; P242-W281 HydrophobicContact CB-CZ2 3.5Å; P242-W281 HydrophobicContact CG-CH2 3.48Å; P242-W281 VanDerWaalsContact CG-CH2 3.48Å; P242-W281 HydrophobicContact CG-CZ2 3.51Å; V279-W281 HydrophobicContact CB-CZ3 4.47Å; V279-W281 HydrophobicContact CG1-CE3 4.04Å; V279-W281 HydrophobicContact CG1-CZ3 4.04Å; V279-W281 WeakPolarHBondContact O-CZ3 3.42Å; W281-V297 HydrophobicContact CB-CG2 3.98Å; W281-A298 HydrophobicContact CG-CB 4.29Å; W281-P299 HydrophobicContact CD2-CG 4.45Å; W281-P299 HydrophobicContact CE3-CG 4.11Å; W281-P299 HydrophobicContact CH2-CG 4.48Å; W281-P299 HydrophobicContact CZ3-CG 4.13Å; W281-W301 AromaticContact CH2-CH2 3.92Å; W281-W301 HydrophobicContact CH2-CH2 3.92Å; W281-W301 HydrophobicContact CH2-CZ3 4.44Å; W281-W301 HydrophobicContact CZ3-CH2 4.03Å; W281-V302 HydrophobicContact CH2-CG2 3.74Å; W281-V302 HydrophobicContact CZ2-CG1 4.34Å; W281-V302 HydrophobicContact CZ2-CG2 3.56Å; W281-Q315 HydrophobicContact CB-CG 4.41Å
282	W	98.5	Very high	97.1	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	167.3	-179.2	49.2	-97.7	0	0	0	113.1	F132 D133 T134 L136 Q165 V166 L284 V297 W313	F132-W282 HydrophobicContact CB-CH2 4.12Å; F132-W282 HydrophobicContact CB-CZ2 4.12Å; D133-W282 VanDerWaalsContact O-CZ2 3.24Å; D133-W282 WeakPolarHBondContact O-CZ2 3.48Å; D133-W282 PolarHBondContact O-NE1 2.97Å; D133-W282 VanDerWaalsContact O-NE1 3.11Å; T134-W282 PolarHBondContact O-NE1 3.44Å; T134-W282 VanDerWaalsContact O-NE1 3.12Å; L136-W282 HydrophobicContact CB-CD2 4.33Å; L136-W282 HydrophobicContact CB-CG 3.93Å; L136-W282 HydrophobicContact CD1-CD2 3.83Å; L136-W282 HydrophobicContact CD1-CE3 4.15Å; L136-W282 HydrophobicContact CD1-CG 4.07Å; L136-W282 HydrophobicContact CD2-CB 4.45Å; L136-W282 HydrophobicContact CG-CG 4.4Å; Q165-W282 CarbonylContact O-C 3.5Å; Q165-W282 WeakPolarHBondContact O-CA 3.34Å; Q165-W282 WeakPolarHBondContact O-CB 3.08Å; V166-W282 HydrophobicContact CG2-CB 4.34Å; W282-L284 HydrophobicContact CE3-CD1 4.44Å; W282-L284 HydrophobicContact CE3-CD2 4.23Å; W282-L284 HydrophobicContact CE3-CG 3.85Å; W282-L284 HydrophobicContact CH2-CD1 4.08Å; W282-L284 HydrophobicContact CH2-CG 4.36Å; W282-L284 HydrophobicContact CZ3-CD1 3.55Å; W282-L284 HydrophobicContact CZ3-CD2 4.1Å; W282-L284 HydrophobicContact CZ3-CG 3.44Å; W282-L284 VanDerWaalsContact CZ3-CG 3.44Å; W282-V297 HydrophobicContact CD2-CG2 3.95Å; W282-V297 HydrophobicContact CE3-CG1 4.49Å; W282-V297 HydrophobicContact CE3-CG2 4.32Å; W282-V297 HydrophobicContact CG-CG2 4.2Å; W282-V297 HydrophobicContact CH2-CG1 4.16Å; W282-V297 HydrophobicContact CZ2-CG1 4.4Å; W282-V297 HydrophobicContact CZ2-CG2 4.49Å; W282-V297 HydrophobicContact CZ3-CG1 4.14Å; W282-V297 WeakPolarHBondContact O-CG2 3.43Å; W282-V297 PolarHBondContact O-N 3.04Å; W282-V297 VanDerWaalsContact O-N 3.14Å; W282-W313 AromaticContact CH2-CD2 3.5Å; W282-W313 HydrophobicContact CH2-CD2 3.5Å; W282-W313 AromaticContact CH2-CE2 3.79Å; W282-W313 AromaticContact CH2-CE3 3.46Å; W282-W313 HydrophobicContact CH2-CE3 3.46Å; W282-W313 VanDerWaalsContact CH2-CE3 3.46Å; W282-W313 HydrophobicContact CH2-CG 4.09Å; W282-W313 AromaticContact CH2-CH2 3.95Å; W282-W313 HydrophobicContact CH2-CH2 3.95Å; W282-W313 HydrophobicContact CH2-CZ2 4.02Å; W282-W313 AromaticContact CH2-CZ3 3.7Å; W282-W313 HydrophobicContact CH2-CZ3 3.7Å; W282-W313 HydrophobicContact CZ2-CB 4.38Å; W282-W313 AromaticContact CZ2-CD2 3.78Å; W282-W313 HydrophobicContact CZ2-CD2 3.78Å; W282-W313 HydrophobicContact CZ2-CE3 4.18Å; W282-W313 AromaticContact CZ2-CG 3.87Å; W282-W313 HydrophobicContact CZ2-CG 3.87Å; W282-W313 HydrophobicContact CZ3-CE3 4.26Å; W282-W313 HydrophobicContact CZ3-CZ3 4.31Å
283	S	98.3	Very high	97.1	Very high	12 Å²	12	23.2 Å²	23.2	8%	0.084	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.1	168.7	69.6	0	0	0	0	110.9	A164 Q165 I295	A164-S283 CarbonylContact C-O 3.57Å; A164-S283 VanDerWaalsContact CA-O 3.28Å; A164-S283 WeakPolarHBondContact CA-O 3.47Å; Q165-S283 PolarHBondContact N-O 2.92Å; Q165-S283 PolarHBondContact O-N 3.27Å; S283-I295 CarbonylContact C-O 3.45Å; S283-I295 WeakPolarHBondContact CA-O 3.24Å; S283-I295 WeakPolarHBondContact CB-O 3.4Å
284	L	98.5	Very high	97.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.4	174.8	-62.8	169.7	0	0	0	110.3	F132 L136 P161 A164 F250 W282 M286 P294 I295 W313	F132-L284 HydrophobicContact CD1-CD2 4.42Å; F132-L284 HydrophobicContact CD2-CD1 3.8Å; F132-L284 HydrophobicContact CD2-CD2 4.27Å; F132-L284 HydrophobicContact CE1-CD2 4.19Å; F132-L284 HydrophobicContact CE2-CD1 3.93Å; F132-L284 HydrophobicContact CE2-CD2 4.04Å; F132-L284 HydrophobicContact CG-CD1 4.48Å; F132-L284 HydrophobicContact CG-CD2 4.46Å; F132-L284 HydrophobicContact CZ-CD2 3.99Å; L136-L284 HydrophobicContact CD1-CD2 3.96Å; P161-L284 HydrophobicContact CB-CB 4Å; P161-L284 HydrophobicContact CB-CD2 4.3Å; P161-L284 HydrophobicContact CG-CB 4.43Å; P161-L284 HydrophobicContact CG-CD1 4.2Å; P161-L284 HydrophobicContact CG-CD2 3.99Å; P161-L284 HydrophobicContact CG-CG 4.42Å; A164-L284 HydrophobicContact CB-CD2 3.77Å; F250-L284 HydrophobicContact CE2-CD2 4.48Å; W282-L284 HydrophobicContact CE3-CD1 4.44Å; W282-L284 HydrophobicContact CE3-CD2 4.23Å; W282-L284 HydrophobicContact CE3-CG 3.85Å; W282-L284 HydrophobicContact CH2-CD1 4.08Å; W282-L284 HydrophobicContact CH2-CG 4.36Å; W282-L284 HydrophobicContact CZ3-CD1 3.55Å; W282-L284 HydrophobicContact CZ3-CD2 4.1Å; W282-L284 HydrophobicContact CZ3-CG 3.44Å; W282-L284 VanDerWaalsContact CZ3-CG 3.44Å; L284-M286 HydrophobicContact CB-SD 4.02Å; L284-M286 PolarHBondContact O-N 3.35Å; L284-P294 WeakPolarHBondContact O-CA 3.29Å; L284-P294 WeakPolarHBondContact O-CB 3.28Å; L284-I295 HydrophobicContact CB-CB 4.27Å; L284-I295 HydrophobicContact CD1-CB 4.48Å; L284-I295 HydrophobicContact CD1-CD1 4.39Å; L284-I295 PolarHBondContact N-O 3.3Å; L284-I295 PolarHBondContact O-N 3.11Å; L284-W313 HydrophobicContact CD1-CH2 4.43Å
285	Q	98.2	Very high	97.2	Very high	25 Å²	25	23.5 Å²	23.5	12%	0.117	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.5	163.2	-176.3	179.6	-6.3	0	0	108.3	P161 C162 A163 E287 N290	P161-Q285 WeakPolarHBondContact CB-O 3.22Å; C162-Q285 PolarHBondContact N-O 2.83Å; C162-Q285 PolarHBondContact SG-O 2.62Å; C162-Q285 VanDerWaalsContact SG-O 3.39Å; A163-Q285 HydrophobicContact CB-CB 4.21Å; A163-Q285 PolarHBondContact N-O 3.14Å; A163-Q285 PolarHBondContact O-N 3.11Å; Q285-E287 WeakPolarHBondContact CG-O 3.49Å; Q285-E287 PolarHBondContact NE2-O 2.79Å; Q285-N290 WeakPolarHBondContact CG-OD1 3.2Å; Q285-N290 PolarHBondContact NE2-OD1 2.88Å; Q285-N290 VanDerWaalsContact NE2-OD1 3.12Å
286	M	98.3	Very high	97.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	14%	0.14	C	C	.	.			trans	-70	-37.9	-172.8	-57.8	-51.4	-66.4	0	0	112.8	Y34 A37 I160 P161 L284 V292 I295	Y34-M286 HydrophobicContact CD1-CE 3.91Å; Y34-M286 HydrophobicContact CD2-CE 3.74Å; Y34-M286 HydrophobicContact CE1-CE 4.04Å; Y34-M286 HydrophobicContact CE2-CE 3.87Å; Y34-M286 HydrophobicContact CG-CE 3.77Å; A37-M286 HydrophobicContact CB-CB 3.62Å; I160-M286 WeakPolarHBondContact CA-O 3.14Å; I160-M286 HydrophobicContact CG2-CE 4.11Å; P161-M286 HydrophobicContact CB-SD 4.26Å; L284-M286 HydrophobicContact CB-SD 4.02Å; L284-M286 PolarHBondContact O-N 3.35Å; M286-V292 HydrophobicContact CB-CB 4.4Å; M286-V292 HydrophobicContact CB-CG1 4.37Å; M286-V292 HydrophobicContact CG-CG1 4.26Å; M286-I295 HydrophobicContact CE-CD1 3.83Å; M286-I295 HydrophobicContact SD-CB 4.42Å; M286-I295 HydrophobicContact SD-CD1 3.57Å; M286-I295 VanDerWaalsContact SD-CD1 3.57Å; M286-I295 HydrophobicContact SD-CG1 3.79Å
287	E	96	Very high	97.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-154.2	160.9	178.2	56.7	72.4	-144	0	0	111.7	A37 H40 C162 Q285 T289 N290 T291 V292	A37-E287 HydrophobicContact CB-CG 4.32Å; H40-E287 IonicContact CD2-OE2 2.87Å; H40-E287 IonicContact NE2-OE2 2.68Å; C162-E287 VanDerWaalsContact SG-C 3.53Å; Q285-E287 WeakPolarHBondContact CG-O 3.49Å; Q285-E287 PolarHBondContact NE2-O 2.79Å; E287-T289 VanDerWaalsContact C-N 3.28Å; E287-T289 PolarHBondContact O-N 3.03Å; E287-T289 PolarHBondContact OE1-OG1 2.88Å; E287-T289 WeakPolarHBondContact OE2-CA 3.3Å; E287-T289 VanDerWaalsContact OE2-CB 3.24Å; E287-T289 WeakPolarHBondContact OE2-CB 3.43Å; E287-T289 WeakPolarHBondContact OE2-CG2 3.4Å; E287-T289 PolarHBondContact OE2-N 2.94Å; E287-T289 PolarHBondContact OE2-OG1 2.77Å; E287-N290 PolarHBondContact O-N 2.87Å; E287-N290 WeakPolarHBondContact OE1-CA 3.38Å; E287-N290 PolarHBondContact OE1-N 2.8Å; E287-T291 PolarHBondContact OE1-N 2.71Å; E287-V292 HydrophobicContact CG-CG2 4.45Å; E287-V292 PolarHBondContact OE1-N 2.9Å
288	P	93.6	Very high	97.3	Very high	75 Å²	75	23.1 Å²	23.1	49%	0.487	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.2	-168.5	-26.6	36.4	0	0	0	116.2	C162	C162-P288 HydrophobicContact CB-CG 4.35Å
289	T	94	Very high	97.2	Very high	66 Å²	66	23.1 Å²	23.1	41%	0.405	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.2	-175.8	75.9	0	0	0	0	113.5	H40 E287 T291	H40-T289 PolarHBondContact NE2-OG1 3.34Å; E287-T289 VanDerWaalsContact C-N 3.28Å; E287-T289 PolarHBondContact O-N 3.03Å; E287-T289 PolarHBondContact OE1-OG1 2.88Å; E287-T289 WeakPolarHBondContact OE2-CA 3.3Å; E287-T289 VanDerWaalsContact OE2-CB 3.24Å; E287-T289 WeakPolarHBondContact OE2-CB 3.43Å; E287-T289 WeakPolarHBondContact OE2-CG2 3.4Å; E287-T289 PolarHBondContact OE2-N 2.94Å; E287-T289 PolarHBondContact OE2-OG1 2.77Å; T289-T291 PolarHBondContact O-N 2.97Å; T289-T291 WeakPolarHBondContact OG1-CB 3.38Å; T289-T291 PolarHBondContact OG1-N 3.06Å; T289-T291 PolarHBondContact OG1-OG1 2.96Å
290	N	93.5	Very high	97	Very high	101 Å²	101	26.6 Å²	26.6	54%	0.54	16%	0.163	S	C	.	.			trans	55.6	25.9	-172.9	-58.2	-66.4	0	0	0	113.7	Q285 E287 V292	Q285-N290 WeakPolarHBondContact CG-OD1 3.2Å; Q285-N290 PolarHBondContact NE2-OD1 2.88Å; Q285-N290 VanDerWaalsContact NE2-OD1 3.12Å; E287-N290 PolarHBondContact O-N 2.87Å; E287-N290 WeakPolarHBondContact OE1-CA 3.38Å; E287-N290 PolarHBondContact OE1-N 2.8Å; N290-V292 VanDerWaalsContact C-N 3.26Å
291	T	96	Very high	96.7	Very high	87 Å²	87	28.7 Å²	28.7	53%	0.534	17%	0.171	S	C	.	.			trans	-65.3	-36.7	171.3	-60.6	0	0	0	0	110.2	H40 E287 T289	H40-T291 PolarHBondContact CE1-OG1 3.33Å; E287-T291 PolarHBondContact OE1-N 2.71Å; T289-T291 PolarHBondContact O-N 2.97Å; T289-T291 WeakPolarHBondContact OG1-CB 3.38Å; T289-T291 PolarHBondContact OG1-N 3.06Å; T289-T291 PolarHBondContact OG1-OG1 2.96Å
292	V	97.6	Very high	96.5	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.042	18%	0.184	C	C	.	.	S	Bend	trans	-91.8	127	173.7	-175.1	0	0	0	0	109.2	K33 L36 A37 M286 E287 N290	K33-V292 HydrophobicContact CB-CG1 4.25Å; K33-V292 HydrophobicContact CG-CG1 4.35Å; L36-V292 HydrophobicContact CB-CG1 4.01Å; L36-V292 HydrophobicContact CB-CG2 3.81Å; A37-V292 HydrophobicContact CB-CB 4.46Å; A37-V292 HydrophobicContact CB-CG1 4.49Å; A37-V292 HydrophobicContact CB-CG2 4.18Å; M286-V292 HydrophobicContact CB-CB 4.4Å; M286-V292 HydrophobicContact CB-CG1 4.37Å; M286-V292 HydrophobicContact CG-CG1 4.26Å; E287-V292 HydrophobicContact CG-CG2 4.45Å; E287-V292 PolarHBondContact OE1-N 2.9Å; N290-V292 VanDerWaalsContact C-N 3.26Å
293	P	97.5	Very high	96.2	Very high	60 Å²	60	33.6 Å²	33.6	39%	0.39	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-58	147.7	175.4	-21.6	31.6	0	0	0	111.8	N306	P293-N306 VanDerWaalsContact CB-OD1 3.28Å; P293-N306 WeakPolarHBondContact CB-OD1 3.46Å
294	P	97.9	Very high	96.1	Very high	37 Å²	37	35 Å²	35	24%	0.24	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.2	155	-179.1	29.1	-35.4	0	0	0	111.5	K33 L284 N306	K33-P294 WeakPolarHBondContact CE-O 3.2Å; K33-P294 PolarHBondContact NZ-O 2.95Å; L284-P294 WeakPolarHBondContact O-CA 3.29Å; L284-P294 WeakPolarHBondContact O-CB 3.28Å; P294-N306 HydrophobicContact CG-CB 4.33Å; P294-N306 WeakPolarHBondContact O-CB 3.4Å
295	I	98.4	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.8	158.6	-65.1	168.2	0	0	0	106.7	R30 K33 Y34 S283 L284 M286 W313	R30-I295 HydrophobicContact CB-CD1 4.22Å; R30-I295 HydrophobicContact CG-CD1 3.82Å; K33-I295 HydrophobicContact CB-CD1 4.37Å; K33-I295 HydrophobicContact CB-CG1 4Å; K33-I295 HydrophobicContact CD-CG1 3.6Å; K33-I295 HydrophobicContact CG-CG1 4.45Å; Y34-I295 HydrophobicContact CD2-CD1 3.92Å; Y34-I295 HydrophobicContact CE2-CD1 3.75Å; S283-I295 CarbonylContact C-O 3.45Å; S283-I295 WeakPolarHBondContact CA-O 3.24Å; S283-I295 WeakPolarHBondContact CB-O 3.4Å; L284-I295 HydrophobicContact CB-CB 4.27Å; L284-I295 HydrophobicContact CD1-CB 4.48Å; L284-I295 HydrophobicContact CD1-CD1 4.39Å; L284-I295 PolarHBondContact N-O 3.3Å; L284-I295 PolarHBondContact O-N 3.11Å; M286-I295 HydrophobicContact CE-CD1 3.83Å; M286-I295 HydrophobicContact SD-CB 4.42Å; M286-I295 HydrophobicContact SD-CD1 3.57Å; M286-I295 VanDerWaalsContact SD-CD1 3.57Å; M286-I295 HydrophobicContact SD-CG1 3.79Å; I295-W313 HydrophobicContact CG2-CZ3 4.08Å
296	S	98.1	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.7	177.1	-177.4	0	0	0	0	110.2	A298 D304 S307 R310	S296-A298 WeakPolarHBondContact OG-CB 3.39Å; S296-A298 PolarHBondContact OG-N 2.74Å; S296-D304 WeakPolarHBondContact CB-OD2 3.18Å; S296-D304 PolarHBondContact OG-OD2 3.39Å; S296-S307 WeakPolarHBondContact O-CA 3.33Å; S296-R310 PolarHBondContact O-NH1 3.18Å
297	V	97.6	Very high	95.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	28%	0.275	C	S	.	.			trans	-110	25.4	174.5	-51.1	0	0	0	0	111.1	W281 W282 W313 Q315	W281-V297 HydrophobicContact CB-CG2 3.98Å; W282-V297 HydrophobicContact CD2-CG2 3.95Å; W282-V297 HydrophobicContact CE3-CG1 4.49Å; W282-V297 HydrophobicContact CE3-CG2 4.32Å; W282-V297 HydrophobicContact CG-CG2 4.2Å; W282-V297 HydrophobicContact CH2-CG1 4.16Å; W282-V297 HydrophobicContact CZ2-CG1 4.4Å; W282-V297 HydrophobicContact CZ2-CG2 4.49Å; W282-V297 HydrophobicContact CZ3-CG1 4.14Å; W282-V297 WeakPolarHBondContact O-CG2 3.43Å; W282-V297 PolarHBondContact O-N 3.04Å; W282-V297 VanDerWaalsContact O-N 3.14Å; V297-W313 HydrophobicContact CB-CB 4.5Å; V297-W313 HydrophobicContact CG1-CB 3.82Å; V297-W313 HydrophobicContact CG1-CE3 4.07Å; V297-Q315 PolarHBondContact O-NE2 3.05Å
298	A	97.9	Very high	95.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.287	C	S	.	.			trans	-61	140.4	179.5	0	0	0	0	0	111.8	W281 S296 V302 D304 S307	W281-A298 HydrophobicContact CG-CB 4.29Å; S296-A298 WeakPolarHBondContact OG-CB 3.39Å; S296-A298 PolarHBondContact OG-N 2.74Å; A298-V302 HydrophobicContact CB-CB 4.27Å; A298-V302 HydrophobicContact CB-CG1 4.33Å; A298-V302 HydrophobicContact CB-CG2 4.49Å; A298-D304 HydrophobicContact CB-CB 3.94Å; A298-S307 PolarHBondContact O-OG 3.25Å
299	P	96.3	Very high	95.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	27%	0.274	C	S	.	.			trans	-62.7	149.2	174.7	22.9	-28	0	0	0	111.2	V218 S219 V279 W281 W301 V302 Q315	V218-P299 HydrophobicContact CG1-CB 4.39Å; S219-P299 WeakPolarHBondContact OG-CA 3.43Å; V279-P299 HydrophobicContact CG1-CG 4.31Å; W281-P299 HydrophobicContact CD2-CG 4.45Å; W281-P299 HydrophobicContact CE3-CG 4.11Å; W281-P299 HydrophobicContact CH2-CG 4.48Å; W281-P299 HydrophobicContact CZ3-CG 4.13Å; P299-W301 HydrophobicContact CB-CD2 4.36Å; P299-W301 HydrophobicContact CB-CZ2 4.04Å; P299-W301 HydrophobicContact CG-CD2 4.19Å; P299-W301 HydrophobicContact CG-CH2 3.87Å; P299-W301 HydrophobicContact CG-CZ2 3.33Å; P299-W301 PolarHBondContact O-N 3.33Å; P299-W301 VanDerWaalsContact O-N 3.08Å; P299-V302 HydrophobicContact CG-CG2 3.8Å; P299-V302 WeakPolarHBondContact O-CB 3.47Å; P299-V302 PolarHBondContact O-N 2.97Å; P299-Q315 HydrophobicContact CB-CG 4.01Å; P299-Q315 HydrophobicContact CG-CG 4.17Å
300	S	93.2	Very high	95.5	Very high	73 Å²	73	41 Å²	41	51%	0.51	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-50.8	-38.3	-172.9	59.6	0	0	0	0	113.9	S219 V302 G303	S219-S300 PolarHBondContact O-OG 3.17Å; S219-S300 PolarHBondContact OG-N 3.14Å; S300-V302 PolarHBondContact O-N 2.9Å; S300-G303 PolarHBondContact O-N 2.76Å; S300-G303 VanDerWaalsContact O-N 3.11Å
301	W	92	Very high	95.3	Very high	49 Å²	49	37.7 Å²	37.7	19%	0.186	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-70.6	-11.5	-178.5	55.2	-106.9	0	0	0	115	Q169 L223 V279 W281 P299 G303	Q169-W301 HydrophobicContact CB-CH2 3.7Å; Q169-W301 HydrophobicContact CB-CZ3 4.47Å; Q169-W301 HydrophobicContact CG-CH2 3.68Å; Q169-W301 HydrophobicContact CG-CZ3 4.19Å; L223-W301 HydrophobicContact CD1-CB 3.53Å; L223-W301 HydrophobicContact CD1-CG 4.19Å; L223-W301 HydrophobicContact CD2-CB 4.18Å; L223-W301 HydrophobicContact CD2-CD2 4.14Å; L223-W301 HydrophobicContact CD2-CG 3.95Å; L223-W301 HydrophobicContact CG-CB 3.66Å; L223-W301 HydrophobicContact CG-CG 3.95Å; V279-W301 HydrophobicContact CG1-CZ2 4.23Å; W281-W301 AromaticContact CH2-CH2 3.92Å; W281-W301 HydrophobicContact CH2-CH2 3.92Å; W281-W301 HydrophobicContact CH2-CZ3 4.44Å; W281-W301 HydrophobicContact CZ3-CH2 4.03Å; P299-W301 HydrophobicContact CB-CD2 4.36Å; P299-W301 HydrophobicContact CB-CZ2 4.04Å; P299-W301 HydrophobicContact CG-CD2 4.19Å; P299-W301 HydrophobicContact CG-CH2 3.87Å; P299-W301 HydrophobicContact CG-CZ2 3.33Å; P299-W301 PolarHBondContact O-N 3.33Å; P299-W301 VanDerWaalsContact O-N 3.08Å; W301-G303 PolarHBondContact O-N 3.02Å
302	V	94.6	Very high	95.1	Very high	48 Å²	48	35 Å²	35	29%	0.291	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-70.5	-25.4	171.1	174.1	0	0	0	0	110.9	P242 W281 A298 P299 S300 D304	P242-V302 HydrophobicContact CG-CG1 4.33Å; P242-V302 HydrophobicContact CG-CG2 4.18Å; W281-V302 HydrophobicContact CH2-CG2 3.74Å; W281-V302 HydrophobicContact CZ2-CG1 4.34Å; W281-V302 HydrophobicContact CZ2-CG2 3.56Å; A298-V302 HydrophobicContact CB-CB 4.27Å; A298-V302 HydrophobicContact CB-CG1 4.33Å; A298-V302 HydrophobicContact CB-CG2 4.49Å; P299-V302 HydrophobicContact CG-CG2 3.8Å; P299-V302 WeakPolarHBondContact O-CB 3.47Å; P299-V302 PolarHBondContact O-N 2.97Å; S300-V302 PolarHBondContact O-N 2.9Å; V302-D304 VanDerWaalsContact C-N 3.28Å; V302-D304 HydrophobicContact CG1-CB 4.27Å; V302-D304 PolarHBondContact O-N 3.22Å
303	G	93.5	Very high	94.9	Very high	61 Å²	61	34.7 Å²	34.7	63%	0.629	22%	0.217	S	C	*	.			trans	68	25.7	-176.6	0	0	0	0	0	113.5	S300 W301 P305	S300-G303 PolarHBondContact O-N 2.76Å; S300-G303 VanDerWaalsContact O-N 3.11Å; W301-G303 PolarHBondContact O-N 3.02Å; G303-P305 WeakPolarHBondContact O-CD 3.49Å
304	D	96.2	Very high	94.8	Very high	42 Å²	42	32.8 Å²	32.8	23%	0.225	20%	0.203	C	C	.	.			trans	-69	115.2	173.8	-176.8	-10.1	0	0	0	109.7	S296 A298 V302 N306 S307	S296-D304 WeakPolarHBondContact CB-OD2 3.18Å; S296-D304 PolarHBondContact OG-OD2 3.39Å; A298-D304 HydrophobicContact CB-CB 3.94Å; V302-D304 VanDerWaalsContact C-N 3.28Å; V302-D304 HydrophobicContact CG1-CB 4.27Å; V302-D304 PolarHBondContact O-N 3.22Å; D304-N306 PolarHBondContact O-N 3.42Å; D304-N306 VanDerWaalsContact O-N 3.12Å; D304-N306 WeakPolarHBondContact OD1-CB 3.44Å; D304-N306 PolarHBondContact OD1-N 3.21Å; D304-N306 PolarHBondContact OD1-ND2 3.41Å; D304-S307 WeakPolarHBondContact O-CB 3.27Å; D304-S307 PolarHBondContact O-N 3.05Å; D304-S307 VanDerWaalsContact O-N 3.08Å
305	P	95.9	Very high	94.8	Very high	120 Å²	120	31.3 Å²	31.3	78%	0.779	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.5	-178.1	28.8	-36.7	0	0	0	113.5	G303	G303-P305 WeakPolarHBondContact O-CD 3.49Å
306	N	96.2	Very high	94.8	Very high	45 Å²	45	31.4 Å²	31.4	24%	0.241	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.9	178	-54	-68	0	0	0	113.1	K33 P293 P294 D304	K33-N306 PolarHBondContact NZ-O 2.89Å; K33-N306 VanDerWaalsContact NZ-O 3.16Å; P293-N306 VanDerWaalsContact CB-OD1 3.28Å; P293-N306 WeakPolarHBondContact CB-OD1 3.46Å; P294-N306 HydrophobicContact CG-CB 4.33Å; P294-N306 WeakPolarHBondContact O-CB 3.4Å; D304-N306 PolarHBondContact O-N 3.42Å; D304-N306 VanDerWaalsContact O-N 3.12Å; D304-N306 WeakPolarHBondContact OD1-CB 3.44Å; D304-N306 PolarHBondContact OD1-N 3.21Å; D304-N306 PolarHBondContact OD1-ND2 3.41Å
307	S	95.8	Very high	94.8	Very high	38 Å²	38	31.4 Å²	31.4	27%	0.266	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-73.8	140.3	178.4	-174.1	0	0	0	0	111.3	S296 A298 D304	S296-S307 WeakPolarHBondContact O-CA 3.33Å; A298-S307 PolarHBondContact O-OG 3.25Å; D304-S307 WeakPolarHBondContact O-CB 3.27Å; D304-S307 PolarHBondContact O-N 3.05Å; D304-S307 VanDerWaalsContact O-N 3.08Å
308	A	93.6	Very high	94.8	Very high	30 Å²	30	32 Å²	32	25%	0.248	20%	0.196	C	C	.	.			trans	-134.2	146	171.5	0	0	0	0	0	109.3	D29 R310	D29-A308 HydrophobicContact CB-CB 4.11Å; A308-R310 PolarHBondContact O-NH1 3.24Å; A308-R310 VanDerWaalsContact O-NH1 3.11Å
309	W	91.6	Very high	94.7	Very high	56 Å²	56	32.8 Å²	32.8	21%	0.212	20%	0.2	C	C	.	.			trans	-67.1	133.6	175.7	-172.3	99.7	0	0	0	109.8	Q217 D311 Y556 Y599	Q217-W309 HydrophobicContact CG-CZ2 4.16Å; Q217-W309 VanDerWaalsContact NE2-CZ2 3.34Å; W309-D311 HydrophobicContact CH2-CB 3.77Å; W309-D311 HydrophobicContact CZ3-CB 3.86Å; W309-Y556 HydrophobicContact CB-CD2 4.44Å; W309-Y556 HydrophobicContact CB-CE2 3.83Å; W309-Y556 AromaticContact CD1-CE2 3.72Å; W309-Y556 AromaticContact CD2-CD2 3.23Å; W309-Y556 HydrophobicContact CD2-CD2 3.23Å; W309-Y556 AromaticContact CD2-CE2 3.52Å; W309-Y556 HydrophobicContact CD2-CE2 3.52Å; W309-Y556 AromaticContact CD2-CG 3.78Å; W309-Y556 HydrophobicContact CD2-CG 3.78Å; W309-Y556 AromaticContact CE2-CD2 3.48Å; W309-Y556 VanDerWaalsContact CE2-CD2 3.48Å; W309-Y556 AromaticContact CE2-CE2 3.96Å; W309-Y556 HydrophobicContact CE3-CD1 4.1Å; W309-Y556 AromaticContact CE3-CD2 3.47Å; W309-Y556 HydrophobicContact CE3-CD2 3.47Å; W309-Y556 VanDerWaalsContact CE3-CD2 3.47Å; W309-Y556 HydrophobicContact CE3-CE2 4.06Å; W309-Y556 AromaticContact CE3-CG 3.46Å; W309-Y556 HydrophobicContact CE3-CG 3.46Å; W309-Y556 VanDerWaalsContact CE3-CG 3.46Å; W309-Y556 AromaticContact CG-CD2 3.68Å; W309-Y556 HydrophobicContact CG-CD2 3.68Å; W309-Y556 AromaticContact CG-CE2 3.39Å; W309-Y556 HydrophobicContact CG-CE2 3.39Å; W309-Y556 HydrophobicContact CG-CG 4.46Å; W309-Y556 AromaticContact CG-CZ 3.99Å; W309-Y556 HydrophobicContact CH2-CD2 4.19Å; W309-Y556 HydrophobicContact CH2-CG 4.27Å; W309-Y556 AromaticContact CZ2-CD2 3.95Å; W309-Y556 HydrophobicContact CZ2-CD2 3.95Å; W309-Y556 HydrophobicContact CZ2-CG 4.49Å; W309-Y556 AromaticContact CZ3-CD2 3.96Å; W309-Y556 HydrophobicContact CZ3-CD2 3.96Å; W309-Y556 AromaticContact CZ3-CG 3.76Å; W309-Y556 HydrophobicContact CZ3-CG 3.76Å; W309-Y556 AromaticContact NE1-CD2 3.94Å; W309-Y599 HydrophobicContact CH2-CD1 4.03Å; W309-Y599 AromaticContact CH2-CE1 3.96Å; W309-Y599 HydrophobicContact CH2-CE1 3.96Å; W309-Y599 AromaticContact CZ2-CD1 3.93Å; W309-Y599 HydrophobicContact CZ2-CD1 3.93Å; W309-Y599 HydrophobicContact CZ2-CE1 4.1Å
310	R	92.3	Very high	94.5	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.019	20%	0.2	C	C	.	.			trans	-142.8	142.7	-177.2	-67.4	175.6	174.3	84.6	10.6	109.9	D27 D29 Q217 S296 A308 W313	D27-R310 IonicContact OD1-NE 3.69Å; D27-R310 IonicContact OD1-NH2 3.12Å; D27-R310 WeakPolarHBondContact OD2-CD 3.43Å; D27-R310 IonicContact OD2-CZ 3.53Å; D27-R310 IonicContact OD2-NE 2.82Å; D27-R310 PolarHBondContact OD2-NE 3.37Å; D27-R310 IonicContact OD2-NH2 2.62Å; D27-R310 PolarHBondContact OD2-NH2 3.28Å; D29-R310 IonicContact OD2-CZ 3.07Å; D29-R310 IonicContact OD2-NH2 3.68Å; D29-R310 PolarHBondContact OD2-NH2 3.38Å; Q217-R310 PolarHBondContact NE2-O 2.92Å; S296-R310 PolarHBondContact O-NH1 3.18Å; A308-R310 PolarHBondContact O-NH1 3.24Å; A308-R310 VanDerWaalsContact O-NH1 3.11Å; R310-W313 HydrophobicContact CB-CB 4.28Å
311	D	89.6	Confident	94.4	Very high	31 Å²	31	33.6 Å²	33.6	17%	0.166	19%	0.194	C	C	.	.	S	Bend	trans	-87.2	-48.2	175.7	-160.8	55.8	0	0	0	110.9	D23 W309 W313 M314 Y599	D23-D311 HydrophobicContact CB-CB 4.47Å; W309-D311 HydrophobicContact CH2-CB 3.77Å; W309-D311 HydrophobicContact CZ3-CB 3.86Å; D311-W313 VanDerWaalsContact C-N 3.3Å; D311-W313 PolarHBondContact O-N 2.74Å; D311-M314 WeakPolarHBondContact O-CE 3.17Å; D311-M314 VanDerWaalsContact O-CG 3.29Å; D311-M314 WeakPolarHBondContact O-CG 3.22Å; D311-M314 WeakPolarHBondContact OD1-CE 3.36Å; D311-Y599 WeakPolarHBondContact OD1-CE1 3.42Å; D311-Y599 PolarHBondContact OD1-OH 2.81Å; D311-Y599 VanDerWaalsContact OD1-OH 3.11Å
312	H	91.2	Very high	94.3	Very high	30 Å²	30	34.2 Å²	34.2	14%	0.139	20%	0.203	C	C	.	.	S	Bend	trans	-60.4	-29	174.3	54.5	-80.1	0	0	0	115.5	D23 M24 D27	D23-H312 VanDerWaalsContact OD2-CB 3.24Å; D23-H312 WeakPolarHBondContact OD2-CB 3.42Å; D23-H312 IonicContact OD2-CE1 3.36Å; D23-H312 IonicContact OD2-CG 3.44Å; D23-H312 VanDerWaalsContact OD2-CG 3.32Å; D23-H312 PolarHBondContact OD2-N 3.33Å; D23-H312 IonicContact OD2-ND1 2.8Å; D23-H312 PolarHBondContact OD2-ND1 3.43Å; M24-H312 HydrophobicContact CE-CB 3.6Å; M24-H312 HydrophobicContact CG-CB 3.77Å; M24-H312 VanDerWaalsContact CG-CG 3.43Å; D27-H312 IonicContact OD2-CE1 2.65Å; D27-H312 IonicContact OD2-NE2 2.63Å; D27-H312 PolarHBondContact OD2-NE2 2.73Å
313	W	94.3	Very high	94.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.008	21%	0.205	C	C	.	.	S	Bend	trans	-126.2	88.4	179.4	-62.8	-27.6	0	0	0	111.7	R30 E130 F132 W282 L284 I295 V297 R310 D311	R30-W313 VanDerWaalsContact CD-CZ3 3.4Å; R30-W313 HydrophobicContact CG-CZ3 4.33Å; E130-W313 HydrophobicContact CG-CH2 4.45Å; E130-W313 WeakPolarHBondContact OE1-CZ2 3.26Å; F132-W313 HydrophobicContact CB-CZ2 3.92Å; F132-W313 PolarHBondContact O-NE1 3.39Å; W282-W313 AromaticContact CH2-CD2 3.5Å; W282-W313 HydrophobicContact CH2-CD2 3.5Å; W282-W313 AromaticContact CH2-CE2 3.79Å; W282-W313 AromaticContact CH2-CE3 3.46Å; W282-W313 HydrophobicContact CH2-CE3 3.46Å; W282-W313 VanDerWaalsContact CH2-CE3 3.46Å; W282-W313 HydrophobicContact CH2-CG 4.09Å; W282-W313 AromaticContact CH2-CH2 3.95Å; W282-W313 HydrophobicContact CH2-CH2 3.95Å; W282-W313 HydrophobicContact CH2-CZ2 4.02Å; W282-W313 AromaticContact CH2-CZ3 3.7Å; W282-W313 HydrophobicContact CH2-CZ3 3.7Å; W282-W313 HydrophobicContact CZ2-CB 4.38Å; W282-W313 AromaticContact CZ2-CD2 3.78Å; W282-W313 HydrophobicContact CZ2-CD2 3.78Å; W282-W313 HydrophobicContact CZ2-CE3 4.18Å; W282-W313 AromaticContact CZ2-CG 3.87Å; W282-W313 HydrophobicContact CZ2-CG 3.87Å; W282-W313 HydrophobicContact CZ3-CE3 4.26Å; W282-W313 HydrophobicContact CZ3-CZ3 4.31Å; L284-W313 HydrophobicContact CD1-CH2 4.43Å; I295-W313 HydrophobicContact CG2-CZ3 4.08Å; V297-W313 HydrophobicContact CB-CB 4.5Å; V297-W313 HydrophobicContact CG1-CB 3.82Å; V297-W313 HydrophobicContact CG1-CE3 4.07Å; R310-W313 HydrophobicContact CB-CB 4.28Å; D311-W313 VanDerWaalsContact C-N 3.3Å; D311-W313 PolarHBondContact O-N 2.74Å
314	M	95.1	Very high	94.2	Very high	19 Å²	19	33.1 Å²	33.1	9%	0.094	19%	0.185	C	C	.	.			trans	-85.4	-177	176.9	-54.5	-162.1	-174.3	0	0	111.2	T134 Q217 D311	T134-M314 HydrophobicContact CG2-CB 4.45Å; T134-M314 WeakPolarHBondContact CG2-O 3.25Å; T134-M314 PolarHBondContact OG1-N 2.93Å; T134-M314 VanDerWaalsContact OG1-N 3.16Å; Q217-M314 HydrophobicContact CG-SD 4.11Å; D311-M314 WeakPolarHBondContact O-CE 3.17Å; D311-M314 VanDerWaalsContact O-CG 3.29Å; D311-M314 WeakPolarHBondContact O-CG 3.22Å; D311-M314 WeakPolarHBondContact OD1-CE 3.36Å
315	Q	97.8	Very high	94.2	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.4	168	-66.1	81	58.6	0	0	109.5	D215 I216 V218 S219 V279 W281 V297 P299	D215-Q315 WeakPolarHBondContact CA-O 3.44Å; I216-Q315 PolarHBondContact N-O 2.87Å; I216-Q315 VanDerWaalsContact N-O 3.14Å; I216-Q315 PolarHBondContact O-N 3.46Å; V218-Q315 HydrophobicContact CB-CB 3.91Å; V218-Q315 HydrophobicContact CB-CG 4.23Å; V218-Q315 HydrophobicContact CG2-CB 3.71Å; V218-Q315 VanDerWaalsContact N-OE1 3.11Å; S219-Q315 PolarHBondContact OG-OE1 3.41Å; V279-Q315 HydrophobicContact CG1-CB 4.3Å; W281-Q315 HydrophobicContact CB-CG 4.41Å; V297-Q315 PolarHBondContact O-NE2 3.05Å; P299-Q315 HydrophobicContact CB-CG 4.01Å; P299-Q315 HydrophobicContact CG-CG 4.17Å
316	A	97.8	Very high	94.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.6	177.7	0	0	0	0	0	110.6	T134 T213 V280 Y318	T134-A316 HydrophobicContact CG2-CB 4Å; T213-A316 WeakPolarHBondContact OG1-CB 3.38Å; V280-A316 HydrophobicContact CB-CB 4.26Å; V280-A316 PolarHBondContact N-O 3.41Å; V280-A316 PolarHBondContact O-N 3.21Å; A316-Y318 HydrophobicContact CB-CD2 4.44Å; A316-Y318 HydrophobicContact CB-CE2 3.72Å
317	V	98.1	Very high	94.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.4	172	-177.9	0	0	0	0	110.3	L176 F214 I216 V218 A277 F278 F319	L176-V317 HydrophobicContact CD1-CG1 4.12Å; L176-V317 HydrophobicContact CD1-CG2 4.43Å; L176-V317 HydrophobicContact CD2-CG1 4.31Å; L176-V317 HydrophobicContact CD2-CG2 4.24Å; F214-V317 HydrophobicContact CB-CB 4.12Å; F214-V317 HydrophobicContact CD1-CB 4.12Å; F214-V317 HydrophobicContact CD1-CG1 4.36Å; F214-V317 PolarHBondContact N-O 3.25Å; F214-V317 VanDerWaalsContact O-CB 3.29Å; F214-V317 WeakPolarHBondContact O-CB 3.41Å; F214-V317 PolarHBondContact O-N 3.09Å; I216-V317 HydrophobicContact CD1-CG2 4.01Å; I216-V317 HydrophobicContact CG1-CG2 3.95Å; V218-V317 HydrophobicContact CG2-CG2 3.71Å; A277-V317 HydrophobicContact CB-CG1 3.85Å; F278-V317 WeakPolarHBondContact O-CA 3.35Å; V317-F319 HydrophobicContact CG1-CE1 4.14Å; V317-F319 HydrophobicContact CG1-CE2 4.21Å; V317-F319 HydrophobicContact CG1-CZ 3.84Å
318	Y	97	Very high	94.3	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.7	171.1	-60.9	-91.1	0	0	0	110.3	E135 A277 F278 V280 A316 M343 F345	E135-Y318 VanDerWaalsContact CD-OH 3.32Å; E135-Y318 WeakPolarHBondContact CG-OH 3.42Å; E135-Y318 PolarHBondContact OE1-OH 3.11Å; A277-Y318 CarbonylContact C-O 3.59Å; A277-Y318 WeakPolarHBondContact CA-O 3.4Å; F278-Y318 PolarHBondContact N-O 2.8Å; F278-Y318 PolarHBondContact O-N 3.45Å; V280-Y318 HydrophobicContact CB-CD2 4.17Å; V280-Y318 HydrophobicContact CB-CE2 4.05Å; V280-Y318 HydrophobicContact CG1-CE2 4.38Å; V280-Y318 HydrophobicContact CG2-CD2 3.75Å; V280-Y318 HydrophobicContact CG2-CE2 4.06Å; A316-Y318 HydrophobicContact CB-CD2 4.44Å; A316-Y318 HydrophobicContact CB-CE2 3.72Å; Y318-M343 WeakPolarHBondContact CE1-O 3.41Å; Y318-F345 HydrophobicContact CD1-CD2 4.06Å; Y318-F345 AromaticContact CD2-CD2 3.49Å; Y318-F345 HydrophobicContact CD2-CD2 3.49Å; Y318-F345 VanDerWaalsContact CD2-CD2 3.49Å; Y318-F345 AromaticContact CD2-CE2 3.61Å; Y318-F345 HydrophobicContact CD2-CE2 3.61Å; Y318-F345 HydrophobicContact CE1-CD2 4.42Å; Y318-F345 AromaticContact CE2-CD2 3.87Å; Y318-F345 HydrophobicContact CE2-CD2 3.87Å; Y318-F345 AromaticContact CE2-CE2 3.54Å; Y318-F345 HydrophobicContact CE2-CE2 3.54Å; Y318-F345 AromaticContact CG-CD2 3.57Å; Y318-F345 HydrophobicContact CG-CD2 3.57Å; Y318-F345 HydrophobicContact CG-CE2 4.14Å
319	F	95.9	Very high	94.4	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.079	20%	0.204	C	C	.	.			trans	-117.1	131.9	-178.7	-60.6	-80.4	0	0	0	109.6	L176 W177 H180 F214 A277 V317 R383	L176-F319 HydrophobicContact CB-CE1 4.16Å; L176-F319 WeakPolarHBondContact O-CE1 3.34Å; L176-F319 WeakPolarHBondContact O-CZ 3.44Å; W177-F319 HydrophobicContact CE3-CD1 4.05Å; W177-F319 HydrophobicContact CZ3-CB 4.44Å; W177-F319 HydrophobicContact CZ3-CD1 4.24Å; H180-F319 HydrophobicContact CB-CB 4.48Å; H180-F319 HydrophobicContact CB-CD1 3.56Å; H180-F319 HydrophobicContact CB-CD2 3.97Å; H180-F319 HydrophobicContact CB-CE1 3.65Å; H180-F319 HydrophobicContact CB-CE2 4.05Å; H180-F319 HydrophobicContact CB-CG 3.72Å; H180-F319 HydrophobicContact CB-CZ 3.88Å; H180-F319 AromaticContact CD2-CG 3.88Å; H180-F319 AromaticContact CE1-CG 3.99Å; H180-F319 AromaticContact CG-CD1 3.76Å; H180-F319 AromaticContact CG-CD2 3.85Å; H180-F319 AromaticContact CG-CG 3.48Å; H180-F319 VanDerWaalsContact CG-CG 3.48Å; H180-F319 AromaticContact ND1-CD2 3.62Å; H180-F319 AromaticContact ND1-CG 3.6Å; F214-F319 HydrophobicContact CB-CE2 4.06Å; F214-F319 HydrophobicContact CD1-CE2 4.13Å; F214-F319 AromaticContact CD1-CZ 3.88Å; F214-F319 HydrophobicContact CD1-CZ 3.88Å; A277-F319 HydrophobicContact CB-CD1 4.07Å; A277-F319 HydrophobicContact CB-CE1 4.07Å; V317-F319 HydrophobicContact CG1-CE1 4.14Å; V317-F319 HydrophobicContact CG1-CE2 4.21Å; V317-F319 HydrophobicContact CG1-CZ 3.84Å; F319-R383 VanDerWaalsContact CE2-NH1 3.32Å
320	P	93.8	Very high	94.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.217	C	C	.	.			trans	-65.7	156.9	167.2	31.2	-34.2	0	0	0	109.8	H276 F278 T322 D346 I347	H276-P320 VanDerWaalsContact O-CD 3.32Å; H276-P320 WeakPolarHBondContact O-CD 3.13Å; F278-P320 HydrophobicContact CE2-CB 3.92Å; F278-P320 HydrophobicContact CE2-CG 4.38Å; F278-P320 HydrophobicContact CZ-CB 4.18Å; P320-T322 WeakPolarHBondContact CB-O 3.42Å; P320-T322 WeakPolarHBondContact CG-O 3.41Å; P320-T322 PolarHBondContact O-N 2.96Å; P320-D346 WeakPolarHBondContact CA-OD1 3.5Å; P320-I347 HydrophobicContact CB-CG1 4.29Å
321	K	90.3	Very high	94.7	Very high	89 Å²	89	47.2 Å²	47.2	39%	0.387	24%	0.237	S	C	.	.	S	Bend	trans	-57.6	-38.2	-179.4	-179.2	176.7	-179.2	176	0	112.3	R181 S206 D346	R181-K321 PolarHBondContact NH2-O 3.5Å; S206-K321 WeakPolarHBondContact O-CE 3.24Å; K321-D346 PolarHBondContact N-OD1 3.26Å
322	T	89.4	Confident	94.9	Very high	63 Å²	63	46 Å²	46	39%	0.387	23%	0.23	S	C	.	.	S	Bend	trans	-131.2	150.7	174.5	48.2	0	0	0	0	109.6	P320 H324	P320-T322 WeakPolarHBondContact CB-O 3.42Å; P320-T322 WeakPolarHBondContact CG-O 3.41Å; P320-T322 PolarHBondContact O-N 2.96Å; T322-H324 PolarHBondContact O-CD2 3.31Å; T322-H324 PolarHBondContact O-N 3.2Å; T322-H324 PolarHBondContact O-NE2 3.08Å; T322-H324 PolarHBondContact OG1-CE1 3.01Å; T322-H324 PolarHBondContact OG1-NE2 3.5Å
323	A	92.3	Very high	95	Very high	40 Å²	40	46 Å²	46	33%	0.331	23%	0.23	S	C	.	.			trans	-70.2	129	169.9	0	0	0	0	0	109.5	W177 T274	W177-A323 HydrophobicContact CH2-CB 4.17Å; W177-A323 HydrophobicContact CZ2-CB 3.89Å; T274-A323 HydrophobicContact CG2-CB 3.72Å
324	H	93.5	Very high	95.1	Very high	46 Å²	46	45.9 Å²	45.9	21%	0.213	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.8	179.7	-67.4	-92.9	0	0	0	110.4	T274 A275 T322 L326 I347	T274-H324 CarbonylContact C-O 3.57Å; T274-H324 WeakPolarHBondContact CA-O 3.42Å; A275-H324 PolarHBondContact N-O 3.21Å; A275-H324 PolarHBondContact O-N 2.58Å; T322-H324 PolarHBondContact O-CD2 3.31Å; T322-H324 PolarHBondContact O-N 3.2Å; T322-H324 PolarHBondContact O-NE2 3.08Å; T322-H324 PolarHBondContact OG1-CE1 3.01Å; T322-H324 PolarHBondContact OG1-NE2 3.5Å; H324-L326 HydrophobicContact CB-CD2 4.26Å; H324-L326 PolarHBondContact O-N 2.92Å; H324-I347 HydrophobicContact CB-CD1 4.02Å
325	Y	96.1	Very high	95.1	Very high	152 Å²	152	46.3 Å²	46.3	60%	0.596	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	119.2	168.1	-172.1	-96.3	0	0	0	109.4	I327	Y325-I327 HydrophobicContact CD1-CG1 4.19Å; Y325-I327 HydrophobicContact CE1-CG1 3.99Å
326	L	96	Very high	95	Very high	14 Å²	14	46 Å²	46	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.7	-179.5	-57.4	179.4	0	0	0	109.5	V170 L238 T269 S272 G273 A275 H324 F332	V170-L326 HydrophobicContact CG1-CD1 4.27Å; L238-L326 HydrophobicContact CD1-CD1 4.09Å; T269-L326 HydrophobicContact CG2-CB 3.78Å; S272-L326 VanDerWaalsContact CA-O 3.24Å; S272-L326 WeakPolarHBondContact CA-O 3.5Å; G273-L326 PolarHBondContact N-O 3.3Å; G273-L326 PolarHBondContact O-N 3.08Å; A275-L326 HydrophobicContact CB-CD1 3.82Å; A275-L326 HydrophobicContact CB-CG 4.18Å; H324-L326 HydrophobicContact CB-CD2 4.26Å; H324-L326 PolarHBondContact O-N 2.92Å; L326-F332 HydrophobicContact CD1-CD1 4.03Å; L326-F332 HydrophobicContact CD1-CD2 4.29Å; L326-F332 HydrophobicContact CD1-CE1 3.58Å; L326-F332 HydrophobicContact CD1-CE2 3.84Å; L326-F332 HydrophobicContact CD1-CG 4.37Å; L326-F332 HydrophobicContact CD1-CZ 3.45Å; L326-F332 VanDerWaalsContact CD1-CZ 3.45Å; L326-F332 HydrophobicContact CD2-CB 4.29Å; L326-F332 HydrophobicContact CD2-CD1 4.11Å; L326-F332 HydrophobicContact CD2-CD2 4.22Å; L326-F332 HydrophobicContact CD2-CE1 4.5Å; L326-F332 HydrophobicContact CD2-CG 3.95Å
327	I	96.6	Very high	94.9	Very high	77 Å²	77	46 Å²	46	40%	0.395	23%	0.229	S	C	.	.			trans	-102.2	133.3	-179	-60.2	171.4	0	0	0	108.8	T269 Y325 N329 E330	T269-I327 WeakPolarHBondContact CB-O 3.48Å; Y325-I327 HydrophobicContact CD1-CG1 4.19Å; Y325-I327 HydrophobicContact CE1-CG1 3.99Å; I327-N329 PolarHBondContact O-N 3.36Å; I327-E330 HydrophobicContact CB-CB 4.46Å; I327-E330 HydrophobicContact CB-CG 3.94Å; I327-E330 HydrophobicContact CG2-CG 4.11Å; I327-E330 WeakPolarHBondContact O-CB 3.41Å; I327-E330 PolarHBondContact O-N 3.2Å
328	K	97.2	Very high	94.8	Very high	102 Å²	102	46 Å²	46	44%	0.443	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	134.8	176.8	176.7	165.5	-174.2	167.4	0	112.2	F270 S272 E330	F270-K328 WeakPolarHBondContact O-CD 3.37Å; F270-K328 VanDerWaalsContact O-CE 3.3Å; F270-K328 WeakPolarHBondContact O-CE 3.42Å; F270-K328 WeakPolarHBondContact O-CG 3.46Å; S272-K328 WeakPolarHBondContact OG-CB 3.13Å; S272-K328 PolarHBondContact OG-N 3.44Å; K328-E330 PolarHBondContact O-N 2.87Å
329	N	96.5	Very high	94.7	Very high	121 Å²	121	47.8 Å²	47.8	65%	0.647	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	0.4	-176.8	-51.6	-39.5	0	0	0	115.7	T269 I327	T269-N329 WeakPolarHBondContact O-CA 3.14Å; T269-N329 PolarHBondContact O-N 3.28Å; I327-N329 PolarHBondContact O-N 3.36Å
330	E	95.4	Very high	94.6	Very high	105 Å²	105	48 Å²	48	49%	0.491	24%	0.243	S	C	.	.			trans	-83.2	142.1	171.4	-62.6	-170.6	174.2	0	0	111.1	T269 I327 K328	T269-E330 WeakPolarHBondContact CB-O 3.47Å; T269-E330 PolarHBondContact N-O 2.49Å; T269-E330 PolarHBondContact OG1-O 3.2Å; T269-E330 VanDerWaalsContact OG1-O 3.06Å; I327-E330 HydrophobicContact CB-CB 4.46Å; I327-E330 HydrophobicContact CB-CG 3.94Å; I327-E330 HydrophobicContact CG2-CG 4.11Å; I327-E330 WeakPolarHBondContact O-CB 3.41Å; I327-E330 PolarHBondContact O-N 3.2Å; K328-E330 PolarHBondContact O-N 2.87Å
331	S	93.8	Very high	94.6	Very high	60 Å²	60	51 Å²	51	42%	0.42	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.6	172.5	-71	0	0	0	0	111.3	E266 C267	E266-S331 PolarHBondContact OE1-OG 2.92Å; C267-S331 CarbonylContact O-C 3.58Å; C267-S331 WeakPolarHBondContact O-CA 3.24Å
332	F	94.5	Very high	94.8	Very high	5 Å²	5	48 Å²	48	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.9	172.3	66	-78	0	0	0	109.4	V170 L239 C267 T269 L326 V334 I347 F353	V170-F332 HydrophobicContact CB-CZ 4.46Å; V170-F332 HydrophobicContact CG1-CZ 4.45Å; V170-F332 HydrophobicContact CG2-CE2 4.1Å; V170-F332 HydrophobicContact CG2-CZ 3.96Å; L239-F332 HydrophobicContact CD2-CE1 3.98Å; L239-F332 HydrophobicContact CD2-CZ 3.8Å; C267-F332 HydrophobicContact CB-CD1 4.09Å; C267-F332 HydrophobicContact CB-CD2 4.3Å; C267-F332 HydrophobicContact CB-CE1 3.61Å; C267-F332 HydrophobicContact CB-CE2 3.88Å; C267-F332 HydrophobicContact CB-CG 4.42Å; C267-F332 HydrophobicContact CB-CZ 3.51Å; C267-F332 PolarHBondContact N-O 3.43Å; C267-F332 PolarHBondContact O-N 3.44Å; T269-F332 WeakPolarHBondContact OG1-CD1 3.33Å; T269-F332 WeakPolarHBondContact OG1-CE1 3.18Å; L326-F332 HydrophobicContact CD1-CD1 4.03Å; L326-F332 HydrophobicContact CD1-CD2 4.29Å; L326-F332 HydrophobicContact CD1-CE1 3.58Å; L326-F332 HydrophobicContact CD1-CE2 3.84Å; L326-F332 HydrophobicContact CD1-CG 4.37Å; L326-F332 HydrophobicContact CD1-CZ 3.45Å; L326-F332 VanDerWaalsContact CD1-CZ 3.45Å; L326-F332 HydrophobicContact CD2-CB 4.29Å; L326-F332 HydrophobicContact CD2-CD1 4.11Å; L326-F332 HydrophobicContact CD2-CD2 4.22Å; L326-F332 HydrophobicContact CD2-CE1 4.5Å; L326-F332 HydrophobicContact CD2-CG 3.95Å; F332-V334 HydrophobicContact CD2-CG2 4.04Å; F332-V334 HydrophobicContact CE2-CG2 3.57Å; F332-I347 HydrophobicContact CD2-CG2 4.25Å; F332-I347 HydrophobicContact CE2-CD1 4.4Å; F332-F353 HydrophobicContact CB-CE1 4.18Å; F332-F353 HydrophobicContact CB-CE2 4.39Å; F332-F353 HydrophobicContact CB-CZ 3.72Å
333	M	94.7	Very high	95.1	Very high	30 Å²	30	45.1 Å²	45.1	15%	0.148	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.9	-179.6	-58.4	-64.4	-63.2	0	0	110.7	D264 L265 E266 L348 F353	D264-M333 HydrophobicContact CB-CE 3.59Å; L265-M333 WeakPolarHBondContact O-CA 3.49Å; E266-M333 WeakPolarHBondContact CA-SD 3.13Å; E266-M333 HydrophobicContact CB-CE 4.24Å; E266-M333 HydrophobicContact CB-SD 3.57Å; E266-M333 VanDerWaalsContact CB-SD 3.57Å; E266-M333 HydrophobicContact CG-SD 3.91Å; M333-L348 HydrophobicContact CB-CB 4.26Å; M333-L348 HydrophobicContact CB-CD1 3.93Å; M333-L348 HydrophobicContact CB-CG 4.28Å; M333-L348 PolarHBondContact O-N 2.63Å; M333-F353 HydrophobicContact CB-CD1 3.62Å; M333-F353 HydrophobicContact CB-CE1 3.6Å; M333-F353 HydrophobicContact CG-CD1 3.43Å; M333-F353 VanDerWaalsContact CG-CD1 3.43Å; M333-F353 HydrophobicContact CG-CE1 3.91Å; M333-F353 HydrophobicContact CG-CG 4.47Å
334	V	95.7	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.1	168.2	178.4	0	0	0	0	108.3	L168 V170 L265 F278 F332 F345 D346	L168-V334 HydrophobicContact CD1-CG1 4.25Å; V170-V334 HydrophobicContact CG2-CG2 4.33Å; L265-V334 HydrophobicContact CB-CB 4.38Å; L265-V334 PolarHBondContact N-O 3.3Å; L265-V334 PolarHBondContact O-N 2.86Å; F278-V334 HydrophobicContact CE1-CG1 3.88Å; F278-V334 HydrophobicContact CE1-CG2 4Å; F278-V334 HydrophobicContact CZ-CG1 4.04Å; F332-V334 HydrophobicContact CD2-CG2 4.04Å; F332-V334 HydrophobicContact CE2-CG2 3.57Å; V334-F345 HydrophobicContact CG1-CD1 4.44Å; V334-D346 CarbonylContact C-O 3.57Å; V334-D346 WeakPolarHBondContact CA-O 3.36Å
335	R	94.5	Very high	95.2	Very high	29 Å²	29	42.8 Å²	42.8	11%	0.109	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.4	172.7	175.5	158.5	-68.2	164.9	5.6	109.9	D264 L337 F345 D346 L348 E367	D264-R335 WeakPolarHBondContact OD1-CA 3.14Å; D264-R335 WeakPolarHBondContact OD1-CB 3.4Å; D264-R335 WeakPolarHBondContact OD1-CG 3.44Å; D264-R335 IonicContact OD1-CZ 3.56Å; D264-R335 IonicContact OD1-NE 3.99Å; D264-R335 PolarHBondContact OD1-NE 2.78Å; D264-R335 IonicContact OD1-NH2 2.66Å; D264-R335 IonicContact OD2-CZ 3.77Å; D264-R335 IonicContact OD2-NE 3.94Å; D264-R335 IonicContact OD2-NH2 2.73Å; D264-R335 PolarHBondContact OD2-NH2 3.24Å; R335-L337 HydrophobicContact CG-CD2 4.2Å; R335-L337 HydrophobicContact CG-CG 4.08Å; R335-F345 VanDerWaalsContact O-CA 3.26Å; R335-F345 WeakPolarHBondContact O-CA 3.35Å; R335-D346 PolarHBondContact N-O 2.89Å; R335-D346 PolarHBondContact O-N 2.89Å; R335-L348 HydrophobicContact CB-CD2 3.86Å; R335-L348 HydrophobicContact CB-CG 4.15Å; R335-E367 IonicContact NH1-OE2 3.85Å; R335-E367 PolarHBondContact NH1-OE2 2.92Å
336	Y	95.6	Very high	95.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	171.3	164.1	-103.1	0	0	0	109.7	V245 K246 F248 A262 L263 H338 M343 R344 F345	V245-Y336 HydrophobicContact CG1-CD1 4Å; V245-Y336 HydrophobicContact CG1-CD2 3.56Å; V245-Y336 HydrophobicContact CG1-CE1 4.33Å; V245-Y336 HydrophobicContact CG1-CE2 3.9Å; V245-Y336 HydrophobicContact CG1-CG 3.57Å; K246-Y336 HydrophobicContact CB-CD1 4.49Å; K246-Y336 HydrophobicContact CB-CE1 3.72Å; K246-Y336 HydrophobicContact CD-CE1 4.35Å; K246-Y336 HydrophobicContact CG-CE1 4.02Å; F248-Y336 WeakPolarHBondContact CZ-OH 3.41Å; A262-Y336 CarbonylContact C-O 3.49Å; A262-Y336 VanDerWaalsContact CA-O 3.31Å; A262-Y336 WeakPolarHBondContact CA-O 3.19Å; L263-Y336 HydrophobicContact CB-CD1 4.06Å; L263-Y336 HydrophobicContact CD1-CD1 4.01Å; L263-Y336 HydrophobicContact CD1-CE1 4.32Å; L263-Y336 HydrophobicContact CG-CD1 4.13Å; L263-Y336 PolarHBondContact N-O 2.87Å; L263-Y336 PolarHBondContact O-N 2.85Å; Y336-H338 AromaticContact CE1-CD2 3.55Å; Y336-H338 HydrophobicContact CE2-CB 4.42Å; Y336-H338 AromaticContact CZ-CD2 3.62Å; Y336-H338 WeakPolarHBondContact OH-CB 3.38Å; Y336-H338 PolarHBondContact OH-CD2 2.75Å; Y336-M343 HydrophobicContact CE2-CB 4.08Å; Y336-M343 HydrophobicContact CE2-CG 3.96Å; Y336-M343 HydrophobicContact CE2-SD 3.81Å; Y336-R344 WeakPolarHBondContact CA-O 3.48Å; Y336-F345 HydrophobicContact CD2-CD1 4.12Å; Y336-F345 AromaticContact CD2-CE1 3.44Å; Y336-F345 HydrophobicContact CD2-CE1 3.44Å; Y336-F345 VanDerWaalsContact CD2-CE1 3.44Å; Y336-F345 HydrophobicContact CD2-CE2 4.32Å; Y336-F345 AromaticContact CD2-CZ 3.55Å; Y336-F345 HydrophobicContact CD2-CZ 3.55Å; Y336-F345 HydrophobicContact CE2-CE1 4.22Å; Y336-F345 AromaticContact CE2-CZ 3.89Å; Y336-F345 HydrophobicContact CE2-CZ 3.89Å; Y336-F345 HydrophobicContact CG-CE1 4.27Å
337	L	95.5	Very high	95	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.9	175.5	-56.3	166.1	0	0	0	108.7	A262 R335 M343 R344 L362 V364 E367 M368 L371	A262-L337 HydrophobicContact CB-CD2 3.54Å; R335-L337 HydrophobicContact CG-CD2 4.2Å; R335-L337 HydrophobicContact CG-CG 4.08Å; L337-M343 CarbonylContact O-C 3.52Å; L337-M343 VanDerWaalsContact O-CA 3.32Å; L337-M343 WeakPolarHBondContact O-CA 3.26Å; L337-R344 HydrophobicContact CB-CB 4.27Å; L337-R344 HydrophobicContact CD1-CB 4.5Å; L337-R344 PolarHBondContact N-O 2.93Å; L337-R344 PolarHBondContact O-N 2.85Å; L337-L362 HydrophobicContact CD2-CD2 3.57Å; L337-V364 HydrophobicContact CB-CG1 4.43Å; L337-V364 HydrophobicContact CD2-CG1 4.47Å; L337-E367 HydrophobicContact CD1-CB 3.77Å; L337-E367 HydrophobicContact CD2-CB 4.42Å; L337-M368 HydrophobicContact CB-CG 4.02Å; L337-M368 HydrophobicContact CD1-CG 4.19Å; L337-L371 HydrophobicContact CD1-CD1 3.95Å
338	H	95.7	Very high	94.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.6	162.8	76.8	95.8	0	0	0	112.4	I137 F248 N260 D261 Y336 S342 M343 V364	I137-H338 HydrophobicContact CD1-CB 4.06Å; F248-H338 AromaticContact CE1-CE1 3.73Å; F248-H338 AromaticContact CE1-NE2 3.92Å; N260-H338 WeakPolarHBondContact CA-O 3.37Å; D261-H338 WeakPolarHBondContact CB-NE2 3.18Å; D261-H338 PolarHBondContact N-O 3.07Å; D261-H338 VanDerWaalsContact N-O 3.12Å; D261-H338 PolarHBondContact O-N 2.99Å; Y336-H338 AromaticContact CE1-CD2 3.55Å; Y336-H338 HydrophobicContact CE2-CB 4.42Å; Y336-H338 AromaticContact CZ-CD2 3.62Å; Y336-H338 WeakPolarHBondContact OH-CB 3.38Å; Y336-H338 PolarHBondContact OH-CD2 2.75Å; H338-S342 WeakPolarHBondContact CA-O 3.32Å; H338-S342 WeakPolarHBondContact CB-O 3.08Å; H338-M343 HydrophobicContact CB-CG 4.07Å; H338-V364 WeakPolarHBondContact O-CG1 3.43Å
339	D	94.9	Very high	93.6	Very high	51 Å²	51	31.3 Å²	31.3	27%	0.273	17%	0.171	S	C	.	.			trans	-103.8	-154.1	161.5	65.3	19.9	0	0	0	109.9	L259 L341 S342 M368	L259-D339 CarbonylContact O-C 3.48Å; L259-D339 VanDerWaalsContact O-CA 3.29Å; L259-D339 WeakPolarHBondContact O-CA 3.41Å; D339-L341 VanDerWaalsContact C-N 3.28Å; D339-L341 PolarHBondContact O-N 3.03Å; D339-L341 PolarHBondContact OD1-N 3.17Å; D339-S342 PolarHBondContact N-O 3.47Å; D339-S342 WeakPolarHBondContact OD1-CB 3.48Å; D339-S342 PolarHBondContact OD1-N 3.12Å; D339-M368 HydrophobicContact CB-CE 4.09Å; D339-M368 HydrophobicContact CB-SD 3.82Å; D339-M368 WeakPolarHBondContact OD2-CE 3.28Å
340	S	95	Very high	92.1	Very high	22 Å²	22	30.5 Å²	30.5	15%	0.154	17%	0.17	C	C	.	.	S	Bend	trans	-77.3	-12.2	-178.9	53.4	0	0	0	0	114	E143 L259	E143-S340 WeakPolarHBondContact OE1-CB 3.37Å; E143-S340 PolarHBondContact OE1-OG 3.32Å; L259-S340 PolarHBondContact O-N 3.16Å
341	L	94.2	Very high	90.2	Very high	64 Å²	64	30.6 Å²	30.6	34%	0.335	18%	0.18	S	C	.	.	S	Bend	trans	-137.2	-7.5	-170.1	-62.8	175.6	0	0	0	114.4	G138 D339	G138-L341 VanDerWaalsContact CA-O 3.26Å; G138-L341 WeakPolarHBondContact CA-O 3.35Å; D339-L341 VanDerWaalsContact C-N 3.28Å; D339-L341 PolarHBondContact O-N 3.03Å; D339-L341 PolarHBondContact OD1-N 3.17Å
342	S	94.2	Very high	88.5	Confident	25 Å²	25	31.3 Å²	31.3	18%	0.175	18%	0.179	C	C	.	.			trans	-152.1	144.7	-167.2	-89.8	0	0	0	0	112.3	H338 D339 R344	H338-S342 WeakPolarHBondContact CA-O 3.32Å; H338-S342 WeakPolarHBondContact CB-O 3.08Å; D339-S342 PolarHBondContact N-O 3.47Å; D339-S342 WeakPolarHBondContact OD1-CB 3.48Å; D339-S342 PolarHBondContact OD1-N 3.12Å; S342-R344 PolarHBondContact OG-NH2 3.11Å
343	M	95	Very high	86.6	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149.7	174	-58.8	-175.7	-172.4	0	0	111.7	E135 L136 I137 V166 F248 Y318 Y336 L337 H338 F345	E135-M343 WeakPolarHBondContact O-CE 3.34Å; L136-M343 HydrophobicContact CB-CE 4.3Å; L136-M343 HydrophobicContact CD2-CE 4.49Å; I137-M343 HydrophobicContact CD1-CE 3.86Å; I137-M343 HydrophobicContact CD1-CG 3.98Å; I137-M343 HydrophobicContact CG1-CE 3.95Å; I137-M343 HydrophobicContact CG1-CG 4.47Å; I137-M343 HydrophobicContact CG2-CE 4.1Å; V166-M343 HydrophobicContact CG1-SD 4.43Å; V166-M343 HydrophobicContact CG2-CE 3.92Å; V166-M343 HydrophobicContact CG2-SD 4.37Å; F248-M343 HydrophobicContact CE2-CE 3.87Å; F248-M343 HydrophobicContact CZ-CE 3.93Å; Y318-M343 WeakPolarHBondContact CE1-O 3.41Å; Y336-M343 HydrophobicContact CE2-CB 4.08Å; Y336-M343 HydrophobicContact CE2-CG 3.96Å; Y336-M343 HydrophobicContact CE2-SD 3.81Å; L337-M343 CarbonylContact O-C 3.52Å; L337-M343 VanDerWaalsContact O-CA 3.32Å; L337-M343 WeakPolarHBondContact O-CA 3.26Å; H338-M343 HydrophobicContact CB-CG 4.07Å; M343-F345 HydrophobicContact CB-CE2 3.88Å; M343-F345 HydrophobicContact CB-CZ 4.43Å
344	R	94.4	Very high	84.7	Confident	30 Å²	30	39.8 Å²	39.8	11%	0.113	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.7	172.7	-56	-69.2	176.1	-91.5	-9.6	110.8	P211 Y336 L337 S342 M368 L371	P211-R344 PolarHBondContact O-NH1 3.06Å; Y336-R344 WeakPolarHBondContact CA-O 3.48Å; L337-R344 HydrophobicContact CB-CB 4.27Å; L337-R344 HydrophobicContact CD1-CB 4.5Å; L337-R344 PolarHBondContact N-O 2.93Å; L337-R344 PolarHBondContact O-N 2.85Å; S342-R344 PolarHBondContact OG-NH2 3.11Å; R344-M368 HydrophobicContact CG-CE 3.99Å; R344-M368 HydrophobicContact CG-CG 4.14Å; R344-L371 HydrophobicContact CB-CD1 3.76Å; R344-L371 HydrophobicContact CG-CD1 4.34Å
345	F	94.8	Very high	82.9	Confident	7 Å²	7	42.6 Å²	42.6	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.2	-178.7	-60.5	-93.1	0	0	0	109.9	L168 V245 F278 V280 Y318 V334 R335 Y336 M343	L168-F345 HydrophobicContact CD1-CD1 3.31Å; L168-F345 HydrophobicContact CD1-CE1 3.5Å; L168-F345 VanDerWaalsContact CD1-CE1 3.5Å; L168-F345 HydrophobicContact CD1-CG 4.1Å; L168-F345 HydrophobicContact CD1-CZ 4.44Å; V245-F345 HydrophobicContact CG1-CE1 3.98Å; V245-F345 HydrophobicContact CG1-CZ 4.48Å; V245-F345 HydrophobicContact CG2-CE1 4.3Å; F278-F345 HydrophobicContact CD2-CB 3.48Å; F278-F345 VanDerWaalsContact CD2-CB 3.48Å; F278-F345 HydrophobicContact CD2-CG 4.43Å; F278-F345 HydrophobicContact CE2-CB 3.63Å; F278-F345 HydrophobicContact CG-CB 4.11Å; F278-F345 HydrophobicContact CZ-CB 4.37Å; V280-F345 HydrophobicContact CG1-CE2 4.29Å; V280-F345 HydrophobicContact CG1-CZ 3.98Å; V280-F345 HydrophobicContact CG2-CD2 4.3Å; V280-F345 HydrophobicContact CG2-CE1 4.26Å; V280-F345 HydrophobicContact CG2-CE2 3.84Å; V280-F345 HydrophobicContact CG2-CZ 3.81Å; Y318-F345 HydrophobicContact CD1-CD2 4.06Å; Y318-F345 AromaticContact CD2-CD2 3.49Å; Y318-F345 HydrophobicContact CD2-CD2 3.49Å; Y318-F345 VanDerWaalsContact CD2-CD2 3.49Å; Y318-F345 AromaticContact CD2-CE2 3.61Å; Y318-F345 HydrophobicContact CD2-CE2 3.61Å; Y318-F345 HydrophobicContact CE1-CD2 4.42Å; Y318-F345 AromaticContact CE2-CD2 3.87Å; Y318-F345 HydrophobicContact CE2-CD2 3.87Å; Y318-F345 AromaticContact CE2-CE2 3.54Å; Y318-F345 HydrophobicContact CE2-CE2 3.54Å; Y318-F345 AromaticContact CG-CD2 3.57Å; Y318-F345 HydrophobicContact CG-CD2 3.57Å; Y318-F345 HydrophobicContact CG-CE2 4.14Å; V334-F345 HydrophobicContact CG1-CD1 4.44Å; R335-F345 VanDerWaalsContact O-CA 3.26Å; R335-F345 WeakPolarHBondContact O-CA 3.35Å; Y336-F345 HydrophobicContact CD2-CD1 4.12Å; Y336-F345 AromaticContact CD2-CE1 3.44Å; Y336-F345 HydrophobicContact CD2-CE1 3.44Å; Y336-F345 VanDerWaalsContact CD2-CE1 3.44Å; Y336-F345 HydrophobicContact CD2-CE2 4.32Å; Y336-F345 AromaticContact CD2-CZ 3.55Å; Y336-F345 HydrophobicContact CD2-CZ 3.55Å; Y336-F345 HydrophobicContact CE2-CE1 4.22Å; Y336-F345 AromaticContact CE2-CZ 3.89Å; Y336-F345 HydrophobicContact CE2-CZ 3.89Å; Y336-F345 HydrophobicContact CG-CE1 4.27Å; M343-F345 HydrophobicContact CB-CE2 3.88Å; M343-F345 HydrophobicContact CB-CZ 4.43Å
346	D	94	Very high	81	Confident	28 Å²	28	51.1 Å²	51.1	15%	0.15	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.4	170.9	-158.5	14.5	0	0	0	111.2	P320 K321 V334 R335 L371	P320-D346 WeakPolarHBondContact CA-OD1 3.5Å; K321-D346 PolarHBondContact N-OD1 3.26Å; V334-D346 CarbonylContact C-O 3.57Å; V334-D346 WeakPolarHBondContact CA-O 3.36Å; R335-D346 PolarHBondContact N-O 2.89Å; R335-D346 PolarHBondContact O-N 2.89Å; D346-L371 HydrophobicContact CB-CD2 4.28Å
347	I	93.8	Very high	79.2	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.036	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.9	173.7	-58.2	-174.1	0	0	0	108.9	A275 F278 P320 H324 F332	A275-I347 HydrophobicContact CB-CD1 3.55Å; F278-I347 HydrophobicContact CE1-CD1 4.39Å; F278-I347 HydrophobicContact CE1-CG1 4.1Å; F278-I347 HydrophobicContact CZ-CD1 4.24Å; F278-I347 HydrophobicContact CZ-CG1 3.61Å; P320-I347 HydrophobicContact CB-CG1 4.29Å; H324-I347 HydrophobicContact CB-CD1 4.02Å; F332-I347 HydrophobicContact CD2-CG2 4.25Å; F332-I347 HydrophobicContact CE2-CD1 4.4Å
348	L	89.4	Confident	78	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.058	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-72.3	145	177.1	-59.3	-178	0	0	0	110.9	D264 M333 R335 N352 F353 P357	D264-L348 HydrophobicContact CB-CD1 4.49Å; M333-L348 HydrophobicContact CB-CB 4.26Å; M333-L348 HydrophobicContact CB-CD1 3.93Å; M333-L348 HydrophobicContact CB-CG 4.28Å; M333-L348 PolarHBondContact O-N 2.63Å; R335-L348 HydrophobicContact CB-CD2 3.86Å; R335-L348 HydrophobicContact CB-CG 4.15Å; L348-N352 HydrophobicContact CB-CB 4.28Å; L348-F353 HydrophobicContact CB-CD1 4.24Å; L348-F353 HydrophobicContact CB-CE1 3.92Å; L348-F353 WeakPolarHBondContact O-CE1 3.42Å; L348-F353 WeakPolarHBondContact O-CZ 3.3Å; L348-P357 HydrophobicContact CD1-CG 4.44Å
349	S	74.4	Confident	77.3	Confident	58 Å²	58	59.7 Å²	59.7	41%	0.406	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-76.7	155.2	175.8	59.2	0	0	0	0	111.9	P351 N352 F353	S349-P351 VanDerWaalsContact C-N 3.34Å; S349-P351 VanDerWaalsContact O-N 3.16Å; S349-N352 WeakPolarHBondContact O-CA 3.25Å; S349-N352 WeakPolarHBondContact O-CB 3.38Å; S349-N352 PolarHBondContact O-N 2.92Å; S349-F353 PolarHBondContact O-N 2.87Å
350	V	64.4	Low	76.3	Confident	104 Å²	104	62 Å²	62	63%	0.63	35%	0.353	S	S	*	.	H	α-helix	trans	-49.5	-39.2	-176.6	-178.5	0	0	0	0	115.6	N352 F353	V350-N352 PolarHBondContact O-N 3.48Å; V350-F353 VanDerWaalsContact CA-CD2 3.45Å; V350-F353 HydrophobicContact CB-CD2 4.16Å; V350-F353 HydrophobicContact CB-CE2 4.4Å; V350-F353 HydrophobicContact CG1-CD2 4.41Å; V350-F353 HydrophobicContact CG2-CD2 4.05Å; V350-F353 HydrophobicContact CG2-CE2 3.86Å; V350-F353 PolarHBondContact O-N 3.36Å
351	P	55.2	Low	75.5	Confident	107 Å²	107	65.7 Å²	65.7	70%	0.695	38%	0.379	S	S	*	.	H	α-helix	trans	-58.6	-29.3	174.6	-22.5	33.2	0	0	0	113.5	S349	S349-P351 VanDerWaalsContact C-N 3.34Å; S349-P351 VanDerWaalsContact O-N 3.16Å
352	N	58.8	Low	75.1	Confident	76 Å²	76	64.6 Å²	64.6	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-88.2	-12	-178	-67.8	-11.4	0	0	0	113.6	L348 S349 V350	L348-N352 HydrophobicContact CB-CB 4.28Å; S349-N352 WeakPolarHBondContact O-CA 3.25Å; S349-N352 WeakPolarHBondContact O-CB 3.38Å; S349-N352 PolarHBondContact O-N 2.92Å; V350-N352 PolarHBondContact O-N 3.48Å
353	F	55.6	Low	74.9	Confident	55 Å²	55	68.1 Å²	68.1	24%	0.241	39%	0.39	C	S	.	.	H	α-helix	trans	-70.4	-33.6	180	-70.3	-35.9	0	0	0	113.7	F332 M333 L348 S349 V350	F332-F353 HydrophobicContact CB-CE1 4.18Å; F332-F353 HydrophobicContact CB-CE2 4.39Å; F332-F353 HydrophobicContact CB-CZ 3.72Å; M333-F353 HydrophobicContact CB-CD1 3.62Å; M333-F353 HydrophobicContact CB-CE1 3.6Å; M333-F353 HydrophobicContact CG-CD1 3.43Å; M333-F353 VanDerWaalsContact CG-CD1 3.43Å; M333-F353 HydrophobicContact CG-CE1 3.91Å; M333-F353 HydrophobicContact CG-CG 4.47Å; L348-F353 HydrophobicContact CB-CD1 4.24Å; L348-F353 HydrophobicContact CB-CE1 3.92Å; L348-F353 WeakPolarHBondContact O-CE1 3.42Å; L348-F353 WeakPolarHBondContact O-CZ 3.3Å; S349-F353 PolarHBondContact O-N 2.87Å; V350-F353 VanDerWaalsContact CA-CD2 3.45Å; V350-F353 HydrophobicContact CB-CD2 4.16Å; V350-F353 HydrophobicContact CB-CE2 4.4Å; V350-F353 HydrophobicContact CG1-CD2 4.41Å; V350-F353 HydrophobicContact CG2-CD2 4.05Å; V350-F353 HydrophobicContact CG2-CE2 3.86Å; V350-F353 PolarHBondContact O-N 3.36Å
354	N	54.3	Low	74.6	Confident	157 Å²	157	68.5 Å²	68.5	84%	0.84	39%	0.393	S	S	*	.	S	Bend	trans	-82.4	-18.8	-173.5	-74.2	-28.8	0	0	0	113.9
355	A	56.9	Low	74.3	Confident	59 Å²	59	76.3 Å²	76.3	49%	0.488	42%	0.422	S	S	.	.	S	Bend	trans	-82.1	126.1	166.9	0	0	0	0	0	107	P357	A355-P357 WeakPolarHBondContact O-CD 2.76Å; A355-P357 WeakPolarHBondContact O-CG 3.13Å
356	K	55.4	Low	74	Confident	209 Å²	209	80 Å²	80	91%	0.909	44%	0.442	S	S	*	.			trans	-63.2	105.6	158.6	-81.7	-174.6	177	-178.2	0	105.8	D358	K356-D358 PolarHBondContact O-N 2.9Å; K356-D358 VanDerWaalsContact O-N 3.17Å
357	P	58.2	Low	73.8	Confident	45 Å²	45	81.5 Å²	81.5	29%	0.292	45%	0.448	S	S	.	.			trans	-72.7	120.4	-176	-13.8	33.7	0	0	0	106	D264 L348 A355 T359	D264-P357 WeakPolarHBondContact OD2-CB 3.21Å; D264-P357 WeakPolarHBondContact OD2-CG 3.5Å; L348-P357 HydrophobicContact CD1-CG 4.44Å; A355-P357 WeakPolarHBondContact O-CD 2.76Å; A355-P357 WeakPolarHBondContact O-CG 3.13Å; P357-T359 VanDerWaalsContact C-N 3.3Å; P357-T359 PolarHBondContact O-N 2.92Å
358	D	69.9	Low	73.6	Confident	104 Å²	104	82 Å²	82	56%	0.556	45%	0.451	S	S	*	.			trans	-75	90.4	170.9	-176.5	6.3	0	0	0	108.3	K356 S360 S361	K356-D358 PolarHBondContact O-N 2.9Å; K356-D358 VanDerWaalsContact O-N 3.17Å; D358-S360 PolarHBondContact O-N 2.95Å; D358-S360 VanDerWaalsContact O-N 3.13Å; D358-S360 WeakPolarHBondContact OD1-CB 3.45Å; D358-S360 PolarHBondContact OD1-N 3.01Å; D358-S360 VanDerWaalsContact OD1-N 3.07Å; D358-S360 PolarHBondContact OD1-OG 3.48Å; D358-S360 PolarHBondContact OD2-OG 3.02Å; D358-S360 VanDerWaalsContact OD2-OG 3.12Å; D358-S361 PolarHBondContact O-N 2.91Å; D358-S361 PolarHBondContact O-OG 3.29Å; D358-S361 VanDerWaalsContact O-OG 3.12Å
359	T	80.1	Confident	73.5	Confident	32 Å²	32	85 Å²	85	20%	0.196	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-64.8	-11.8	178.9	61.9	0	0	0	0	112.7	A262 D264 P357 S361 L362	A262-T359 HydrophobicContact CB-CG2 4.36Å; A262-T359 WeakPolarHBondContact O-CB 3.49Å; A262-T359 PolarHBondContact O-OG1 3.14Å; D264-T359 HydrophobicContact CB-CG2 4.44Å; P357-T359 VanDerWaalsContact C-N 3.3Å; P357-T359 PolarHBondContact O-N 2.92Å; T359-S361 PolarHBondContact O-N 3.2Å; T359-L362 VanDerWaalsContact O-CB 3.29Å; T359-L362 WeakPolarHBondContact O-CB 3.43Å; T359-L362 PolarHBondContact O-N 2.77Å
360	S	75	Confident	74.1	Confident	99 Å²	99	85.9 Å²	85.9	69%	0.692	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.1	178.9	76.6	0	0	0	0	113.6	D358	D358-S360 PolarHBondContact O-N 2.95Å; D358-S360 VanDerWaalsContact O-N 3.13Å; D358-S360 WeakPolarHBondContact OD1-CB 3.45Å; D358-S360 PolarHBondContact OD1-N 3.01Å; D358-S360 VanDerWaalsContact OD1-N 3.07Å; D358-S360 PolarHBondContact OD1-OG 3.48Å; D358-S360 PolarHBondContact OD2-OG 3.02Å; D358-S360 VanDerWaalsContact OD2-OG 3.12Å
361	S	77.8	Confident	75.1	Confident	99 Å²	99	82.3 Å²	82.3	69%	0.692	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-97	-2.5	177.8	67.4	0	0	0	0	114	D358 T359	D358-S361 PolarHBondContact O-N 2.91Å; D358-S361 PolarHBondContact O-OG 3.29Å; D358-S361 VanDerWaalsContact O-OG 3.12Å; T359-S361 PolarHBondContact O-N 3.2Å
362	L	85.1	Confident	76.6	Confident	41 Å²	41	79.2 Å²	79.2	22%	0.215	44%	0.436	C	S	.	.			trans	-73.1	129.3	-173.7	-162.1	89	0	0	0	110.8	A262 L337 T359 V364 E367	A262-L362 HydrophobicContact CB-CD2 3.61Å; L337-L362 HydrophobicContact CD2-CD2 3.57Å; T359-L362 VanDerWaalsContact O-CB 3.29Å; T359-L362 WeakPolarHBondContact O-CB 3.43Å; T359-L362 PolarHBondContact O-N 2.77Å; L362-V364 PolarHBondContact O-N 2.78Å; L362-E367 HydrophobicContact CD1-CG 4.01Å; L362-E367 HydrophobicContact CD2-CB 4.4Å; L362-E367 HydrophobicContact CD2-CG 3.78Å; L362-E367 HydrophobicContact CG-CG 3.77Å
363	D	89.4	Confident	78.2	Confident	99 Å²	99	75.7 Å²	75.7	53%	0.529	42%	0.418	S	S	.	.			trans	-76.1	91.5	167.4	-175.2	-10.7	0	0	0	109.6	R365 N366 E367	D363-R365 PolarHBondContact O-N 3.35Å; D363-R365 PolarHBondContact OD1-N 3.44Å; D363-R365 VanDerWaalsContact OD1-N 3.09Å; D363-N366 HydrophobicContact CB-CB 3.97Å; D363-N366 PolarHBondContact O-N 2.96Å; D363-N366 PolarHBondContact OD1-N 2.9Å; D363-E367 WeakPolarHBondContact O-CG 3.4Å; D363-E367 PolarHBondContact O-N 3.17Å
364	V	90.2	Very high	79.8	Confident	12 Å²	12	76.8 Å²	76.8	7%	0.073	43%	0.432	C	S	.	.	H	α-helix	trans	-54.6	-37.9	-179.2	-178.3	0	0	0	0	111.9	N260 A262 L337 H338 L362 E367 M368	N260-V364 HydrophobicContact CB-CB 4.37Å; N260-V364 HydrophobicContact CB-CG1 4.27Å; A262-V364 HydrophobicContact CB-CG2 4.08Å; L337-V364 HydrophobicContact CB-CG1 4.43Å; L337-V364 HydrophobicContact CD2-CG1 4.47Å; H338-V364 WeakPolarHBondContact O-CG1 3.43Å; L362-V364 PolarHBondContact O-N 2.78Å; V364-E367 PolarHBondContact O-N 2.84Å; V364-M368 HydrophobicContact CG1-CG 4.25Å; V364-M368 HydrophobicContact CG1-SD 3.89Å; V364-M368 WeakPolarHBondContact O-CB 3.45Å; V364-M368 VanDerWaalsContact O-CG 3.25Å; V364-M368 WeakPolarHBondContact O-CG 3.33Å; V364-M368 PolarHBondContact O-N 3Å
365	R	87.1	Confident	81.6	Confident	193 Å²	193	69.3 Å²	69.3	73%	0.728	39%	0.392	S	S	*	.	H	α-helix	trans	-67.9	-43.2	-178.3	-69.6	-179.8	178.1	-111.1	-1.7	111	D363 S369	D363-R365 PolarHBondContact O-N 3.35Å; D363-R365 PolarHBondContact OD1-N 3.44Å; D363-R365 VanDerWaalsContact OD1-N 3.09Å; R365-S369 WeakPolarHBondContact O-CB 3.46Å; R365-S369 PolarHBondContact O-N 2.74Å; R365-S369 VanDerWaalsContact O-N 3.07Å
366	N	89.8	Confident	83.2	Confident	86 Å²	86	68.7 Å²	68.7	46%	0.46	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-44.8	177.3	-174.1	60.5	0	0	0	111.4	D363 M368 S369 C370	D363-N366 HydrophobicContact CB-CB 3.97Å; D363-N366 PolarHBondContact O-N 2.96Å; D363-N366 PolarHBondContact OD1-N 2.9Å; N366-M368 PolarHBondContact O-N 2.76Å; N366-S369 WeakPolarHBondContact O-CB 3.44Å; N366-S369 PolarHBondContact O-N 3.34Å; N366-S369 VanDerWaalsContact O-N 3.16Å; N366-C370 PolarHBondContact O-N 3.02Å; N366-C370 PolarHBondContact O-SG 3.46Å; N366-C370 VanDerWaalsContact O-SG 3.39Å
367	E	89.6	Confident	85	Confident	58 Å²	58	58.8 Å²	58.8	27%	0.271	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-42.3	178.7	-68	-80.5	137	0	0	112.3	R335 L337 L362 D363 V364 S369 C370 L371	R335-E367 IonicContact NH1-OE2 3.85Å; R335-E367 PolarHBondContact NH1-OE2 2.92Å; L337-E367 HydrophobicContact CD1-CB 3.77Å; L337-E367 HydrophobicContact CD2-CB 4.42Å; L362-E367 HydrophobicContact CD1-CG 4.01Å; L362-E367 HydrophobicContact CD2-CB 4.4Å; L362-E367 HydrophobicContact CD2-CG 3.78Å; L362-E367 HydrophobicContact CG-CG 3.77Å; D363-E367 WeakPolarHBondContact O-CG 3.4Å; D363-E367 PolarHBondContact O-N 3.17Å; V364-E367 PolarHBondContact O-N 2.84Å; E367-S369 VanDerWaalsContact C-N 3.28Å; E367-S369 PolarHBondContact O-N 3.05Å; E367-C370 WeakPolarHBondContact O-CB 3.23Å; E367-C370 PolarHBondContact O-N 2.86Å; E367-L371 PolarHBondContact O-N 3.18Å
368	M	89.2	Confident	86.7	Confident	17 Å²	17	57 Å²	57	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-36.3	174.2	-72.7	-179.6	78.3	0	0	112	L337 D339 R344 V364 N366 L371	L337-M368 HydrophobicContact CB-CG 4.02Å; L337-M368 HydrophobicContact CD1-CG 4.19Å; D339-M368 HydrophobicContact CB-CE 4.09Å; D339-M368 HydrophobicContact CB-SD 3.82Å; D339-M368 WeakPolarHBondContact OD2-CE 3.28Å; R344-M368 HydrophobicContact CG-CE 3.99Å; R344-M368 HydrophobicContact CG-CG 4.14Å; V364-M368 HydrophobicContact CG1-CG 4.25Å; V364-M368 HydrophobicContact CG1-SD 3.89Å; V364-M368 WeakPolarHBondContact O-CB 3.45Å; V364-M368 VanDerWaalsContact O-CG 3.25Å; V364-M368 WeakPolarHBondContact O-CG 3.33Å; V364-M368 PolarHBondContact O-N 3Å; N366-M368 PolarHBondContact O-N 2.76Å; M368-L371 PolarHBondContact O-N 3.05Å
369	S	87.2	Confident	87.8	Confident	75 Å²	75	59.3 Å²	59.3	52%	0.524	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-38.3	175.1	-172.8	0	0	0	0	112.3	R365 N366 E367 L371 S372	R365-S369 WeakPolarHBondContact O-CB 3.46Å; R365-S369 PolarHBondContact O-N 2.74Å; R365-S369 VanDerWaalsContact O-N 3.07Å; N366-S369 WeakPolarHBondContact O-CB 3.44Å; N366-S369 PolarHBondContact O-N 3.34Å; N366-S369 VanDerWaalsContact O-N 3.16Å; E367-S369 VanDerWaalsContact C-N 3.28Å; E367-S369 PolarHBondContact O-N 3.05Å; S369-L371 PolarHBondContact O-N 2.8Å; S369-S372 WeakPolarHBondContact O-CB 3.08Å; S369-S372 PolarHBondContact O-N 2.74Å; S369-S372 PolarHBondContact O-OG 3.33Å
370	C	86.3	Confident	88.4	Confident	77 Å²	77	59 Å²	59	52%	0.52	33%	0.325	S	S	.	.	H	α-helix	trans	-66.4	-17.4	175.6	-67.1	0	0	0	0	114	N366 E367 S372	N366-C370 PolarHBondContact O-N 3.02Å; N366-C370 PolarHBondContact O-SG 3.46Å; N366-C370 VanDerWaalsContact O-SG 3.39Å; E367-C370 WeakPolarHBondContact O-CB 3.23Å; E367-C370 PolarHBondContact O-N 2.86Å; C370-S372 VanDerWaalsContact C-N 3.31Å
371	L	85.4	Confident	89.3	Confident	28 Å²	28	54.5 Å²	54.5	15%	0.147	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	24	175.2	-65	175.3	0	0	0	113	L337 R344 D346 E367 M368 S369	L337-L371 HydrophobicContact CD1-CD1 3.95Å; R344-L371 HydrophobicContact CB-CD1 3.76Å; R344-L371 HydrophobicContact CG-CD1 4.34Å; D346-L371 HydrophobicContact CB-CD2 4.28Å; E367-L371 PolarHBondContact O-N 3.18Å; M368-L371 PolarHBondContact O-N 3.05Å; S369-L371 PolarHBondContact O-N 2.8Å
372	S	87.1	Confident	90	Very high	43 Å²	43	52 Å²	52	30%	0.301	27%	0.274	S	S	.	.	S	Bend	trans	-96.3	159.4	175.8	66.2	0	0	0	0	112.8	G209 S369 C370 S374	G209-S372 CarbonylContact O-C 3.47Å; S369-S372 WeakPolarHBondContact O-CB 3.08Å; S369-S372 PolarHBondContact O-N 2.74Å; S369-S372 PolarHBondContact O-OG 3.33Å; C370-S372 VanDerWaalsContact C-N 3.31Å; S372-S374 PolarHBondContact O-N 3.04Å
373	C	92.6	Very high	90.5	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.014	27%	0.269	C	S	.	.			trans	-66.7	128.8	178.2	172.3	0	0	0	0	111.1	C207 G209 H378 R379	C207-C373 VanDerWaalsContact SG-CA 3.56Å; C207-C373 VanDerWaalsContact SG-SG 3.6Å; G209-C373 VanDerWaalsContact O-CA 3.28Å; G209-C373 WeakPolarHBondContact O-CA 3.36Å; G209-C373 WeakPolarHBondContact O-CB 3.26Å; G209-C373 PolarHBondContact O-N 2.77Å; C373-H378 HydrophobicContact CB-CB 4.2Å; C373-R379 HydrophobicContact CB-CG 4.09Å; C373-R379 PolarHBondContact O-NE 3.14Å; C373-R379 PolarHBondContact O-NH2 2.85Å
374	S	89.6	Confident	90.6	Very high	77 Å²	77	49.2 Å²	49.2	54%	0.538	26%	0.258	S	S	.	.			trans	-113.7	-4.7	177.5	62.2	0	0	0	0	114.9	C207 S372	C207-S374 PolarHBondContact SG-N 2.98Å; S372-S374 PolarHBondContact O-N 3.04Å
375	C	91.3	Very high	90.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	26%	0.255	C	S	.	.	S	Bend	trans	-104.4	1.6	-173.2	71.4	0	0	0	0	115.3	E203 I204 C207 L377 H378 L457	E203-C375 HydrophobicContact CB-CB 4.27Å; E203-C375 WeakPolarHBondContact O-CB 3.48Å; I204-C375 HydrophobicContact CB-CB 4.29Å; I204-C375 HydrophobicContact CG1-CB 3.79Å; C207-C375 HydrophobicContact CB-CB 3.86Å; C207-C375 PolarHBondContact SG-SG 3.19Å; C375-L377 PolarHBondContact O-N 3.26Å; C375-H378 PolarHBondContact SG-ND1 3.16Å; C375-L457 WeakPolarHBondContact O-CD1 3.27Å
376	D	90.3	Very high	91.2	Very high	46 Å²	46	39.5 Å²	39.5	25%	0.246	22%	0.22	C	C	.	.	S	Bend	trans	62.2	-29.5	-171.9	-56	-43.4	0	0	0	115.9	H378 R379 V380 L457 R460	D376-H378 PolarHBondContact O-N 2.78Å; D376-R379 WeakPolarHBondContact O-CB 3.47Å; D376-R379 PolarHBondContact O-N 2.79Å; D376-V380 WeakPolarHBondContact O-CG2 3.27Å; D376-V380 PolarHBondContact O-N 2.58Å; D376-V380 VanDerWaalsContact O-N 3.15Å; D376-L457 HydrophobicContact CB-CD1 4.5Å; D376-R460 IonicContact OD2-CZ 2.77Å; D376-R460 IonicContact OD2-NH1 3.92Å; D376-R460 IonicContact OD2-NH2 3.34Å; D376-R460 PolarHBondContact OD2-NH2 3.31Å
377	L	94.2	Very high	91.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-53.6	-49.3	178.8	-176.1	144.8	0	0	0	112.6	L182 I204 C375 R379 V380 W381 I386 L457	L182-L377 HydrophobicContact CD1-CD1 4.19Å; I204-L377 HydrophobicContact CD1-CB 4.47Å; I204-L377 HydrophobicContact CD1-CD1 3.98Å; I204-L377 HydrophobicContact CG1-CB 4.36Å; I204-L377 HydrophobicContact CG2-CD1 4.21Å; C375-L377 PolarHBondContact O-N 3.26Å; L377-R379 PolarHBondContact O-N 2.92Å; L377-V380 PolarHBondContact O-N 2.86Å; L377-W381 HydrophobicContact CD1-CD2 4.37Å; L377-W381 HydrophobicContact CD1-CE3 4.07Å; L377-W381 HydrophobicContact CD1-CZ3 4.39Å; L377-W381 HydrophobicContact CG-CB 4.39Å; L377-W381 HydrophobicContact CG-CD2 4.26Å; L377-W381 HydrophobicContact CG-CE3 4.31Å; L377-W381 HydrophobicContact CG-CG 4.31Å; L377-W381 WeakPolarHBondContact O-CB 3.49Å; L377-W381 PolarHBondContact O-N 2.86Å; L377-I386 HydrophobicContact CD2-CD1 3.56Å; L377-I386 HydrophobicContact CD2-CG1 4.09Å; L377-L457 HydrophobicContact CB-CD2 3.79Å; L377-L457 HydrophobicContact CD1-CD2 4.44Å; L377-L457 HydrophobicContact CG-CD2 4.27Å
378	H	94.1	Very high	91.8	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-68.9	-22	-179	-56.1	101.7	0	0	0	113.5	H180 R181 C207 G209 L210 C373 C375 D376	H180-H378 PolarHBondContact O-CD2 2.89Å; H180-H378 PolarHBondContact O-NE2 2.83Å; R181-H378 PolarHBondContact NH1-CE1 3.39Å; R181-H378 PolarHBondContact NH1-NE2 3.16Å; C207-H378 PolarHBondContact SG-ND1 2.89Å; G209-H378 WeakPolarHBondContact CA-ND1 3.08Å; L210-H378 WeakPolarHBondContact CD1-O 3.35Å; L210-H378 HydrophobicContact CG-CB 4Å; L210-H378 WeakPolarHBondContact CG-O 3.4Å; C373-H378 HydrophobicContact CB-CB 4.2Å; C375-H378 PolarHBondContact SG-ND1 3.16Å; D376-H378 PolarHBondContact O-N 2.78Å
379	R	91.7	Very high	92	Very high	151 Å²	151	32 Å²	32	57%	0.57	18%	0.183	S	C	*	.	H	α-helix	trans	-78.5	-29.6	177.5	-64.9	177.2	-177.1	-172.2	-0.1	112.1	L210 C373 D376 L377	L210-R379 HydrophobicContact CD2-CG 4.09Å; C373-R379 HydrophobicContact CB-CG 4.09Å; C373-R379 PolarHBondContact O-NE 3.14Å; C373-R379 PolarHBondContact O-NH2 2.85Å; D376-R379 WeakPolarHBondContact O-CB 3.47Å; D376-R379 PolarHBondContact O-N 2.79Å; L377-R379 PolarHBondContact O-N 2.92Å
380	V	93.4	Very high	92.4	Very high	27 Å²	27	28.7 Å²	28.7	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-108.7	-35.4	-168.6	-175.6	0	0	0	0	112.3	D376 L377	D376-V380 WeakPolarHBondContact O-CG2 3.27Å; D376-V380 PolarHBondContact O-N 2.58Å; D376-V380 VanDerWaalsContact O-N 3.15Å; L377-V380 PolarHBondContact O-N 2.86Å
381	W	94.2	Very high	92.7	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.015	14%	0.138	C	C	.	.	S	Bend	trans	-97.5	121.2	-177.8	-69.5	19.7	0	0	0	110.2	L182 F199 L377 I386 L389 C425 S454 L458	L182-W381 HydrophobicContact CD1-CZ3 4.41Å; F199-W381 AromaticContact CE1-CH2 3.93Å; F199-W381 HydrophobicContact CE1-CH2 3.93Å; F199-W381 HydrophobicContact CE1-CZ3 4.28Å; F199-W381 AromaticContact CZ-CH2 3.68Å; F199-W381 HydrophobicContact CZ-CH2 3.68Å; F199-W381 HydrophobicContact CZ-CZ2 4.31Å; F199-W381 HydrophobicContact CZ-CZ3 4.47Å; L377-W381 HydrophobicContact CD1-CD2 4.37Å; L377-W381 HydrophobicContact CD1-CE3 4.07Å; L377-W381 HydrophobicContact CD1-CZ3 4.39Å; L377-W381 HydrophobicContact CG-CB 4.39Å; L377-W381 HydrophobicContact CG-CD2 4.26Å; L377-W381 HydrophobicContact CG-CE3 4.31Å; L377-W381 HydrophobicContact CG-CG 4.31Å; L377-W381 WeakPolarHBondContact O-CB 3.49Å; L377-W381 PolarHBondContact O-N 2.86Å; W381-I386 HydrophobicContact CB-CD1 4.38Å; W381-I386 HydrophobicContact CB-CG1 4.11Å; W381-L389 HydrophobicContact CE3-CD1 3.89Å; W381-L389 HydrophobicContact CH2-CD1 4.33Å; W381-L389 HydrophobicContact CZ3-CD1 3.41Å; W381-L389 VanDerWaalsContact CZ3-CD1 3.41Å; W381-C425 HydrophobicContact CD2-CB 3.75Å; W381-C425 VanDerWaalsContact CE2-CA 3.44Å; W381-C425 HydrophobicContact CE3-CB 4.38Å; W381-C425 HydrophobicContact CG-CB 3.8Å; W381-C425 HydrophobicContact CZ2-CB 4.29Å; W381-S454 PolarHBondContact NE1-OG 2.96Å; W381-L458 HydrophobicContact CH2-CD2 4.49Å; W381-L458 HydrophobicContact CZ2-CD2 3.92Å; W381-L458 HydrophobicContact CZ2-CG 4.39Å
382	P	93.1	Very high	93	Very high	46 Å²	46	28.1 Å²	28.1	30%	0.299	16%	0.158	S	C	.	.			trans	-59.4	147.1	178.1	-27.2	37.2	0	0	0	112.9	T384 R385 I386 Y507	P382-T384 VanDerWaalsContact C-N 3.28Å; P382-T384 PolarHBondContact O-N 3.15Å; P382-R385 HydrophobicContact CB-CB 4.24Å; P382-R385 WeakPolarHBondContact O-CA 3.4Å; P382-R385 VanDerWaalsContact O-CB 3.3Å; P382-R385 WeakPolarHBondContact O-CB 3.48Å; P382-R385 PolarHBondContact O-N 2.65Å; P382-I386 WeakPolarHBondContact O-CG1 3.34Å; P382-I386 PolarHBondContact O-N 2.85Å; P382-Y507 WeakPolarHBondContact CG-OH 3.48Å
383	R	94.3	Very high	93.1	Very high	32 Å²	32	28.8 Å²	28.8	12%	0.121	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-41.5	179.6	-67.4	-172.6	-178.9	-84.3	8.4	112.8	H179 S212 F319 R385 I386 S387	H179-R383 HydrophobicContact CB-CB 4.21Å; H179-R383 VanDerWaalsContact O-CB 3.32Å; H179-R383 WeakPolarHBondContact O-CB 3.29Å; H179-R383 VanDerWaalsContact O-CG 3.31Å; H179-R383 WeakPolarHBondContact O-CG 3.32Å; H179-R383 PolarHBondContact O-NH1 3.17Å; S212-R383 PolarHBondContact O-NH2 3.15Å; F319-R383 VanDerWaalsContact CE2-NH1 3.32Å; R383-R385 PolarHBondContact O-N 2.77Å; R383-I386 PolarHBondContact O-N 3.07Å; R383-S387 WeakPolarHBondContact O-CB 3.42Å; R383-S387 PolarHBondContact O-N 3.27Å
384	T	92.9	Very high	93.2	Very high	49 Å²	49	28.7 Å²	28.7	30%	0.301	16%	0.158	S	C	.	.	H	α-helix	trans	-59.7	-38.3	176.6	48.6	0	0	0	0	111.6	P382 S387 E388 G694	P382-T384 VanDerWaalsContact C-N 3.28Å; P382-T384 PolarHBondContact O-N 3.15Å; T384-S387 WeakPolarHBondContact O-CB 3.33Å; T384-S387 PolarHBondContact O-N 3.06Å; T384-E388 PolarHBondContact O-N 2.89Å; T384-G694 WeakPolarHBondContact CB-O 3.47Å; T384-G694 PolarHBondContact O-N 3.2Å; T384-G694 VanDerWaalsContact O-N 3.12Å
385	R	94.6	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.1	-46.1	177.4	-178.7	54.4	179	161.9	4.7	112.7	P382 R383 S387 E388 L389 C425 E505 Y507	P382-R385 HydrophobicContact CB-CB 4.24Å; P382-R385 WeakPolarHBondContact O-CA 3.4Å; P382-R385 VanDerWaalsContact O-CB 3.3Å; P382-R385 WeakPolarHBondContact O-CB 3.48Å; P382-R385 PolarHBondContact O-N 2.65Å; R383-R385 PolarHBondContact O-N 2.77Å; R385-S387 PolarHBondContact O-N 2.78Å; R385-E388 IonicContact CZ-OE2 3.74Å; R385-E388 IonicContact NH1-OE1 3.69Å; R385-E388 IonicContact NH1-OE2 3.94Å; R385-E388 PolarHBondContact NH1-OE2 3.5Å; R385-E388 WeakPolarHBondContact O-CB 3.32Å; R385-E388 PolarHBondContact O-N 3Å; R385-L389 WeakPolarHBondContact O-CG 3.15Å; R385-L389 PolarHBondContact O-N 2.99Å; R385-C425 HydrophobicContact CG-CB 3.96Å; R385-C425 PolarHBondContact NE-O 2.84Å; R385-C425 PolarHBondContact NH2-O 2.91Å; R385-E505 IonicContact CZ-OE1 3.93Å; R385-E505 IonicContact CZ-OE2 3.48Å; R385-E505 IonicContact NH1-OE1 3.41Å; R385-E505 PolarHBondContact NH1-OE1 3.39Å; R385-E505 IonicContact NH2-OE1 3.81Å; R385-E505 PolarHBondContact NH2-OE1 3.02Å; R385-E505 IonicContact NH2-OE2 2.68Å; R385-E505 PolarHBondContact NH2-OE2 2.89Å; R385-Y507 HydrophobicContact CB-CE2 4.2Å; R385-Y507 WeakPolarHBondContact CB-OH 3.35Å; R385-Y507 HydrophobicContact CG-CE1 3.9Å; R385-Y507 HydrophobicContact CG-CE2 4.15Å
386	I	95.3	Very high	93.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-55.5	-41.7	172.9	-61.1	169	0	0	0	109.9	S178 L182 L377 W381 P382 R383 L389 N390	S178-I386 CarbonylContact O-C 3.52Å; S178-I386 WeakPolarHBondContact O-CG2 3.3Å; L182-I386 HydrophobicContact CD2-CG2 4.03Å; L182-I386 HydrophobicContact CG-CG2 4.24Å; L377-I386 HydrophobicContact CD2-CD1 3.56Å; L377-I386 HydrophobicContact CD2-CG1 4.09Å; W381-I386 HydrophobicContact CB-CD1 4.38Å; W381-I386 HydrophobicContact CB-CG1 4.11Å; P382-I386 WeakPolarHBondContact O-CG1 3.34Å; P382-I386 PolarHBondContact O-N 2.85Å; R383-I386 PolarHBondContact O-N 3.07Å; I386-L389 PolarHBondContact O-N 3.01Å; I386-N390 PolarHBondContact O-N 3.04Å; I386-N390 PolarHBondContact O-ND2 3.47Å
387	S	95.4	Very high	93.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.3	-41.2	178.5	-162.9	0	0	0	0	113.6	S178 H179 R383 T384 R385 N390 S391 R693	S178-S387 WeakPolarHBondContact O-CA 3.19Å; S178-S387 PolarHBondContact O-N 2.96Å; S178-S387 PolarHBondContact OG-OG 2.94Å; H179-S387 PolarHBondContact CE1-OG 3.18Å; H179-S387 PolarHBondContact ND1-OG 3.05Å; H179-S387 WeakPolarHBondContact NE2-CB 3.4Å; H179-S387 PolarHBondContact NE2-OG 2.84Å; R383-S387 WeakPolarHBondContact O-CB 3.42Å; R383-S387 PolarHBondContact O-N 3.27Å; T384-S387 WeakPolarHBondContact O-CB 3.33Å; T384-S387 PolarHBondContact O-N 3.06Å; R385-S387 PolarHBondContact O-N 2.78Å; S387-N390 WeakPolarHBondContact O-CB 3.31Å; S387-N390 PolarHBondContact O-N 3.49Å; S387-S391 PolarHBondContact O-N 3.12Å; S387-R693 WeakPolarHBondContact O-CD 3.21Å; S387-R693 WeakPolarHBondContact OG-CG 3.35Å
388	E	94.8	Very high	93.4	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.023	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-46.1	175	-169.6	-173.3	175.7	0	0	111.5	T384 R385 N390 S391 Y394 Y673 P675	T384-E388 PolarHBondContact O-N 2.89Å; R385-E388 IonicContact CZ-OE2 3.74Å; R385-E388 IonicContact NH1-OE1 3.69Å; R385-E388 IonicContact NH1-OE2 3.94Å; R385-E388 PolarHBondContact NH1-OE2 3.5Å; R385-E388 WeakPolarHBondContact O-CB 3.32Å; R385-E388 PolarHBondContact O-N 3Å; E388-N390 PolarHBondContact O-N 3.37Å; E388-N390 VanDerWaalsContact O-N 3.12Å; E388-S391 WeakPolarHBondContact O-CB 3.46Å; E388-S391 PolarHBondContact O-N 3.12Å; E388-S391 PolarHBondContact O-OG 3.07Å; E388-Y394 VanDerWaalsContact O-CB 3.26Å; E388-Y394 WeakPolarHBondContact O-CB 3.38Å; E388-Y673 PolarHBondContact OE1-OH 3.18Å; E388-P675 WeakPolarHBondContact OE1-CB 3.38Å
389	L	95.2	Very high	93.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-20.3	179.5	-73.4	179.5	0	0	0	113.5	L182 W381 R385 I386 Y394 Y427	L182-L389 HydrophobicContact CD2-CB 3.8Å; L182-L389 HydrophobicContact CD2-CD1 4.15Å; W381-L389 HydrophobicContact CE3-CD1 3.89Å; W381-L389 HydrophobicContact CH2-CD1 4.33Å; W381-L389 HydrophobicContact CZ3-CD1 3.41Å; W381-L389 VanDerWaalsContact CZ3-CD1 3.41Å; R385-L389 WeakPolarHBondContact O-CG 3.15Å; R385-L389 PolarHBondContact O-N 2.99Å; I386-L389 PolarHBondContact O-N 3.01Å; L389-Y394 HydrophobicContact CD2-CD1 3.97Å; L389-Y394 HydrophobicContact CD2-CD2 4.13Å; L389-Y394 HydrophobicContact CD2-CE1 3.58Å; L389-Y394 HydrophobicContact CD2-CE2 3.78Å; L389-Y394 HydrophobicContact CD2-CG 4.22Å; L389-Y394 VanDerWaalsContact CD2-CZ 3.44Å; L389-Y427 HydrophobicContact CB-CD1 4.41Å; L389-Y427 HydrophobicContact CB-CE1 3.78Å; L389-Y427 HydrophobicContact CD1-CD1 4.19Å; L389-Y427 HydrophobicContact CD1-CE1 4.38Å; L389-Y427 HydrophobicContact CD2-CD1 4.2Å; L389-Y427 HydrophobicContact CD2-CE1 4.01Å; L389-Y427 HydrophobicContact CG-CE1 4.29Å; L389-Y427 PolarHBondContact O-OH 3.09Å
390	N	94.5	Very high	93.3	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.027	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-14.2	173.1	-73.3	-44.7	0	0	0	114.1	S178 R181 L182 F183 I386 S387 E388 K395	S178-N390 PolarHBondContact O-ND2 2.88Å; S178-N390 VanDerWaalsContact O-ND2 3.13Å; R181-N390 PolarHBondContact O-ND2 3.23Å; L182-N390 WeakPolarHBondContact CA-OD1 3.17Å; F183-N390 HydrophobicContact CD2-CB 4.2Å; F183-N390 HydrophobicContact CE2-CB 4.49Å; F183-N390 HydrophobicContact CG-CB 4.47Å; F183-N390 PolarHBondContact N-OD1 3.37Å; I386-N390 PolarHBondContact O-N 3.04Å; I386-N390 PolarHBondContact O-ND2 3.47Å; S387-N390 WeakPolarHBondContact O-CB 3.31Å; S387-N390 PolarHBondContact O-N 3.49Å; E388-N390 PolarHBondContact O-N 3.37Å; E388-N390 VanDerWaalsContact O-N 3.12Å; N390-K395 WeakPolarHBondContact O-CE 3.18Å
391	S	92.6	Very high	93.1	Very high	11 Å²	11	22.7 Å²	22.7	8%	0.077	13%	0.129	C	C	.	.	S	Bend	trans	-68.9	153.6	-171.6	73.6	0	0	0	0	113	S387 E388 D393 Y394 K395	S387-S391 PolarHBondContact O-N 3.12Å; E388-S391 WeakPolarHBondContact O-CB 3.46Å; E388-S391 PolarHBondContact O-N 3.12Å; E388-S391 PolarHBondContact O-OG 3.07Å; S391-D393 PolarHBondContact O-N 2.9Å; S391-Y394 PolarHBondContact O-N 3.13Å; S391-Y394 VanDerWaalsContact OG-CB 3.31Å; S391-Y394 WeakPolarHBondContact OG-CB 3.46Å; S391-Y394 PolarHBondContact OG-N 2.69Å; S391-K395 VanDerWaalsContact O-CG 3.32Å; S391-K395 WeakPolarHBondContact O-CG 3.34Å; S391-K395 PolarHBondContact O-N 2.83Å
392	S	91.3	Very high	93	Very high	82 Å²	82	22.5 Å²	22.5	57%	0.573	13%	0.128	S	C	*	.	H	α-helix	trans	-61.3	-34.3	170.1	48.3	0	0	0	0	112.2	K395 T396	S392-K395 PolarHBondContact O-N 3.12Å; S392-T396 WeakPolarHBondContact O-CB 3.3Å; S392-T396 PolarHBondContact O-N 2.79Å; S392-T396 PolarHBondContact O-OG1 3.44Å
393	D	90.6	Very high	92.9	Very high	57 Å²	57	22.7 Å²	22.7	31%	0.305	13%	0.127	S	C	.	.	H	α-helix	trans	-65.3	-46.3	-178.9	-70.8	7	0	0	0	110.5	S391 T396 F397 Y673 K691	S391-D393 PolarHBondContact O-N 2.9Å; D393-T396 WeakPolarHBondContact O-CB 3.23Å; D393-T396 PolarHBondContact O-N 3.3Å; D393-F397 WeakPolarHBondContact O-CB 3.46Å; D393-F397 PolarHBondContact O-N 3.46Å; D393-Y673 HydrophobicContact CB-CE2 4.05Å; D393-K691 VanDerWaalsContact OD2-CE 3.27Å; D393-K691 WeakPolarHBondContact OD2-CE 3.38Å; D393-K691 IonicContact OD2-NZ 3.01Å; D393-K691 PolarHBondContact OD2-NZ 3.35Å
394	Y	93	Very high	92.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-38.7	176.4	-177.1	-93.1	0	0	0	112.5	E388 L389 S391 T396 F397 S398 T426 Y427 E505	E388-Y394 VanDerWaalsContact O-CB 3.26Å; E388-Y394 WeakPolarHBondContact O-CB 3.38Å; L389-Y394 HydrophobicContact CD2-CD1 3.97Å; L389-Y394 HydrophobicContact CD2-CD2 4.13Å; L389-Y394 HydrophobicContact CD2-CE1 3.58Å; L389-Y394 HydrophobicContact CD2-CE2 3.78Å; L389-Y394 HydrophobicContact CD2-CG 4.22Å; L389-Y394 VanDerWaalsContact CD2-CZ 3.44Å; S391-Y394 PolarHBondContact O-N 3.13Å; S391-Y394 VanDerWaalsContact OG-CB 3.31Å; S391-Y394 WeakPolarHBondContact OG-CB 3.46Å; S391-Y394 PolarHBondContact OG-N 2.69Å; Y394-T396 VanDerWaalsContact C-N 3.33Å; Y394-T396 PolarHBondContact O-N 3.03Å; Y394-F397 AromaticContact CD2-CD1 3.67Å; Y394-F397 HydrophobicContact CD2-CD1 3.67Å; Y394-F397 HydrophobicContact CD2-CE1 4.23Å; Y394-F397 AromaticContact CE2-CD1 3.55Å; Y394-F397 HydrophobicContact CE2-CD1 3.55Å; Y394-F397 AromaticContact CE2-CE1 3.68Å; Y394-F397 HydrophobicContact CE2-CE1 3.68Å; Y394-F397 WeakPolarHBondContact O-CB 3.41Å; Y394-F397 PolarHBondContact O-N 2.83Å; Y394-S398 WeakPolarHBondContact O-CB 3.29Å; Y394-S398 PolarHBondContact O-N 3.27Å; Y394-S398 PolarHBondContact O-OG 3.1Å; Y394-T426 PolarHBondContact OH-OG1 2.81Å; Y394-T426 VanDerWaalsContact OH-OG1 3.11Å; Y394-Y427 HydrophobicContact CD1-CE2 4.31Å; Y394-Y427 AromaticContact CD1-CZ 3.84Å; Y394-Y427 WeakPolarHBondContact CD1-OH 3.45Å; Y394-Y427 HydrophobicContact CE1-CD2 4.25Å; Y394-Y427 HydrophobicContact CE1-CE1 4.1Å; Y394-Y427 AromaticContact CE1-CE2 3.44Å; Y394-Y427 HydrophobicContact CE1-CE2 3.44Å; Y394-Y427 VanDerWaalsContact CE1-CE2 3.44Å; Y394-Y427 AromaticContact CE1-CZ 3.32Å; Y394-Y427 WeakPolarHBondContact CE1-OH 3.19Å; Y394-E505 WeakPolarHBondContact CD2-OE1 3.45Å; Y394-E505 WeakPolarHBondContact CE2-OE1 3.43Å; Y394-E505 VanDerWaalsContact CE2-OE2 3.31Å; Y394-E505 WeakPolarHBondContact CE2-OE2 3.32Å; Y394-E505 PolarHBondContact OH-OE2 3.22Å
395	K	93.3	Very high	92.2	Very high	54 Å²	54	19.2 Å²	19.2	24%	0.235	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-40.6	173.8	-67	174.8	-155.1	-162.4	0	112	F185 I187 N390 S391 S392 S398 T399	F185-K395 VanDerWaalsContact CD1-NZ 3.33Å; F185-K395 HydrophobicContact CD2-CD 4.03Å; F185-K395 HydrophobicContact CE1-CD 4.42Å; F185-K395 VanDerWaalsContact CE1-CE 3.48Å; F185-K395 HydrophobicContact CE2-CD 3.55Å; F185-K395 HydrophobicContact CE2-CG 3.74Å; F185-K395 HydrophobicContact CZ-CD 3.77Å; F185-K395 HydrophobicContact CZ-CG 3.79Å; I187-K395 HydrophobicContact CD1-CB 4.39Å; N390-K395 WeakPolarHBondContact O-CE 3.18Å; S391-K395 VanDerWaalsContact O-CG 3.32Å; S391-K395 WeakPolarHBondContact O-CG 3.34Å; S391-K395 PolarHBondContact O-N 2.83Å; S392-K395 PolarHBondContact O-N 3.12Å; K395-S398 WeakPolarHBondContact CA-OG 3.43Å; K395-S398 PolarHBondContact O-OG 3.41Å; K395-S398 VanDerWaalsContact O-OG 3.14Å; K395-T399 VanDerWaalsContact O-CB 3.23Å; K395-T399 WeakPolarHBondContact O-CB 3.31Å; K395-T399 PolarHBondContact O-N 2.88Å; K395-T399 PolarHBondContact O-OG1 3.49Å
396	T	92	Very high	91.8	Very high	59 Å²	59	19.7 Å²	19.7	36%	0.362	11%	0.112	S	C	.	.	H	α-helix	trans	-66.2	-46	176.4	-59.4	0	0	0	0	110.7	S392 D393 Y394 K400 W671	S392-T396 WeakPolarHBondContact O-CB 3.3Å; S392-T396 PolarHBondContact O-N 2.79Å; S392-T396 PolarHBondContact O-OG1 3.44Å; D393-T396 WeakPolarHBondContact O-CB 3.23Å; D393-T396 PolarHBondContact O-N 3.3Å; Y394-T396 VanDerWaalsContact C-N 3.33Å; Y394-T396 PolarHBondContact O-N 3.03Å; T396-K400 HydrophobicContact CG2-CD 3.97Å; T396-K400 HydrophobicContact CG2-CG 4.45Å; T396-K400 VanDerWaalsContact O-CB 3.32Å; T396-K400 WeakPolarHBondContact O-CB 3.13Å; T396-K400 WeakPolarHBondContact O-CG 3.41Å; T396-K400 PolarHBondContact O-N 2.95Å; T396-W671 HydrophobicContact CG2-CZ2 4.13Å
397	F	91.7	Very high	91.2	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-53.5	-61.3	173.9	159.8	-121.1	0	0	0	111.6	D393 Y394 T399 K400 I401 L428 E505 Y659 W671 Y673	D393-F397 WeakPolarHBondContact O-CB 3.46Å; D393-F397 PolarHBondContact O-N 3.46Å; Y394-F397 AromaticContact CD2-CD1 3.67Å; Y394-F397 HydrophobicContact CD2-CD1 3.67Å; Y394-F397 HydrophobicContact CD2-CE1 4.23Å; Y394-F397 AromaticContact CE2-CD1 3.55Å; Y394-F397 HydrophobicContact CE2-CD1 3.55Å; Y394-F397 AromaticContact CE2-CE1 3.68Å; Y394-F397 HydrophobicContact CE2-CE1 3.68Å; Y394-F397 WeakPolarHBondContact O-CB 3.41Å; Y394-F397 PolarHBondContact O-N 2.83Å; F397-T399 VanDerWaalsContact C-N 3.28Å; F397-T399 PolarHBondContact O-N 2.9Å; F397-K400 PolarHBondContact O-N 3.1Å; F397-K400 VanDerWaalsContact O-N 3.17Å; F397-I401 HydrophobicContact CE2-CB 4.09Å; F397-I401 HydrophobicContact CE2-CD1 3.97Å; F397-I401 HydrophobicContact CE2-CG2 3.94Å; F397-I401 HydrophobicContact CZ-CD1 4.33Å; F397-I401 HydrophobicContact CZ-CG2 4.26Å; F397-I401 WeakPolarHBondContact O-CG2 3.21Å; F397-I401 PolarHBondContact O-N 3.45Å; F397-L428 HydrophobicContact CZ-CD2 4.38Å; F397-E505 HydrophobicContact CE1-CB 4.02Å; F397-E505 HydrophobicContact CE1-CG 4.09Å; F397-E505 HydrophobicContact CZ-CB 4.14Å; F397-Y659 AromaticContact CD2-CD1 3.86Å; F397-Y659 HydrophobicContact CD2-CD1 3.86Å; F397-Y659 AromaticContact CD2-CE1 3.75Å; F397-Y659 HydrophobicContact CD2-CE1 3.75Å; F397-Y659 HydrophobicContact CD2-CE2 4.38Å; F397-Y659 HydrophobicContact CD2-CG 4.32Å; F397-Y659 AromaticContact CD2-CZ 3.95Å; F397-Y659 AromaticContact CE2-CD1 3.38Å; F397-Y659 HydrophobicContact CE2-CD1 3.38Å; F397-Y659 AromaticContact CE2-CE1 3.01Å; F397-Y659 HydrophobicContact CE2-CE1 3.01Å; F397-Y659 HydrophobicContact CE2-CE2 4.34Å; F397-Y659 HydrophobicContact CE2-CG 4.26Å; F397-Y659 AromaticContact CE2-CZ 3.51Å; F397-Y659 HydrophobicContact CZ-CD1 4.44Å; F397-Y659 AromaticContact CZ-CE1 3.71Å; F397-Y659 HydrophobicContact CZ-CE1 3.71Å; F397-W671 HydrophobicContact CB-CH2 3.74Å; F397-W671 HydrophobicContact CB-CZ3 4.14Å; F397-W671 HydrophobicContact CD2-CZ3 4.21Å; F397-Y673 HydrophobicContact CB-CD2 4.27Å; F397-Y673 HydrophobicContact CB-CE2 4.24Å
398	S	93.1	Very high	90.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-38	-176.1	51.9	0	0	0	0	112	Y394 K395 I401 I402	Y394-S398 WeakPolarHBondContact O-CB 3.29Å; Y394-S398 PolarHBondContact O-N 3.27Å; Y394-S398 PolarHBondContact O-OG 3.1Å; K395-S398 WeakPolarHBondContact CA-OG 3.43Å; K395-S398 PolarHBondContact O-OG 3.41Å; K395-S398 VanDerWaalsContact O-OG 3.14Å; S398-I401 WeakPolarHBondContact O-CG2 3.46Å; S398-I402 WeakPolarHBondContact O-CB 3.44Å; S398-I402 WeakPolarHBondContact O-CD1 3.37Å; S398-I402 WeakPolarHBondContact O-CG1 3.28Å; S398-I402 PolarHBondContact O-N 2.99Å; S398-I402 VanDerWaalsContact O-N 3.16Å
399	T	93	Very high	89.6	Confident	30 Å²	30	24.8 Å²	24.8	18%	0.184	14%	0.143	C	C	.	.	H	α-helix	trans	-68.3	-45.8	176.1	-62.5	0	0	0	0	111.8	I187 K395 F397 N403	I187-T399 WeakPolarHBondContact CD1-OG1 3.49Å; K395-T399 VanDerWaalsContact O-CB 3.23Å; K395-T399 WeakPolarHBondContact O-CB 3.31Å; K395-T399 PolarHBondContact O-N 2.88Å; K395-T399 PolarHBondContact O-OG1 3.49Å; F397-T399 VanDerWaalsContact C-N 3.28Å; F397-T399 PolarHBondContact O-N 2.9Å; T399-N403 WeakPolarHBondContact CG2-ND2 3.39Å; T399-N403 VanDerWaalsContact O-CB 3.3Å; T399-N403 WeakPolarHBondContact O-CB 3.46Å; T399-N403 VanDerWaalsContact O-CG 3.24Å; T399-N403 PolarHBondContact O-N 3.37Å; T399-N403 PolarHBondContact O-ND2 2.84Å
400	K	90.9	Very high	88.7	Confident	38 Å²	38	31.3 Å²	31.3	17%	0.165	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-45.4	179.5	-81.8	177.7	173.5	-91	0	111.8	T396 F397 S404 T661 W671	T396-K400 HydrophobicContact CG2-CD 3.97Å; T396-K400 HydrophobicContact CG2-CG 4.45Å; T396-K400 VanDerWaalsContact O-CB 3.32Å; T396-K400 WeakPolarHBondContact O-CB 3.13Å; T396-K400 WeakPolarHBondContact O-CG 3.41Å; T396-K400 PolarHBondContact O-N 2.95Å; F397-K400 PolarHBondContact O-N 3.1Å; F397-K400 VanDerWaalsContact O-N 3.17Å; K400-S404 WeakPolarHBondContact O-CB 3.34Å; K400-S404 PolarHBondContact O-N 2.84Å; K400-T661 HydrophobicContact CB-CG2 3.77Å; K400-T661 HydrophobicContact CD-CG2 4.37Å; K400-W671 HydrophobicContact CD-CD2 3.75Å; K400-W671 HydrophobicContact CD-CE3 4Å; K400-W671 HydrophobicContact CD-CG 4.06Å; K400-W671 HydrophobicContact CD-CZ3 4.48Å
401	I	90.3	Very high	87.7	Confident	2 Å²	2	39 Å²	39	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-41.5	-178.5	-164.5	173.5	0	0	0	111.7	F397 S398 S404 L405 L428 I503 F540 Y659	F397-I401 HydrophobicContact CE2-CB 4.09Å; F397-I401 HydrophobicContact CE2-CD1 3.97Å; F397-I401 HydrophobicContact CE2-CG2 3.94Å; F397-I401 HydrophobicContact CZ-CD1 4.33Å; F397-I401 HydrophobicContact CZ-CG2 4.26Å; F397-I401 WeakPolarHBondContact O-CG2 3.21Å; F397-I401 PolarHBondContact O-N 3.45Å; S398-I401 WeakPolarHBondContact O-CG2 3.46Å; I401-S404 VanDerWaalsContact O-CB 3.27Å; I401-S404 WeakPolarHBondContact O-CB 3.25Å; I401-S404 PolarHBondContact O-N 2.95Å; I401-L405 PolarHBondContact O-N 2.8Å; I401-L428 HydrophobicContact CG2-CD1 4.32Å; I401-I503 HydrophobicContact CD1-CB 4.44Å; I401-I503 HydrophobicContact CD1-CG1 4.39Å; I401-I503 HydrophobicContact CD1-CG2 3.39Å; I401-I503 HydrophobicContact CG1-CG2 4.43Å; I401-F540 HydrophobicContact CD1-CD1 4.48Å; I401-F540 HydrophobicContact CG1-CD1 4.11Å; I401-F540 HydrophobicContact CG1-CE1 3.91Å; I401-Y659 HydrophobicContact CD1-CD1 4Å; I401-Y659 HydrophobicContact CD1-CE1 4.16Å
402	I	91.7	Very high	86.6	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-39.6	179	-61.8	168.7	0	0	0	111	I189 S398 S404 L405 I406 L428 L431 L432 V435	I189-I402 HydrophobicContact CD1-CD1 3.59Å; I189-I402 HydrophobicContact CG2-CB 3.72Å; I189-I402 HydrophobicContact CG2-CG2 3.49Å; I189-I402 VanDerWaalsContact CG2-CG2 3.49Å; S398-I402 WeakPolarHBondContact O-CB 3.44Å; S398-I402 WeakPolarHBondContact O-CD1 3.37Å; S398-I402 WeakPolarHBondContact O-CG1 3.28Å; S398-I402 PolarHBondContact O-N 2.99Å; S398-I402 VanDerWaalsContact O-N 3.16Å; I402-S404 VanDerWaalsContact C-N 3.28Å; I402-S404 PolarHBondContact O-N 2.95Å; I402-L405 WeakPolarHBondContact O-CB 3.3Å; I402-L405 PolarHBondContact O-N 2.67Å; I402-I406 HydrophobicContact CG2-CD1 4.22Å; I402-I406 WeakPolarHBondContact O-CG1 3.34Å; I402-I406 PolarHBondContact O-N 3.43Å; I402-L428 HydrophobicContact CD1-CD1 3.85Å; I402-L428 HydrophobicContact CG1-CD1 4.18Å; I402-L431 HydrophobicContact CD1-CB 3.63Å; I402-L431 HydrophobicContact CD1-CD1 4.27Å; I402-L432 HydrophobicContact CD1-CD2 4.39Å; I402-L432 HydrophobicContact CD1-CG 4.28Å; I402-L432 HydrophobicContact CG1-CD2 3.79Å; I402-L432 HydrophobicContact CG1-CG 4.14Å; I402-L432 HydrophobicContact CG2-CD2 4.29Å; I402-V435 HydrophobicContact CG2-CB 4.08Å; I402-V435 HydrophobicContact CG2-CG1 3.82Å; I402-V435 HydrophobicContact CG2-CG2 4.07Å
403	N	90.4	Very high	85.1	Confident	49 Å²	49	45.2 Å²	45.2	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-36.1	173.1	-76.2	-25.7	0	0	0	112.3	G190 T399 L405 I406 T407	G190-N403 PolarHBondContact N-OD1 2.91Å; T399-N403 WeakPolarHBondContact CG2-ND2 3.39Å; T399-N403 VanDerWaalsContact O-CB 3.3Å; T399-N403 WeakPolarHBondContact O-CB 3.46Å; T399-N403 VanDerWaalsContact O-CG 3.24Å; T399-N403 PolarHBondContact O-N 3.37Å; T399-N403 PolarHBondContact O-ND2 2.84Å; N403-L405 VanDerWaalsContact C-N 3.35Å; N403-I406 PolarHBondContact O-N 2.9Å; N403-T407 PolarHBondContact O-N 2.82Å; N403-T407 PolarHBondContact O-OG1 2.9Å
404	S	86.8	Confident	83.8	Confident	7 Å²	7	44.7 Å²	44.7	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-47.9	172.3	-156.9	0	0	0	0	111.2	K400 I401 I402 I406 T407 V408 F540 N660	K400-S404 WeakPolarHBondContact O-CB 3.34Å; K400-S404 PolarHBondContact O-N 2.84Å; I401-S404 VanDerWaalsContact O-CB 3.27Å; I401-S404 WeakPolarHBondContact O-CB 3.25Å; I401-S404 PolarHBondContact O-N 2.95Å; I402-S404 VanDerWaalsContact C-N 3.28Å; I402-S404 PolarHBondContact O-N 2.95Å; S404-I406 PolarHBondContact O-N 3.33Å; S404-T407 WeakPolarHBondContact O-CB 3.31Å; S404-T407 PolarHBondContact O-N 3.26Å; S404-T407 VanDerWaalsContact O-N 3.16Å; S404-V408 PolarHBondContact O-N 2.86Å; S404-V408 VanDerWaalsContact O-N 3.08Å; S404-F540 WeakPolarHBondContact OG-CZ 3.17Å; S404-N660 VanDerWaalsContact CB-O 3.28Å; S404-N660 WeakPolarHBondContact CB-O 3.06Å; S404-N660 PolarHBondContact OG-O 2.99Å
405	L	86.2	Confident	82.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-45.1	178.5	-169	66.8	0	0	0	111.7	I401 I402 N403 T407 V408 L409 F417 V419 L432 L436 I501 I503 F540	I401-L405 PolarHBondContact O-N 2.8Å; I402-L405 WeakPolarHBondContact O-CB 3.3Å; I402-L405 PolarHBondContact O-N 2.67Å; N403-L405 VanDerWaalsContact C-N 3.35Å; L405-T407 VanDerWaalsContact C-N 3.29Å; L405-T407 PolarHBondContact O-N 3.04Å; L405-V408 PolarHBondContact O-N 2.87Å; L405-L409 HydrophobicContact CG-CD1 4.33Å; L405-L409 WeakPolarHBondContact O-CB 3.14Å; L405-L409 WeakPolarHBondContact O-CG 3.38Å; L405-L409 PolarHBondContact O-N 3.39Å; L405-F417 HydrophobicContact CD1-CE1 4.02Å; L405-F417 HydrophobicContact CD1-CZ 3.64Å; L405-F417 HydrophobicContact CD2-CE1 4.1Å; L405-F417 HydrophobicContact CG-CE1 4.12Å; L405-F417 HydrophobicContact CG-CZ 4.11Å; L405-V419 HydrophobicContact CD2-CG2 4.42Å; L405-L432 HydrophobicContact CD2-CD2 3.46Å; L405-L432 VanDerWaalsContact CD2-CD2 3.46Å; L405-L436 HydrophobicContact CD2-CD2 4.35Å; L405-I501 HydrophobicContact CD1-CD1 4.2Å; L405-I501 HydrophobicContact CD1-CG2 3.96Å; L405-I503 HydrophobicContact CD1-CD1 4.18Å; L405-I503 HydrophobicContact CD2-CD1 3.83Å; L405-F540 HydrophobicContact CB-CE1 4.45Å; L405-F540 HydrophobicContact CB-CZ 4.24Å; L405-F540 HydrophobicContact CD1-CD2 4.21Å; L405-F540 HydrophobicContact CD1-CE2 4.1Å; L405-F540 HydrophobicContact CD1-CZ 4.32Å
406	I	85.7	Confident	80.8	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-43.2	174.2	-68.1	160.9	0	0	0	111	I189 I402 N403 S404 V408 L409 Q410 V435	I189-I406 HydrophobicContact CG2-CD1 4.35Å; I402-I406 HydrophobicContact CG2-CD1 4.22Å; I402-I406 WeakPolarHBondContact O-CG1 3.34Å; I402-I406 PolarHBondContact O-N 3.43Å; N403-I406 PolarHBondContact O-N 2.9Å; S404-I406 PolarHBondContact O-N 3.33Å; I406-V408 VanDerWaalsContact C-N 3.3Å; I406-V408 PolarHBondContact O-N 2.84Å; I406-L409 WeakPolarHBondContact O-CB 3.39Å; I406-L409 PolarHBondContact O-N 3.01Å; I406-Q410 HydrophobicContact CG2-CG 4.3Å; I406-Q410 WeakPolarHBondContact O-CG 3.39Å; I406-Q410 PolarHBondContact O-N 3.03Å; I406-V435 HydrophobicContact CD1-CG1 3.54Å; I406-V435 HydrophobicContact CG1-CG1 3.87Å
407	T	83.8	Confident	79.9	Confident	47 Å²	47	46.1 Å²	46.1	29%	0.288	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-38.5	-180	-57.4	0	0	0	0	111.6	N403 S404 L405 K411	N403-T407 PolarHBondContact O-N 2.82Å; N403-T407 PolarHBondContact O-OG1 2.9Å; S404-T407 WeakPolarHBondContact O-CB 3.31Å; S404-T407 PolarHBondContact O-N 3.26Å; S404-T407 VanDerWaalsContact O-N 3.16Å; L405-T407 VanDerWaalsContact C-N 3.29Å; L405-T407 PolarHBondContact O-N 3.04Å; T407-K411 WeakPolarHBondContact O-CG 3.27Å; T407-K411 PolarHBondContact O-N 2.96Å
408	V	77.7	Confident	79.4	Confident	50 Å²	50	46.2 Å²	46.2	30%	0.303	26%	0.256	S	S	.	.	H	α-helix	trans	-69.4	-40.7	175.6	172.7	0	0	0	0	111.4	S404 L405 I406 K411 N412 F540	S404-V408 PolarHBondContact O-N 2.86Å; S404-V408 VanDerWaalsContact O-N 3.08Å; L405-V408 PolarHBondContact O-N 2.87Å; I406-V408 VanDerWaalsContact C-N 3.3Å; I406-V408 PolarHBondContact O-N 2.84Å; V408-K411 PolarHBondContact O-N 3.29Å; V408-N412 PolarHBondContact O-N 3.12Å; V408-N412 VanDerWaalsContact O-N 3.15Å; V408-N412 PolarHBondContact O-ND2 3Å; V408-N412 VanDerWaalsContact O-ND2 3.11Å; V408-F540 HydrophobicContact CB-CE2 4.47Å; V408-F540 HydrophobicContact CG2-CE2 3.94Å
409	L	77.7	Confident	79.2	Confident	16 Å²	16	46.3 Å²	46.3	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-44.8	175.3	-78.8	169.2	0	0	0	112.6	L405 I406 K411 N412 F417 L436 V440	L405-L409 HydrophobicContact CG-CD1 4.33Å; L405-L409 WeakPolarHBondContact O-CB 3.14Å; L405-L409 WeakPolarHBondContact O-CG 3.38Å; L405-L409 PolarHBondContact O-N 3.39Å; I406-L409 WeakPolarHBondContact O-CB 3.39Å; I406-L409 PolarHBondContact O-N 3.01Å; L409-K411 PolarHBondContact O-N 3.42Å; L409-N412 CarbonylContact O-C 3.41Å; L409-N412 PolarHBondContact O-N 2.93Å; L409-N412 VanDerWaalsContact O-O 3.06Å; L409-F417 HydrophobicContact CD1-CD1 4.43Å; L409-F417 HydrophobicContact CD1-CE1 4Å; L409-F417 HydrophobicContact CD1-CZ 4.12Å; L409-F417 HydrophobicContact CD2-CB 4.42Å; L409-F417 HydrophobicContact CD2-CD1 3.89Å; L409-F417 HydrophobicContact CD2-CD2 3.32Å; L409-F417 HydrophobicContact CD2-CE1 3.79Å; L409-F417 HydrophobicContact CD2-CE2 3.2Å; L409-F417 HydrophobicContact CD2-CG 3.64Å; L409-F417 HydrophobicContact CD2-CZ 3.43Å; L409-F417 VanDerWaalsContact CD2-CZ 3.43Å; L409-F417 HydrophobicContact CG-CD2 4.48Å; L409-F417 HydrophobicContact CG-CE1 4.12Å; L409-F417 HydrophobicContact CG-CE2 3.97Å; L409-F417 HydrophobicContact CG-CZ 3.75Å; L409-L436 HydrophobicContact CD1-CD2 3.52Å; L409-V440 HydrophobicContact CD1-CG1 4.38Å; L409-V440 HydrophobicContact CD2-CG1 3.75Å
410	Q	76.4	Confident	79.2	Confident	137 Å²	137	44.9 Å²	44.9	64%	0.64	25%	0.247	S	C	*	.	H	α-helix	trans	-64.4	-28.2	178.6	-74.1	175.6	-13.2	0	0	113.1	I406	I406-Q410 HydrophobicContact CG2-CG 4.3Å; I406-Q410 WeakPolarHBondContact O-CG 3.39Å; I406-Q410 PolarHBondContact O-N 3.03Å
411	K	73.2	Confident	79.4	Confident	166 Å²	166	43 Å²	43	72%	0.722	24%	0.239	S	C	*	.	H	α-helix	trans	-83.3	-25.6	178.4	-71.1	176.8	-178.3	178.7	0	113.3	T407 V408 L409	T407-K411 WeakPolarHBondContact O-CG 3.27Å; T407-K411 PolarHBondContact O-N 2.96Å; V408-K411 PolarHBondContact O-N 3.29Å; L409-K411 PolarHBondContact O-N 3.42Å
412	N	68.8	Low	79.6	Confident	96 Å²	96	43 Å²	43	51%	0.513	24%	0.239	S	C	.	.	S	Bend	trans	-123.3	92.4	-175.8	-60.7	-66.2	0	0	0	109.4	V408 L409 T414	V408-N412 PolarHBondContact O-N 3.12Å; V408-N412 VanDerWaalsContact O-N 3.15Å; V408-N412 PolarHBondContact O-ND2 3Å; V408-N412 VanDerWaalsContact O-ND2 3.11Å; L409-N412 CarbonylContact O-C 3.41Å; L409-N412 PolarHBondContact O-N 2.93Å; L409-N412 VanDerWaalsContact O-O 3.06Å; N412-T414 PolarHBondContact O-N 2.81Å
413	S	61.5	Low	79.8	Confident	128 Å²	128	43.1 Å²	43.1	90%	0.895	24%	0.24	S	C	*	.			trans	-68.4	101.9	176.1	-56.3	0	0	0	0	110.7
414	T	62.1	Low	80	Confident	45 Å²	45	40.9 Å²	40.9	28%	0.276	23%	0.228	S	C	.	.			trans	-114.4	143.2	173.4	56.7	0	0	0	0	110.6	N412	N412-T414 PolarHBondContact O-N 2.81Å
415	S	59.8	Low	80.3	Confident	83 Å²	83	40.6 Å²	40.6	58%	0.58	23%	0.226	S	C	*	.	S	Bend	trans	-77.5	-22.6	179.7	55.4	0	0	0	0	114.3
416	L	63.4	Low	80.7	Confident	52 Å²	52	40.5 Å²	40.5	27%	0.272	23%	0.226	S	C	.	.			trans	-136.2	130.1	177.8	-178.1	68.9	0	0	0	109.4	K442	L416-K442 HydrophobicContact CD1-CB 3.97Å
417	F	72.8	Confident	81.1	Confident	9 Å²	9	40 Å²	40	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.7	-179.4	-164.9	-111.6	0	0	0	111.1	L405 L409 V419 L436 V440 K442 S443 Q444 I501	L405-F417 HydrophobicContact CD1-CE1 4.02Å; L405-F417 HydrophobicContact CD1-CZ 3.64Å; L405-F417 HydrophobicContact CD2-CE1 4.1Å; L405-F417 HydrophobicContact CG-CE1 4.12Å; L405-F417 HydrophobicContact CG-CZ 4.11Å; L409-F417 HydrophobicContact CD1-CD1 4.43Å; L409-F417 HydrophobicContact CD1-CE1 4Å; L409-F417 HydrophobicContact CD1-CZ 4.12Å; L409-F417 HydrophobicContact CD2-CB 4.42Å; L409-F417 HydrophobicContact CD2-CD1 3.89Å; L409-F417 HydrophobicContact CD2-CD2 3.32Å; L409-F417 HydrophobicContact CD2-CE1 3.79Å; L409-F417 HydrophobicContact CD2-CE2 3.2Å; L409-F417 HydrophobicContact CD2-CG 3.64Å; L409-F417 HydrophobicContact CD2-CZ 3.43Å; L409-F417 VanDerWaalsContact CD2-CZ 3.43Å; L409-F417 HydrophobicContact CG-CD2 4.48Å; L409-F417 HydrophobicContact CG-CE1 4.12Å; L409-F417 HydrophobicContact CG-CE2 3.97Å; L409-F417 HydrophobicContact CG-CZ 3.75Å; F417-V419 HydrophobicContact CD1-CG2 3.44Å; F417-V419 VanDerWaalsContact CD1-CG2 3.44Å; F417-V419 HydrophobicContact CE1-CG2 3.17Å; F417-V419 HydrophobicContact CZ-CG2 4.16Å; F417-L436 HydrophobicContact CD1-CD1 4.46Å; F417-L436 HydrophobicContact CD1-CD2 4.06Å; F417-L436 HydrophobicContact CE1-CD2 4.07Å; F417-V440 HydrophobicContact CB-CG1 4.3Å; F417-K442 PolarHBondContact N-O 2.91Å; F417-S443 CarbonylContact O-C 3.45Å; F417-S443 VanDerWaalsContact O-CA 3.26Å; F417-S443 WeakPolarHBondContact O-CA 3.32Å; F417-Q444 PolarHBondContact O-N 2.83Å; F417-I501 HydrophobicContact CD2-CD1 4.39Å; F417-I501 HydrophobicContact CE1-CD1 4.29Å; F417-I501 HydrophobicContact CE2-CD1 3.26Å; F417-I501 HydrophobicContact CZ-CD1 3.21Å; F417-I501 HydrophobicContact CZ-CG1 4.48Å
418	N	82.6	Confident	81.6	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.9	-179	-52.5	-50.9	0	0	0	109.5	Q444 I489 L500 I501	N418-Q444 WeakPolarHBondContact CA-O 3.29Å; N418-I489 HydrophobicContact CB-CD1 4.41Å; N418-I489 VanDerWaalsContact ND2-CD1 3.25Å; N418-I489 WeakPolarHBondContact ND2-CD1 3.22Å; N418-L500 HydrophobicContact CB-CD1 4.01Å; N418-I501 PolarHBondContact O-N 3.2Å
419	V	88.8	Confident	82.4	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.7	177.5	-179.7	0	0	0	0	108.8	L405 F417 V421 L432 L436 Q444 L445 I446 I501 I503	L405-V419 HydrophobicContact CD2-CG2 4.42Å; F417-V419 HydrophobicContact CD1-CG2 3.44Å; F417-V419 VanDerWaalsContact CD1-CG2 3.44Å; F417-V419 HydrophobicContact CE1-CG2 3.17Å; F417-V419 HydrophobicContact CZ-CG2 4.16Å; V419-V421 HydrophobicContact CG1-CG2 4.24Å; V419-L432 HydrophobicContact CG1-CD1 4.28Å; V419-L436 HydrophobicContact CG2-CD1 4.14Å; V419-Q444 PolarHBondContact N-O 2.86Å; V419-L445 HydrophobicContact CB-CD1 3.51Å; V419-L445 HydrophobicContact CG1-CD1 3.54Å; V419-L445 WeakPolarHBondContact O-CA 3.44Å; V419-I446 PolarHBondContact O-N 2.99Å; V419-I501 CarbonylContact C-O 3.58Å; V419-I501 WeakPolarHBondContact CA-O 3.18Å; V419-I503 HydrophobicContact CG1-CD1 4.1Å
420	L	92.5	Very high	83.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.8	169.5	173.6	63.4	0	0	0	108.3	V422 I446 L448 V481 L500 I501 L502 I503 L527	L420-V422 HydrophobicContact CD1-CG2 4.38Å; L420-V422 HydrophobicContact CD2-CG2 4.06Å; L420-V422 HydrophobicContact CG-CG2 3.86Å; L420-I446 CarbonylContact C-O 3.55Å; L420-I446 WeakPolarHBondContact CA-O 3.2Å; L420-I446 HydrophobicContact CD1-CB 4.02Å; L420-I446 HydrophobicContact CD1-CG2 3.71Å; L420-L448 HydrophobicContact CD1-CB 4.07Å; L420-V481 HydrophobicContact CD1-CG1 4.2Å; L420-V481 HydrophobicContact CD1-CG2 4.07Å; L420-V481 HydrophobicContact CD2-CG1 4.17Å; L420-L500 HydrophobicContact CB-CD1 3.95Å; L420-I501 PolarHBondContact N-O 3.05Å; L420-L502 HydrophobicContact CD2-CD1 3.99Å; L420-L502 HydrophobicContact CD2-CG 4.33Å; L420-L502 HydrophobicContact CG-CG 4.49Å; L420-L502 CarbonylContact O-C 3.56Å; L420-L502 WeakPolarHBondContact O-CA 3.26Å; L420-I503 PolarHBondContact O-N 3.4Å; L420-L527 HydrophobicContact CD2-CD1 3.41Å; L420-L527 VanDerWaalsContact CD2-CD1 3.41Å
421	V	95	Very high	83.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.7	170.1	-178.7	0	0	0	0	108.4	V419 L428 P429 L432 L445 I446 L448 I503	V419-V421 HydrophobicContact CG1-CG2 4.24Å; V421-L428 HydrophobicContact CG1-CD2 4.24Å; V421-P429 HydrophobicContact CB-CG 3.99Å; V421-P429 HydrophobicContact CG1-CG 3.91Å; V421-P429 HydrophobicContact CG2-CG 4.17Å; V421-L432 HydrophobicContact CG2-CD1 3.49Å; V421-L432 VanDerWaalsContact CG2-CD1 3.49Å; V421-L445 HydrophobicContact CG2-CD1 3.94Å; V421-I446 PolarHBondContact N-O 2.73Å; V421-L448 PolarHBondContact O-N 2.87Å; V421-I503 CarbonylContact C-O 3.53Å; V421-I503 VanDerWaalsContact CA-O 3.22Å; V421-I503 WeakPolarHBondContact CA-O 3.32Å
422	V	95	Very high	84.8	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	105	175.4	-172.2	0	0	0	0	109.2	L420 L448 L502 I503 S504 Y519 F520 A523	L420-V422 HydrophobicContact CD1-CG2 4.38Å; L420-V422 HydrophobicContact CD2-CG2 4.06Å; L420-V422 HydrophobicContact CG-CG2 3.86Å; V422-L448 HydrophobicContact CG1-CB 4.43Å; V422-L448 HydrophobicContact CG1-CD2 3.92Å; V422-L448 HydrophobicContact CG1-CG 4.27Å; V422-L448 HydrophobicContact CG2-CB 4.24Å; V422-L448 HydrophobicContact CG2-CD2 4.11Å; V422-L502 HydrophobicContact CG2-CD1 3.97Å; V422-L502 HydrophobicContact CG2-CD2 4.09Å; V422-L502 HydrophobicContact CG2-CG 3.98Å; V422-I503 PolarHBondContact N-O 3.16Å; V422-S504 WeakPolarHBondContact O-CA 3.42Å; V422-S504 VanDerWaalsContact O-CB 3.29Å; V422-S504 WeakPolarHBondContact O-CB 3.36Å; V422-S504 PolarHBondContact O-OG 3.07Å; V422-Y519 HydrophobicContact CG1-CD1 3.93Å; V422-Y519 HydrophobicContact CG1-CE1 4.04Å; V422-F520 HydrophobicContact CB-CB 3.88Å; V422-F520 HydrophobicContact CG1-CB 3.79Å; V422-A523 HydrophobicContact CG1-CB 4.33Å; V422-A523 HydrophobicContact CG2-CB 4.47Å
423	S	95.4	Very high	85.8	Confident	3 Å²	3	15.9 Å²	15.9	2%	0.021	10%	0.104	C	C	.	.			trans	-172.9	141.5	177.6	177.8	0	0	0	0	108.5	H447 L448 E505	S423-H447 PolarHBondContact O-NE2 3.22Å; S423-L448 PolarHBondContact N-O 3.09Å; S423-E505 VanDerWaalsContact CB-O 3.24Å; S423-E505 WeakPolarHBondContact CB-O 3.2Å; S423-E505 PolarHBondContact OG-O 3.48Å
424	D	94.5	Very high	87.1	Confident	2 Å²	2	12.3 Å²	12.3	1%	0.011	7%	0.072	C	C	.	.	S	Bend	trans	-80.5	156.3	167.2	-69.2	10.9	0	0	0	110.5	T426 T450 Y507 I508 S509	D424-T426 PolarHBondContact O-N 3.47Å; D424-T450 VanDerWaalsContact CG-OG1 3.28Å; D424-T450 PolarHBondContact OD1-N 2.82Å; D424-T450 PolarHBondContact OD1-OG1 2.9Å; D424-T450 PolarHBondContact OD2-OG1 2.94Å; D424-Y507 HydrophobicContact CB-CD1 4.1Å; D424-Y507 HydrophobicContact CB-CE1 4.28Å; D424-Y507 PolarHBondContact N-O 2.93Å; D424-Y507 VanDerWaalsContact O-CD1 3.31Å; D424-Y507 WeakPolarHBondContact O-CD1 3.37Å; D424-I508 WeakPolarHBondContact OD2-CG2 3.47Å; D424-S509 VanDerWaalsContact OD2-CB 3.28Å; D424-S509 WeakPolarHBondContact OD2-CB 3.45Å; D424-S509 PolarHBondContact OD2-N 2.83Å; D424-S509 PolarHBondContact OD2-OG 3.13Å
425	C	94.3	Very high	88.4	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	50.1	53.7	163.8	-52.5	0	0	0	0	113.9	W381 R385 D449 Y507	W381-C425 HydrophobicContact CD2-CB 3.75Å; W381-C425 VanDerWaalsContact CE2-CA 3.44Å; W381-C425 HydrophobicContact CE3-CB 4.38Å; W381-C425 HydrophobicContact CG-CB 3.8Å; W381-C425 HydrophobicContact CZ2-CB 4.29Å; R385-C425 HydrophobicContact CG-CB 3.96Å; R385-C425 PolarHBondContact NE-O 2.84Å; R385-C425 PolarHBondContact NH2-O 2.91Å; C425-D449 PolarHBondContact N-OD2 2.94Å; C425-Y507 HydrophobicContact CB-CE1 4.01Å
426	T	94.6	Very high	89.7	Confident	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.			trans	-131.9	152.4	-177.3	-173	0	0	0	0	112.5	Y394 D424 L428 P429 H447 E505	Y394-T426 PolarHBondContact OH-OG1 2.81Å; Y394-T426 VanDerWaalsContact OH-OG1 3.11Å; D424-T426 PolarHBondContact O-N 3.47Å; T426-L428 HydrophobicContact CG2-CB 4.4Å; T426-L428 WeakPolarHBondContact OG1-CB 3.35Å; T426-L428 PolarHBondContact OG1-N 3.23Å; T426-L428 VanDerWaalsContact OG1-N 3.12Å; T426-P429 HydrophobicContact CG2-CG 4.44Å; T426-H447 WeakPolarHBondContact CG2-NE2 3.06Å; T426-E505 WeakPolarHBondContact CB-OE2 3.32Å; T426-E505 PolarHBondContact OG1-OE2 3.17Å
427	Y	93.8	Very high	90.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-100.7	6	168.4	62.5	-116.7	0	0	0	112.9	L182 F185 I196 L389 Y394 P429 F430 L431	L182-Y427 HydrophobicContact CD2-CE1 4.47Å; F185-Y427 WeakPolarHBondContact CZ-OH 3.42Å; I196-Y427 HydrophobicContact CD1-CD2 4.21Å; I196-Y427 HydrophobicContact CD1-CE2 3.9Å; L389-Y427 HydrophobicContact CB-CD1 4.41Å; L389-Y427 HydrophobicContact CB-CE1 3.78Å; L389-Y427 HydrophobicContact CD1-CD1 4.19Å; L389-Y427 HydrophobicContact CD1-CE1 4.38Å; L389-Y427 HydrophobicContact CD2-CD1 4.2Å; L389-Y427 HydrophobicContact CD2-CE1 4.01Å; L389-Y427 HydrophobicContact CG-CE1 4.29Å; L389-Y427 PolarHBondContact O-OH 3.09Å; Y394-Y427 HydrophobicContact CD1-CE2 4.31Å; Y394-Y427 AromaticContact CD1-CZ 3.84Å; Y394-Y427 WeakPolarHBondContact CD1-OH 3.45Å; Y394-Y427 HydrophobicContact CE1-CD2 4.25Å; Y394-Y427 HydrophobicContact CE1-CE1 4.1Å; Y394-Y427 AromaticContact CE1-CE2 3.44Å; Y394-Y427 HydrophobicContact CE1-CE2 3.44Å; Y394-Y427 VanDerWaalsContact CE1-CE2 3.44Å; Y394-Y427 AromaticContact CE1-CZ 3.32Å; Y394-Y427 WeakPolarHBondContact CE1-OH 3.19Å; Y427-P429 VanDerWaalsContact C-CD 3.48Å; Y427-F430 WeakPolarHBondContact O-CB 3.31Å; Y427-F430 PolarHBondContact O-N 2.92Å; Y427-F430 VanDerWaalsContact O-N 3.12Å; Y427-L431 HydrophobicContact CD2-CD1 3.85Å; Y427-L431 HydrophobicContact CD2-CD2 4.49Å; Y427-L431 HydrophobicContact CD2-CG 3.92Å; Y427-L431 HydrophobicContact CE2-CD1 3.7Å; Y427-L431 HydrophobicContact CE2-CG 4.21Å; Y427-L431 PolarHBondContact O-N 2.66Å
428	L	94.7	Very high	91.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-54.8	-41.9	179.1	-178.4	62.9	0	0	0	113.7	F397 I401 I402 V421 T426 F430 L431 L432 I503	F397-L428 HydrophobicContact CZ-CD2 4.38Å; I401-L428 HydrophobicContact CG2-CD1 4.32Å; I402-L428 HydrophobicContact CD1-CD1 3.85Å; I402-L428 HydrophobicContact CG1-CD1 4.18Å; V421-L428 HydrophobicContact CG1-CD2 4.24Å; T426-L428 HydrophobicContact CG2-CB 4.4Å; T426-L428 WeakPolarHBondContact OG1-CB 3.35Å; T426-L428 PolarHBondContact OG1-N 3.23Å; T426-L428 VanDerWaalsContact OG1-N 3.12Å; L428-F430 VanDerWaalsContact C-N 3.31Å; L428-F430 PolarHBondContact O-N 2.89Å; L428-L431 PolarHBondContact O-N 3.28Å; L428-L432 HydrophobicContact CG-CD1 4.11Å; L428-L432 PolarHBondContact O-N 2.88Å; L428-I503 HydrophobicContact CD2-CG2 3.84Å
429	P	94	Very high	91	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-40.8	176.2	-22.6	32.1	0	0	0	112.6	V421 T426 Y427 L431 L432 G433 L445 H447 I472	V421-P429 HydrophobicContact CB-CG 3.99Å; V421-P429 HydrophobicContact CG1-CG 3.91Å; V421-P429 HydrophobicContact CG2-CG 4.17Å; T426-P429 HydrophobicContact CG2-CG 4.44Å; Y427-P429 VanDerWaalsContact C-CD 3.48Å; P429-L431 VanDerWaalsContact C-N 3.33Å; P429-L431 PolarHBondContact O-N 3.14Å; P429-L432 PolarHBondContact O-N 3.34Å; P429-G433 PolarHBondContact O-N 2.85Å; P429-L445 HydrophobicContact CB-CD2 3.77Å; P429-L445 HydrophobicContact CB-CG 4.46Å; P429-L445 WeakPolarHBondContact O-CD2 3.34Å; P429-H447 HydrophobicContact CB-CB 4.24Å; P429-H447 HydrophobicContact CG-CB 3.89Å; P429-H447 VanDerWaalsContact CG-CG 3.48Å; P429-I472 HydrophobicContact CB-CG2 3.93Å; P429-I472 WeakPolarHBondContact O-CD1 3.36Å
430	F	92.4	Very high	90.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.8	-45.1	176	165.1	-97.8	0	0	0	111.6	I194 E198 F199 Y427 L428 G433 K434 Y465	I194-F430 HydrophobicContact CG2-CE1 3.61Å; I194-F430 HydrophobicContact CG2-CZ 4.03Å; E198-F430 HydrophobicContact CB-CE2 4.35Å; E198-F430 HydrophobicContact CB-CZ 3.8Å; F199-F430 HydrophobicContact CB-CD1 4.09Å; F199-F430 HydrophobicContact CB-CE1 4.1Å; F199-F430 HydrophobicContact CB-CG 4.38Å; F199-F430 HydrophobicContact CB-CZ 4.39Å; F199-F430 HydrophobicContact CD2-CB 3.86Å; F199-F430 HydrophobicContact CD2-CD1 4.23Å; F199-F430 HydrophobicContact CD2-CD2 4.32Å; F199-F430 AromaticContact CD2-CG 3.88Å; F199-F430 HydrophobicContact CD2-CG 3.88Å; F199-F430 HydrophobicContact CE2-CB 4.34Å; Y427-F430 WeakPolarHBondContact O-CB 3.31Å; Y427-F430 PolarHBondContact O-N 2.92Å; Y427-F430 VanDerWaalsContact O-N 3.12Å; L428-F430 VanDerWaalsContact C-N 3.31Å; L428-F430 PolarHBondContact O-N 2.89Å; F430-G433 PolarHBondContact O-N 3Å; F430-K434 HydrophobicContact CE2-CG 4.23Å; F430-K434 HydrophobicContact CZ-CG 4.17Å; F430-K434 WeakPolarHBondContact O-CG 3.18Å; F430-K434 PolarHBondContact O-N 3.49Å; F430-Y465 AromaticContact CD2-CD1 3.97Å; F430-Y465 HydrophobicContact CD2-CD1 3.97Å; F430-Y465 HydrophobicContact CD2-CD2 4.31Å; F430-Y465 AromaticContact CD2-CE1 3.51Å; F430-Y465 HydrophobicContact CD2-CE1 3.51Å; F430-Y465 AromaticContact CD2-CE2 3.93Å; F430-Y465 HydrophobicContact CD2-CE2 3.93Å; F430-Y465 HydrophobicContact CD2-CG 4.36Å; F430-Y465 AromaticContact CD2-CZ 3.54Å; F430-Y465 HydrophobicContact CE2-CD1 4.08Å; F430-Y465 HydrophobicContact CE2-CD2 4.33Å; F430-Y465 HydrophobicContact CE2-CE1 4.1Å; F430-Y465 HydrophobicContact CE2-CE2 4.38Å; F430-Y465 HydrophobicContact CE2-CG 4.22Å
431	L	93.3	Very high	89.5	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-45.6	175.8	-63	-177	0	0	0	112.1	I187 I189 I194 I196 I402 Y427 L428 P429 G433 K434 V435	I187-L431 HydrophobicContact CD1-CD1 4.42Å; I187-L431 HydrophobicContact CG2-CD2 3.86Å; I189-L431 HydrophobicContact CD1-CB 4.36Å; I189-L431 HydrophobicContact CD1-CD1 4.18Å; I194-L431 HydrophobicContact CB-CD2 4.35Å; I194-L431 HydrophobicContact CD1-CB 4.45Å; I194-L431 HydrophobicContact CD1-CD2 3.83Å; I194-L431 HydrophobicContact CG2-CD2 3.97Å; I196-L431 HydrophobicContact CD1-CD2 3.76Å; I402-L431 HydrophobicContact CD1-CB 3.63Å; I402-L431 HydrophobicContact CD1-CD1 4.27Å; Y427-L431 HydrophobicContact CD2-CD1 3.85Å; Y427-L431 HydrophobicContact CD2-CD2 4.49Å; Y427-L431 HydrophobicContact CD2-CG 3.92Å; Y427-L431 HydrophobicContact CE2-CD1 3.7Å; Y427-L431 HydrophobicContact CE2-CG 4.21Å; Y427-L431 PolarHBondContact O-N 2.66Å; L428-L431 PolarHBondContact O-N 3.28Å; P429-L431 VanDerWaalsContact C-N 3.33Å; P429-L431 PolarHBondContact O-N 3.14Å; L431-G433 PolarHBondContact O-N 2.86Å; L431-K434 PolarHBondContact O-N 3.12Å; L431-V435 WeakPolarHBondContact O-CG2 3.35Å; L431-V435 PolarHBondContact O-N 2.88Å; L431-V435 VanDerWaalsContact O-N 3.09Å
432	L	92	Very high	88.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.7	-47.5	177.5	-80.4	165.6	0	0	0	111.3	I402 L405 V419 V421 L428 P429 K434 V435 L436 L445 I503	I402-L432 HydrophobicContact CD1-CD2 4.39Å; I402-L432 HydrophobicContact CD1-CG 4.28Å; I402-L432 HydrophobicContact CG1-CD2 3.79Å; I402-L432 HydrophobicContact CG1-CG 4.14Å; I402-L432 HydrophobicContact CG2-CD2 4.29Å; L405-L432 HydrophobicContact CD2-CD2 3.46Å; L405-L432 VanDerWaalsContact CD2-CD2 3.46Å; V419-L432 HydrophobicContact CG1-CD1 4.28Å; V421-L432 HydrophobicContact CG2-CD1 3.49Å; V421-L432 VanDerWaalsContact CG2-CD1 3.49Å; L428-L432 HydrophobicContact CG-CD1 4.11Å; L428-L432 PolarHBondContact O-N 2.88Å; P429-L432 PolarHBondContact O-N 3.34Å; L432-K434 VanDerWaalsContact C-N 3.34Å; L432-K434 PolarHBondContact O-N 3.49Å; L432-V435 PolarHBondContact O-N 2.94Å; L432-L436 HydrophobicContact CB-CD1 4.38Å; L432-L436 VanDerWaalsContact O-CB 3.29Å; L432-L436 WeakPolarHBondContact O-CB 3.49Å; L432-L436 WeakPolarHBondContact O-CG 3.45Å; L432-L436 PolarHBondContact O-N 3.4Å; L432-L445 HydrophobicContact CB-CD1 4.33Å; L432-L445 HydrophobicContact CB-CD2 3.94Å; L432-L445 HydrophobicContact CD1-CD1 4.23Å; L432-I503 HydrophobicContact CD1-CD1 4.42Å
433	G	89.8	Confident	87.8	Confident	5 Å²	5	31.7 Å²	31.7	5%	0.052	16%	0.156	C	C	.	.	H	α-helix	trans	-56.7	-45.6	178.2	0	0	0	0	0	112.7	P429 F430 L431 V435 A437	P429-G433 PolarHBondContact O-N 2.85Å; F430-G433 PolarHBondContact O-N 3Å; L431-G433 PolarHBondContact O-N 2.86Å; G433-V435 VanDerWaalsContact C-N 3.34Å; G433-V435 PolarHBondContact O-N 3.24Å; G433-A437 WeakPolarHBondContact O-CB 3.31Å; G433-A437 PolarHBondContact O-N 3.21Å
434	K	88.8	Confident	87.2	Confident	54 Å²	54	32.9 Å²	32.9	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-35.9	178.1	-69	-77.8	175.6	165.9	0	113.1	I194 E198 F430 L431 L432	I194-K434 HydrophobicContact CD1-CB 3.65Å; I194-K434 HydrophobicContact CD1-CG 4.42Å; I194-K434 HydrophobicContact CG1-CB 4.03Å; I194-K434 HydrophobicContact CG2-CG 4.34Å; E198-K434 WeakPolarHBondContact OE2-CE 3.41Å; E198-K434 IonicContact OE2-NZ 3.44Å; E198-K434 PolarHBondContact OE2-NZ 3.25Å; F430-K434 HydrophobicContact CE2-CG 4.23Å; F430-K434 HydrophobicContact CZ-CG 4.17Å; F430-K434 WeakPolarHBondContact O-CG 3.18Å; F430-K434 PolarHBondContact O-N 3.49Å; L431-K434 PolarHBondContact O-N 3.12Å; L432-K434 VanDerWaalsContact C-N 3.34Å; L432-K434 PolarHBondContact O-N 3.49Å
435	V	90	Very high	87	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-79.8	-46.3	180	174.6	0	0	0	0	111.6	I189 T192 I194 I402 I406 L431 L432 G433 A437 K438 H439	I189-V435 HydrophobicContact CB-CG2 4.04Å; I189-V435 HydrophobicContact CD1-CG2 4.47Å; I189-V435 HydrophobicContact CG2-CG2 4.1Å; T192-V435 HydrophobicContact CG2-CG2 4.43Å; I194-V435 HydrophobicContact CD1-CG2 3.92Å; I402-V435 HydrophobicContact CG2-CB 4.08Å; I402-V435 HydrophobicContact CG2-CG1 3.82Å; I402-V435 HydrophobicContact CG2-CG2 4.07Å; I406-V435 HydrophobicContact CD1-CG1 3.54Å; I406-V435 HydrophobicContact CG1-CG1 3.87Å; L431-V435 WeakPolarHBondContact O-CG2 3.35Å; L431-V435 PolarHBondContact O-N 2.88Å; L431-V435 VanDerWaalsContact O-N 3.09Å; L432-V435 PolarHBondContact O-N 2.94Å; G433-V435 VanDerWaalsContact C-N 3.34Å; G433-V435 PolarHBondContact O-N 3.24Å; V435-A437 VanDerWaalsContact C-N 3.31Å; V435-A437 PolarHBondContact O-N 2.9Å; V435-K438 PolarHBondContact O-N 3.06Å; V435-K438 VanDerWaalsContact O-N 3.17Å; V435-H439 PolarHBondContact O-ND1 2.72Å
436	L	86.1	Confident	86.9	Confident	3 Å²	3	33 Å²	33	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-37.5	-176.6	-70.5	175.4	0	0	0	111.8	L405 L409 F417 V419 L432 K438 H439 V440	L405-L436 HydrophobicContact CD2-CD2 4.35Å; L409-L436 HydrophobicContact CD1-CD2 3.52Å; F417-L436 HydrophobicContact CD1-CD1 4.46Å; F417-L436 HydrophobicContact CD1-CD2 4.06Å; F417-L436 HydrophobicContact CE1-CD2 4.07Å; V419-L436 HydrophobicContact CG2-CD1 4.14Å; L432-L436 HydrophobicContact CB-CD1 4.38Å; L432-L436 VanDerWaalsContact O-CB 3.29Å; L432-L436 WeakPolarHBondContact O-CB 3.49Å; L432-L436 WeakPolarHBondContact O-CG 3.45Å; L432-L436 PolarHBondContact O-N 3.4Å; L436-K438 PolarHBondContact O-N 3.12Å; L436-H439 PolarHBondContact O-N 3.3Å; L436-V440 HydrophobicContact CB-CG2 4.18Å; L436-V440 VanDerWaalsContact O-CG2 3.29Å; L436-V440 WeakPolarHBondContact O-CG2 3.32Å; L436-V440 PolarHBondContact O-N 2.86Å
437	A	82.4	Confident	87	Confident	49 Å²	49	33 Å²	33	41%	0.405	16%	0.161	S	C	.	.	H	α-helix	trans	-52.3	-22.2	175.5	0	0	0	0	0	114.6	G433 V435 S470	G433-A437 WeakPolarHBondContact O-CB 3.31Å; G433-A437 PolarHBondContact O-N 3.21Å; V435-A437 VanDerWaalsContact C-N 3.31Å; V435-A437 PolarHBondContact O-N 2.9Å; A437-S470 WeakPolarHBondContact CB-OG 3.42Å
438	K	82.6	Confident	87	Confident	134 Å²	134	33 Å²	33	58%	0.583	16%	0.161	S	C	*	.	H	α-helix	trans	-96.7	-17.6	177.3	-62.4	-163.4	-168.3	166.8	0	114.8	T192 V435 L436	T192-K438 WeakPolarHBondContact OG1-CD 3.1Å; T192-K438 WeakPolarHBondContact OG1-CE 3.4Å; T192-K438 PolarHBondContact OG1-NZ 3.04Å; V435-K438 PolarHBondContact O-N 3.06Å; V435-K438 VanDerWaalsContact O-N 3.17Å; L436-K438 PolarHBondContact O-N 3.12Å
439	H	80.3	Confident	87	Confident	64 Å²	64	33 Å²	33	30%	0.296	16%	0.161	S	C	.	.	H	α-helix	trans	-109.6	-21.5	-170.1	-66.7	87.6	0	0	0	113	V435 L436	V435-H439 PolarHBondContact O-ND1 2.72Å; L436-H439 PolarHBondContact O-N 3.3Å
440	V	78	Confident	86.9	Confident	22 Å²	22	34.8 Å²	34.8	13%	0.133	17%	0.173	C	C	.	.			trans	-132.9	144.6	-179.1	-65	0	0	0	0	111	L409 F417 L436 K442	L409-V440 HydrophobicContact CD1-CG1 4.38Å; L409-V440 HydrophobicContact CD2-CG1 3.75Å; F417-V440 HydrophobicContact CB-CG1 4.3Å; L436-V440 HydrophobicContact CB-CG2 4.18Å; L436-V440 VanDerWaalsContact O-CG2 3.29Å; L436-V440 WeakPolarHBondContact O-CG2 3.32Å; L436-V440 PolarHBondContact O-N 2.86Å; V440-K442 VanDerWaalsContact C-N 3.33Å
441	E	73.6	Confident	86.9	Confident	174 Å²	174	35.6 Å²	35.6	81%	0.813	18%	0.178	S	C	*	.	S	Bend	trans	-66.2	-36.3	178.9	-68.2	-174.3	173	0	0	112.3
442	K	74.9	Confident	86.8	Confident	143 Å²	143	38.9 Å²	38.9	62%	0.622	20%	0.2	S	C	*	.			trans	-143.4	127.9	176.9	-66.6	-175.3	-178.7	178.5	0	110.6	L416 F417 V440	L416-K442 HydrophobicContact CD1-CB 3.97Å; F417-K442 PolarHBondContact N-O 2.91Å; V440-K442 VanDerWaalsContact C-N 3.33Å
443	S	79.2	Confident	86.8	Confident	12 Å²	12	42.1 Å²	42.1	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.5	171.3	58.4	0	0	0	0	110.9	F417 S470	F417-S443 CarbonylContact O-C 3.45Å; F417-S443 VanDerWaalsContact O-CA 3.26Å; F417-S443 WeakPolarHBondContact O-CA 3.32Å; S443-S470 PolarHBondContact OG-OG 2.59Å
444	Q	83	Confident	87	Confident	27 Å²	27	41.9 Å²	41.9	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.2	163.1	-170.3	174	13.5	0	0	108.1	F417 N418 V419 I446 E473 R484	F417-Q444 PolarHBondContact O-N 2.83Å; N418-Q444 WeakPolarHBondContact CA-O 3.29Å; V419-Q444 PolarHBondContact N-O 2.86Å; Q444-I446 HydrophobicContact CG-CD1 4.47Å; Q444-I446 HydrophobicContact CG-CG1 4.27Å; Q444-E473 PolarHBondContact NE2-OE2 3.31Å; Q444-R484 PolarHBondContact NE2-O 2.84Å
445	L	90	Very high	87.2	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119	175.1	-174.7	68	0	0	0	109.1	V419 V421 P429 L432 I471 I472 E473	V419-L445 HydrophobicContact CB-CD1 3.51Å; V419-L445 HydrophobicContact CG1-CD1 3.54Å; V419-L445 WeakPolarHBondContact O-CA 3.44Å; V421-L445 HydrophobicContact CG2-CD1 3.94Å; P429-L445 HydrophobicContact CB-CD2 3.77Å; P429-L445 HydrophobicContact CB-CG 4.46Å; P429-L445 WeakPolarHBondContact O-CD2 3.34Å; L432-L445 HydrophobicContact CB-CD1 4.33Å; L432-L445 HydrophobicContact CB-CD2 3.94Å; L432-L445 HydrophobicContact CD1-CD1 4.23Å; L445-I471 PolarHBondContact N-O 3.07Å; L445-I472 HydrophobicContact CB-CG1 4.24Å; L445-I472 HydrophobicContact CD2-CB 4.4Å; L445-I472 HydrophobicContact CD2-CD1 3.52Å; L445-I472 HydrophobicContact CD2-CG1 3.71Å; L445-I472 HydrophobicContact CD2-CG2 3.98Å; L445-I472 HydrophobicContact CG-CG1 4.41Å; L445-I472 HydrophobicContact CG-CG2 4.27Å; L445-I472 WeakPolarHBondContact O-CA 3.48Å; L445-E473 PolarHBondContact O-N 3.34Å
446	I	92.3	Very high	87.3	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.9	176.3	-62.5	169	0	0	0	107.8	V419 L420 V421 Q444 E473 C475 V481 R484 M485	V419-I446 PolarHBondContact O-N 2.99Å; L420-I446 CarbonylContact C-O 3.55Å; L420-I446 WeakPolarHBondContact CA-O 3.2Å; L420-I446 HydrophobicContact CD1-CB 4.02Å; L420-I446 HydrophobicContact CD1-CG2 3.71Å; V421-I446 PolarHBondContact N-O 2.73Å; Q444-I446 HydrophobicContact CG-CD1 4.47Å; Q444-I446 HydrophobicContact CG-CG1 4.27Å; I446-E473 CarbonylContact C-O 3.43Å; I446-E473 WeakPolarHBondContact CA-O 3Å; I446-C475 HydrophobicContact CG2-CB 4.34Å; I446-C475 WeakPolarHBondContact CG2-SG 3.32Å; I446-V481 HydrophobicContact CG2-CG2 4.16Å; I446-R484 HydrophobicContact CD1-CB 4.47Å; I446-M485 HydrophobicContact CD1-CE 3.67Å; I446-M485 HydrophobicContact CD1-CG 3.41Å; I446-M485 VanDerWaalsContact CD1-CG 3.41Å; I446-M485 HydrophobicContact CD1-SD 4.47Å
447	H	95.1	Very high	87.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111	176.6	-178.9	-157.1	0	0	0	109.9	S423 T426 P429 L458 Y462 E473 S474 C475	S423-H447 PolarHBondContact O-NE2 3.22Å; T426-H447 WeakPolarHBondContact CG2-NE2 3.06Å; P429-H447 HydrophobicContact CB-CB 4.24Å; P429-H447 HydrophobicContact CG-CB 3.89Å; P429-H447 VanDerWaalsContact CG-CG 3.48Å; H447-L458 VanDerWaalsContact CE1-CD1 3.43Å; H447-L458 WeakPolarHBondContact CE1-CD1 3.49Å; H447-Y462 HydrophobicContact CB-CE2 4.25Å; H447-Y462 AromaticContact ND1-CE2 3.84Å; H447-Y462 AromaticContact ND1-CZ 3.83Å; H447-Y462 PolarHBondContact ND1-OH 2.79Å; H447-E473 PolarHBondContact N-O 2.8Å; H447-S474 CarbonylContact O-C 3.58Å; H447-S474 VanDerWaalsContact O-CA 3.31Å; H447-S474 WeakPolarHBondContact O-CA 3.45Å; H447-C475 PolarHBondContact O-N 2.66Å
448	L	95.3	Very high	88.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104	171.6	177.9	61.3	0	0	0	109.5	L420 V421 V422 S423 C475 I478 V481 Y519 A523	L420-L448 HydrophobicContact CD1-CB 4.07Å; V421-L448 PolarHBondContact O-N 2.87Å; V422-L448 HydrophobicContact CG1-CB 4.43Å; V422-L448 HydrophobicContact CG1-CD2 3.92Å; V422-L448 HydrophobicContact CG1-CG 4.27Å; V422-L448 HydrophobicContact CG2-CB 4.24Å; V422-L448 HydrophobicContact CG2-CD2 4.11Å; S423-L448 PolarHBondContact N-O 3.09Å; L448-C475 WeakPolarHBondContact CA-O 3.14Å; L448-C475 HydrophobicContact CD1-CB 4.23Å; L448-I478 HydrophobicContact CD2-CD1 3.49Å; L448-I478 VanDerWaalsContact CD2-CD1 3.49Å; L448-I478 HydrophobicContact CD2-CG1 4.38Å; L448-V481 HydrophobicContact CB-CG2 4.41Å; L448-V481 HydrophobicContact CD1-CG2 4.37Å; L448-Y519 HydrophobicContact CD2-CE1 3.99Å; L448-Y519 HydrophobicContact CG-CE1 4.4Å; L448-A523 HydrophobicContact CD2-CB 4.19Å
449	D	94.8	Very high	88.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.			trans	-116.5	119.4	171.1	-178.7	-34.2	0	0	0	107.1	C425 S451 S454 C455 L458 C475 Q476	C425-D449 PolarHBondContact N-OD2 2.94Å; D449-S451 PolarHBondContact O-N 2.97Å; D449-S451 VanDerWaalsContact OD1-CB 3.3Å; D449-S451 WeakPolarHBondContact OD1-CB 3.22Å; D449-S451 PolarHBondContact OD1-N 3.1Å; D449-S454 WeakPolarHBondContact OD1-CB 3.44Å; D449-S454 VanDerWaalsContact OD2-CB 3.22Å; D449-S454 WeakPolarHBondContact OD2-CB 3.4Å; D449-S454 PolarHBondContact OD2-OG 3.36Å; D449-C455 PolarHBondContact O-SG 3.25Å; D449-L458 HydrophobicContact CB-CD1 4.36Å; D449-L458 WeakPolarHBondContact OD2-CD1 3.22Å; D449-C475 PolarHBondContact N-O 3.26Å; D449-C475 VanDerWaalsContact O-O 3.13Å; D449-Q476 WeakPolarHBondContact O-CA 3.25Å
450	T	92.2	Very high	88.9	Confident	38 Å²	38	40 Å²	40	23%	0.233	21%	0.206	C	C	.	.	S	Bend	trans	-77.1	-8.7	-173.1	65	0	0	0	0	113.1	D424 P452 Y519	D424-T450 VanDerWaalsContact CG-OG1 3.28Å; D424-T450 PolarHBondContact OD1-N 2.82Å; D424-T450 PolarHBondContact OD1-OG1 2.9Å; D424-T450 PolarHBondContact OD2-OG1 2.94Å; T450-P452 VanDerWaalsContact O-CD 3.29Å; T450-P452 WeakPolarHBondContact O-CD 3.34Å; T450-Y519 HydrophobicContact CG2-CD1 3.84Å; T450-Y519 HydrophobicContact CG2-CE1 3.22Å; T450-Y519 HydrophobicContact CG2-CE2 4.32Å; T450-Y519 VanDerWaalsContact CG2-CZ 3.49Å
451	S	91.9	Very high	89.5	Confident	17 Å²	17	39.2 Å²	39.2	12%	0.119	20%	0.201	C	C	.	.			trans	-88.8	110.9	176.5	175.2	0	0	0	0	110.6	D449 S453 S454 C455	D449-S451 PolarHBondContact O-N 2.97Å; D449-S451 VanDerWaalsContact OD1-CB 3.3Å; D449-S451 WeakPolarHBondContact OD1-CB 3.22Å; D449-S451 PolarHBondContact OD1-N 3.1Å; S451-S453 PolarHBondContact O-N 3.37Å; S451-S454 WeakPolarHBondContact O-CB 3.28Å; S451-S454 PolarHBondContact O-N 2.88Å; S451-S454 PolarHBondContact OG-N 2.81Å; S451-C455 PolarHBondContact O-N 3.42Å
452	P	91.3	Very high	90.3	Very high	69 Å²	69	31.1 Å²	31.1	45%	0.448	16%	0.163	S	C	.	.	H	α-helix	trans	-57.7	-38.3	-180	-26.6	36.8	0	0	0	112.7	T450 S454 C455 L456	T450-P452 VanDerWaalsContact O-CD 3.29Å; T450-P452 WeakPolarHBondContact O-CD 3.34Å; P452-S454 VanDerWaalsContact C-N 3.31Å; P452-S454 PolarHBondContact O-N 3.41Å; P452-C455 PolarHBondContact O-N 2.8Å; P452-L456 WeakPolarHBondContact O-CG 3.43Å; P452-L456 PolarHBondContact O-N 2.86Å
453	S	91.9	Very high	90.8	Very high	68 Å²	68	31.6 Å²	31.6	48%	0.476	17%	0.168	S	C	.	.	H	α-helix	trans	-69.3	-29.9	177.8	-54.1	0	0	0	0	112.4	S451 L457	S451-S453 PolarHBondContact O-N 3.37Å; S453-L457 PolarHBondContact O-N 2.67Å
454	S	94	Very high	91	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73.6	-42.5	177.4	-172	0	0	0	0	110.1	W381 D449 S451 P452 L456 L457 L458	W381-S454 PolarHBondContact NE1-OG 2.96Å; D449-S454 WeakPolarHBondContact OD1-CB 3.44Å; D449-S454 VanDerWaalsContact OD2-CB 3.22Å; D449-S454 WeakPolarHBondContact OD2-CB 3.4Å; D449-S454 PolarHBondContact OD2-OG 3.36Å; S451-S454 WeakPolarHBondContact O-CB 3.28Å; S451-S454 PolarHBondContact O-N 2.88Å; S451-S454 PolarHBondContact OG-N 2.81Å; P452-S454 VanDerWaalsContact C-N 3.31Å; P452-S454 PolarHBondContact O-N 3.41Å; S454-L456 VanDerWaalsContact C-N 3.33Å; S454-L456 PolarHBondContact O-N 3.38Å; S454-L457 WeakPolarHBondContact O-CB 3.29Å; S454-L457 PolarHBondContact O-N 3.45Å; S454-L458 WeakPolarHBondContact O-CB 3.37Å; S454-L458 VanDerWaalsContact O-CG 3.29Å; S454-L458 WeakPolarHBondContact O-CG 3.29Å; S454-L458 PolarHBondContact O-N 2.91Å
455	C	93.6	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.3	-45.3	173.3	-73.7	0	0	0	0	112.5	D449 S451 P452 L457 L458 D459 Q476	D449-C455 PolarHBondContact O-SG 3.25Å; S451-C455 PolarHBondContact O-N 3.42Å; P452-C455 PolarHBondContact O-N 2.8Å; C455-L457 VanDerWaalsContact C-N 3.32Å; C455-L457 PolarHBondContact O-N 2.79Å; C455-L458 PolarHBondContact O-N 2.77Å; C455-L458 VanDerWaalsContact O-N 3.15Å; C455-D459 WeakPolarHBondContact O-CB 3.41Å; C455-D459 VanDerWaalsContact O-CG 3.24Å; C455-D459 PolarHBondContact O-N 3.3Å; C455-Q476 HydrophobicContact CB-CG 3.96Å
456	L	91.6	Very high	89.7	Confident	114 Å²	114	37.2 Å²	37.2	60%	0.597	21%	0.206	S	C	*	.	H	α-helix	trans	-60.5	-38.4	178.1	-70	174.4	0	0	0	113.6	P452 S454 R460	P452-L456 WeakPolarHBondContact O-CG 3.43Å; P452-L456 PolarHBondContact O-N 2.86Å; S454-L456 VanDerWaalsContact C-N 3.33Å; S454-L456 PolarHBondContact O-N 3.38Å; L456-R460 PolarHBondContact O-N 2.83Å
457	L	92.2	Very high	88.3	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-48.4	173.8	168.7	66	0	0	0	110.6	C375 D376 L377 S453 S454 C455 R460 I461	C375-L457 WeakPolarHBondContact O-CD1 3.27Å; D376-L457 HydrophobicContact CB-CD1 4.5Å; L377-L457 HydrophobicContact CB-CD2 3.79Å; L377-L457 HydrophobicContact CD1-CD2 4.44Å; L377-L457 HydrophobicContact CG-CD2 4.27Å; S453-L457 PolarHBondContact O-N 2.67Å; S454-L457 WeakPolarHBondContact O-CB 3.29Å; S454-L457 PolarHBondContact O-N 3.45Å; C455-L457 VanDerWaalsContact C-N 3.32Å; C455-L457 PolarHBondContact O-N 2.79Å; L457-R460 PolarHBondContact O-N 3.22Å; L457-I461 HydrophobicContact CD1-CD1 3.93Å; L457-I461 HydrophobicContact CD1-CG1 4.44Å; L457-I461 HydrophobicContact CG-CD1 3.96Å; L457-I461 WeakPolarHBondContact O-CG1 3.35Å; L457-I461 PolarHBondContact O-N 3.46Å; L457-I461 VanDerWaalsContact O-N 3.13Å
458	L	92.7	Very high	86.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-38.5	-176.9	-73	170.3	0	0	0	112.2	F199 W381 H447 D449 S454 C455 R460 I461 Y462	F199-L458 HydrophobicContact CE2-CD2 4.08Å; F199-L458 HydrophobicContact CZ-CD2 3.9Å; W381-L458 HydrophobicContact CH2-CD2 4.49Å; W381-L458 HydrophobicContact CZ2-CD2 3.92Å; W381-L458 HydrophobicContact CZ2-CG 4.39Å; H447-L458 VanDerWaalsContact CE1-CD1 3.43Å; H447-L458 WeakPolarHBondContact CE1-CD1 3.49Å; D449-L458 HydrophobicContact CB-CD1 4.36Å; D449-L458 WeakPolarHBondContact OD2-CD1 3.22Å; S454-L458 WeakPolarHBondContact O-CB 3.37Å; S454-L458 VanDerWaalsContact O-CG 3.29Å; S454-L458 WeakPolarHBondContact O-CG 3.29Å; S454-L458 PolarHBondContact O-N 2.91Å; C455-L458 PolarHBondContact O-N 2.77Å; C455-L458 VanDerWaalsContact O-N 3.15Å; L458-R460 PolarHBondContact O-N 3.03Å; L458-I461 CarbonylContact O-C 3.6Å; L458-I461 PolarHBondContact O-N 2.88Å; L458-I461 VanDerWaalsContact O-N 3.16Å; L458-Y462 HydrophobicContact CB-CD2 4.47Å; L458-Y462 HydrophobicContact CB-CE2 4.05Å; L458-Y462 HydrophobicContact CD2-CE1 4.07Å; L458-Y462 WeakPolarHBondContact O-CB 3.47Å; L458-Y462 WeakPolarHBondContact O-CD1 3.31Å; L458-Y462 PolarHBondContact O-N 3.12Å
459	D	91.5	Very high	84.7	Confident	50 Å²	50	49.6 Å²	49.6	27%	0.267	30%	0.296	S	S	.	.	H	α-helix	trans	-58.5	-48.4	175.2	-75.6	-23.3	0	0	0	110.9	C455 I461 Y462 E463 S474	C455-D459 WeakPolarHBondContact O-CB 3.41Å; C455-D459 VanDerWaalsContact O-CG 3.24Å; C455-D459 PolarHBondContact O-N 3.3Å; D459-I461 VanDerWaalsContact C-N 3.27Å; D459-I461 PolarHBondContact O-N 2.96Å; D459-Y462 PolarHBondContact O-N 3.13Å; D459-Y462 VanDerWaalsContact O-N 3.17Å; D459-E463 WeakPolarHBondContact O-CB 3.25Å; D459-E463 VanDerWaalsContact O-CG 3.29Å; D459-E463 WeakPolarHBondContact O-CG 3.46Å; D459-E463 PolarHBondContact O-N 2.84Å; D459-S474 WeakPolarHBondContact OD1-CB 3.38Å; D459-S474 PolarHBondContact OD1-OG 3.04Å; D459-S474 PolarHBondContact OD2-OG 3.48Å
460	R	88.9	Confident	83.5	Confident	98 Å²	98	49.8 Å²	49.8	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-41.8	175.6	-167.3	-169.6	-52.2	163.6	12.2	111.5	E203 D376 L456 L457 L458 S464	E203-R460 IonicContact OE2-NH1 2.65Å; E203-R460 PolarHBondContact OE2-NH1 2.83Å; D376-R460 IonicContact OD2-CZ 2.77Å; D376-R460 IonicContact OD2-NH1 3.92Å; D376-R460 IonicContact OD2-NH2 3.34Å; D376-R460 PolarHBondContact OD2-NH2 3.31Å; L456-R460 PolarHBondContact O-N 2.83Å; L457-R460 PolarHBondContact O-N 3.22Å; L458-R460 PolarHBondContact O-N 3.03Å; R460-S464 PolarHBondContact O-N 2.86Å
461	I	89.7	Confident	82.9	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-46.5	177.6	-64.9	168.9	0	0	0	110.1	F199 I204 L457 L458 D459 S464 Y465	F199-I461 HydrophobicContact CD2-CG2 3.81Å; F199-I461 HydrophobicContact CE1-CD1 4.17Å; F199-I461 HydrophobicContact CE2-CD1 4.22Å; F199-I461 HydrophobicContact CE2-CG2 3.91Å; F199-I461 HydrophobicContact CG-CG2 4.44Å; F199-I461 HydrophobicContact CZ-CD1 3.89Å; I204-I461 HydrophobicContact CD1-CD1 4.21Å; L457-I461 HydrophobicContact CD1-CD1 3.93Å; L457-I461 HydrophobicContact CD1-CG1 4.44Å; L457-I461 HydrophobicContact CG-CD1 3.96Å; L457-I461 WeakPolarHBondContact O-CG1 3.35Å; L457-I461 PolarHBondContact O-N 3.46Å; L457-I461 VanDerWaalsContact O-N 3.13Å; L458-I461 CarbonylContact O-C 3.6Å; L458-I461 PolarHBondContact O-N 2.88Å; L458-I461 VanDerWaalsContact O-N 3.16Å; D459-I461 VanDerWaalsContact C-N 3.27Å; D459-I461 PolarHBondContact O-N 2.96Å; I461-S464 PolarHBondContact O-N 3.25Å; I461-S464 PolarHBondContact O-OG 3.05Å; I461-Y465 HydrophobicContact CG2-CD1 4.49Å; I461-Y465 HydrophobicContact CG2-CE1 4.19Å; I461-Y465 WeakPolarHBondContact O-CD1 3.47Å; I461-Y465 WeakPolarHBondContact O-CE1 3.34Å
462	Y	90.3	Very high	82.8	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-39.2	-177	-65	-8.3	0	0	0	112.7	F199 H447 L458 D459 S464 Y465 S466 I472	F199-Y462 HydrophobicContact CE2-CE1 4.45Å; H447-Y462 HydrophobicContact CB-CE2 4.25Å; H447-Y462 AromaticContact ND1-CE2 3.84Å; H447-Y462 AromaticContact ND1-CZ 3.83Å; H447-Y462 PolarHBondContact ND1-OH 2.79Å; L458-Y462 HydrophobicContact CB-CD2 4.47Å; L458-Y462 HydrophobicContact CB-CE2 4.05Å; L458-Y462 HydrophobicContact CD2-CE1 4.07Å; L458-Y462 WeakPolarHBondContact O-CB 3.47Å; L458-Y462 WeakPolarHBondContact O-CD1 3.31Å; L458-Y462 PolarHBondContact O-N 3.12Å; D459-Y462 PolarHBondContact O-N 3.13Å; D459-Y462 VanDerWaalsContact O-N 3.17Å; Y462-S464 VanDerWaalsContact C-N 3.27Å; Y462-S464 PolarHBondContact O-N 3.17Å; Y462-Y465 VanDerWaalsContact CA-CE1 3.47Å; Y462-Y465 AromaticContact CD1-CE1 3.68Å; Y462-Y465 HydrophobicContact CD1-CE1 3.68Å; Y462-Y465 AromaticContact CD1-CZ 3.79Å; Y462-Y465 WeakPolarHBondContact CD1-OH 3.26Å; Y462-Y465 HydrophobicContact CG-CE1 4.44Å; Y462-Y465 PolarHBondContact O-N 3Å; Y462-S466 PolarHBondContact O-N 3.29Å; Y462-S466 PolarHBondContact O-OG 3.05Å; Y462-I472 HydrophobicContact CD1-CG2 4.47Å; Y462-I472 HydrophobicContact CD2-CB 3.95Å; Y462-I472 HydrophobicContact CD2-CG2 3.5Å; Y462-I472 VanDerWaalsContact CD2-CG2 3.5Å; Y462-I472 HydrophobicContact CE1-CG2 4.38Å; Y462-I472 HydrophobicContact CE2-CB 4.34Å; Y462-I472 HydrophobicContact CE2-CG2 3.4Å; Y462-I472 HydrophobicContact CG-CB 4.1Å; Y462-I472 HydrophobicContact CG-CG2 4.05Å
463	E	86.1	Confident	82.7	Confident	153 Å²	153	51.8 Å²	51.8	72%	0.715	30%	0.299	S	S	*	.	H	α-helix	trans	-59.7	-38.2	172	-75.3	177.6	175.5	0	0	111.8	D459 Y465	D459-E463 WeakPolarHBondContact O-CB 3.25Å; D459-E463 VanDerWaalsContact O-CG 3.29Å; D459-E463 WeakPolarHBondContact O-CG 3.46Å; D459-E463 PolarHBondContact O-N 2.84Å; E463-Y465 VanDerWaalsContact C-N 3.33Å; E463-Y465 PolarHBondContact O-N 3.12Å
464	S	82.6	Confident	82.7	Confident	72 Å²	72	48.7 Å²	48.7	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-22.4	-174.9	77.7	0	0	0	0	115.1	R460 I461 Y462	R460-S464 PolarHBondContact O-N 2.86Å; I461-S464 PolarHBondContact O-N 3.25Å; I461-S464 PolarHBondContact O-OG 3.05Å; Y462-S464 VanDerWaalsContact C-N 3.27Å; Y462-S464 PolarHBondContact O-N 3.17Å
465	Y	77.9	Confident	82.7	Confident	30 Å²	30	48.7 Å²	48.7	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-122.4	1.9	179.9	73.4	-94.9	0	0	0	115.2	F430 I461 Y462 E463 T467 I472	F430-Y465 AromaticContact CD2-CD1 3.97Å; F430-Y465 HydrophobicContact CD2-CD1 3.97Å; F430-Y465 HydrophobicContact CD2-CD2 4.31Å; F430-Y465 AromaticContact CD2-CE1 3.51Å; F430-Y465 HydrophobicContact CD2-CE1 3.51Å; F430-Y465 AromaticContact CD2-CE2 3.93Å; F430-Y465 HydrophobicContact CD2-CE2 3.93Å; F430-Y465 HydrophobicContact CD2-CG 4.36Å; F430-Y465 AromaticContact CD2-CZ 3.54Å; F430-Y465 HydrophobicContact CE2-CD1 4.08Å; F430-Y465 HydrophobicContact CE2-CD2 4.33Å; F430-Y465 HydrophobicContact CE2-CE1 4.1Å; F430-Y465 HydrophobicContact CE2-CE2 4.38Å; F430-Y465 HydrophobicContact CE2-CG 4.22Å; I461-Y465 HydrophobicContact CG2-CD1 4.49Å; I461-Y465 HydrophobicContact CG2-CE1 4.19Å; I461-Y465 WeakPolarHBondContact O-CD1 3.47Å; I461-Y465 WeakPolarHBondContact O-CE1 3.34Å; Y462-Y465 VanDerWaalsContact CA-CE1 3.47Å; Y462-Y465 AromaticContact CD1-CE1 3.68Å; Y462-Y465 HydrophobicContact CD1-CE1 3.68Å; Y462-Y465 AromaticContact CD1-CZ 3.79Å; Y462-Y465 WeakPolarHBondContact CD1-OH 3.26Å; Y462-Y465 HydrophobicContact CG-CE1 4.44Å; Y462-Y465 PolarHBondContact O-N 3Å; E463-Y465 VanDerWaalsContact C-N 3.33Å; E463-Y465 PolarHBondContact O-N 3.12Å; Y465-T467 WeakPolarHBondContact O-CG2 3.21Å; Y465-T467 PolarHBondContact O-N 3.38Å; Y465-I472 HydrophobicContact CE2-CD1 3.95Å; Y465-I472 WeakPolarHBondContact OH-CD1 3.38Å
466	S	68.4	Low	82.6	Confident	57 Å²	57	52 Å²	52	40%	0.399	29%	0.292	S	S	.	.			trans	-52.9	106	179.2	-75.3	0	0	0	0	111	Y462	Y462-S466 PolarHBondContact O-N 3.29Å; Y462-S466 PolarHBondContact O-OG 3.05Å
467	T	62.2	Low	82.5	Confident	86 Å²	86	48 Å²	48	53%	0.528	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-93.3	161.1	178	50.6	0	0	0	0	111	Y465 G469 S470	Y465-T467 WeakPolarHBondContact O-CG2 3.21Å; Y465-T467 PolarHBondContact O-N 3.38Å; T467-G469 VanDerWaalsContact C-N 3.34Å; T467-G469 PolarHBondContact O-N 3.13Å; T467-S470 PolarHBondContact O-N 3.12Å
468	S	53.7	Low	82.2	Confident	132 Å²	132	48 Å²	48	92%	0.923	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	86.1	175.6	58.4	0	0	0	0	111.9
469	G	62.1	Low	82	Confident	44 Å²	44	53.9 Å²	53.9	45%	0.454	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	148.5	-20.3	174.2	0	0	0	0	0	116.3	T467	T467-G469 VanDerWaalsContact C-N 3.34Å; T467-G469 PolarHBondContact O-N 3.13Å
470	S	69.5	Low	81.9	Confident	5 Å²	5	54.1 Å²	54.1	4%	0.035	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	113.2	177.9	-61.9	0	0	0	0	109.9	A437 S443 T467	A437-S470 WeakPolarHBondContact CB-OG 3.42Å; S443-S470 PolarHBondContact OG-OG 2.59Å; T467-S470 PolarHBondContact O-N 3.12Å
471	I	79.1	Confident	81.8	Confident	99 Å²	99	49.5 Å²	49.5	51%	0.508	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.4	175	-57	173.7	0	0	0	106.9	L445 E473	L445-I471 PolarHBondContact N-O 3.07Å; I471-E473 HydrophobicContact CG2-CG 3.83Å
472	I	89.3	Confident	81.5	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.046	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.7	174.6	-52	-170.8	0	0	0	106.9	P429 L445 Y462 Y465	P429-I472 HydrophobicContact CB-CG2 3.93Å; P429-I472 WeakPolarHBondContact O-CD1 3.36Å; L445-I472 HydrophobicContact CB-CG1 4.24Å; L445-I472 HydrophobicContact CD2-CB 4.4Å; L445-I472 HydrophobicContact CD2-CD1 3.52Å; L445-I472 HydrophobicContact CD2-CG1 3.71Å; L445-I472 HydrophobicContact CD2-CG2 3.98Å; L445-I472 HydrophobicContact CG-CG1 4.41Å; L445-I472 HydrophobicContact CG-CG2 4.27Å; L445-I472 WeakPolarHBondContact O-CA 3.48Å; Y462-I472 HydrophobicContact CD1-CG2 4.47Å; Y462-I472 HydrophobicContact CD2-CB 3.95Å; Y462-I472 HydrophobicContact CD2-CG2 3.5Å; Y462-I472 VanDerWaalsContact CD2-CG2 3.5Å; Y462-I472 HydrophobicContact CE1-CG2 4.38Å; Y462-I472 HydrophobicContact CE2-CB 4.34Å; Y462-I472 HydrophobicContact CE2-CG2 3.4Å; Y462-I472 HydrophobicContact CG-CB 4.1Å; Y462-I472 HydrophobicContact CG-CG2 4.05Å; Y465-I472 HydrophobicContact CE2-CD1 3.95Å; Y465-I472 WeakPolarHBondContact OH-CD1 3.38Å
473	E	90.2	Very high	81.1	Confident	58 Å²	58	55.8 Å²	55.8	27%	0.271	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120	-177.9	-59.7	178.7	140.8	0	0	108.8	Q444 L445 I446 H447 I471	Q444-E473 PolarHBondContact NE2-OE2 3.31Å; L445-E473 PolarHBondContact O-N 3.34Å; I446-E473 CarbonylContact C-O 3.43Å; I446-E473 WeakPolarHBondContact CA-O 3Å; H447-E473 PolarHBondContact N-O 2.8Å; I471-E473 HydrophobicContact CG2-CG 3.83Å
474	S	91.9	Very high	80.9	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	150.3	171.4	85.2	0	0	0	0	111	H447 D459 R484	H447-S474 CarbonylContact O-C 3.58Å; H447-S474 VanDerWaalsContact O-CA 3.31Å; H447-S474 WeakPolarHBondContact O-CA 3.45Å; D459-S474 WeakPolarHBondContact OD1-CB 3.38Å; D459-S474 PolarHBondContact OD1-OG 3.04Å; D459-S474 PolarHBondContact OD2-OG 3.48Å; S474-R484 PolarHBondContact O-NE 2.74Å; S474-R484 VanDerWaalsContact O-NE 3.09Å; S474-R484 PolarHBondContact O-NH2 2.83Å
475	C	92.8	Very high	80.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.7	175.6	-68	0	0	0	0	108.9	I446 H447 L448 D449 E480 V481 R484	I446-C475 HydrophobicContact CG2-CB 4.34Å; I446-C475 WeakPolarHBondContact CG2-SG 3.32Å; H447-C475 PolarHBondContact O-N 2.66Å; L448-C475 WeakPolarHBondContact CA-O 3.14Å; L448-C475 HydrophobicContact CD1-CB 4.23Å; D449-C475 PolarHBondContact N-O 3.26Å; D449-C475 VanDerWaalsContact O-O 3.13Å; C475-E480 WeakPolarHBondContact CA-OE2 3.37Å; C475-E480 HydrophobicContact CB-CB 4.14Å; C475-V481 HydrophobicContact CB-CG2 3.85Å; C475-R484 WeakPolarHBondContact SG-CD 3.33Å; C475-R484 PolarHBondContact SG-NH1 3.19Å
476	Q	91.2	Very high	79.7	Confident	68 Å²	68	50.3 Å²	50.3	32%	0.318	29%	0.29	S	S	.	.	S	Bend	trans	-103	-16.8	176.2	-66.3	170.8	45.3	0	0	113.4	D449 C455 E480	D449-Q476 WeakPolarHBondContact O-CA 3.25Å; C455-Q476 HydrophobicContact CB-CG 3.96Å; Q476-E480 PolarHBondContact N-OE2 2.92Å
477	S	89.9	Confident	79	Confident	31 Å²	31	52.3 Å²	52.3	22%	0.217	30%	0.302	C	S	.	.	S	Bend	trans	-144.5	166.8	-177.4	91.3	0	0	0	0	112.4	E479 E480 V481	S477-E479 VanDerWaalsContact C-N 3.34Å; S477-E479 WeakPolarHBondContact CB-OE2 3.31Å; S477-E479 PolarHBondContact OG-N 3.01Å; S477-E479 PolarHBondContact OG-OE2 3.36Å; S477-E480 VanDerWaalsContact O-CB 3.31Å; S477-E480 WeakPolarHBondContact O-CB 3.39Å; S477-E480 PolarHBondContact O-N 3.28Å; S477-E480 PolarHBondContact OG-N 2.98Å; S477-V481 WeakPolarHBondContact O-CG2 3.38Å; S477-V481 PolarHBondContact O-N 3.4Å; S477-V481 VanDerWaalsContact O-N 3.12Å
478	I	86.9	Confident	78.4	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-69.6	-34.3	177.5	-63.7	-67.1	0	0	0	111.4	L448 E480 V481 F482 A523 N526 L527	L448-I478 HydrophobicContact CD2-CD1 3.49Å; L448-I478 VanDerWaalsContact CD2-CD1 3.49Å; L448-I478 HydrophobicContact CD2-CG1 4.38Å; I478-E480 VanDerWaalsContact C-N 3.25Å; I478-E480 PolarHBondContact O-N 3.46Å; I478-V481 WeakPolarHBondContact O-CB 3.26Å; I478-V481 PolarHBondContact O-N 3.21Å; I478-V481 VanDerWaalsContact O-N 3.14Å; I478-F482 HydrophobicContact CG2-CD2 4.07Å; I478-F482 HydrophobicContact CG2-CE2 3.48Å; I478-F482 VanDerWaalsContact CG2-CE2 3.48Å; I478-F482 HydrophobicContact CG2-CZ 4.06Å; I478-F482 WeakPolarHBondContact O-CD2 3.49Å; I478-F482 PolarHBondContact O-N 2.81Å; I478-A523 HydrophobicContact CD1-CB 3.54Å; I478-A523 HydrophobicContact CG1-CB 4.43Å; I478-N526 HydrophobicContact CG2-CB 4.39Å; I478-L527 HydrophobicContact CD1-CG 4.41Å; I478-L527 HydrophobicContact CG2-CD2 4.08Å; I478-L527 HydrophobicContact CG2-CG 4.34Å
479	E	87.4	Confident	78.4	Confident	123 Å²	123	46.5 Å²	46.5	58%	0.575	26%	0.257	S	S	*	.	H	α-helix	trans	-59.4	-41.4	173.8	-59.4	73	-157	0	0	111	S477 F482 S483	S477-E479 VanDerWaalsContact C-N 3.34Å; S477-E479 WeakPolarHBondContact CB-OE2 3.31Å; S477-E479 PolarHBondContact OG-N 3.01Å; S477-E479 PolarHBondContact OG-OE2 3.36Å; E479-F482 PolarHBondContact O-N 2.61Å; E479-S483 PolarHBondContact O-N 3.2Å; E479-S483 VanDerWaalsContact O-N 3.08Å
480	E	89.6	Confident	77.9	Confident	55 Å²	55	47 Å²	47	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-40.5	174.7	-97.4	-170.1	-138.5	0	0	112.5	C475 Q476 S477 I478 F482 S483 R484	C475-E480 WeakPolarHBondContact CA-OE2 3.37Å; C475-E480 HydrophobicContact CB-CB 4.14Å; Q476-E480 PolarHBondContact N-OE2 2.92Å; S477-E480 VanDerWaalsContact O-CB 3.31Å; S477-E480 WeakPolarHBondContact O-CB 3.39Å; S477-E480 PolarHBondContact O-N 3.28Å; S477-E480 PolarHBondContact OG-N 2.98Å; I478-E480 VanDerWaalsContact C-N 3.25Å; I478-E480 PolarHBondContact O-N 3.46Å; E480-F482 VanDerWaalsContact C-N 3.33Å; E480-F482 PolarHBondContact O-N 2.73Å; E480-S483 PolarHBondContact O-N 2.93Å; E480-S483 PolarHBondContact O-OG 3.42Å; E480-R484 VanDerWaalsContact CG-NH1 3.34Å; E480-R484 WeakPolarHBondContact O-CG 3.16Å; E480-R484 PolarHBondContact O-N 3.36Å; E480-R484 VanDerWaalsContact O-N 3.09Å; E480-R484 PolarHBondContact O-NH1 3.02Å; E480-R484 IonicContact OE2-CZ 3.53Å; E480-R484 IonicContact OE2-NH1 3.32Å; E480-R484 PolarHBondContact OE2-NH1 3.26Å; E480-R484 IonicContact OE2-NH2 2.69Å; E480-R484 PolarHBondContact OE2-NH2 3.27Å
481	V	87.7	Confident	76.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-45	173.8	174.5	0	0	0	0	110.5	L420 I446 L448 C475 S477 I478 S483 R484 M485 L527	L420-V481 HydrophobicContact CD1-CG1 4.2Å; L420-V481 HydrophobicContact CD1-CG2 4.07Å; L420-V481 HydrophobicContact CD2-CG1 4.17Å; I446-V481 HydrophobicContact CG2-CG2 4.16Å; L448-V481 HydrophobicContact CB-CG2 4.41Å; L448-V481 HydrophobicContact CD1-CG2 4.37Å; C475-V481 HydrophobicContact CB-CG2 3.85Å; S477-V481 WeakPolarHBondContact O-CG2 3.38Å; S477-V481 PolarHBondContact O-N 3.4Å; S477-V481 VanDerWaalsContact O-N 3.12Å; I478-V481 WeakPolarHBondContact O-CB 3.26Å; I478-V481 PolarHBondContact O-N 3.21Å; I478-V481 VanDerWaalsContact O-N 3.14Å; V481-S483 VanDerWaalsContact C-N 3.32Å; V481-S483 PolarHBondContact O-N 2.84Å; V481-R484 PolarHBondContact O-N 3.29Å; V481-M485 HydrophobicContact CG1-CE 3.36Å; V481-M485 HydrophobicContact CG1-SD 4.15Å; V481-M485 WeakPolarHBondContact O-CG 3.44Å; V481-M485 PolarHBondContact O-N 2.86Å; V481-M485 VanDerWaalsContact O-N 3.07Å; V481-L527 HydrophobicContact CG1-CD2 4.21Å
482	F	82.4	Confident	74.8	Confident	50 Å²	50	51.4 Å²	51.4	22%	0.219	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-38.2	176	-68.8	-59.3	0	0	0	112.9	I478 E479 E480 F490 L527 H530	I478-F482 HydrophobicContact CG2-CD2 4.07Å; I478-F482 HydrophobicContact CG2-CE2 3.48Å; I478-F482 VanDerWaalsContact CG2-CE2 3.48Å; I478-F482 HydrophobicContact CG2-CZ 4.06Å; I478-F482 WeakPolarHBondContact O-CD2 3.49Å; I478-F482 PolarHBondContact O-N 2.81Å; E479-F482 PolarHBondContact O-N 2.61Å; E480-F482 VanDerWaalsContact C-N 3.33Å; E480-F482 PolarHBondContact O-N 2.73Å; F482-F490 HydrophobicContact CD1-CD2 4.47Å; F482-F490 HydrophobicContact CD1-CE1 4.3Å; F482-F490 AromaticContact CD1-CE2 3.74Å; F482-F490 HydrophobicContact CD1-CE2 3.74Å; F482-F490 AromaticContact CD1-CZ 3.64Å; F482-F490 HydrophobicContact CD1-CZ 3.64Å; F482-F490 HydrophobicContact CE1-CE1 4.01Å; F482-F490 HydrophobicContact CE1-CE2 4.29Å; F482-F490 AromaticContact CE1-CZ 3.74Å; F482-F490 HydrophobicContact CE1-CZ 3.74Å; F482-L527 HydrophobicContact CD1-CD2 4.38Å; F482-L527 HydrophobicContact CE1-CD2 3.68Å; F482-L527 HydrophobicContact CE2-CD2 4.42Å; F482-L527 HydrophobicContact CZ-CD2 3.68Å; F482-H530 HydrophobicContact CE1-CB 3.79Å; F482-H530 HydrophobicContact CE2-CB 4.1Å; F482-H530 AromaticContact CE2-CG 3.73Å; F482-H530 AromaticContact CE2-ND1 3.83Å; F482-H530 HydrophobicContact CZ-CB 3.33Å; F482-H530 AromaticContact CZ-CG 3.47Å; F482-H530 VanDerWaalsContact CZ-CG 3.47Å; F482-H530 AromaticContact CZ-ND1 3.75Å
483	S	82.7	Confident	72.7	Confident	90 Å²	90	58 Å²	58	63%	0.629	31%	0.311	S	S	*	.	H	α-helix	trans	-69.1	-32.3	-179.6	76.3	0	0	0	0	113.6	E479 E480 V481	E479-S483 PolarHBondContact O-N 3.2Å; E479-S483 VanDerWaalsContact O-N 3.08Å; E480-S483 PolarHBondContact O-N 2.93Å; E480-S483 PolarHBondContact O-OG 3.42Å; V481-S483 VanDerWaalsContact C-N 3.32Å; V481-S483 PolarHBondContact O-N 2.84Å
484	R	81.3	Confident	70.4	Confident	80 Å²	80	59.4 Å²	59.4	30%	0.302	32%	0.321	S	S	.	.	H	α-helix	trans	-87.5	-26.7	-177.8	-67.4	-166.4	-174.9	70.3	-11.3	112.8	Q444 I446 S474 C475 E480 V481	Q444-R484 PolarHBondContact NE2-O 2.84Å; I446-R484 HydrophobicContact CD1-CB 4.47Å; S474-R484 PolarHBondContact O-NE 2.74Å; S474-R484 VanDerWaalsContact O-NE 3.09Å; S474-R484 PolarHBondContact O-NH2 2.83Å; C475-R484 WeakPolarHBondContact SG-CD 3.33Å; C475-R484 PolarHBondContact SG-NH1 3.19Å; E480-R484 VanDerWaalsContact CG-NH1 3.34Å; E480-R484 WeakPolarHBondContact O-CG 3.16Å; E480-R484 PolarHBondContact O-N 3.36Å; E480-R484 VanDerWaalsContact O-N 3.09Å; E480-R484 PolarHBondContact O-NH1 3.02Å; E480-R484 IonicContact OE2-CZ 3.53Å; E480-R484 IonicContact OE2-NH1 3.32Å; E480-R484 PolarHBondContact OE2-NH1 3.26Å; E480-R484 IonicContact OE2-NH2 2.69Å; E480-R484 PolarHBondContact OE2-NH2 3.27Å; V481-R484 PolarHBondContact O-N 3.29Å
485	M	73.6	Confident	68.1	Low	5 Å²	5	62.3 Å²	62.3	3%	0.025	34%	0.339	C	S	.	.	S	Bend	trans	-64.6	137.8	173.2	-78.3	-173.5	-173.1	0	0	111.4	I446 V481 I489 F490 L500	I446-M485 HydrophobicContact CD1-CE 3.67Å; I446-M485 HydrophobicContact CD1-CG 3.41Å; I446-M485 VanDerWaalsContact CD1-CG 3.41Å; I446-M485 HydrophobicContact CD1-SD 4.47Å; V481-M485 HydrophobicContact CG1-CE 3.36Å; V481-M485 HydrophobicContact CG1-SD 4.15Å; V481-M485 WeakPolarHBondContact O-CG 3.44Å; V481-M485 PolarHBondContact O-N 2.86Å; V481-M485 VanDerWaalsContact O-N 3.07Å; M485-I489 HydrophobicContact CB-CD1 4.1Å; M485-I489 HydrophobicContact CG-CD1 4.28Å; M485-F490 HydrophobicContact CB-CE2 3.82Å; M485-F490 HydrophobicContact CG-CE2 4.34Å; M485-F490 HydrophobicContact SD-CE2 3.62Å; M485-F490 HydrophobicContact SD-CZ 3.46Å; M485-F490 WeakPolarHBondContact SD-CZ 3.44Å; M485-L500 HydrophobicContact CE-CD1 3.41Å; M485-L500 VanDerWaalsContact CE-CD1 3.41Å; M485-L500 HydrophobicContact CE-CD2 3.35Å; M485-L500 HydrophobicContact CE-CG 4.02Å; M485-L500 HydrophobicContact SD-CD1 4.36Å; M485-L500 HydrophobicContact SD-CD2 3.72Å
486	T	61.6	Low	65.8	Low	55 Å²	55	67.2 Å²	67.2	34%	0.337	37%	0.37	S	S	.	.			trans	-54	130.7	176.5	-52.7	0	0	0	0	109.3	N488 I489	T486-N488 HydrophobicContact CG2-CB 4.31Å; T486-N488 PolarHBondContact O-N 3.32Å; T486-I489 PolarHBondContact O-N 3.22Å
487	P	54.2	Low	63.8	Low	100 Å²	100	68.1 Å²	68.1	65%	0.649	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-21.2	-176.1	-27.9	32.5	0	0	0	114.9	T491	P487-T491 WeakPolarHBondContact O-CG2 3.43Å; P487-T491 PolarHBondContact O-OG1 2.93Å
488	N	49.8	Very low	62.4	Low	88 Å²	88	67 Å²	67	47%	0.471	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-14	-178.1	-66.4	-26.9	0	0	0	115.1	T486 F490 T491 K492	T486-N488 HydrophobicContact CG2-CB 4.31Å; T486-N488 PolarHBondContact O-N 3.32Å; N488-F490 VanDerWaalsContact C-N 3.34Å; N488-T491 WeakPolarHBondContact CA-OG1 3.13Å; N488-K492 HydrophobicContact CB-CD 4.29Å; N488-K492 HydrophobicContact CB-CG 4.39Å; N488-K492 WeakPolarHBondContact O-CB 3.4Å; N488-K492 WeakPolarHBondContact O-CG 3.45Å
489	I	53.7	Low	61.6	Low	7 Å²	7	68.9 Å²	68.9	4%	0.036	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.9	-179.2	-65.5	168.4	0	0	0	110.8	N418 M485 T486	N418-I489 HydrophobicContact CB-CD1 4.41Å; N418-I489 VanDerWaalsContact ND2-CD1 3.25Å; N418-I489 WeakPolarHBondContact ND2-CD1 3.22Å; M485-I489 HydrophobicContact CB-CD1 4.1Å; M485-I489 HydrophobicContact CG-CD1 4.28Å; T486-I489 PolarHBondContact O-N 3.22Å
490	F	50.6	Low	61.3	Low	55 Å²	55	63.1 Å²	63.1	24%	0.241	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.3	-177	-60.6	-71.5	0	0	0	113.9	F482 M485 N488 N531	F482-F490 HydrophobicContact CD1-CD2 4.47Å; F482-F490 HydrophobicContact CD1-CE1 4.3Å; F482-F490 AromaticContact CD1-CE2 3.74Å; F482-F490 HydrophobicContact CD1-CE2 3.74Å; F482-F490 AromaticContact CD1-CZ 3.64Å; F482-F490 HydrophobicContact CD1-CZ 3.64Å; F482-F490 HydrophobicContact CE1-CE1 4.01Å; F482-F490 HydrophobicContact CE1-CE2 4.29Å; F482-F490 AromaticContact CE1-CZ 3.74Å; F482-F490 HydrophobicContact CE1-CZ 3.74Å; M485-F490 HydrophobicContact CB-CE2 3.82Å; M485-F490 HydrophobicContact CG-CE2 4.34Å; M485-F490 HydrophobicContact SD-CE2 3.62Å; M485-F490 HydrophobicContact SD-CZ 3.46Å; M485-F490 WeakPolarHBondContact SD-CZ 3.44Å; N488-F490 VanDerWaalsContact C-N 3.34Å; F490-N531 HydrophobicContact CD1-CB 3.77Å; F490-N531 WeakPolarHBondContact CD1-ND2 3.45Å; F490-N531 HydrophobicContact CE1-CB 4.05Å
491	T	45.3	Very low	61.1	Low	103 Å²	103	60.9 Å²	60.9	63%	0.632	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-1	-170.1	55.1	0	0	0	0	114.9	P487 N488	P487-T491 WeakPolarHBondContact O-CG2 3.43Å; P487-T491 PolarHBondContact O-OG1 2.93Å; N488-T491 WeakPolarHBondContact CA-OG1 3.13Å
492	K	38.9	Very low	61.2	Low	94 Å²	94	60.9 Å²	60.9	41%	0.409	34%	0.341	S	S	.	.			trans	-90.3	139.8	-172.6	-88.3	-176.3	169.1	-169.3	0	114.7	N488 N494 E497	N488-K492 HydrophobicContact CB-CD 4.29Å; N488-K492 HydrophobicContact CB-CG 4.39Å; N488-K492 WeakPolarHBondContact O-CB 3.4Å; N488-K492 WeakPolarHBondContact O-CG 3.45Å; K492-N494 VanDerWaalsContact C-N 3.27Å; K492-N494 PolarHBondContact O-N 3.25Å; K492-E497 IonicContact NZ-OE2 2.78Å; K492-E497 PolarHBondContact NZ-OE2 2.7Å
493	T	44.2	Very low	61.7	Low	146 Å²	146	58.5 Å²	58.5	90%	0.896	33%	0.331	S	S	*	.	S	Bend	trans	-76.8	1.1	172.2	41.9	0	0	0	0	114.8
494	N	41.8	Very low	62.2	Low	88 Å²	88	54.3 Å²	54.3	47%	0.471	30%	0.301	S	S	.	.			trans	-121.6	100	179.6	-120.7	-4.4	0	0	0	110.6	K492 T496	K492-N494 VanDerWaalsContact C-N 3.27Å; K492-N494 PolarHBondContact O-N 3.25Å; N494-T496 PolarHBondContact O-N 3.24Å; N494-T496 VanDerWaalsContact O-N 3.15Å
495	P	44.4	Very low	62.6	Low	64 Å²	64	50.6 Å²	50.6	42%	0.416	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.9	-174.2	-24.1	33	0	0	0	115.2	E497	P495-E497 VanDerWaalsContact C-N 3.35Å; P495-E497 PolarHBondContact O-N 3.36Å
496	T	44.2	Very low	63.3	Low	104 Å²	104	50.8 Å²	50.8	64%	0.638	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-78.7	-10.6	-171.2	50.5	0	0	0	0	114.7	N494	N494-T496 PolarHBondContact O-N 3.24Å; N494-T496 VanDerWaalsContact O-N 3.15Å
497	E	50.2	Low	64.7	Low	86 Å²	86	49.1 Å²	49.1	40%	0.402	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-102	-7.8	-173.8	-74.6	-171.4	173.2	0	0	115.3	K492 P495	K492-E497 IonicContact NZ-OE2 2.78Å; K492-E497 PolarHBondContact NZ-OE2 2.7Å; P495-E497 VanDerWaalsContact C-N 3.35Å; P495-E497 PolarHBondContact O-N 3.36Å
498	S	59.3	Low	66.5	Low	8 Å²	8	45.1 Å²	45.1	6%	0.056	25%	0.249	C	C	.	.			trans	-150.5	63.6	-173.7	58.3	0	0	0	0	113.3	S536	S498-S536 WeakPolarHBondContact O-CB 3.48Å
499	T	71.4	Confident	68.4	Low	45 Å²	45	43.1 Å²	43.1	28%	0.276	24%	0.242	S	C	.	.			trans	-74.7	133.5	169.2	-50.8	0	0	0	0	110.3	I501 S536	T499-I501 HydrophobicContact CG2-CD1 4.5Å; T499-I501 HydrophobicContact CG2-CG1 4.19Å; T499-S536 CarbonylContact C-O 3.57Å; T499-S536 VanDerWaalsContact CA-O 3.28Å; T499-S536 WeakPolarHBondContact CA-O 3.47Å; T499-S536 WeakPolarHBondContact CG2-O 3.47Å
500	L	81	Confident	70	Confident	3 Å²	3	47 Å²	47	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.8	169.1	174.8	60.1	0	0	0	109.2	N418 L420 M485 S536 L537 Y538	N418-L500 HydrophobicContact CB-CD1 4.01Å; L420-L500 HydrophobicContact CB-CD1 3.95Å; M485-L500 HydrophobicContact CE-CD1 3.41Å; M485-L500 VanDerWaalsContact CE-CD1 3.41Å; M485-L500 HydrophobicContact CE-CD2 3.35Å; M485-L500 HydrophobicContact CE-CG 4.02Å; M485-L500 HydrophobicContact SD-CD1 4.36Å; M485-L500 HydrophobicContact SD-CD2 3.72Å; L500-S536 PolarHBondContact N-O 3.04Å; L500-L537 HydrophobicContact CB-CD1 4.29Å; L500-L537 HydrophobicContact CD2-CD1 3.84Å; L500-L537 HydrophobicContact CG-CD1 3.93Å; L500-L537 CarbonylContact O-C 3.47Å; L500-L537 WeakPolarHBondContact O-CA 3.46Å; L500-Y538 PolarHBondContact O-N 3.3Å
501	I	85.6	Confident	71.7	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.1	178.2	-78.2	158.7	0	0	0	109.9	L405 F417 N418 V419 L420 T499 I503 Y538 F540	L405-I501 HydrophobicContact CD1-CD1 4.2Å; L405-I501 HydrophobicContact CD1-CG2 3.96Å; F417-I501 HydrophobicContact CD2-CD1 4.39Å; F417-I501 HydrophobicContact CE1-CD1 4.29Å; F417-I501 HydrophobicContact CE2-CD1 3.26Å; F417-I501 HydrophobicContact CZ-CD1 3.21Å; F417-I501 HydrophobicContact CZ-CG1 4.48Å; N418-I501 PolarHBondContact O-N 3.2Å; V419-I501 CarbonylContact C-O 3.58Å; V419-I501 WeakPolarHBondContact CA-O 3.18Å; L420-I501 PolarHBondContact N-O 3.05Å; T499-I501 HydrophobicContact CG2-CD1 4.5Å; T499-I501 HydrophobicContact CG2-CG1 4.19Å; I501-I503 HydrophobicContact CG2-CD1 4.19Å; I501-I503 HydrophobicContact CG2-CG1 4.01Å; I501-Y538 WeakPolarHBondContact CA-O 3.4Å; I501-Y538 HydrophobicContact CG1-CD1 4.32Å; I501-F540 HydrophobicContact CG2-CB 3.64Å; I501-F540 HydrophobicContact CG2-CD2 4.29Å; I501-F540 HydrophobicContact CG2-CG 4.11Å
502	L	90.1	Very high	73.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.3	173.6	-164.9	155.4	0	0	0	110	L420 V422 F520 F524 L527 Y538 L539 F540	L420-L502 HydrophobicContact CD2-CD1 3.99Å; L420-L502 HydrophobicContact CD2-CG 4.33Å; L420-L502 HydrophobicContact CG-CG 4.49Å; L420-L502 CarbonylContact O-C 3.56Å; L420-L502 WeakPolarHBondContact O-CA 3.26Å; V422-L502 HydrophobicContact CG2-CD1 3.97Å; V422-L502 HydrophobicContact CG2-CD2 4.09Å; V422-L502 HydrophobicContact CG2-CG 3.98Å; L502-F520 HydrophobicContact CD2-CD2 4.37Å; L502-F524 HydrophobicContact CB-CD2 4.44Å; L502-F524 HydrophobicContact CD1-CB 3.92Å; L502-F524 HydrophobicContact CD1-CD2 4.02Å; L502-F524 HydrophobicContact CD1-CG 4.47Å; L502-L527 HydrophobicContact CD1-CD1 4.14Å; L502-Y538 PolarHBondContact N-O 2.9Å; L502-L539 HydrophobicContact CB-CD1 4.45Å; L502-L539 HydrophobicContact CD2-CD1 3.62Å; L502-F540 WeakPolarHBondContact O-CB 3.32Å; L502-F540 PolarHBondContact O-N 2.78Å
503	I	92.3	Very high	76.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.6	172.2	-71	170.9	0	0	0	107.9	I401 L405 V419 L420 V421 V422 L428 L432 I501 F540	I401-I503 HydrophobicContact CD1-CB 4.44Å; I401-I503 HydrophobicContact CD1-CG1 4.39Å; I401-I503 HydrophobicContact CD1-CG2 3.39Å; I401-I503 HydrophobicContact CG1-CG2 4.43Å; L405-I503 HydrophobicContact CD1-CD1 4.18Å; L405-I503 HydrophobicContact CD2-CD1 3.83Å; V419-I503 HydrophobicContact CG1-CD1 4.1Å; L420-I503 PolarHBondContact O-N 3.4Å; V421-I503 CarbonylContact C-O 3.53Å; V421-I503 VanDerWaalsContact CA-O 3.22Å; V421-I503 WeakPolarHBondContact CA-O 3.32Å; V422-I503 PolarHBondContact N-O 3.16Å; L428-I503 HydrophobicContact CD2-CG2 3.84Å; L432-I503 HydrophobicContact CD1-CD1 4.42Å; I501-I503 HydrophobicContact CG2-CD1 4.19Å; I501-I503 HydrophobicContact CG2-CG1 4.01Å; I503-F540 HydrophobicContact CD1-CD1 4.22Å; I503-F540 HydrophobicContact CG1-CB 3.95Å; I503-F540 HydrophobicContact CG1-CD1 3.94Å; I503-F540 HydrophobicContact CG1-CG 4.23Å
504	S	92.5	Very high	78.5	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.5	171.2	-177.3	0	0	0	0	111.5	V422 F520 S541	V422-S504 WeakPolarHBondContact O-CA 3.42Å; V422-S504 VanDerWaalsContact O-CB 3.29Å; V422-S504 WeakPolarHBondContact O-CB 3.36Å; V422-S504 PolarHBondContact O-OG 3.07Å; S504-F520 VanDerWaalsContact CB-CB 3.43Å; S504-F520 VanDerWaalsContact OG-CB 3.23Å; S504-F520 WeakPolarHBondContact OG-CB 3.31Å; S504-F520 WeakPolarHBondContact OG-CD1 3.39Å; S504-F520 VanDerWaalsContact OG-CG 3.25Å; S504-F520 WeakPolarHBondContact OG-CG 3.3Å; S504-S541 PolarHBondContact N-O 3.09Å
505	E	89.9	Confident	80.8	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	19%	0.187	C	C	.	.			trans	-92	115.4	146.4	173.5	177	-163.8	0	0	106.3	R385 Y394 F397 S423 T426 Y507	R385-E505 IonicContact CZ-OE1 3.93Å; R385-E505 IonicContact CZ-OE2 3.48Å; R385-E505 IonicContact NH1-OE1 3.41Å; R385-E505 PolarHBondContact NH1-OE1 3.39Å; R385-E505 IonicContact NH2-OE1 3.81Å; R385-E505 PolarHBondContact NH2-OE1 3.02Å; R385-E505 IonicContact NH2-OE2 2.68Å; R385-E505 PolarHBondContact NH2-OE2 2.89Å; Y394-E505 WeakPolarHBondContact CD2-OE1 3.45Å; Y394-E505 WeakPolarHBondContact CE2-OE1 3.43Å; Y394-E505 VanDerWaalsContact CE2-OE2 3.31Å; Y394-E505 WeakPolarHBondContact CE2-OE2 3.32Å; Y394-E505 PolarHBondContact OH-OE2 3.22Å; F397-E505 HydrophobicContact CE1-CB 4.02Å; F397-E505 HydrophobicContact CE1-CG 4.09Å; F397-E505 HydrophobicContact CZ-CB 4.14Å; S423-E505 VanDerWaalsContact CB-O 3.24Å; S423-E505 WeakPolarHBondContact CB-O 3.2Å; S423-E505 PolarHBondContact OG-O 3.48Å; T426-E505 WeakPolarHBondContact CB-OE2 3.32Å; T426-E505 PolarHBondContact OG1-OE2 3.17Å; E505-Y507 PolarHBondContact O-N 3.4Å
506	P	87.6	Confident	82.8	Confident	8 Å²	8	31.6 Å²	31.6	5%	0.052	18%	0.182	C	C	.	.			trans	-73.6	80.6	-174.9	31.9	-34.5	0	0	0	108.8	S517 F520 W657 Y659	P506-S517 WeakPolarHBondContact O-CB 2.86Å; P506-S517 PolarHBondContact O-OG 3.33Å; P506-F520 HydrophobicContact CB-CD1 4.17Å; P506-F520 HydrophobicContact CB-CE1 3.91Å; P506-W657 HydrophobicContact CB-CD2 4.06Å; P506-W657 HydrophobicContact CB-CE3 4.38Å; P506-W657 HydrophobicContact CB-CH2 4.03Å; P506-W657 HydrophobicContact CB-CZ2 3.69Å; P506-W657 HydrophobicContact CB-CZ3 4.36Å; P506-W657 HydrophobicContact CG-CD2 3.61Å; P506-W657 VanDerWaalsContact CG-CE2 3.48Å; P506-W657 HydrophobicContact CG-CE3 4.26Å; P506-W657 HydrophobicContact CG-CG 3.73Å; P506-W657 HydrophobicContact CG-CZ2 4.05Å; P506-Y659 WeakPolarHBondContact CD-OH 3.42Å
507	Y	92.7	Very high	84.9	Confident	21 Å²	21	27 Å²	27	8%	0.082	15%	0.154	C	C	.	.			trans	-142.5	132.5	173.6	-177.9	-86.5	0	0	0	110	P382 R385 D424 C425 E505	P382-Y507 WeakPolarHBondContact CG-OH 3.48Å; R385-Y507 HydrophobicContact CB-CE2 4.2Å; R385-Y507 WeakPolarHBondContact CB-OH 3.35Å; R385-Y507 HydrophobicContact CG-CE1 3.9Å; R385-Y507 HydrophobicContact CG-CE2 4.15Å; D424-Y507 HydrophobicContact CB-CD1 4.1Å; D424-Y507 HydrophobicContact CB-CE1 4.28Å; D424-Y507 PolarHBondContact N-O 2.93Å; D424-Y507 VanDerWaalsContact O-CD1 3.31Å; D424-Y507 WeakPolarHBondContact O-CD1 3.37Å; C425-Y507 HydrophobicContact CB-CE1 4.01Å; E505-Y507 PolarHBondContact O-N 3.4Å
508	I	91	Very high	86.7	Confident	16 Å²	16	23.1 Å²	23.1	8%	0.082	14%	0.137	C	C	.	.			trans	-132.3	140.3	172.7	-46.2	159	0	0	0	106.8	D424 S510 S511 D516 Y519	D424-I508 WeakPolarHBondContact OD2-CG2 3.47Å; I508-S510 WeakPolarHBondContact CG2-OG 3.49Å; I508-S510 PolarHBondContact O-N 2.98Å; I508-S511 WeakPolarHBondContact CB-OG 3.29Å; I508-S511 WeakPolarHBondContact O-CB 3.42Å; I508-S511 PolarHBondContact O-N 3.21Å; I508-S511 VanDerWaalsContact O-N 3.07Å; I508-S511 PolarHBondContact O-OG 2.74Å; I508-D516 WeakPolarHBondContact CD1-O 3.42Å; I508-Y519 HydrophobicContact CD1-CG 4.14Å
509	S	89.2	Confident	88	Confident	45 Å²	45	26 Å²	26	32%	0.315	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.2	-178.8	57.1	0	0	0	0	113.8	D424	D424-S509 VanDerWaalsContact OD2-CB 3.28Å; D424-S509 WeakPolarHBondContact OD2-CB 3.45Å; D424-S509 PolarHBondContact OD2-N 2.83Å; D424-S509 PolarHBondContact OD2-OG 3.13Å
510	S	87.5	Confident	88.9	Confident	89 Å²	89	23.9 Å²	23.9	62%	0.622	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.6	176.2	59.6	0	0	0	0	114.5	I508 I512	I508-S510 WeakPolarHBondContact CG2-OG 3.49Å; I508-S510 PolarHBondContact O-N 2.98Å; S510-I512 PolarHBondContact O-N 3.17Å
511	S	87.7	Confident	89.2	Confident	29 Å²	29	23.8 Å²	23.8	20%	0.203	13%	0.133	C	C	.	.			trans	-63.1	134.1	180	-69.8	0	0	0	0	111.5	I508	I508-S511 WeakPolarHBondContact CB-OG 3.29Å; I508-S511 WeakPolarHBondContact O-CB 3.42Å; I508-S511 PolarHBondContact O-N 3.21Å; I508-S511 VanDerWaalsContact O-N 3.07Å; I508-S511 PolarHBondContact O-OG 2.74Å
512	I	87.9	Confident	89.1	Confident	103 Å²	103	26.3 Å²	26.3	53%	0.528	14%	0.143	S	C	.	.			trans	-105.2	-47	178.1	-59.4	-178.6	0	0	0	108.8	S510 D516 P593	S510-I512 PolarHBondContact O-N 3.17Å; I512-D516 PolarHBondContact N-OD2 3.02Å; I512-P593 HydrophobicContact CG2-CB 4.01Å; I512-P593 HydrophobicContact CG2-CG 3.5Å; I512-P593 VanDerWaalsContact CG2-CG 3.5Å; I512-P593 VanDerWaalsContact O-CB 3.25Å; I512-P593 WeakPolarHBondContact O-CB 3.18Å
513	L	91.9	Very high	88.9	Confident	25 Å²	25	26.4 Å²	26.4	13%	0.131	14%	0.143	C	C	.	.	S	Bend	trans	-104.5	157.2	-177.7	-62.4	172.5	0	0	0	112	W515 D516 I591 P593	L513-W515 HydrophobicContact CB-CD2 4.37Å; L513-W515 HydrophobicContact CB-CZ2 4.14Å; L513-W515 HydrophobicContact CD1-CZ2 3.74Å; L513-W515 HydrophobicContact CG-CZ2 4.39Å; L513-W515 PolarHBondContact O-N 2.91Å; L513-D516 PolarHBondContact N-OD2 2.98Å; L513-D516 PolarHBondContact O-N 3.26Å; L513-D516 VanDerWaalsContact O-N 3.12Å; L513-I591 HydrophobicContact CD1-CB 4.28Å; L513-I591 HydrophobicContact CD1-CG2 4.35Å; L513-I591 HydrophobicContact CD2-CB 4.28Å; L513-I591 HydrophobicContact CD2-CG2 3.61Å; L513-P593 HydrophobicContact CD2-CB 4.32Å
514	P	89.7	Confident	88.6	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.013	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.6	-177.3	-25.9	29.4	0	0	0	116	S517 C655 A676 Q696	P514-S517 PolarHBondContact O-OG 2.97Å; P514-C655 HydrophobicContact CB-CB 4.08Å; P514-C655 VanDerWaalsContact CB-SG 3.53Å; P514-C655 PolarHBondContact O-SG 3.48Å; P514-A676 HydrophobicContact CB-CB 4.38Å; P514-A676 HydrophobicContact CG-CB 4.31Å; P514-Q696 WeakPolarHBondContact CG-O 3.45Å
515	W	89.8	Confident	88	Confident	8 Å²	8	27.1 Å²	27.1	3%	0.03	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-5.2	-175.7	51.1	72.2	0	0	0	114.3	L513 S517 L518 I547 I591 L653 M722 L731	L513-W515 HydrophobicContact CB-CD2 4.37Å; L513-W515 HydrophobicContact CB-CZ2 4.14Å; L513-W515 HydrophobicContact CD1-CZ2 3.74Å; L513-W515 HydrophobicContact CG-CZ2 4.39Å; L513-W515 PolarHBondContact O-N 2.91Å; W515-S517 PolarHBondContact O-N 2.8Å; W515-S517 VanDerWaalsContact O-N 3.09Å; W515-L518 WeakPolarHBondContact O-CG 3.47Å; W515-L518 PolarHBondContact O-N 2.62Å; W515-I547 HydrophobicContact CB-CD1 3.85Å; W515-I547 HydrophobicContact CD2-CD1 3.9Å; W515-I547 HydrophobicContact CE3-CD1 3.74Å; W515-I547 HydrophobicContact CE3-CG1 4.15Å; W515-I547 HydrophobicContact CE3-CG2 3.85Å; W515-I547 HydrophobicContact CG-CD1 3.99Å; W515-I547 HydrophobicContact CZ3-CG2 3.77Å; W515-I591 HydrophobicContact CH2-CG2 4.21Å; W515-I591 HydrophobicContact CZ2-CG2 4.44Å; W515-L653 HydrophobicContact CH2-CB 4.02Å; W515-L653 HydrophobicContact CH2-CD1 3.92Å; W515-L653 HydrophobicContact CZ3-CB 3.84Å; W515-M722 HydrophobicContact CD2-CE 4.43Å; W515-M722 HydrophobicContact CE3-CE 4.39Å; W515-M722 HydrophobicContact CH2-CE 3.62Å; W515-M722 HydrophobicContact CZ2-CE 3.63Å; W515-M722 HydrophobicContact CZ3-CE 4.01Å; W515-L731 HydrophobicContact CB-CD1 3.52Å; W515-L731 HydrophobicContact CD2-CD1 4.31Å; W515-L731 HydrophobicContact CG-CB 4.45Å; W515-L731 HydrophobicContact CG-CD1 3.41Å; W515-L731 VanDerWaalsContact CG-CD1 3.41Å
516	D	88.5	Confident	87.7	Confident	60 Å²	60	29.7 Å²	29.7	32%	0.321	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-62.2	-19.2	176.6	-67	-12.3	0	0	0	111.7	I508 I512 L513 L518	I508-D516 WeakPolarHBondContact CD1-O 3.42Å; I512-D516 PolarHBondContact N-OD2 3.02Å; L513-D516 PolarHBondContact N-OD2 2.98Å; L513-D516 PolarHBondContact O-N 3.26Å; L513-D516 VanDerWaalsContact O-N 3.12Å; D516-L518 PolarHBondContact O-N 3.15Å
517	S	86.8	Confident	87.4	Confident	7 Å²	7	29.3 Å²	29.3	5%	0.049	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-71.4	10.1	176.7	58.3	0	0	0	0	115.5	P506 P514 W515 Y519 F520 W657	P506-S517 WeakPolarHBondContact O-CB 2.86Å; P506-S517 PolarHBondContact O-OG 3.33Å; P514-S517 PolarHBondContact O-OG 2.97Å; W515-S517 PolarHBondContact O-N 2.8Å; W515-S517 VanDerWaalsContact O-N 3.09Å; S517-Y519 PolarHBondContact O-N 3.39Å; S517-Y519 VanDerWaalsContact O-N 3.13Å; S517-F520 WeakPolarHBondContact O-CD1 3.32Å; S517-W657 WeakPolarHBondContact OG-CZ2 3.37Å
518	L	88.7	Confident	86.6	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.026	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-65.6	-1.7	170.2	-82	173.8	0	0	0	114.5	W515 D516 F520 W521 Y522 L545 M613 L615 W657 F724 L731	W515-L518 WeakPolarHBondContact O-CG 3.47Å; W515-L518 PolarHBondContact O-N 2.62Å; D516-L518 PolarHBondContact O-N 3.15Å; L518-F520 HydrophobicContact CD2-CE1 4.46Å; L518-F520 PolarHBondContact O-N 3.46Å; L518-F520 VanDerWaalsContact O-N 3.12Å; L518-W521 HydrophobicContact CD2-CB 4.38Å; L518-W521 WeakPolarHBondContact O-CA 3.28Å; L518-W521 VanDerWaalsContact O-CB 3.27Å; L518-W521 WeakPolarHBondContact O-CB 3.47Å; L518-W521 PolarHBondContact O-N 3.03Å; L518-Y522 HydrophobicContact CB-CE2 4.21Å; L518-Y522 WeakPolarHBondContact O-CD2 3.33Å; L518-Y522 PolarHBondContact O-N 2.76Å; L518-L545 HydrophobicContact CD1-CD2 3.99Å; L518-L545 HydrophobicContact CD2-CD2 3.89Å; L518-L545 HydrophobicContact CG-CD2 4.1Å; L518-M613 HydrophobicContact CD2-SD 4.49Å; L518-L615 HydrophobicContact CD2-CD2 4.3Å; L518-W657 HydrophobicContact CD2-CH2 3.8Å; L518-W657 HydrophobicContact CD2-CZ3 3.94Å; L518-W657 HydrophobicContact CG-CH2 4.07Å; L518-F724 HydrophobicContact CD1-CE2 4.2Å; L518-F724 HydrophobicContact CD1-CZ 4.45Å; L518-L731 HydrophobicContact CD1-CD1 3.94Å
519	Y	87	Confident	85.8	Confident	67 Å²	67	31.8 Å²	31.8	26%	0.263	18%	0.179	S	C	.	.	H	α-helix	trans	-49.5	-39.6	178.5	176.5	-103.5	0	0	0	114.1	V422 L448 T450 I508 S517 W521 Y522 A523	V422-Y519 HydrophobicContact CG1-CD1 3.93Å; V422-Y519 HydrophobicContact CG1-CE1 4.04Å; L448-Y519 HydrophobicContact CD2-CE1 3.99Å; L448-Y519 HydrophobicContact CG-CE1 4.4Å; T450-Y519 HydrophobicContact CG2-CD1 3.84Å; T450-Y519 HydrophobicContact CG2-CE1 3.22Å; T450-Y519 HydrophobicContact CG2-CE2 4.32Å; T450-Y519 VanDerWaalsContact CG2-CZ 3.49Å; I508-Y519 HydrophobicContact CD1-CG 4.14Å; S517-Y519 PolarHBondContact O-N 3.39Å; S517-Y519 VanDerWaalsContact O-N 3.13Å; Y519-W521 PolarHBondContact O-N 3.16Å; Y519-W521 VanDerWaalsContact O-N 3.14Å; Y519-Y522 PolarHBondContact O-N 3.17Å; Y519-A523 HydrophobicContact CE1-CB 4.43Å; Y519-A523 PolarHBondContact O-N 3.34Å
520	F	89.8	Confident	85.1	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-29.6	177.7	76	-88.7	0	0	0	112.8	V422 L502 S504 P506 S517 L518 F524 L539 P542 L615 W657	V422-F520 HydrophobicContact CB-CB 3.88Å; V422-F520 HydrophobicContact CG1-CB 3.79Å; L502-F520 HydrophobicContact CD2-CD2 4.37Å; S504-F520 VanDerWaalsContact CB-CB 3.43Å; S504-F520 VanDerWaalsContact OG-CB 3.23Å; S504-F520 WeakPolarHBondContact OG-CB 3.31Å; S504-F520 WeakPolarHBondContact OG-CD1 3.39Å; S504-F520 VanDerWaalsContact OG-CG 3.25Å; S504-F520 WeakPolarHBondContact OG-CG 3.3Å; P506-F520 HydrophobicContact CB-CD1 4.17Å; P506-F520 HydrophobicContact CB-CE1 3.91Å; S517-F520 WeakPolarHBondContact O-CD1 3.32Å; L518-F520 HydrophobicContact CD2-CE1 4.46Å; L518-F520 PolarHBondContact O-N 3.46Å; L518-F520 VanDerWaalsContact O-N 3.12Å; F520-F524 VanDerWaalsContact O-CB 3.32Å; F520-F524 WeakPolarHBondContact O-CB 3.44Å; F520-F524 PolarHBondContact O-N 3.37Å; F520-L539 HydrophobicContact CD2-CD1 4.14Å; F520-L539 HydrophobicContact CE2-CD1 4.19Å; F520-L539 HydrophobicContact CE2-CD2 4.45Å; F520-P542 HydrophobicContact CE1-CG 3.91Å; F520-P542 HydrophobicContact CE2-CG 3.83Å; F520-P542 HydrophobicContact CZ-CG 3.38Å; F520-L615 HydrophobicContact CE2-CD1 4.04Å; F520-L615 HydrophobicContact CZ-CD1 3.66Å; F520-W657 HydrophobicContact CE1-CH2 4.07Å; F520-W657 AromaticContact CE1-CZ3 3.8Å; F520-W657 HydrophobicContact CE1-CZ3 3.8Å; F520-W657 AromaticContact CZ-CZ3 3.9Å; F520-W657 HydrophobicContact CZ-CZ3 3.9Å
521	W	86.3	Confident	84	Confident	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-71.3	-40.6	175.8	-179.1	78	0	0	0	110.7	L518 Y519 F524 Q525 M613 L615 F724	L518-W521 HydrophobicContact CD2-CB 4.38Å; L518-W521 WeakPolarHBondContact O-CA 3.28Å; L518-W521 VanDerWaalsContact O-CB 3.27Å; L518-W521 WeakPolarHBondContact O-CB 3.47Å; L518-W521 PolarHBondContact O-N 3.03Å; Y519-W521 PolarHBondContact O-N 3.16Å; Y519-W521 VanDerWaalsContact O-N 3.14Å; W521-F524 WeakPolarHBondContact O-CB 3.33Å; W521-F524 PolarHBondContact O-N 2.9Å; W521-Q525 HydrophobicContact CD2-CG 4.15Å; W521-Q525 HydrophobicContact CE3-CG 4.47Å; W521-Q525 HydrophobicContact CH2-CG 4.32Å; W521-Q525 HydrophobicContact CZ2-CG 3.97Å; W521-Q525 VanDerWaalsContact O-CG 3.29Å; W521-Q525 WeakPolarHBondContact O-CG 3.5Å; W521-Q525 PolarHBondContact O-N 3.43Å; W521-M613 HydrophobicContact CD2-CE 3.82Å; W521-M613 HydrophobicContact CE3-CE 4.29Å; W521-M613 HydrophobicContact CG-CE 4.36Å; W521-M613 HydrophobicContact CH2-CE 4.03Å; W521-M613 HydrophobicContact CZ2-CE 3.51Å; W521-M613 HydrophobicContact CZ3-CE 4.38Å; W521-L615 HydrophobicContact CB-CD2 4.38Å; W521-L615 HydrophobicContact CG-CD2 3.99Å; W521-F724 HydrophobicContact CE3-CZ 4.36Å; W521-F724 HydrophobicContact CH2-CE1 4.19Å; W521-F724 HydrophobicContact CH2-CZ 4.39Å; W521-F724 HydrophobicContact CZ3-CE1 4.1Å; W521-F724 AromaticContact CZ3-CZ 3.85Å; W521-F724 HydrophobicContact CZ3-CZ 3.85Å
522	Y	84.6	Confident	82.4	Confident	60 Å²	60	34.5 Å²	34.5	24%	0.235	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-41.9	172	-63.4	-78.2	0	0	0	112.3	L518 Y519 F524 Q525 N526 F724 G729	L518-Y522 HydrophobicContact CB-CE2 4.21Å; L518-Y522 WeakPolarHBondContact O-CD2 3.33Å; L518-Y522 PolarHBondContact O-N 2.76Å; Y519-Y522 PolarHBondContact O-N 3.17Å; Y522-F524 VanDerWaalsContact C-N 3.3Å; Y522-F524 PolarHBondContact O-N 3.01Å; Y522-Q525 PolarHBondContact O-N 3.2Å; Y522-N526 WeakPolarHBondContact O-CB 3.23Å; Y522-N526 PolarHBondContact O-N 3.3Å; Y522-F724 VanDerWaalsContact OH-CE2 3.3Å; Y522-F724 WeakPolarHBondContact OH-CE2 3.39Å; Y522-F724 WeakPolarHBondContact OH-CZ 3.49Å; Y522-G729 WeakPolarHBondContact OH-CA 3.29Å
523	A	86.5	Confident	80.8	Confident	2 Å²	2	32.1 Å²	32.1	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-55.3	-47.6	172.1	0	0	0	0	0	110.9	V422 L448 I478 Y519 N526 L527	V422-A523 HydrophobicContact CG1-CB 4.33Å; V422-A523 HydrophobicContact CG2-CB 4.47Å; L448-A523 HydrophobicContact CD2-CB 4.19Å; I478-A523 HydrophobicContact CD1-CB 3.54Å; I478-A523 HydrophobicContact CG1-CB 4.43Å; Y519-A523 HydrophobicContact CE1-CB 4.43Å; Y519-A523 PolarHBondContact O-N 3.34Å; A523-N526 PolarHBondContact O-N 2.93Å; A523-L527 WeakPolarHBondContact O-CB 3.29Å; A523-L527 WeakPolarHBondContact O-CD1 3.48Å; A523-L527 VanDerWaalsContact O-CG 3.23Å; A523-L527 WeakPolarHBondContact O-CG 3.34Å; A523-L527 PolarHBondContact O-N 3.07Å
524	F	85.3	Confident	78.9	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-47.3	175.6	-177.9	-111.6	0	0	0	112.5	L502 F520 W521 Y522 N526 L527 L528 L537 L539 P616	L502-F524 HydrophobicContact CB-CD2 4.44Å; L502-F524 HydrophobicContact CD1-CB 3.92Å; L502-F524 HydrophobicContact CD1-CD2 4.02Å; L502-F524 HydrophobicContact CD1-CG 4.47Å; F520-F524 VanDerWaalsContact O-CB 3.32Å; F520-F524 WeakPolarHBondContact O-CB 3.44Å; F520-F524 PolarHBondContact O-N 3.37Å; W521-F524 WeakPolarHBondContact O-CB 3.33Å; W521-F524 PolarHBondContact O-N 2.9Å; Y522-F524 VanDerWaalsContact C-N 3.3Å; Y522-F524 PolarHBondContact O-N 3.01Å; F524-N526 PolarHBondContact O-N 3.3Å; F524-L527 PolarHBondContact O-N 2.95Å; F524-L528 HydrophobicContact CD1-CD1 3.76Å; F524-L528 HydrophobicContact CD1-CG 4.45Å; F524-L528 HydrophobicContact CE1-CD1 3.39Å; F524-L528 HydrophobicContact CE1-CG 4.18Å; F524-L528 HydrophobicContact CG-CD1 4.48Å; F524-L528 HydrophobicContact CZ-CD1 3.82Å; F524-L528 HydrophobicContact CZ-CD2 4.22Å; F524-L528 HydrophobicContact CZ-CG 4.19Å; F524-L528 WeakPolarHBondContact O-CG 3.24Å; F524-L528 PolarHBondContact O-N 3.28Å; F524-L537 HydrophobicContact CD2-CD1 4.13Å; F524-L537 HydrophobicContact CD2-CD2 4.12Å; F524-L537 HydrophobicContact CD2-CG 4.08Å; F524-L537 HydrophobicContact CE2-CD1 3.95Å; F524-L537 HydrophobicContact CE2-CD2 4Å; F524-L537 HydrophobicContact CE2-CG 3.61Å; F524-L537 HydrophobicContact CZ-CG 4.5Å; F524-L539 HydrophobicContact CD1-CB 4.37Å; F524-L539 HydrophobicContact CD1-CD2 4.42Å; F524-L539 HydrophobicContact CD2-CB 3.95Å; F524-L539 HydrophobicContact CE1-CB 4.02Å; F524-L539 HydrophobicContact CE2-CB 3.56Å; F524-L539 HydrophobicContact CG-CB 4.34Å; F524-L539 HydrophobicContact CZ-CB 3.62Å; F524-P616 WeakPolarHBondContact CE1-O 3.43Å
525	Q	80.3	Confident	77.4	Confident	18 Å²	18	37.6 Å²	37.6	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-40.6	178.3	-67.7	-61.5	-28.1	0	0	112.4	W521 Y522 L527 L528 S529 Y627	W521-Q525 HydrophobicContact CD2-CG 4.15Å; W521-Q525 HydrophobicContact CE3-CG 4.47Å; W521-Q525 HydrophobicContact CH2-CG 4.32Å; W521-Q525 HydrophobicContact CZ2-CG 3.97Å; W521-Q525 VanDerWaalsContact O-CG 3.29Å; W521-Q525 WeakPolarHBondContact O-CG 3.5Å; W521-Q525 PolarHBondContact O-N 3.43Å; Y522-Q525 PolarHBondContact O-N 3.2Å; Q525-L527 VanDerWaalsContact C-N 3.35Å; Q525-L528 WeakPolarHBondContact O-CB 3.25Å; Q525-L528 PolarHBondContact O-N 2.91Å; Q525-S529 PolarHBondContact O-N 3.48Å; Q525-Y627 HydrophobicContact CG-CE2 4.46Å
526	N	82.6	Confident	76.4	Confident	55 Å²	55	37.5 Å²	37.5	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-66.4	-37.9	177.2	-167.5	3.7	0	0	0	111.5	I478 Y522 A523 F524 S529 H530	I478-N526 HydrophobicContact CG2-CB 4.39Å; Y522-N526 WeakPolarHBondContact O-CB 3.23Å; Y522-N526 PolarHBondContact O-N 3.3Å; A523-N526 PolarHBondContact O-N 2.93Å; F524-N526 PolarHBondContact O-N 3.3Å; N526-S529 PolarHBondContact O-N 3.36Å; N526-S529 PolarHBondContact O-OG 3.44Å; N526-H530 PolarHBondContact O-N 2.84Å; N526-H530 PolarHBondContact O-ND1 2.98Å; N526-H530 PolarHBondContact OD1-CE1 3.34Å; N526-H530 PolarHBondContact OD1-ND1 3.12Å; N526-H530 VanDerWaalsContact OD1-ND1 3.12Å
527	L	80.7	Confident	75.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-40.6	172.2	-69.5	165.3	0	0	0	111.9	L420 I478 V481 F482 L502 A523 F524 Q525 H530 N531 L537	L420-L527 HydrophobicContact CD2-CD1 3.41Å; L420-L527 VanDerWaalsContact CD2-CD1 3.41Å; I478-L527 HydrophobicContact CD1-CG 4.41Å; I478-L527 HydrophobicContact CG2-CD2 4.08Å; I478-L527 HydrophobicContact CG2-CG 4.34Å; V481-L527 HydrophobicContact CG1-CD2 4.21Å; F482-L527 HydrophobicContact CD1-CD2 4.38Å; F482-L527 HydrophobicContact CE1-CD2 3.68Å; F482-L527 HydrophobicContact CE2-CD2 4.42Å; F482-L527 HydrophobicContact CZ-CD2 3.68Å; L502-L527 HydrophobicContact CD1-CD1 4.14Å; A523-L527 WeakPolarHBondContact O-CB 3.29Å; A523-L527 WeakPolarHBondContact O-CD1 3.48Å; A523-L527 VanDerWaalsContact O-CG 3.23Å; A523-L527 WeakPolarHBondContact O-CG 3.34Å; A523-L527 PolarHBondContact O-N 3.07Å; F524-L527 PolarHBondContact O-N 2.95Å; Q525-L527 VanDerWaalsContact C-N 3.35Å; L527-H530 PolarHBondContact O-N 2.65Å; L527-N531 PolarHBondContact O-N 3.33Å; L527-L537 HydrophobicContact CB-CD2 3.62Å
528	L	76.7	Confident	75.4	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-43.8	174.7	-72.3	170.8	0	0	0	111.9	F524 Q525 H530 N531 Y534 L537 L621	F524-L528 HydrophobicContact CD1-CD1 3.76Å; F524-L528 HydrophobicContact CD1-CG 4.45Å; F524-L528 HydrophobicContact CE1-CD1 3.39Å; F524-L528 HydrophobicContact CE1-CG 4.18Å; F524-L528 HydrophobicContact CG-CD1 4.48Å; F524-L528 HydrophobicContact CZ-CD1 3.82Å; F524-L528 HydrophobicContact CZ-CD2 4.22Å; F524-L528 HydrophobicContact CZ-CG 4.19Å; F524-L528 WeakPolarHBondContact O-CG 3.24Å; F524-L528 PolarHBondContact O-N 3.28Å; Q525-L528 WeakPolarHBondContact O-CB 3.25Å; Q525-L528 PolarHBondContact O-N 2.91Å; L528-H530 PolarHBondContact O-N 3.24Å; L528-N531 CarbonylContact O-C 3.58Å; L528-N531 VanDerWaalsContact O-C 3.29Å; L528-N531 PolarHBondContact O-N 3.46Å; L528-N531 VanDerWaalsContact O-N 3.07Å; L528-Y534 HydrophobicContact CB-CE1 4.45Å; L528-Y534 HydrophobicContact CD2-CD1 3.78Å; L528-Y534 HydrophobicContact CD2-CE1 4.28Å; L528-L537 HydrophobicContact CD2-CB 4.43Å; L528-L537 HydrophobicContact CD2-CD2 3.69Å; L528-L537 HydrophobicContact CD2-CG 4.2Å; L528-L537 HydrophobicContact CG-CD2 3.8Å; L528-L621 HydrophobicContact CD1-CD1 3.92Å
529	S	75.2	Confident	75.3	Confident	83 Å²	83	36.9 Å²	36.9	58%	0.58	20%	0.201	S	C	*	.	H	α-helix	trans	-65	-27.9	-177.9	63.5	0	0	0	0	113.5	Q525 N526	Q525-S529 PolarHBondContact O-N 3.48Å; N526-S529 PolarHBondContact O-N 3.36Å; N526-S529 PolarHBondContact O-OG 3.44Å
530	H	73.2	Confident	75.2	Confident	116 Å²	116	33.7 Å²	33.7	54%	0.537	19%	0.189	S	C	.	.	H	α-helix	trans	-86.5	-13.2	175.5	-71.9	83.8	0	0	0	113.5	F482 N526 L527 L528	F482-H530 HydrophobicContact CE1-CB 3.79Å; F482-H530 HydrophobicContact CE2-CB 4.1Å; F482-H530 AromaticContact CE2-CG 3.73Å; F482-H530 AromaticContact CE2-ND1 3.83Å; F482-H530 HydrophobicContact CZ-CB 3.33Å; F482-H530 AromaticContact CZ-CG 3.47Å; F482-H530 VanDerWaalsContact CZ-CG 3.47Å; F482-H530 AromaticContact CZ-ND1 3.75Å; N526-H530 PolarHBondContact O-N 2.84Å; N526-H530 PolarHBondContact O-ND1 2.98Å; N526-H530 PolarHBondContact OD1-CE1 3.34Å; N526-H530 PolarHBondContact OD1-ND1 3.12Å; N526-H530 VanDerWaalsContact OD1-ND1 3.12Å; L527-H530 PolarHBondContact O-N 2.65Å; L528-H530 PolarHBondContact O-N 3.24Å
531	N	65.4	Low	75.2	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.043	19%	0.189	C	C	.	.			trans	-129.4	84.2	-179.8	-171.5	7.7	0	0	0	111.8	F490 L527 L528 A533 S536	F490-N531 HydrophobicContact CD1-CB 3.77Å; F490-N531 WeakPolarHBondContact CD1-ND2 3.45Å; F490-N531 HydrophobicContact CE1-CB 4.05Å; L527-N531 PolarHBondContact O-N 3.33Å; L528-N531 CarbonylContact O-C 3.58Å; L528-N531 VanDerWaalsContact O-C 3.29Å; L528-N531 PolarHBondContact O-N 3.46Å; L528-N531 VanDerWaalsContact O-N 3.07Å; N531-A533 PolarHBondContact O-N 2.78Å; N531-A533 VanDerWaalsContact O-N 3.09Å; N531-A533 PolarHBondContact OD1-N 3.41Å; N531-S536 PolarHBondContact ND2-OG 3.06Å
532	P	52.8	Low	75.4	Confident	96 Å²	96	33.5 Å²	33.5	62%	0.623	19%	0.188	S	C	*	.			trans	-64.1	-14.8	178.9	-18.1	30.1	0	0	0	113.7	Y534	P532-Y534 WeakPolarHBondContact O-CD2 3.22Å; P532-Y534 WeakPolarHBondContact O-CE2 3.39Å; P532-Y534 PolarHBondContact O-N 3.25Å
533	A	54.7	Low	75.5	Confident	53 Å²	53	32.1 Å²	32.1	44%	0.438	19%	0.186	S	C	.	.			trans	-77.5	67.7	170	0	0	0	0	0	109.4	N531 S535 S536	N531-A533 PolarHBondContact O-N 2.78Å; N531-A533 VanDerWaalsContact O-N 3.09Å; N531-A533 PolarHBondContact OD1-N 3.41Å; A533-S535 PolarHBondContact O-N 3.18Å; A533-S536 PolarHBondContact O-N 3.48Å; A533-S536 PolarHBondContact O-OG 2.96Å
534	Y	52.7	Low	75.7	Confident	64 Å²	64	36.9 Å²	36.9	25%	0.251	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-45.8	-27.9	-176.6	-63.6	-69.1	0	0	0	114.4	L528 P532 S536 L537 S618	L528-Y534 HydrophobicContact CB-CE1 4.45Å; L528-Y534 HydrophobicContact CD2-CD1 3.78Å; L528-Y534 HydrophobicContact CD2-CE1 4.28Å; P532-Y534 WeakPolarHBondContact O-CD2 3.22Å; P532-Y534 WeakPolarHBondContact O-CE2 3.39Å; P532-Y534 PolarHBondContact O-N 3.25Å; Y534-S536 PolarHBondContact O-N 2.66Å; Y534-L537 PolarHBondContact O-N 2.88Å; Y534-S618 WeakPolarHBondContact O-CB 3.04Å; Y534-S618 PolarHBondContact O-OG 3.46Å; Y534-S618 VanDerWaalsContact O-OG 3.11Å
535	S	58	Low	76.1	Confident	77 Å²	77	36.9 Å²	36.9	54%	0.538	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.6	-16.9	-175.3	52.9	0	0	0	0	115.8	A533	A533-S535 PolarHBondContact O-N 3.18Å
536	S	67.8	Low	76.8	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.042	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-102.3	-13.6	-177.5	59.9	0	0	0	0	115.7	S498 T499 L500 N531 A533 Y534	S498-S536 WeakPolarHBondContact O-CB 3.48Å; T499-S536 CarbonylContact C-O 3.57Å; T499-S536 VanDerWaalsContact CA-O 3.28Å; T499-S536 WeakPolarHBondContact CA-O 3.47Å; T499-S536 WeakPolarHBondContact CG2-O 3.47Å; L500-S536 PolarHBondContact N-O 3.04Å; N531-S536 PolarHBondContact ND2-OG 3.06Å; A533-S536 PolarHBondContact O-N 3.48Å; A533-S536 PolarHBondContact O-OG 2.96Å; Y534-S536 PolarHBondContact O-N 2.66Å
537	L	77.1	Confident	77.4	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.1	-176.3	171	57.1	0	0	0	111.3	L500 F524 L527 L528 Y534 S618	L500-L537 HydrophobicContact CB-CD1 4.29Å; L500-L537 HydrophobicContact CD2-CD1 3.84Å; L500-L537 HydrophobicContact CG-CD1 3.93Å; L500-L537 CarbonylContact O-C 3.47Å; L500-L537 WeakPolarHBondContact O-CA 3.46Å; F524-L537 HydrophobicContact CD2-CD1 4.13Å; F524-L537 HydrophobicContact CD2-CD2 4.12Å; F524-L537 HydrophobicContact CD2-CG 4.08Å; F524-L537 HydrophobicContact CE2-CD1 3.95Å; F524-L537 HydrophobicContact CE2-CD2 4Å; F524-L537 HydrophobicContact CE2-CG 3.61Å; F524-L537 HydrophobicContact CZ-CG 4.5Å; L527-L537 HydrophobicContact CB-CD2 3.62Å; L528-L537 HydrophobicContact CD2-CB 4.43Å; L528-L537 HydrophobicContact CD2-CD2 3.69Å; L528-L537 HydrophobicContact CD2-CG 4.2Å; L528-L537 HydrophobicContact CG-CD2 3.8Å; Y534-L537 PolarHBondContact O-N 2.88Å; L537-S618 WeakPolarHBondContact O-CB 3.06Å; L537-S618 PolarHBondContact O-OG 3.45Å
538	Y	79.1	Confident	78.1	Confident	56 Å²	56	38 Å²	38	22%	0.22	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118	-176.5	-174.9	-103.5	0	0	0	112.1	L500 I501 L502 F540 N617 N660	L500-Y538 PolarHBondContact O-N 3.3Å; I501-Y538 WeakPolarHBondContact CA-O 3.4Å; I501-Y538 HydrophobicContact CG1-CD1 4.32Å; L502-Y538 PolarHBondContact N-O 2.9Å; Y538-F540 HydrophobicContact CD1-CB 3.86Å; Y538-F540 AromaticContact CD1-CD2 3.97Å; Y538-F540 HydrophobicContact CD1-CD2 3.97Å; Y538-F540 HydrophobicContact CD1-CG 4.42Å; Y538-F540 VanDerWaalsContact CE1-CA 3.48Å; Y538-F540 HydrophobicContact CE1-CB 3.88Å; Y538-F540 AromaticContact CE1-CD2 3.54Å; Y538-F540 HydrophobicContact CE1-CD2 3.54Å; Y538-F540 HydrophobicContact CE1-CE2 4.45Å; Y538-F540 HydrophobicContact CE1-CG 4.11Å; Y538-F540 PolarHBondContact O-N 2.95Å; Y538-N617 HydrophobicContact CD2-CB 3.68Å; Y538-N617 HydrophobicContact CE2-CB 3.55Å; Y538-N660 PolarHBondContact OH-ND2 3.28Å
539	L	85.5	Confident	79.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	105.4	165.7	177.4	62	0	0	0	108.5	L502 F520 F524 L615	L502-L539 HydrophobicContact CB-CD1 4.45Å; L502-L539 HydrophobicContact CD2-CD1 3.62Å; F520-L539 HydrophobicContact CD2-CD1 4.14Å; F520-L539 HydrophobicContact CE2-CD1 4.19Å; F520-L539 HydrophobicContact CE2-CD2 4.45Å; F524-L539 HydrophobicContact CD1-CB 4.37Å; F524-L539 HydrophobicContact CD1-CD2 4.42Å; F524-L539 HydrophobicContact CD2-CB 3.95Å; F524-L539 HydrophobicContact CE1-CB 4.02Å; F524-L539 HydrophobicContact CE2-CB 3.56Å; F524-L539 HydrophobicContact CG-CB 4.34Å; F524-L539 HydrophobicContact CZ-CB 3.62Å; L539-L615 HydrophobicContact CD2-CB 3.79Å
540	F	85.7	Confident	80.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-42.2	-177.3	-172.7	-90.7	0	0	0	112.2	I401 S404 L405 V408 I501 L502 I503 Y538 N660	I401-F540 HydrophobicContact CD1-CD1 4.48Å; I401-F540 HydrophobicContact CG1-CD1 4.11Å; I401-F540 HydrophobicContact CG1-CE1 3.91Å; S404-F540 WeakPolarHBondContact OG-CZ 3.17Å; L405-F540 HydrophobicContact CB-CE1 4.45Å; L405-F540 HydrophobicContact CB-CZ 4.24Å; L405-F540 HydrophobicContact CD1-CD2 4.21Å; L405-F540 HydrophobicContact CD1-CE2 4.1Å; L405-F540 HydrophobicContact CD1-CZ 4.32Å; V408-F540 HydrophobicContact CB-CE2 4.47Å; V408-F540 HydrophobicContact CG2-CE2 3.94Å; I501-F540 HydrophobicContact CG2-CB 3.64Å; I501-F540 HydrophobicContact CG2-CD2 4.29Å; I501-F540 HydrophobicContact CG2-CG 4.11Å; L502-F540 WeakPolarHBondContact O-CB 3.32Å; L502-F540 PolarHBondContact O-N 2.78Å; I503-F540 HydrophobicContact CD1-CD1 4.22Å; I503-F540 HydrophobicContact CG1-CB 3.95Å; I503-F540 HydrophobicContact CG1-CD1 3.94Å; I503-F540 HydrophobicContact CG1-CG 4.23Å; Y538-F540 HydrophobicContact CD1-CB 3.86Å; Y538-F540 AromaticContact CD1-CD2 3.97Å; Y538-F540 HydrophobicContact CD1-CD2 3.97Å; Y538-F540 HydrophobicContact CD1-CG 4.42Å; Y538-F540 VanDerWaalsContact CE1-CA 3.48Å; Y538-F540 HydrophobicContact CE1-CB 3.88Å; Y538-F540 AromaticContact CE1-CD2 3.54Å; Y538-F540 HydrophobicContact CE1-CD2 3.54Å; Y538-F540 HydrophobicContact CE1-CE2 4.45Å; Y538-F540 HydrophobicContact CE1-CG 4.11Å; Y538-F540 PolarHBondContact O-N 2.95Å; F540-N660 WeakPolarHBondContact O-CB 3.33Å
541	S	88.2	Confident	81.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	149.9	179.7	-145.9	0	0	0	0	112.2	S504 Y659 N660	S504-S541 PolarHBondContact N-O 3.09Å; S541-Y659 VanDerWaalsContact OG-CA 3.32Å; S541-Y659 WeakPolarHBondContact OG-CA 3.41Å; S541-Y659 WeakPolarHBondContact OG-CD1 3.48Å; S541-Y659 WeakPolarHBondContact OG-CE1 3.35Å; S541-N660 PolarHBondContact OG-N 3.09Å
542	P	91.3	Very high	82.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.			cis	-72.3	159.8	-9	32.9	-35.5	0	0	0	112.5	F520 L615 W657 L658 Y659	F520-P542 HydrophobicContact CE1-CG 3.91Å; F520-P542 HydrophobicContact CE2-CG 3.83Å; F520-P542 HydrophobicContact CZ-CG 3.38Å; P542-L615 HydrophobicContact CB-CD1 4.43Å; P542-L615 HydrophobicContact CG-CD1 4.11Å; P542-W657 HydrophobicContact CB-CB 4.08Å; P542-W657 HydrophobicContact CB-CE3 4.06Å; P542-W657 HydrophobicContact CG-CD2 4.37Å; P542-W657 HydrophobicContact CG-CE3 3.67Å; P542-W657 HydrophobicContact CG-CZ3 4.22Å; P542-L658 WeakPolarHBondContact CA-O 3.09Å; P542-Y659 HydrophobicContact CB-CE1 4.32Å; P542-Y659 HydrophobicContact CB-CE2 4.31Å
543	V	87.7	Confident	84.9	Confident	30 Å²	30	24.5 Å²	24.5	18%	0.182	12%	0.123	C	C	.	.			trans	-113.3	-13.2	-175.5	-63.3	0	0	0	0	113.9	L615 L658 N660	V543-L615 WeakPolarHBondContact O-CB 3.43Å; V543-L615 PolarHBondContact O-N 2.81Å; V543-L658 HydrophobicContact CG2-CB 4.18Å; V543-L658 HydrophobicContact CG2-CD2 3.97Å; V543-L658 HydrophobicContact CG2-CG 3.81Å; V543-L658 WeakPolarHBondContact CG2-O 3.45Å; V543-L658 PolarHBondContact N-O 3.35Å; V543-N660 HydrophobicContact CG1-CB 4.2Å
544	R	90.4	Very high	86.9	Confident	102 Å²	102	22 Å²	22	39%	0.385	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152	170.7	-57.7	-174.1	-179.4	175.1	-0.7	111.1	M613 W657 L658 W672	R544-M613 CarbonylContact C-O 3.47Å; R544-M613 VanDerWaalsContact CA-O 3.29Å; R544-M613 WeakPolarHBondContact CA-O 3.41Å; R544-W657 WeakPolarHBondContact O-CA 3.16Å; R544-L658 HydrophobicContact CB-CB 3.77Å; R544-L658 HydrophobicContact CB-CD2 4.22Å; R544-L658 HydrophobicContact CG-CB 4.34Å; R544-L658 HydrophobicContact CG-CD2 3.9Å; R544-L658 PolarHBondContact O-N 2.74Å; R544-W672 HydrophobicContact CB-CH2 3.92Å; R544-W672 HydrophobicContact CB-CZ3 4.25Å
545	L	93.3	Very high	88.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.1	171.8	167.5	62.4	0	0	0	109.3	L518 I547 F611 E612 M613 C655 E656 W657	L518-L545 HydrophobicContact CD1-CD2 3.99Å; L518-L545 HydrophobicContact CD2-CD2 3.89Å; L518-L545 HydrophobicContact CG-CD2 4.1Å; L545-I547 HydrophobicContact CD1-CG1 4.25Å; L545-I547 HydrophobicContact CG-CG1 4.42Å; L545-F611 HydrophobicContact CD2-CE1 4.14Å; L545-E612 CarbonylContact O-C 3.42Å; L545-E612 WeakPolarHBondContact O-CA 3.22Å; L545-M613 HydrophobicContact CB-CB 4.4Å; L545-M613 PolarHBondContact N-O 2.77Å; L545-M613 PolarHBondContact O-N 2.96Å; L545-C655 HydrophobicContact CD1-CB 3.66Å; L545-E656 WeakPolarHBondContact CA-O 3.41Å; L545-W657 HydrophobicContact CB-CE3 3.97Å; L545-W657 HydrophobicContact CB-CH2 4.43Å; L545-W657 HydrophobicContact CB-CZ3 3.77Å; L545-W657 HydrophobicContact CD1-CD2 4.06Å; L545-W657 HydrophobicContact CD1-CE3 3.98Å; L545-W657 HydrophobicContact CD1-CH2 3.8Å; L545-W657 HydrophobicContact CD1-CZ2 3.85Å; L545-W657 HydrophobicContact CD1-CZ3 3.86Å; L545-W657 HydrophobicContact CD2-CH2 3.94Å; L545-W657 HydrophobicContact CD2-CZ3 4.07Å; L545-W657 HydrophobicContact CG-CE3 4.47Å; L545-W657 HydrophobicContact CG-CH2 4.27Å; L545-W657 HydrophobicContact CG-CZ3 4.11Å
546	R	94.3	Very high	90.5	Very high	59 Å²	59	22.8 Å²	22.8	22%	0.223	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.1	165.7	-73.4	176.1	176.2	169.5	0.6	109.9	Y548 V609 F611 E612 C655 E656 W672	R546-Y548 HydrophobicContact CB-CD2 4.39Å; R546-Y548 HydrophobicContact CB-CE2 3.88Å; R546-V609 HydrophobicContact CB-CG1 4.29Å; R546-V609 HydrophobicContact CG-CG1 4.24Å; R546-F611 WeakPolarHBondContact CA-O 3.34Å; R546-E612 HydrophobicContact CG-CB 4.34Å; R546-E612 HydrophobicContact CG-CG 3.97Å; R546-E612 IonicContact CZ-OE1 2.83Å; R546-E612 IonicContact NE-OE1 3.62Å; R546-E612 PolarHBondContact NE-OE1 2.72Å; R546-E612 IonicContact NH2-OE1 3.09Å; R546-E612 PolarHBondContact NH2-OE1 3.39Å; R546-C655 CarbonylContact O-C 3.59Å; R546-C655 WeakPolarHBondContact O-CA 3.3Å; R546-E656 PolarHBondContact N-O 2.87Å; R546-E656 PolarHBondContact O-N 3.26Å; R546-W672 HydrophobicContact CB-CZ3 4.25Å; R546-W672 HydrophobicContact CG-CH2 3.82Å; R546-W672 HydrophobicContact CG-CZ3 3.76Å; R546-W672 VanDerWaalsContact NE-CH2 3.32Å
547	I	95.8	Very high	91.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.6	170.6	-57.2	170.4	0	0	0	108.2	W515 L545 V609 I610 F611 W654 C655 M722 L731	W515-I547 HydrophobicContact CB-CD1 3.85Å; W515-I547 HydrophobicContact CD2-CD1 3.9Å; W515-I547 HydrophobicContact CE3-CD1 3.74Å; W515-I547 HydrophobicContact CE3-CG1 4.15Å; W515-I547 HydrophobicContact CE3-CG2 3.85Å; W515-I547 HydrophobicContact CG-CD1 3.99Å; W515-I547 HydrophobicContact CZ3-CG2 3.77Å; L545-I547 HydrophobicContact CD1-CG1 4.25Å; L545-I547 HydrophobicContact CG-CG1 4.42Å; I547-V609 CarbonylContact O-C 3.57Å; I547-V609 WeakPolarHBondContact O-CA 3.38Å; I547-I610 HydrophobicContact CG2-CD1 4.49Å; I547-I610 HydrophobicContact CG2-CG1 4.3Å; I547-I610 PolarHBondContact O-N 3.37Å; I547-F611 HydrophobicContact CB-CB 4.14Å; I547-F611 HydrophobicContact CD1-CB 4.34Å; I547-F611 HydrophobicContact CD1-CD1 3.75Å; I547-F611 HydrophobicContact CD1-CE1 4.43Å; I547-F611 HydrophobicContact CD1-CG 4.29Å; I547-F611 HydrophobicContact CG1-CD1 4.12Å; I547-F611 PolarHBondContact N-O 3.49Å; I547-F611 PolarHBondContact O-N 3.09Å; I547-W654 WeakPolarHBondContact CA-O 3.3Å; I547-C655 HydrophobicContact CG1-CB 4.44Å; I547-M722 HydrophobicContact CD1-CE 4.42Å; I547-M722 HydrophobicContact CD1-SD 3.35Å; I547-M722 WeakPolarHBondContact CD1-SD 3.49Å; I547-M722 HydrophobicContact CG2-CE 4.21Å; I547-M722 HydrophobicContact CG2-SD 4.27Å; I547-L731 HydrophobicContact CD1-CD1 3.84Å; I547-L731 HydrophobicContact CD1-CD2 4.49Å
548	Y	96.3	Very high	92.3	Very high	37 Å²	37	25.5 Å²	25.5	15%	0.145	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	152.7	179.5	-73	-102.9	0	0	0	110.9	R546 A607 C608 V609 L653 W654 E656	R546-Y548 HydrophobicContact CB-CD2 4.39Å; R546-Y548 HydrophobicContact CB-CE2 3.88Å; Y548-A607 HydrophobicContact CD1-CB 4.25Å; Y548-C608 CarbonylContact C-O 3.42Å; Y548-C608 VanDerWaalsContact CA-O 3.24Å; Y548-C608 WeakPolarHBondContact CA-O 3.26Å; Y548-V609 HydrophobicContact CD1-CG2 3.91Å; Y548-V609 HydrophobicContact CD2-CG2 4.38Å; Y548-V609 HydrophobicContact CE1-CG2 3.45Å; Y548-V609 VanDerWaalsContact CE1-CG2 3.45Å; Y548-V609 HydrophobicContact CE2-CG2 3.95Å; Y548-V609 HydrophobicContact CG-CG2 4.37Å; Y548-L653 VanDerWaalsContact O-CA 3.28Å; Y548-L653 WeakPolarHBondContact O-CA 3.36Å; Y548-L653 WeakPolarHBondContact O-CD2 3.27Å; Y548-W654 VanDerWaalsContact CB-CE2 3.45Å; Y548-W654 HydrophobicContact CD1-CH2 4.42Å; Y548-W654 AromaticContact CD1-CZ2 3.93Å; Y548-W654 HydrophobicContact CD1-CZ2 3.93Å; Y548-W654 HydrophobicContact CD2-CZ2 4.25Å; Y548-W654 AromaticContact CD2-NE1 3.8Å; Y548-W654 AromaticContact CG-CE2 3.77Å; Y548-W654 HydrophobicContact CG-CH2 4.21Å; Y548-W654 AromaticContact CG-CZ2 3.61Å; Y548-W654 HydrophobicContact CG-CZ2 3.61Å; Y548-W654 PolarHBondContact N-O 2.72Å; Y548-W654 PolarHBondContact O-N 3.46Å; Y548-E656 HydrophobicContact CD2-CG 3.96Å; Y548-E656 HydrophobicContact CE2-CB 4.26Å; Y548-E656 HydrophobicContact CE2-CG 3.55Å; Y548-E656 WeakPolarHBondContact CE2-OE2 3.5Å; Y548-E656 VanDerWaalsContact CZ-OE2 3.31Å; Y548-E656 PolarHBondContact OH-OE2 3.37Å
549	A	97.1	Very high	92.7	Very high	0 Å²	0	27 Å²	27	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.4	168.1	0	0	0	0	0	110.1	A607 C608 I610 L641 I651 A652 L653	A549-A607 WeakPolarHBondContact O-CA 3.48Å; A549-C608 PolarHBondContact N-O 3.07Å; A549-C608 PolarHBondContact O-N 3.22Å; A549-I610 HydrophobicContact CB-CD1 4.13Å; A549-I610 HydrophobicContact CB-CG1 4.32Å; A549-I610 HydrophobicContact CB-CG2 3.69Å; A549-L641 HydrophobicContact CB-CD1 4.01Å; A549-I651 HydrophobicContact CB-CG2 3.88Å; A549-A652 WeakPolarHBondContact CA-O 3.23Å; A549-L653 HydrophobicContact CB-CD2 3.64Å
550	I	97.5	Very high	92.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.7	172.5	-167.4	172.1	0	0	0	109.8	V552 A603 S605 A607 I651 A652 W654 T682 I688 W690	I550-V552 HydrophobicContact CG2-CG2 3.81Å; I550-A603 HydrophobicContact CD1-CB 3.89Å; I550-S605 WeakPolarHBondContact CD1-O 2.78Å; I550-S605 WeakPolarHBondContact CG1-O 3.22Å; I550-A607 HydrophobicContact CB-CB 4.38Å; I550-A607 HydrophobicContact CD1-CB 4.31Å; I550-I651 VanDerWaalsContact O-CA 3.3Å; I550-I651 WeakPolarHBondContact O-CA 3.49Å; I550-I651 WeakPolarHBondContact O-CG2 3.4Å; I550-A652 HydrophobicContact CG2-CB 3.93Å; I550-A652 PolarHBondContact N-O 3.41Å; I550-A652 PolarHBondContact O-N 2.93Å; I550-W654 HydrophobicContact CB-CH2 4.45Å; I550-W654 HydrophobicContact CB-CZ3 4.14Å; I550-W654 HydrophobicContact CG2-CH2 4.38Å; I550-W654 HydrophobicContact CG2-CZ3 3.72Å; I550-T682 HydrophobicContact CD1-CG2 4.02Å; I550-I688 HydrophobicContact CD1-CD1 3.98Å; I550-I688 HydrophobicContact CG2-CD1 4.15Å; I550-W690 HydrophobicContact CG2-CH2 4.27Å
551	L	97.3	Very high	92.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134	172.5	-63.4	-174.9	0	0	0	110.2	R604 S605 L641 A643 V648 I651 F702 I718	L551-R604 HydrophobicContact CB-CB 4.13Å; L551-R604 PolarHBondContact O-N 3.18Å; L551-S605 PolarHBondContact N-OG 3.05Å; L551-L641 HydrophobicContact CD1-CB 3.84Å; L551-L641 HydrophobicContact CD2-CB 4.06Å; L551-L641 HydrophobicContact CD2-CD1 3.83Å; L551-L641 HydrophobicContact CG-CB 3.74Å; L551-L641 HydrophobicContact CG-CD1 4.12Å; L551-L641 HydrophobicContact CG-CG 4.4Å; L551-A643 HydrophobicContact CD1-CB 3.77Å; L551-V648 HydrophobicContact CB-CG2 3.83Å; L551-V648 HydrophobicContact CD2-CG2 4.49Å; L551-V648 HydrophobicContact CG-CG2 4.48Å; L551-I651 HydrophobicContact CD2-CD1 4.13Å; L551-I651 HydrophobicContact CD2-CG1 3.79Å; L551-F702 HydrophobicContact CD2-CZ 4.3Å; L551-I718 HydrophobicContact CD1-CD1 4.48Å; L551-I718 HydrophobicContact CD2-CD1 3.74Å
552	V	97.3	Very high	92.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.8	-175.2	-172.7	0	0	0	0	110.8	I550 F554 N601 V648 N649 G650 A652 I688	I550-V552 HydrophobicContact CG2-CG2 3.81Å; V552-F554 HydrophobicContact CB-CD2 4.29Å; V552-F554 HydrophobicContact CB-CE1 4.16Å; V552-F554 HydrophobicContact CB-CE2 3.84Å; V552-F554 HydrophobicContact CB-CZ 3.77Å; V552-F554 HydrophobicContact CG1-CD1 3.73Å; V552-F554 HydrophobicContact CG1-CD2 4.14Å; V552-F554 HydrophobicContact CG1-CE1 3.51Å; V552-F554 HydrophobicContact CG1-CE2 3.98Å; V552-F554 HydrophobicContact CG1-CG 4.03Å; V552-F554 HydrophobicContact CG1-CZ 3.67Å; V552-F554 HydrophobicContact CG2-CZ 4.24Å; V552-N601 HydrophobicContact CG1-CB 3.62Å; V552-V648 WeakPolarHBondContact O-CG2 3.23Å; V552-N649 PolarHBondContact O-N 2.95Å; V552-G650 PolarHBondContact N-O 3.03Å; V552-G650 PolarHBondContact O-N 3.17Å; V552-G650 VanDerWaalsContact O-N 3.09Å; V552-A652 HydrophobicContact CG2-CB 3.7Å; V552-I688 HydrophobicContact CG2-CD1 3.93Å
553	D	96	Very high	92.3	Very high	28 Å²	28	34.3 Å²	34.3	15%	0.15	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	97.8	162.9	-179.7	-0.1	0	0	0	107.5	N601 T602 R604 S647 N649	D553-N601 CarbonylContact O-C 3.58Å; D553-N601 VanDerWaalsContact O-CA 3.26Å; D553-N601 WeakPolarHBondContact O-CA 3.18Å; D553-T602 PolarHBondContact N-O 3.09Å; D553-T602 PolarHBondContact O-N 3.33Å; D553-R604 HydrophobicContact CB-CG 3.71Å; D553-R604 IonicContact OD2-CZ 3.95Å; D553-R604 IonicContact OD2-NE 3.99Å; D553-R604 PolarHBondContact OD2-NE 3.46Å; D553-R604 IonicContact OD2-NH2 3.94Å; D553-R604 PolarHBondContact OD2-NH2 3.3Å; D553-S647 VanDerWaalsContact OD2-CB 3.31Å; D553-S647 WeakPolarHBondContact OD2-CB 3.32Å; D553-S647 PolarHBondContact OD2-OG 2.94Å; D553-N649 PolarHBondContact OD1-ND2 2.95Å
554	F	96.3	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.6	172.4	-62.1	-71.7	0	0	0	109.3	V552 L557 W558 L596 N601 N649 A652 V699 L701	V552-F554 HydrophobicContact CB-CD2 4.29Å; V552-F554 HydrophobicContact CB-CE1 4.16Å; V552-F554 HydrophobicContact CB-CE2 3.84Å; V552-F554 HydrophobicContact CB-CZ 3.77Å; V552-F554 HydrophobicContact CG1-CD1 3.73Å; V552-F554 HydrophobicContact CG1-CD2 4.14Å; V552-F554 HydrophobicContact CG1-CE1 3.51Å; V552-F554 HydrophobicContact CG1-CE2 3.98Å; V552-F554 HydrophobicContact CG1-CG 4.03Å; V552-F554 HydrophobicContact CG1-CZ 3.67Å; V552-F554 HydrophobicContact CG2-CZ 4.24Å; F554-L557 HydrophobicContact CB-CB 3.93Å; F554-L557 HydrophobicContact CD1-CB 4.28Å; F554-L557 HydrophobicContact CD1-CD2 4.05Å; F554-L557 HydrophobicContact CD2-CD2 4.48Å; F554-L557 HydrophobicContact CE1-CD2 4.09Å; F554-L557 HydrophobicContact CE2-CD2 4.48Å; F554-L557 HydrophobicContact CG-CB 4.07Å; F554-L557 HydrophobicContact CG-CD2 4.26Å; F554-L557 HydrophobicContact CZ-CD2 4.29Å; F554-W558 PolarHBondContact O-NE1 2.99Å; F554-L596 HydrophobicContact CD1-CD2 4.36Å; F554-L596 HydrophobicContact CE1-CD1 4.17Å; F554-L596 HydrophobicContact CE1-CD2 3.45Å; F554-L596 VanDerWaalsContact CE1-CD2 3.45Å; F554-L596 HydrophobicContact CE1-CG 4.39Å; F554-L596 HydrophobicContact CZ-CD1 4.23Å; F554-L596 HydrophobicContact CZ-CD2 3.89Å; F554-N601 HydrophobicContact CD1-CB 3.87Å; F554-N601 HydrophobicContact CE1-CB 4.24Å; F554-N649 WeakPolarHBondContact CA-OD1 3.48Å; F554-N649 WeakPolarHBondContact CB-OD1 3.5Å; F554-N649 WeakPolarHBondContact CD2-OD1 3.23Å; F554-N649 PolarHBondContact N-ND2 2.75Å; F554-N649 PolarHBondContact N-OD1 3.5Å; F554-N649 PolarHBondContact O-ND2 3.16Å; F554-N649 VanDerWaalsContact O-ND2 3.07Å; F554-N649 PolarHBondContact O-OD1 3.13Å; F554-A652 HydrophobicContact CZ-CB 4.4Å; F554-V699 HydrophobicContact CE2-CG1 3.73Å; F554-V699 HydrophobicContact CZ-CG1 3.89Å; F554-L701 HydrophobicContact CD2-CD2 3.97Å; F554-L701 HydrophobicContact CE2-CD2 4.18Å
555	K	94.5	Very high	92.3	Very high	115 Å²	115	29 Å²	29	50%	0.5	13%	0.13	S	C	.	.	S	Bend	trans	-70.4	-40.7	179.6	-167	176.7	179.7	-170	0	112.2	P600	K555-P600 HydrophobicContact CB-CB 4.09Å; K555-P600 WeakPolarHBondContact CB-O 3.31Å; K555-P600 HydrophobicContact CD-CB 4.13Å; K555-P600 PolarHBondContact N-O 3.03Å
556	Y	91.9	Very high	92.1	Very high	42 Å²	42	34.4 Å²	34.4	17%	0.165	15%	0.154	C	C	.	.	S	Bend	trans	-130.5	-36.5	-172	-49.8	-60.9	0	0	0	114.3	W309 W558 R559 P600	W309-Y556 HydrophobicContact CB-CD2 4.44Å; W309-Y556 HydrophobicContact CB-CE2 3.83Å; W309-Y556 AromaticContact CD1-CE2 3.72Å; W309-Y556 AromaticContact CD2-CD2 3.23Å; W309-Y556 HydrophobicContact CD2-CD2 3.23Å; W309-Y556 AromaticContact CD2-CE2 3.52Å; W309-Y556 HydrophobicContact CD2-CE2 3.52Å; W309-Y556 AromaticContact CD2-CG 3.78Å; W309-Y556 HydrophobicContact CD2-CG 3.78Å; W309-Y556 AromaticContact CE2-CD2 3.48Å; W309-Y556 VanDerWaalsContact CE2-CD2 3.48Å; W309-Y556 AromaticContact CE2-CE2 3.96Å; W309-Y556 HydrophobicContact CE3-CD1 4.1Å; W309-Y556 AromaticContact CE3-CD2 3.47Å; W309-Y556 HydrophobicContact CE3-CD2 3.47Å; W309-Y556 VanDerWaalsContact CE3-CD2 3.47Å; W309-Y556 HydrophobicContact CE3-CE2 4.06Å; W309-Y556 AromaticContact CE3-CG 3.46Å; W309-Y556 HydrophobicContact CE3-CG 3.46Å; W309-Y556 VanDerWaalsContact CE3-CG 3.46Å; W309-Y556 AromaticContact CG-CD2 3.68Å; W309-Y556 HydrophobicContact CG-CD2 3.68Å; W309-Y556 AromaticContact CG-CE2 3.39Å; W309-Y556 HydrophobicContact CG-CE2 3.39Å; W309-Y556 HydrophobicContact CG-CG 4.46Å; W309-Y556 AromaticContact CG-CZ 3.99Å; W309-Y556 HydrophobicContact CH2-CD2 4.19Å; W309-Y556 HydrophobicContact CH2-CG 4.27Å; W309-Y556 AromaticContact CZ2-CD2 3.95Å; W309-Y556 HydrophobicContact CZ2-CD2 3.95Å; W309-Y556 HydrophobicContact CZ2-CG 4.49Å; W309-Y556 AromaticContact CZ3-CD2 3.96Å; W309-Y556 HydrophobicContact CZ3-CD2 3.96Å; W309-Y556 AromaticContact CZ3-CG 3.76Å; W309-Y556 HydrophobicContact CZ3-CG 3.76Å; W309-Y556 AromaticContact NE1-CD2 3.94Å; Y556-W558 PolarHBondContact O-N 2.82Å; Y556-W558 VanDerWaalsContact O-N 3.08Å; Y556-R559 VanDerWaalsContact O-CB 3.24Å; Y556-R559 WeakPolarHBondContact O-CB 3.41Å; Y556-R559 VanDerWaalsContact O-CG 3.26Å; Y556-R559 WeakPolarHBondContact O-CG 3.11Å; Y556-R559 PolarHBondContact O-N 3.38Å; Y556-P600 HydrophobicContact CE2-CG 4.36Å
557	L	92.6	Very high	91.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-51.7	-39.4	-171	-178.5	61.4	0	0	0	113.7	F554 R559 I560 H594 L596 Y599 V699 L701	F554-L557 HydrophobicContact CB-CB 3.93Å; F554-L557 HydrophobicContact CD1-CB 4.28Å; F554-L557 HydrophobicContact CD1-CD2 4.05Å; F554-L557 HydrophobicContact CD2-CD2 4.48Å; F554-L557 HydrophobicContact CE1-CD2 4.09Å; F554-L557 HydrophobicContact CE2-CD2 4.48Å; F554-L557 HydrophobicContact CG-CB 4.07Å; F554-L557 HydrophobicContact CG-CD2 4.26Å; F554-L557 HydrophobicContact CZ-CD2 4.29Å; L557-R559 PolarHBondContact O-N 2.9Å; L557-I560 HydrophobicContact CD1-CD1 3.82Å; L557-I560 WeakPolarHBondContact O-CG1 3.31Å; L557-I560 WeakPolarHBondContact O-CG2 3.47Å; L557-I560 PolarHBondContact O-N 3.2Å; L557-H594 HydrophobicContact CD2-CB 4.24Å; L557-L596 HydrophobicContact CD2-CD2 3.74Å; L557-Y599 HydrophobicContact CB-CD1 3.7Å; L557-Y599 HydrophobicContact CB-CE1 4.24Å; L557-Y599 HydrophobicContact CB-CG 4.15Å; L557-Y599 HydrophobicContact CD1-CD1 3.8Å; L557-Y599 HydrophobicContact CD1-CE1 3.49Å; L557-Y599 VanDerWaalsContact CD1-CE1 3.49Å; L557-Y599 HydrophobicContact CD1-CE2 4.37Å; L557-Y599 HydrophobicContact CD1-CG 4.32Å; L557-Y599 HydrophobicContact CD2-CG 4.34Å; L557-Y599 HydrophobicContact CG-CD1 4.19Å; L557-Y599 HydrophobicContact CG-CE1 4.37Å; L557-V699 HydrophobicContact CD2-CG1 4.1Å; L557-V699 HydrophobicContact CD2-CG2 4.32Å; L557-L701 HydrophobicContact CD2-CD2 4.49Å; L557-L701 HydrophobicContact CG-CD1 4.47Å; L557-L701 HydrophobicContact CG-CD2 4.28Å
558	W	89.5	Confident	91.3	Very high	66 Å²	66	37 Å²	37	25%	0.25	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-61	-18.6	179.6	68.1	-93.5	0	0	0	114.6	F554 Y556 I560 R561 S562 N649 L701	F554-W558 PolarHBondContact O-NE1 2.99Å; Y556-W558 PolarHBondContact O-N 2.82Å; Y556-W558 VanDerWaalsContact O-N 3.08Å; W558-I560 VanDerWaalsContact C-N 3.26Å; W558-I560 PolarHBondContact O-N 2.81Å; W558-R561 PolarHBondContact O-N 3.26Å; W558-S562 WeakPolarHBondContact CZ3-OG 3.5Å; W558-S562 PolarHBondContact O-N 3.5Å; W558-N649 HydrophobicContact CB-CB 4.12Å; W558-N649 HydrophobicContact CG-CB 4.12Å; W558-L701 HydrophobicContact CB-CD2 4.13Å
559	R	87.5	Confident	91.2	Very high	86 Å²	86	37.2 Å²	37.2	33%	0.325	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-66.7	-29	-178.3	-64.9	177.1	-173.3	-161.6	1.8	112.2	H26 Y556 L557 R561 S562	H26-R559 HydrophobicContact CB-CB 4.26Å; H26-R559 PolarHBondContact CD2-O 3.47Å; H26-R559 VanDerWaalsContact CD2-O 3.27Å; Y556-R559 VanDerWaalsContact O-CB 3.24Å; Y556-R559 WeakPolarHBondContact O-CB 3.41Å; Y556-R559 VanDerWaalsContact O-CG 3.26Å; Y556-R559 WeakPolarHBondContact O-CG 3.11Å; Y556-R559 PolarHBondContact O-N 3.38Å; L557-R559 PolarHBondContact O-N 2.9Å; R559-R561 PolarHBondContact O-N 3.39Å; R559-S562 PolarHBondContact O-N 3.43Å; R559-S562 VanDerWaalsContact O-N 3.07Å
560	I	84.9	Confident	90.9	Very high	30 Å²	30	42.4 Å²	42.4	15%	0.154	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-61.4	-27.8	-179.5	78.7	-172.6	0	0	0	112	D23 L557 W558 L701	D23-I560 HydrophobicContact CB-CG2 3.96Å; L557-I560 HydrophobicContact CD1-CD1 3.82Å; L557-I560 WeakPolarHBondContact O-CG1 3.31Å; L557-I560 WeakPolarHBondContact O-CG2 3.47Å; L557-I560 PolarHBondContact O-N 3.2Å; W558-I560 VanDerWaalsContact C-N 3.26Å; W558-I560 PolarHBondContact O-N 2.81Å; I560-L701 HydrophobicContact CD1-CD1 3.98Å; I560-L701 HydrophobicContact CG1-CD1 3.89Å
561	R	83.2	Confident	90.8	Very high	67 Å²	67	42.8 Å²	42.8	25%	0.253	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-108.2	9.3	177.4	-60.7	-52.7	-171.8	164.9	2.7	113.8	W558 R559 S584 D588 E592 L701	W558-R561 PolarHBondContact O-N 3.26Å; R559-R561 PolarHBondContact O-N 3.39Å; R561-S584 PolarHBondContact NH1-OG 2.81Å; R561-D588 IonicContact CZ-OD1 2.84Å; R561-D588 IonicContact CZ-OD2 3.97Å; R561-D588 IonicContact NH1-OD1 2.86Å; R561-D588 IonicContact NH1-OD2 3.61Å; R561-D588 PolarHBondContact NH1-OD2 2.74Å; R561-D588 VanDerWaalsContact NH2-CG 3.27Å; R561-D588 IonicContact NH2-OD1 3.69Å; R561-D588 PolarHBondContact NH2-OD1 3.06Å; R561-D588 IonicContact NH2-OD2 3.89Å; R561-D588 PolarHBondContact NH2-OD2 2.77Å; R561-E592 IonicContact CZ-OE1 2.77Å; R561-E592 IonicContact CZ-OE2 2.69Å; R561-E592 VanDerWaalsContact CZ-OE2 3.29Å; R561-E592 VanDerWaalsContact NE-CD 3.32Å; R561-E592 IonicContact NE-OE1 2.84Å; R561-E592 PolarHBondContact NE-OE1 3.33Å; R561-E592 IonicContact NE-OE2 2.91Å; R561-E592 PolarHBondContact NE-OE2 2.89Å; R561-E592 VanDerWaalsContact NE-OE2 3.1Å; R561-E592 IonicContact NH2-OE1 3.34Å; R561-E592 PolarHBondContact NH2-OE1 3.48Å; R561-E592 IonicContact NH2-OE2 2.67Å; R561-E592 PolarHBondContact NH2-OE2 3.17Å; R561-L701 HydrophobicContact CB-CB 4.49Å; R561-L701 HydrophobicContact CB-CD1 4.14Å; R561-L701 HydrophobicContact CG-CB 4.43Å; R561-L701 HydrophobicContact CG-CD1 3.66Å
562	S	86.3	Confident	90.7	Very high	19 Å²	19	43.4 Å²	43.4	13%	0.133	22%	0.221	C	C	.	.			trans	-90.3	134.4	-178.7	-171.2	0	0	0	0	111.4	H26 W558 R559	H26-S562 PolarHBondContact NE2-O 2.76Å; W558-S562 WeakPolarHBondContact CZ3-OG 3.5Å; W558-S562 PolarHBondContact O-N 3.5Å; R559-S562 PolarHBondContact O-N 3.43Å; R559-S562 VanDerWaalsContact O-N 3.07Å
563	P	88.4	Confident	90.6	Very high	39 Å²	39	43.4 Å²	43.4	25%	0.253	22%	0.221	S	C	.	.			trans	-62.3	148.7	169.7	28.7	-35.6	0	0	0	109.8	H26 D577 S704	H26-P563 PolarHBondContact CE1-O 3.02Å; H26-P563 VanDerWaalsContact CE1-O 3.32Å; H26-P563 PolarHBondContact NE2-O 2.73Å; P563-D577 VanDerWaalsContact CA-OD1 3.28Å; P563-D577 WeakPolarHBondContact CA-OD1 3.14Å; P563-D577 HydrophobicContact CB-CB 4.13Å; P563-S704 WeakPolarHBondContact CD-OG 3.39Å; P563-S704 WeakPolarHBondContact CG-OG 3.38Å
564	V	89.2	Confident	90.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	23%	0.233	C	C	.	.			trans	-87.2	-42.2	-178.9	-173.4	0	0	0	0	110.5	L25 F566 T567 C568 L573 D577	L25-V564 HydrophobicContact CB-CG1 4.15Å; L25-V564 HydrophobicContact CB-CG2 3.63Å; L25-V564 HydrophobicContact CD1-CG2 3.84Å; L25-V564 HydrophobicContact CG-CG2 4.4Å; V564-F566 PolarHBondContact O-N 2.96Å; V564-F566 VanDerWaalsContact O-N 3.16Å; V564-T567 WeakPolarHBondContact O-CB 3.35Å; V564-T567 PolarHBondContact O-N 3.41Å; V564-T567 VanDerWaalsContact O-N 3.12Å; V564-T567 PolarHBondContact O-OG1 3.07Å; V564-C568 HydrophobicContact CG1-CB 3.68Å; V564-L573 HydrophobicContact CB-CB 4.48Å; V564-L573 HydrophobicContact CG1-CB 4.42Å; V564-L573 HydrophobicContact CG1-CD1 3.76Å; V564-D577 PolarHBondContact N-OD1 3.4Å; V564-D577 PolarHBondContact N-OD2 2.91Å
565	G	89.4	Confident	90.4	Very high	16 Å²	16	48 Å²	48	17%	0.165	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-112.6	-178	0	0	0	0	0	112.3	L573 D577	G565-L573 PolarHBondContact O-N 3.23Å; G565-D577 WeakPolarHBondContact CA-OD2 3.3Å; G565-D577 PolarHBondContact N-OD2 3.35Å
566	F	88.4	Confident	90.3	Very high	115 Å²	115	42.8 Å²	42.8	50%	0.504	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	6.9	-179.6	-61.7	-87.8	0	0	0	113.4	V564 F571 D572	V564-F566 PolarHBondContact O-N 2.96Å; V564-F566 VanDerWaalsContact O-N 3.16Å; F566-F571 WeakPolarHBondContact CA-O 3.4Å; F566-D572 HydrophobicContact CD1-CB 3.97Å; F566-D572 HydrophobicContact CE1-CB 3.56Å; F566-D572 HydrophobicContact CZ-CB 4.43Å
567	T	84.1	Confident	90.2	Very high	107 Å²	107	41.5 Å²	41.5	66%	0.656	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-24.1	-166.4	59.7	0	0	0	0	113.5	V564 E569	V564-T567 WeakPolarHBondContact O-CB 3.35Å; V564-T567 PolarHBondContact O-N 3.41Å; V564-T567 VanDerWaalsContact O-N 3.12Å; V564-T567 PolarHBondContact O-OG1 3.07Å; T567-E569 PolarHBondContact O-N 2.95Å
568	C	90.3	Very high	90.1	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	105.8	-179.9	-173.8	0	0	0	0	111	N31 L65 V564 S570 F571 L573	N31-C568 PolarHBondContact ND2-SG 2.73Å; L65-C568 VanDerWaalsContact CD2-SG 3.56Å; V564-C568 HydrophobicContact CG1-CB 3.68Å; C568-S570 PolarHBondContact O-N 3.31Å; C568-F571 PolarHBondContact O-N 2.88Å; C568-F571 VanDerWaalsContact O-N 3.12Å; C568-L573 HydrophobicContact CB-CD1 3.72Å
569	E	92.8	Very high	90.2	Very high	42 Å²	42	46.5 Å²	46.5	20%	0.196	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	27.7	176.1	-58	-60	148.1	0	0	114.6	N31 H32 R35 M69 T567 F571	N31-E569 HydrophobicContact CB-CG 4.27Å; H32-E569 VanDerWaalsContact CA-OE1 3.31Å; H32-E569 WeakPolarHBondContact CA-OE1 3.42Å; H32-E569 PolarHBondContact N-OE1 3.17Å; H32-E569 IonicContact ND1-OE1 2.7Å; R35-E569 WeakPolarHBondContact CD-OE2 3.48Å; R35-E569 IonicContact CZ-OE2 3.78Å; R35-E569 IonicContact NE-OE2 3.72Å; R35-E569 PolarHBondContact NE-OE2 3.39Å; R35-E569 IonicContact NH2-OE2 3.29Å; M69-E569 HydrophobicContact CE-CB 4.21Å; M69-E569 HydrophobicContact CE-CG 3.59Å; T567-E569 PolarHBondContact O-N 2.95Å; E569-F571 VanDerWaalsContact C-N 3.29Å; E569-F571 HydrophobicContact CB-CD2 3.91Å; E569-F571 HydrophobicContact CB-CE2 3.89Å; E569-F571 PolarHBondContact O-N 2.81Å
570	S	91.4	Very high	90.2	Very high	108 Å²	108	43.2 Å²	43.2	76%	0.755	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	19.1	179.4	-46.3	0	0	0	0	116.1	C568	C568-S570 PolarHBondContact O-N 3.31Å
571	F	95.3	Very high	90.2	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.035	24%	0.242	C	C	.	.			trans	-89.6	147.1	173.7	-62.4	-69.8	0	0	0	111.7	L65 M68 M69 N72 F100 F566 C568 E569 L573	L65-F571 HydrophobicContact CD1-CD2 3.52Å; L65-F571 HydrophobicContact CD1-CE2 3.98Å; L65-F571 HydrophobicContact CD1-CG 4.45Å; M68-F571 HydrophobicContact CB-CD1 4.04Å; M68-F571 HydrophobicContact CB-CE1 3.54Å; M68-F571 HydrophobicContact CB-CE2 4.24Å; M68-F571 HydrophobicContact CB-CZ 3.63Å; M68-F571 HydrophobicContact CE-CB 3.85Å; M68-F571 HydrophobicContact CE-CD1 3.95Å; M68-F571 HydrophobicContact CE-CD2 4.27Å; M68-F571 HydrophobicContact CE-CG 3.76Å; M68-F571 HydrophobicContact CG-CE1 4.42Å; M68-F571 HydrophobicContact SD-CD1 3.77Å; M68-F571 HydrophobicContact SD-CE1 4.21Å; M68-F571 HydrophobicContact SD-CG 4.22Å; M69-F571 HydrophobicContact CG-CE2 3.96Å; M69-F571 HydrophobicContact CG-CZ 4.41Å; N72-F571 WeakPolarHBondContact ND2-CE1 3.35Å; N72-F571 WeakPolarHBondContact ND2-CZ 2.87Å; F100-F571 HydrophobicContact CE2-CD1 4.23Å; F100-F571 AromaticContact CE2-CE1 3.81Å; F100-F571 HydrophobicContact CE2-CE1 3.81Å; F100-F571 HydrophobicContact CZ-CE1 4.27Å; F566-F571 WeakPolarHBondContact CA-O 3.4Å; C568-F571 PolarHBondContact O-N 2.88Å; C568-F571 VanDerWaalsContact O-N 3.12Å; E569-F571 VanDerWaalsContact C-N 3.29Å; E569-F571 HydrophobicContact CB-CD2 3.91Å; E569-F571 HydrophobicContact CB-CE2 3.89Å; E569-F571 PolarHBondContact O-N 2.81Å; F571-L573 HydrophobicContact CB-CD2 4.35Å; F571-L573 HydrophobicContact CB-CG 4.42Å; F571-L573 PolarHBondContact O-N 2.73Å
572	D	95.7	Very high	90.3	Very high	14 Å²	14	46.6 Å²	46.6	8%	0.075	25%	0.25	C	S	.	.			trans	-77.2	101.4	171.2	-173.9	2.9	0	0	0	110.3	N98 F566 R574	N98-D572 PolarHBondContact ND2-O 2.92Å; N98-D572 PolarHBondContact OD1-N 2.72Å; F566-D572 HydrophobicContact CD1-CB 3.97Å; F566-D572 HydrophobicContact CE1-CB 3.56Å; F566-D572 HydrophobicContact CZ-CB 4.43Å; D572-R574 WeakPolarHBondContact OD1-CB 3.04Å; D572-R574 WeakPolarHBondContact OD1-CG 3.07Å; D572-R574 IonicContact OD1-CZ 3.67Å; D572-R574 PolarHBondContact OD1-N 3.2Å; D572-R574 IonicContact OD1-NE 2.82Å; D572-R574 PolarHBondContact OD1-NE 3.28Å; D572-R574 IonicContact OD1-NH2 3.65Å; D572-R574 IonicContact OD2-CZ 3.48Å; D572-R574 IonicContact OD2-NE 3.43Å; D572-R574 PolarHBondContact OD2-NE 2.57Å; D572-R574 IonicContact OD2-NH2 2.7Å; D572-R574 PolarHBondContact OD2-NH2 3.3Å
573	L	94.7	Very high	90.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.			trans	-103.8	12.2	178.9	-59.9	179.4	0	0	0	112.7	L25 M68 I94 V564 G565 C568 F571 P575 F576 D577	L25-L573 HydrophobicContact CD1-CD1 4.47Å; L25-L573 HydrophobicContact CD2-CD1 4.26Å; M68-L573 HydrophobicContact CE-CD2 4.11Å; I94-L573 HydrophobicContact CD1-CD2 4.14Å; I94-L573 HydrophobicContact CG2-CD2 3.76Å; V564-L573 HydrophobicContact CB-CB 4.48Å; V564-L573 HydrophobicContact CG1-CB 4.42Å; V564-L573 HydrophobicContact CG1-CD1 3.76Å; G565-L573 PolarHBondContact O-N 3.23Å; C568-L573 HydrophobicContact CB-CD1 3.72Å; F571-L573 HydrophobicContact CB-CD2 4.35Å; F571-L573 HydrophobicContact CB-CG 4.42Å; F571-L573 PolarHBondContact O-N 2.73Å; L573-P575 VanDerWaalsContact C-N 3.31Å; L573-F576 WeakPolarHBondContact O-CA 3.37Å; L573-F576 VanDerWaalsContact O-CB 3.31Å; L573-F576 WeakPolarHBondContact O-CB 3.42Å; L573-F576 PolarHBondContact O-N 3.14Å; L573-D577 PolarHBondContact O-N 3.16Å
574	R	93.4	Very high	90	Very high	111 Å²	111	44.8 Å²	44.8	42%	0.419	24%	0.238	S	C	.	.	H	α-helix	trans	-55.4	-34	179.7	-69	177.1	-66.2	162.1	2.5	115	D572 F576 D577 E578	D572-R574 WeakPolarHBondContact OD1-CB 3.04Å; D572-R574 WeakPolarHBondContact OD1-CG 3.07Å; D572-R574 IonicContact OD1-CZ 3.67Å; D572-R574 PolarHBondContact OD1-N 3.2Å; D572-R574 IonicContact OD1-NE 2.82Å; D572-R574 PolarHBondContact OD1-NE 3.28Å; D572-R574 IonicContact OD1-NH2 3.65Å; D572-R574 IonicContact OD2-CZ 3.48Å; D572-R574 IonicContact OD2-NE 3.43Å; D572-R574 PolarHBondContact OD2-NE 2.57Å; D572-R574 IonicContact OD2-NH2 2.7Å; D572-R574 PolarHBondContact OD2-NH2 3.3Å; R574-F576 PolarHBondContact O-N 3.43Å; R574-D577 WeakPolarHBondContact O-CB 3.21Å; R574-D577 PolarHBondContact O-N 2.95Å; R574-D577 VanDerWaalsContact O-N 3.08Å; R574-E578 WeakPolarHBondContact O-CG 3.49Å; R574-E578 PolarHBondContact O-N 3.13Å
575	P	94	Very high	89.5	Confident	12 Å²	12	48.9 Å²	48.9	8%	0.078	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-29.6	173.5	-25.1	34.5	0	0	0	113.7	N93 I94 N97 L573 L579	N93-P575 HydrophobicContact CB-CB 4.15Å; N93-P575 HydrophobicContact CB-CG 4.44Å; I94-P575 HydrophobicContact CG1-CB 3.86Å; I94-P575 HydrophobicContact CG1-CG 3.94Å; N97-P575 VanDerWaalsContact ND2-CG 3.31Å; N97-P575 WeakPolarHBondContact ND2-CG 3.33Å; L573-P575 VanDerWaalsContact C-N 3.31Å; P575-L579 WeakPolarHBondContact O-CB 3.21Å; P575-L579 PolarHBondContact O-N 3.36Å; P575-L579 VanDerWaalsContact O-N 3.11Å
576	F	92.9	Very high	89.2	Confident	7 Å²	7	54 Å²	54	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-71.7	-44.8	171.9	172.4	-93.7	0	0	0	111.2	L25 T63 M87 C90 I94 L573 R574 E578 L579 V580	L25-F576 HydrophobicContact CD1-CD1 3.69Å; L25-F576 HydrophobicContact CD1-CE1 3.48Å; L25-F576 VanDerWaalsContact CD1-CE1 3.48Å; L25-F576 HydrophobicContact CD1-CE2 4.43Å; L25-F576 HydrophobicContact CD1-CG 4.27Å; L25-F576 HydrophobicContact CD1-CZ 3.87Å; T63-F576 HydrophobicContact CG2-CB 4.04Å; T63-F576 HydrophobicContact CG2-CD2 3.5Å; T63-F576 VanDerWaalsContact CG2-CD2 3.5Å; T63-F576 HydrophobicContact CG2-CE2 4.07Å; T63-F576 HydrophobicContact CG2-CG 3.83Å; M87-F576 HydrophobicContact CE-CD2 3.91Å; M87-F576 HydrophobicContact CE-CE2 3.72Å; M87-F576 HydrophobicContact SD-CD2 4.13Å; M87-F576 HydrophobicContact SD-CE2 4.39Å; C90-F576 VanDerWaalsContact SG-CA 3.57Å; I94-F576 HydrophobicContact CD1-CB 4.01Å; L573-F576 WeakPolarHBondContact O-CA 3.37Å; L573-F576 VanDerWaalsContact O-CB 3.31Å; L573-F576 WeakPolarHBondContact O-CB 3.42Å; L573-F576 PolarHBondContact O-N 3.14Å; R574-F576 PolarHBondContact O-N 3.43Å; F576-E578 VanDerWaalsContact C-N 3.31Å; F576-E578 PolarHBondContact O-N 2.81Å; F576-L579 PolarHBondContact O-N 3.42Å; F576-V580 HydrophobicContact CD1-CG2 4.32Å; F576-V580 HydrophobicContact CD2-CG2 4.13Å; F576-V580 HydrophobicContact CE1-CG2 3.93Å; F576-V580 HydrophobicContact CE2-CG2 3.73Å; F576-V580 HydrophobicContact CG-CG2 4.42Å; F576-V580 HydrophobicContact CZ-CG2 3.63Å; F576-V580 WeakPolarHBondContact O-CG2 3.2Å; F576-V580 PolarHBondContact O-N 3.12Å
577	D	90.8	Very high	88.7	Confident	14 Å²	14	50.1 Å²	50.1	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-45.1	175.1	-63.5	-32.9	0	0	0	111.2	P563 V564 G565 L573 R574 L579 V580 L581	P563-D577 VanDerWaalsContact CA-OD1 3.28Å; P563-D577 WeakPolarHBondContact CA-OD1 3.14Å; P563-D577 HydrophobicContact CB-CB 4.13Å; V564-D577 PolarHBondContact N-OD1 3.4Å; V564-D577 PolarHBondContact N-OD2 2.91Å; G565-D577 WeakPolarHBondContact CA-OD2 3.3Å; G565-D577 PolarHBondContact N-OD2 3.35Å; L573-D577 PolarHBondContact O-N 3.16Å; R574-D577 WeakPolarHBondContact O-CB 3.21Å; R574-D577 PolarHBondContact O-N 2.95Å; R574-D577 VanDerWaalsContact O-N 3.08Å; D577-L579 PolarHBondContact O-N 3.11Å; D577-V580 PolarHBondContact O-N 3.26Å; D577-L581 HydrophobicContact CB-CD1 4.35Å; D577-L581 WeakPolarHBondContact O-CB 3.28Å; D577-L581 WeakPolarHBondContact O-CD1 2.91Å; D577-L581 WeakPolarHBondContact O-CG 3.09Å; D577-L581 PolarHBondContact O-N 3.3Å
578	E	90.7	Very high	88.5	Confident	130 Å²	130	47.6 Å²	47.6	61%	0.607	26%	0.261	S	S	*	.	H	α-helix	trans	-60.1	-45.3	177.1	-72.5	169.5	-169.3	0	0	111.7	R574 F576 D582	R574-E578 WeakPolarHBondContact O-CG 3.49Å; R574-E578 PolarHBondContact O-N 3.13Å; F576-E578 VanDerWaalsContact C-N 3.31Å; F576-E578 PolarHBondContact O-N 2.81Å; E578-D582 WeakPolarHBondContact O-CB 3.47Å; E578-D582 PolarHBondContact O-N 2.57Å; E578-D582 VanDerWaalsContact O-N 3.08Å
579	L	90.1	Very high	88.1	Confident	42 Å²	42	54.8 Å²	54.8	22%	0.22	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-49	178.5	178	64.9	0	0	0	111.9	I16 M87 C90 P575 F576 D577 A583	I16-L579 HydrophobicContact CD1-CD1 4.09Å; I16-L579 HydrophobicContact CG2-CD1 4.08Å; I16-L579 HydrophobicContact CG2-CD2 4.29Å; I16-L579 HydrophobicContact CG2-CG 3.7Å; M87-L579 HydrophobicContact CE-CD2 4.41Å; C90-L579 HydrophobicContact CB-CD2 3.75Å; P575-L579 WeakPolarHBondContact O-CB 3.21Å; P575-L579 PolarHBondContact O-N 3.36Å; P575-L579 VanDerWaalsContact O-N 3.11Å; F576-L579 PolarHBondContact O-N 3.42Å; D577-L579 PolarHBondContact O-N 3.11Å; L579-A583 WeakPolarHBondContact O-CB 3.48Å; L579-A583 PolarHBondContact O-N 2.9Å
580	V	87.8	Confident	87.8	Confident	17 Å²	17	56.6 Å²	56.6	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-71.6	-44.7	-177	175.3	0	0	0	0	111	F576 D577 D582 A583 S584	F576-V580 HydrophobicContact CD1-CG2 4.32Å; F576-V580 HydrophobicContact CD2-CG2 4.13Å; F576-V580 HydrophobicContact CE1-CG2 3.93Å; F576-V580 HydrophobicContact CE2-CG2 3.73Å; F576-V580 HydrophobicContact CG-CG2 4.42Å; F576-V580 HydrophobicContact CZ-CG2 3.63Å; F576-V580 WeakPolarHBondContact O-CG2 3.2Å; F576-V580 PolarHBondContact O-N 3.12Å; D577-V580 PolarHBondContact O-N 3.26Å; V580-D582 PolarHBondContact O-N 2.86Å; V580-A583 PolarHBondContact O-N 3.33Å; V580-S584 VanDerWaalsContact O-CB 3.31Å; V580-S584 WeakPolarHBondContact O-CB 3.34Å; V580-S584 PolarHBondContact O-N 3.46Å; V580-S584 PolarHBondContact O-OG 2.58Å
581	L	84.7	Confident	87.9	Confident	87 Å²	87	51.9 Å²	51.9	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-65	-37.6	-179.4	-69.1	171.2	0	0	0	112.3	D577 A585	D577-L581 HydrophobicContact CB-CD1 4.35Å; D577-L581 WeakPolarHBondContact O-CB 3.28Å; D577-L581 WeakPolarHBondContact O-CD1 2.91Å; D577-L581 WeakPolarHBondContact O-CG 3.09Å; D577-L581 PolarHBondContact O-N 3.3Å; L581-A585 VanDerWaalsContact O-CB 3.28Å; L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 3.42Å
582	D	85.8	Confident	87.7	Confident	82 Å²	82	53.1 Å²	53.1	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-42	174.4	177.4	63.1	0	0	0	111.7	E578 V580 K586	E578-D582 WeakPolarHBondContact O-CB 3.47Å; E578-D582 PolarHBondContact O-N 2.57Å; E578-D582 VanDerWaalsContact O-N 3.08Å; V580-D582 PolarHBondContact O-N 2.86Å; D582-K586 WeakPolarHBondContact O-CD 3.15Å; D582-K586 WeakPolarHBondContact O-CG 3.33Å; D582-K586 PolarHBondContact O-N 2.99Å; D582-K586 VanDerWaalsContact OD1-CE 3.24Å; D582-K586 WeakPolarHBondContact OD1-CE 3.14Å; D582-K586 IonicContact OD1-NZ 3.36Å; D582-K586 PolarHBondContact OD1-NZ 2.83Å; D582-K586 VanDerWaalsContact OD1-NZ 3.12Å; D582-K586 IonicContact OD2-NZ 3.36Å; D582-K586 PolarHBondContact OD2-NZ 3.21Å
583	A	85.4	Confident	87.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-44.2	176.1	0	0	0	0	0	112.3	N13 I16 A17 L579 V580 K586 S587	N13-A583 WeakPolarHBondContact O-CB 3.49Å; I16-A583 HydrophobicContact CB-CB 3.7Å; I16-A583 HydrophobicContact CG2-CB 3.41Å; I16-A583 VanDerWaalsContact CG2-CB 3.41Å; A17-A583 HydrophobicContact CB-CB 4.26Å; L579-A583 WeakPolarHBondContact O-CB 3.48Å; L579-A583 PolarHBondContact O-N 2.9Å; V580-A583 PolarHBondContact O-N 3.33Å; A583-K586 PolarHBondContact O-N 2.82Å; A583-S587 PolarHBondContact O-N 2.79Å; A583-S587 PolarHBondContact O-OG 2.85Å
584	S	82.4	Confident	87.6	Confident	18 Å²	18	55.4 Å²	55.4	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-46.8	175.2	-77.1	0	0	0	0	111.9	R561 V580 K586 S587 D588	R561-S584 PolarHBondContact NH1-OG 2.81Å; V580-S584 VanDerWaalsContact O-CB 3.31Å; V580-S584 WeakPolarHBondContact O-CB 3.34Å; V580-S584 PolarHBondContact O-N 3.46Å; V580-S584 PolarHBondContact O-OG 2.58Å; S584-K586 PolarHBondContact O-N 2.83Å; S584-S587 PolarHBondContact O-N 2.82Å; S584-S587 VanDerWaalsContact O-N 3.08Å; S584-D588 WeakPolarHBondContact CA-OD2 3.38Å; S584-D588 WeakPolarHBondContact CB-OD2 3.32Å; S584-D588 WeakPolarHBondContact O-CB 3.41Å; S584-D588 PolarHBondContact O-N 2.98Å; S584-D588 PolarHBondContact OG-OD2 3.11Å
585	A	80.1	Confident	87.6	Confident	90 Å²	90	51 Å²	51	74%	0.744	28%	0.276	S	S	*	.	H	α-helix	trans	-60.2	-21.5	178.3	0	0	0	0	0	113.7	L581	L581-A585 VanDerWaalsContact O-CB 3.28Å; L581-A585 WeakPolarHBondContact O-CB 3.49Å; L581-A585 PolarHBondContact O-N 3.42Å
586	K	82	Confident	87.8	Confident	122 Å²	122	50.4 Å²	50.4	53%	0.53	27%	0.272	S	S	.	.	H	α-helix	trans	-93.4	-20.5	178.4	-68.5	167.2	-175.5	166.1	0	113.9	D582 A583 S584	D582-K586 WeakPolarHBondContact O-CD 3.15Å; D582-K586 WeakPolarHBondContact O-CG 3.33Å; D582-K586 PolarHBondContact O-N 2.99Å; D582-K586 VanDerWaalsContact OD1-CE 3.24Å; D582-K586 WeakPolarHBondContact OD1-CE 3.14Å; D582-K586 IonicContact OD1-NZ 3.36Å; D582-K586 PolarHBondContact OD1-NZ 2.83Å; D582-K586 VanDerWaalsContact OD1-NZ 3.12Å; D582-K586 IonicContact OD2-NZ 3.36Å; D582-K586 PolarHBondContact OD2-NZ 3.21Å; A583-K586 PolarHBondContact O-N 2.82Å; S584-K586 PolarHBondContact O-N 2.83Å
587	S	78.7	Confident	87.8	Confident	35 Å²	35	51 Å²	51	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-135.4	-25.9	-164.4	62.4	0	0	0	0	115.7	A17 A583 S584	A17-S587 WeakPolarHBondContact CB-OG 3.13Å; A583-S587 PolarHBondContact O-N 2.79Å; A583-S587 PolarHBondContact O-OG 2.85Å; S584-S587 PolarHBondContact O-N 2.82Å; S584-S587 VanDerWaalsContact O-N 3.08Å
588	D	79.2	Confident	88	Confident	54 Å²	54	51 Å²	51	29%	0.289	27%	0.273	S	S	.	.			trans	-83.6	137.3	-179.8	-71.4	-47.5	0	0	0	111.1	R561 S584	R561-D588 IonicContact CZ-OD1 2.84Å; R561-D588 IonicContact CZ-OD2 3.97Å; R561-D588 IonicContact NH1-OD1 2.86Å; R561-D588 IonicContact NH1-OD2 3.61Å; R561-D588 PolarHBondContact NH1-OD2 2.74Å; R561-D588 VanDerWaalsContact NH2-CG 3.27Å; R561-D588 IonicContact NH2-OD1 3.69Å; R561-D588 PolarHBondContact NH2-OD1 3.06Å; R561-D588 IonicContact NH2-OD2 3.89Å; R561-D588 PolarHBondContact NH2-OD2 2.77Å; S584-D588 WeakPolarHBondContact CA-OD2 3.38Å; S584-D588 WeakPolarHBondContact CB-OD2 3.32Å; S584-D588 WeakPolarHBondContact O-CB 3.41Å; S584-D588 PolarHBondContact O-N 2.98Å; S584-D588 PolarHBondContact OG-OD2 3.11Å
589	E	81.7	Confident	88.2	Confident	156 Å²	156	45.4 Å²	45.4	73%	0.729	25%	0.247	S	C	*	.			trans	-74.2	157.3	170.5	-69.8	-63.7	158.9	0	0	111.1	I591	E589-I591 VanDerWaalsContact C-N 3.25Å; E589-I591 PolarHBondContact O-N 3.15Å
590	L	86.7	Confident	88.5	Confident	80 Å²	80	44.8 Å²	44.8	42%	0.419	25%	0.246	S	C	.	.	S	Bend	trans	-63.7	-32.1	-179.8	-172.6	66.2	0	0	0	112.8	F700 P733 F735	L590-F700 HydrophobicContact CD1-CD2 3.68Å; L590-F700 HydrophobicContact CD1-CE2 3.34Å; L590-F700 HydrophobicContact CD1-CZ 4.38Å; L590-F700 HydrophobicContact CG-CD2 3.89Å; L590-F700 HydrophobicContact CG-CE2 4.06Å; L590-F700 WeakPolarHBondContact O-CD2 3.49Å; L590-P733 HydrophobicContact CD2-CG 4.21Å; L590-P733 WeakPolarHBondContact CD2-O 3.4Å; L590-F735 HydrophobicContact CD2-CD2 4.41Å
591	I	93	Very high	88.9	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.051	24%	0.244	C	C	.	.	S	Bend	trans	-116.5	131.7	-178.2	-53.3	-55.1	0	0	0	109.6	L513 W515 E589 L653 G698 V699 F700 P733 F735	L513-I591 HydrophobicContact CD1-CB 4.28Å; L513-I591 HydrophobicContact CD1-CG2 4.35Å; L513-I591 HydrophobicContact CD2-CB 4.28Å; L513-I591 HydrophobicContact CD2-CG2 3.61Å; W515-I591 HydrophobicContact CH2-CG2 4.21Å; W515-I591 HydrophobicContact CZ2-CG2 4.44Å; E589-I591 VanDerWaalsContact C-N 3.25Å; E589-I591 PolarHBondContact O-N 3.15Å; I591-L653 HydrophobicContact CD1-CD1 3.42Å; I591-L653 VanDerWaalsContact CD1-CD1 3.42Å; I591-L653 HydrophobicContact CG1-CD1 3.96Å; I591-L653 HydrophobicContact CG2-CD1 4Å; I591-G698 VanDerWaalsContact CG2-CA 3.45Å; I591-V699 WeakPolarHBondContact CA-O 3.38Å; I591-F700 HydrophobicContact CD1-CB 3.72Å; I591-P733 HydrophobicContact CD1-CB 4.24Å; I591-P733 HydrophobicContact CD1-CG 3.67Å; I591-P733 HydrophobicContact CG1-CB 4.32Å; I591-P733 HydrophobicContact CG1-CG 3.29Å; I591-F735 HydrophobicContact CD1-CE2 3.75Å; I591-F735 HydrophobicContact CD1-CZ 4.35Å
592	E	91.2	Very high	89.5	Confident	34 Å²	34	42.1 Å²	42.1	16%	0.159	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.8	179.1	-58.1	-179.5	-115.6	0	0	110.6	R561 G698 V699	R561-E592 IonicContact CZ-OE1 2.77Å; R561-E592 IonicContact CZ-OE2 2.69Å; R561-E592 VanDerWaalsContact CZ-OE2 3.29Å; R561-E592 VanDerWaalsContact NE-CD 3.32Å; R561-E592 IonicContact NE-OE1 2.84Å; R561-E592 PolarHBondContact NE-OE1 3.33Å; R561-E592 IonicContact NE-OE2 2.91Å; R561-E592 PolarHBondContact NE-OE2 2.89Å; R561-E592 VanDerWaalsContact NE-OE2 3.1Å; R561-E592 IonicContact NH2-OE1 3.34Å; R561-E592 PolarHBondContact NH2-OE1 3.48Å; R561-E592 IonicContact NH2-OE2 2.67Å; R561-E592 PolarHBondContact NH2-OE2 3.17Å; E592-G698 CarbonylContact O-C 3.58Å; E592-V699 PolarHBondContact N-O 3.15Å; E592-V699 PolarHBondContact O-N 3.11Å
593	P	93.7	Very high	90.1	Very high	40 Å²	40	38.2 Å²	38.2	26%	0.26	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.3	177.4	38.6	-40.9	0	0	0	110.9	I512 L513 Q696 Q697	I512-P593 HydrophobicContact CG2-CB 4.01Å; I512-P593 HydrophobicContact CG2-CG 3.5Å; I512-P593 VanDerWaalsContact CG2-CG 3.5Å; I512-P593 VanDerWaalsContact O-CB 3.25Å; I512-P593 WeakPolarHBondContact O-CB 3.18Å; L513-P593 HydrophobicContact CD2-CB 4.32Å; P593-Q696 HydrophobicContact CB-CB 4.17Å; P593-Q697 CarbonylContact C-O 3.51Å; P593-Q697 WeakPolarHBondContact CA-O 2.85Å
594	H	94.9	Very high	90.6	Very high	21 Å²	21	40.1 Å²	40.1	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.9	172.1	-68.1	-83.6	0	0	0	112.1	L557 L596 Y599 Q697 V699	L557-H594 HydrophobicContact CD2-CB 4.24Å; H594-L596 VanDerWaalsContact C-N 3.32Å; H594-L596 HydrophobicContact CB-CD2 4.02Å; H594-L596 PolarHBondContact O-N 3.21Å; H594-Y599 HydrophobicContact CB-CE2 4.3Å; H594-Q697 PolarHBondContact N-O 3.44Å; H594-Q697 PolarHBondContact O-N 3.38Å; H594-Q697 PolarHBondContact O-OE1 3.45Å; H594-Q697 VanDerWaalsContact O-OE1 3.07Å; H594-V699 HydrophobicContact CB-CG2 3.9Å
595	P	95	Very high	91.2	Very high	19 Å²	19	39.5 Å²	39.5	12%	0.123	21%	0.214	C	C	.	.			trans	-74.9	84	169.6	31	-32.2	0	0	0	109.3	W597 E598 Y599 Q696	P595-W597 PolarHBondContact O-N 3.35Å; P595-E598 HydrophobicContact CB-CG 4.31Å; P595-E598 WeakPolarHBondContact CB-OE1 3.36Å; P595-E598 HydrophobicContact CG-CG 4.22Å; P595-E598 WeakPolarHBondContact CG-OE1 3.4Å; P595-E598 WeakPolarHBondContact O-CB 3.46Å; P595-E598 PolarHBondContact O-N 3.01Å; P595-Y599 HydrophobicContact CG-CE2 4.2Å; P595-Y599 WeakPolarHBondContact O-CD2 3.43Å; P595-Q696 HydrophobicContact CB-CG 4.28Å
596	L	96.3	Very high	91.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.9	-12.3	-169.7	-69.3	-175.4	0	0	0	114.9	F554 L557 H594 E598 Y599 A652 W690 Q697 V699	F554-L596 HydrophobicContact CD1-CD2 4.36Å; F554-L596 HydrophobicContact CE1-CD1 4.17Å; F554-L596 HydrophobicContact CE1-CD2 3.45Å; F554-L596 VanDerWaalsContact CE1-CD2 3.45Å; F554-L596 HydrophobicContact CE1-CG 4.39Å; F554-L596 HydrophobicContact CZ-CD1 4.23Å; F554-L596 HydrophobicContact CZ-CD2 3.89Å; L557-L596 HydrophobicContact CD2-CD2 3.74Å; H594-L596 VanDerWaalsContact C-N 3.32Å; H594-L596 HydrophobicContact CB-CD2 4.02Å; H594-L596 PolarHBondContact O-N 3.21Å; L596-E598 PolarHBondContact O-N 2.89Å; L596-Y599 PolarHBondContact O-N 2.86Å; L596-A652 HydrophobicContact CD1-CB 3.51Å; L596-W690 HydrophobicContact CB-CB 4.37Å; L596-W690 VanDerWaalsContact CB-CD1 3.43Å; L596-W690 HydrophobicContact CB-CD2 3.95Å; L596-W690 HydrophobicContact CB-CG 3.68Å; L596-W690 HydrophobicContact CD1-CD2 4.24Å; L596-W690 HydrophobicContact CD1-CH2 4.25Å; L596-W690 HydrophobicContact CD1-CZ2 3.71Å; L596-Q697 HydrophobicContact CD1-CB 3.71Å; L596-Q697 HydrophobicContact CD1-CG 4.05Å; L596-Q697 HydrophobicContact CG-CB 3.93Å; L596-Q697 HydrophobicContact CG-CG 4.31Å; L596-V699 HydrophobicContact CD1-CG2 4.15Å; L596-V699 HydrophobicContact CD2-CG2 3.65Å; L596-V699 HydrophobicContact CG-CG2 4.11Å
597	W	94.1	Very high	92.5	Very high	18 Å²	18	36.2 Å²	36.2	7%	0.068	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-65.9	-20.5	171.1	72.3	-91.3	0	0	0	113.1	F175 I216 E220 I221 P595 W690 S692	F175-W597 AromaticContact CE1-CH2 3.85Å; F175-W597 HydrophobicContact CE1-CH2 3.85Å; F175-W597 HydrophobicContact CE1-CZ2 4.36Å; F175-W597 HydrophobicContact CE1-CZ3 4.23Å; F175-W597 AromaticContact CZ-CH2 3.77Å; F175-W597 HydrophobicContact CZ-CH2 3.77Å; F175-W597 AromaticContact CZ-CZ2 3.88Å; F175-W597 HydrophobicContact CZ-CZ2 3.88Å; F175-W597 HydrophobicContact CZ-CZ3 4.15Å; I216-W597 HydrophobicContact CB-CH2 4.34Å; I216-W597 HydrophobicContact CD1-CH2 4.19Å; I216-W597 HydrophobicContact CG2-CH2 4.43Å; I216-W597 HydrophobicContact CG2-CZ2 4.41Å; E220-W597 HydrophobicContact CB-CZ3 4.49Å; I221-W597 HydrophobicContact CG1-CZ3 4.27Å; P595-W597 PolarHBondContact O-N 3.35Å; W597-W690 HydrophobicContact CB-CB 4.08Å; W597-S692 VanDerWaalsContact CG-CB 3.48Å
598	E	95.1	Very high	93.3	Very high	14 Å²	14	35.7 Å²	35.7	7%	0.065	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-86.5	-9.3	177.2	-61.4	-169.2	-126.5	0	0	113.3	I216 Q217 E220 P595 L596	I216-E598 VanDerWaalsContact CA-OE2 3.27Å; I216-E598 WeakPolarHBondContact CA-OE2 3.28Å; I216-E598 WeakPolarHBondContact CB-OE2 3.47Å; Q217-E598 HydrophobicContact CB-CB 3.96Å; Q217-E598 HydrophobicContact CB-CG 4.41Å; Q217-E598 HydrophobicContact CG-CB 3.92Å; Q217-E598 WeakPolarHBondContact CG-O 3.4Å; Q217-E598 PolarHBondContact N-OE2 3.48Å; E220-E598 WeakPolarHBondContact CG-O 3.49Å; P595-E598 HydrophobicContact CB-CG 4.31Å; P595-E598 WeakPolarHBondContact CB-OE1 3.36Å; P595-E598 HydrophobicContact CG-CG 4.22Å; P595-E598 WeakPolarHBondContact CG-OE1 3.4Å; P595-E598 WeakPolarHBondContact O-CB 3.46Å; P595-E598 PolarHBondContact O-N 3.01Å; L596-E598 PolarHBondContact O-N 2.89Å
599	Y	95.6	Very high	94.1	Very high	13 Å²	13	34 Å²	34	5%	0.051	18%	0.182	C	C	.	.	S	Bend	trans	-119.2	107.1	-172.7	-60.3	-88.4	0	0	0	110.5	W309 D311 L557 H594 P595 L596 N601	W309-Y599 HydrophobicContact CH2-CD1 4.03Å; W309-Y599 AromaticContact CH2-CE1 3.96Å; W309-Y599 HydrophobicContact CH2-CE1 3.96Å; W309-Y599 AromaticContact CZ2-CD1 3.93Å; W309-Y599 HydrophobicContact CZ2-CD1 3.93Å; W309-Y599 HydrophobicContact CZ2-CE1 4.1Å; D311-Y599 WeakPolarHBondContact OD1-CE1 3.42Å; D311-Y599 PolarHBondContact OD1-OH 2.81Å; D311-Y599 VanDerWaalsContact OD1-OH 3.11Å; L557-Y599 HydrophobicContact CB-CD1 3.7Å; L557-Y599 HydrophobicContact CB-CE1 4.24Å; L557-Y599 HydrophobicContact CB-CG 4.15Å; L557-Y599 HydrophobicContact CD1-CD1 3.8Å; L557-Y599 HydrophobicContact CD1-CE1 3.49Å; L557-Y599 VanDerWaalsContact CD1-CE1 3.49Å; L557-Y599 HydrophobicContact CD1-CE2 4.37Å; L557-Y599 HydrophobicContact CD1-CG 4.32Å; L557-Y599 HydrophobicContact CD2-CG 4.34Å; L557-Y599 HydrophobicContact CG-CD1 4.19Å; L557-Y599 HydrophobicContact CG-CE1 4.37Å; H594-Y599 HydrophobicContact CB-CE2 4.3Å; P595-Y599 HydrophobicContact CG-CE2 4.2Å; P595-Y599 WeakPolarHBondContact O-CD2 3.43Å; L596-Y599 PolarHBondContact O-N 2.86Å; Y599-N601 PolarHBondContact O-N 3.16Å; Y599-N601 PolarHBondContact O-ND2 2.9Å
600	P	95.1	Very high	94.8	Very high	30 Å²	30	26.6 Å²	26.6	20%	0.195	15%	0.147	C	C	.	.			trans	-51.9	129.7	174.2	-29.4	35.6	0	0	0	111.7	E220 K555 Y556	E220-P600 VanDerWaalsContact OE1-CG 3.25Å; E220-P600 WeakPolarHBondContact OE1-CG 3Å; K555-P600 HydrophobicContact CB-CB 4.09Å; K555-P600 WeakPolarHBondContact CB-O 3.31Å; K555-P600 HydrophobicContact CD-CB 4.13Å; K555-P600 PolarHBondContact N-O 3.03Å; Y556-P600 HydrophobicContact CE2-CG 4.36Å
601	N	96.8	Very high	95.2	Very high	15 Å²	15	22.8 Å²	22.8	8%	0.08	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	169.3	-170.4	68	74.8	0	0	0	112.2	V552 D553 F554 Y599 P687 I688 W690	V552-N601 HydrophobicContact CG1-CB 3.62Å; D553-N601 CarbonylContact O-C 3.58Å; D553-N601 VanDerWaalsContact O-CA 3.26Å; D553-N601 WeakPolarHBondContact O-CA 3.18Å; F554-N601 HydrophobicContact CD1-CB 3.87Å; F554-N601 HydrophobicContact CE1-CB 4.24Å; Y599-N601 PolarHBondContact O-N 3.16Å; Y599-N601 PolarHBondContact O-ND2 2.9Å; N601-P687 WeakPolarHBondContact O-CA 3.39Å; N601-I688 VanDerWaalsContact OD1-CB 3.26Å; N601-I688 WeakPolarHBondContact OD1-CB 3.21Å; N601-I688 PolarHBondContact OD1-N 3.42Å; N601-W690 PolarHBondContact ND2-NE1 3.19Å; N601-W690 VanDerWaalsContact ND2-NE1 3.2Å
602	T	97.2	Very high	95.2	Very high	32 Å²	32	23.1 Å²	23.1	20%	0.196	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	133.1	175.1	-60.4	0	0	0	0	110.5	D553 R604 N685	D553-T602 PolarHBondContact N-O 3.09Å; D553-T602 PolarHBondContact O-N 3.33Å; T602-R604 PolarHBondContact O-N 3.08Å; T602-N685 WeakPolarHBondContact CG2-O 3.28Å
603	A	97.7	Very high	95.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.8	174	0	0	0	0	0	110.7	I550 N685 E686 I688	I550-A603 HydrophobicContact CD1-CB 3.89Å; A603-N685 WeakPolarHBondContact O-CA 3.32Å; A603-N685 PolarHBondContact O-N 3.29Å; A603-E686 PolarHBondContact N-O 3.41Å; A603-I688 HydrophobicContact CB-CD1 3.94Å; A603-I688 HydrophobicContact CB-CG1 3.77Å
604	R	95.9	Very high	94.8	Very high	42 Å²	42	21.4 Å²	21.4	16%	0.158	12%	0.12	C	C	.	.			trans	-115.5	5.3	178.6	-61.7	-55.6	-172.6	-170	-3.6	113.7	L551 D553 T602 A643 S644 V648 L684 N685	L551-R604 HydrophobicContact CB-CB 4.13Å; L551-R604 PolarHBondContact O-N 3.18Å; D553-R604 HydrophobicContact CB-CG 3.71Å; D553-R604 IonicContact OD2-CZ 3.95Å; D553-R604 IonicContact OD2-NE 3.99Å; D553-R604 PolarHBondContact OD2-NE 3.46Å; D553-R604 IonicContact OD2-NH2 3.94Å; D553-R604 PolarHBondContact OD2-NH2 3.3Å; T602-R604 PolarHBondContact O-N 3.08Å; R604-A643 CarbonylContact O-C 3.53Å; R604-A643 VanDerWaalsContact O-CA 3.31Å; R604-A643 WeakPolarHBondContact O-CA 3.36Å; R604-S644 WeakPolarHBondContact CA-OG 3.44Å; R604-S644 PolarHBondContact O-N 3.15Å; R604-S644 PolarHBondContact O-OG 2.8Å; R604-V648 HydrophobicContact CB-CB 4.2Å; R604-V648 HydrophobicContact CB-CG2 4.31Å; R604-V648 HydrophobicContact CG-CB 4.22Å; R604-L684 VanDerWaalsContact C-CD1 3.48Å; R604-N685 PolarHBondContact NH1-OD1 2.91Å
605	S	95.6	Very high	94.2	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	12%	0.116	C	C	.	.	S	Bend	trans	-150.3	171.3	168.2	70.2	0	0	0	0	109.4	I550 L551 L641 L684	I550-S605 WeakPolarHBondContact CD1-O 2.78Å; I550-S605 WeakPolarHBondContact CG1-O 3.22Å; L551-S605 PolarHBondContact N-OG 3.05Å; S605-L641 WeakPolarHBondContact OG-CD2 3.45Å; S605-L684 VanDerWaalsContact CA-CD1 3.44Å
606	D	94.8	Very high	93	Very high	111 Å²	111	19.8 Å²	19.8	59%	0.594	11%	0.111	S	C	*	.			trans	-67.1	152.7	157.9	-62.3	-48.8	0	0	0	109.9	L641	D606-L641 WeakPolarHBondContact O-CD2 3.39Å
607	A	95.3	Very high	91.6	Very high	33 Å²	33	20.6 Å²	20.6	27%	0.273	12%	0.115	S	C	.	.			trans	-72.9	140.4	169.5	0	0	0	0	0	110.4	Y548 A549 I550 W654	Y548-A607 HydrophobicContact CD1-CB 4.25Å; A549-A607 WeakPolarHBondContact O-CA 3.48Å; I550-A607 HydrophobicContact CB-CB 4.38Å; I550-A607 HydrophobicContact CD1-CB 4.31Å; A607-W654 HydrophobicContact CB-CH2 3.55Å; A607-W654 HydrophobicContact CB-CZ2 4.14Å
608	C	95	Very high	90.1	Very high	23 Å²	23	20.3 Å²	20.3	16%	0.155	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.5	174.1	73.7	0	0	0	0	111.9	Y548 A549 N639 L641	Y548-C608 CarbonylContact C-O 3.42Å; Y548-C608 VanDerWaalsContact CA-O 3.24Å; Y548-C608 WeakPolarHBondContact CA-O 3.26Å; A549-C608 PolarHBondContact N-O 3.07Å; A549-C608 PolarHBondContact O-N 3.22Å; C608-N639 HydrophobicContact CB-CB 4.22Å; C608-N639 VanDerWaalsContact SG-CB 3.56Å; C608-L641 HydrophobicContact CB-CD2 4.44Å; C608-L641 WeakPolarHBondContact SG-CD2 2.89Å
609	V	95.6	Very high	88.5	Confident	20 Å²	20	24 Å²	24	12%	0.121	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.1	175.2	179.8	0	0	0	0	109.1	R546 I547 Y548 F611 E612 K637 N639	R546-V609 HydrophobicContact CB-CG1 4.29Å; R546-V609 HydrophobicContact CG-CG1 4.24Å; I547-V609 CarbonylContact O-C 3.57Å; I547-V609 WeakPolarHBondContact O-CA 3.38Å; Y548-V609 HydrophobicContact CD1-CG2 3.91Å; Y548-V609 HydrophobicContact CD2-CG2 4.38Å; Y548-V609 HydrophobicContact CE1-CG2 3.45Å; Y548-V609 VanDerWaalsContact CE1-CG2 3.45Å; Y548-V609 HydrophobicContact CE2-CG2 3.95Å; Y548-V609 HydrophobicContact CG-CG2 4.37Å; V609-F611 WeakPolarHBondContact CG1-O 3.33Å; V609-E612 HydrophobicContact CG1-CB 4.32Å; V609-K637 HydrophobicContact CB-CD 4.31Å; V609-K637 HydrophobicContact CG1-CD 3.96Å; V609-K637 WeakPolarHBondContact O-CB 3.35Å; V609-N639 PolarHBondContact O-ND2 3.09Å
610	I	95.5	Very high	86.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-11.8	178.6	61.8	160.9	0	0	0	113	I547 A549 K637 L653 A720 M722 F735	I547-I610 HydrophobicContact CG2-CD1 4.49Å; I547-I610 HydrophobicContact CG2-CG1 4.3Å; I547-I610 PolarHBondContact O-N 3.37Å; A549-I610 HydrophobicContact CB-CD1 4.13Å; A549-I610 HydrophobicContact CB-CG1 4.32Å; A549-I610 HydrophobicContact CB-CG2 3.69Å; I610-K637 CarbonylContact C-O 3.59Å; I610-K637 WeakPolarHBondContact CA-O 3.49Å; I610-K637 PolarHBondContact O-N 3.14Å; I610-K637 VanDerWaalsContact O-N 3.14Å; I610-L653 HydrophobicContact CD1-CD2 3.73Å; I610-A720 HydrophobicContact CG2-CB 3.7Å; I610-M722 HydrophobicContact CD1-CB 4.08Å; I610-M722 HydrophobicContact CD1-CE 4.32Å; I610-F735 HydrophobicContact CD1-CE1 4.47Å
611	F	95.3	Very high	85.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	139	177.1	178	-93.6	0	0	0	110.4	L545 R546 I547 V609 M613 I634 M722 F724 L731	L545-F611 HydrophobicContact CD2-CE1 4.14Å; R546-F611 WeakPolarHBondContact CA-O 3.34Å; I547-F611 HydrophobicContact CB-CB 4.14Å; I547-F611 HydrophobicContact CD1-CB 4.34Å; I547-F611 HydrophobicContact CD1-CD1 3.75Å; I547-F611 HydrophobicContact CD1-CE1 4.43Å; I547-F611 HydrophobicContact CD1-CG 4.29Å; I547-F611 HydrophobicContact CG1-CD1 4.12Å; I547-F611 PolarHBondContact N-O 3.49Å; I547-F611 PolarHBondContact O-N 3.09Å; V609-F611 WeakPolarHBondContact CG1-O 3.33Å; F611-M613 HydrophobicContact CE1-CB 3.69Å; F611-M613 HydrophobicContact CZ-CB 3.96Å; F611-I634 HydrophobicContact CD2-CG2 4.39Å; F611-I634 HydrophobicContact CE2-CG2 3.42Å; F611-I634 VanDerWaalsContact CE2-CG2 3.42Å; F611-I634 HydrophobicContact CZ-CG2 3.81Å; F611-M722 HydrophobicContact CB-CB 4.1Å; F611-M722 HydrophobicContact CB-SD 4.46Å; F611-M722 WeakPolarHBondContact CD2-O 3.25Å; F611-F724 HydrophobicContact CE2-CB 3.58Å; F611-F724 HydrophobicContact CE2-CG 4.44Å; F611-F724 HydrophobicContact CZ-CB 3.81Å; F611-F724 HydrophobicContact CZ-CD1 4.47Å; F611-F724 HydrophobicContact CZ-CG 4.18Å; F611-L731 HydrophobicContact CD1-CD2 4.27Å; F611-L731 HydrophobicContact CD2-CD2 4.09Å; F611-L731 HydrophobicContact CE1-CD2 3.91Å; F611-L731 HydrophobicContact CE2-CD2 3.7Å; F611-L731 HydrophobicContact CG-CD2 4.36Å; F611-L731 HydrophobicContact CZ-CD2 3.6Å
612	E	93.3	Very high	83.3	Confident	16 Å²	16	28.7 Å²	28.7	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.1	172.8	-176.6	166.5	-152.6	0	0	109.6	L545 R546 V609 H635 K637	L545-E612 CarbonylContact O-C 3.42Å; L545-E612 WeakPolarHBondContact O-CA 3.22Å; R546-E612 HydrophobicContact CG-CB 4.34Å; R546-E612 HydrophobicContact CG-CG 3.97Å; R546-E612 IonicContact CZ-OE1 2.83Å; R546-E612 IonicContact NE-OE1 3.62Å; R546-E612 PolarHBondContact NE-OE1 2.72Å; R546-E612 IonicContact NH2-OE1 3.09Å; R546-E612 PolarHBondContact NH2-OE1 3.39Å; V609-E612 HydrophobicContact CG1-CB 4.32Å; E612-H635 HydrophobicContact CB-CB 4.46Å; E612-H635 PolarHBondContact N-O 3.18Å; E612-H635 WeakPolarHBondContact O-CA 3.17Å; E612-H635 PolarHBondContact O-N 3.2Å; E612-K637 WeakPolarHBondContact OE2-CE 3.32Å; E612-K637 IonicContact OE2-NZ 3.59Å; E612-K637 PolarHBondContact OE2-NZ 3.21Å
613	M	89.9	Confident	81.5	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.8	177.6	179.5	179.9	-171.7	0	0	109.4	L518 W521 R544 L545 F611 L615 I634 F724	L518-M613 HydrophobicContact CD2-SD 4.49Å; W521-M613 HydrophobicContact CD2-CE 3.82Å; W521-M613 HydrophobicContact CE3-CE 4.29Å; W521-M613 HydrophobicContact CG-CE 4.36Å; W521-M613 HydrophobicContact CH2-CE 4.03Å; W521-M613 HydrophobicContact CZ2-CE 3.51Å; W521-M613 HydrophobicContact CZ3-CE 4.38Å; R544-M613 CarbonylContact C-O 3.47Å; R544-M613 VanDerWaalsContact CA-O 3.29Å; R544-M613 WeakPolarHBondContact CA-O 3.41Å; L545-M613 HydrophobicContact CB-CB 4.4Å; L545-M613 PolarHBondContact N-O 2.77Å; L545-M613 PolarHBondContact O-N 2.96Å; F611-M613 HydrophobicContact CE1-CB 3.69Å; F611-M613 HydrophobicContact CZ-CB 3.96Å; M613-L615 HydrophobicContact CE-CD2 3.86Å; M613-L615 HydrophobicContact CG-CD2 4.06Å; M613-L615 HydrophobicContact SD-CD2 3.78Å; M613-I634 HydrophobicContact CE-CG1 4.27Å; M613-I634 HydrophobicContact CG-CG1 3.96Å; M613-I634 HydrophobicContact SD-CG1 4.32Å; M613-F724 HydrophobicContact CE-CE1 3.91Å; M613-F724 HydrophobicContact CE-CZ 4.49Å; M613-F724 HydrophobicContact SD-CE1 4.18Å
614	V	86.4	Confident	79.6	Confident	37 Å²	37	38.4 Å²	38.4	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.5	166.4	-177.7	0	0	0	0	107.8	P616 L633	V614-P616 VanDerWaalsContact O-CD 3.22Å; V614-P616 WeakPolarHBondContact O-CD 3.29Å; V614-L633 HydrophobicContact CB-CB 4.42Å; V614-L633 PolarHBondContact N-O 3.3Å
615	L	82.5	Confident	77.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	23%	0.233	C	C	.	.			trans	-100.6	91.1	177.7	-56	165.5	0	0	0	107.1	L518 F520 W521 L539 P542 V543 M613 W657	L518-L615 HydrophobicContact CD2-CD2 4.3Å; F520-L615 HydrophobicContact CE2-CD1 4.04Å; F520-L615 HydrophobicContact CZ-CD1 3.66Å; W521-L615 HydrophobicContact CB-CD2 4.38Å; W521-L615 HydrophobicContact CG-CD2 3.99Å; L539-L615 HydrophobicContact CD2-CB 3.79Å; P542-L615 HydrophobicContact CB-CD1 4.43Å; P542-L615 HydrophobicContact CG-CD1 4.11Å; V543-L615 WeakPolarHBondContact O-CB 3.43Å; V543-L615 PolarHBondContact O-N 2.81Å; M613-L615 HydrophobicContact CE-CD2 3.86Å; M613-L615 HydrophobicContact CG-CD2 4.06Å; M613-L615 HydrophobicContact SD-CD2 3.78Å; L615-W657 HydrophobicContact CD1-CE3 4.45Å; L615-W657 HydrophobicContact CD1-CZ3 4.26Å
616	P	69.7	Low	76.4	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.026	26%	0.26	C	S	.	.			trans	-68.1	148.9	-171.3	33.5	-40	0	0	0	110.8	F524 V614 D620 L621 L633	F524-P616 WeakPolarHBondContact CE1-O 3.43Å; V614-P616 VanDerWaalsContact O-CD 3.22Å; V614-P616 WeakPolarHBondContact O-CD 3.29Å; P616-D620 HydrophobicContact CB-CB 3.93Å; P616-L621 HydrophobicContact CB-CD2 3.55Å; P616-L621 HydrophobicContact CB-CG 4.16Å; P616-L621 HydrophobicContact CG-CD2 3.4Å; P616-L621 VanDerWaalsContact CG-CD2 3.4Å; P616-L621 HydrophobicContact CG-CG 4.24Å; P616-L633 HydrophobicContact CB-CD1 3.86Å; P616-L633 HydrophobicContact CG-CD1 3.35Å
617	N	68.3	Low	74.8	Confident	16 Å²	16	42.5 Å²	42.5	9%	0.086	25%	0.248	C	C	.	.			trans	-86.4	168.3	161.9	66.1	57	0	0	0	109.9	Y538 S619 D620 L621	Y538-N617 HydrophobicContact CD2-CB 3.68Å; Y538-N617 HydrophobicContact CE2-CB 3.55Å; N617-S619 PolarHBondContact O-N 2.91Å; N617-S619 VanDerWaalsContact O-N 3.16Å; N617-S619 WeakPolarHBondContact OD1-CA 3.49Å; N617-S619 WeakPolarHBondContact OD1-CB 3.46Å; N617-S619 PolarHBondContact OD1-N 3Å; N617-S619 PolarHBondContact OD1-OG 3.47Å; N617-D620 PolarHBondContact N-OD2 2.83Å; N617-D620 PolarHBondContact ND2-OD2 3.19Å; N617-D620 WeakPolarHBondContact O-CB 3.5Å; N617-D620 PolarHBondContact O-N 3.21Å; N617-D620 PolarHBondContact OD1-N 3.4Å; N617-D620 PolarHBondContact OD1-OD2 3.08Å; N617-L621 WeakPolarHBondContact O-CG 3.42Å; N617-L621 PolarHBondContact O-N 3.45Å
618	S	62.5	Low	73.3	Confident	12 Å²	12	44.4 Å²	44.4	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-31.4	179.3	57	0	0	0	0	115	Y534 L537 D620 L621	Y534-S618 WeakPolarHBondContact O-CB 3.04Å; Y534-S618 PolarHBondContact O-OG 3.46Å; Y534-S618 VanDerWaalsContact O-OG 3.11Å; L537-S618 WeakPolarHBondContact O-CB 3.06Å; L537-S618 PolarHBondContact O-OG 3.45Å; S618-D620 VanDerWaalsContact C-N 3.35Å; S618-L621 PolarHBondContact O-N 2.92Å
619	S	60.3	Low	72	Confident	91 Å²	91	45 Å²	45	64%	0.636	26%	0.258	S	S	*	.	H	α-helix	trans	-73.1	-26.4	178.2	69.3	0	0	0	0	113.2	N617 L621	N617-S619 PolarHBondContact O-N 2.91Å; N617-S619 VanDerWaalsContact O-N 3.16Å; N617-S619 WeakPolarHBondContact OD1-CA 3.49Å; N617-S619 WeakPolarHBondContact OD1-CB 3.46Å; N617-S619 PolarHBondContact OD1-N 3Å; N617-S619 PolarHBondContact OD1-OG 3.47Å; S619-L621 VanDerWaalsContact C-N 3.33Å
620	D	58.4	Low	70.7	Confident	104 Å²	104	44.1 Å²	44.1	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-74	-26.4	174.5	-57.6	-37.3	0	0	0	112.2	P616 N617 S618	P616-D620 HydrophobicContact CB-CB 3.93Å; N617-D620 PolarHBondContact N-OD2 2.83Å; N617-D620 PolarHBondContact ND2-OD2 3.19Å; N617-D620 WeakPolarHBondContact O-CB 3.5Å; N617-D620 PolarHBondContact O-N 3.21Å; N617-D620 PolarHBondContact OD1-N 3.4Å; N617-D620 PolarHBondContact OD1-OD2 3.08Å; S618-D620 VanDerWaalsContact C-N 3.35Å
621	L	60.7	Low	69.4	Low	17 Å²	17	50 Å²	50	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-74.6	-37.7	-174.9	-62.7	-177.9	0	0	0	111.9	L528 P616 N617 S618 S619 F625 L633	L528-L621 HydrophobicContact CD1-CD1 3.92Å; P616-L621 HydrophobicContact CB-CD2 3.55Å; P616-L621 HydrophobicContact CB-CG 4.16Å; P616-L621 HydrophobicContact CG-CD2 3.4Å; P616-L621 VanDerWaalsContact CG-CD2 3.4Å; P616-L621 HydrophobicContact CG-CG 4.24Å; N617-L621 WeakPolarHBondContact O-CG 3.42Å; N617-L621 PolarHBondContact O-N 3.45Å; S618-L621 PolarHBondContact O-N 2.92Å; S619-L621 VanDerWaalsContact C-N 3.33Å; L621-F625 HydrophobicContact CB-CB 3.7Å; L621-F625 HydrophobicContact CB-CD1 4.11Å; L621-F625 HydrophobicContact CB-CD2 4.21Å; L621-F625 HydrophobicContact CB-CG 3.77Å; L621-F625 HydrophobicContact CD1-CD1 3.86Å; L621-F625 HydrophobicContact CD1-CE1 4.09Å; L621-F625 HydrophobicContact CD1-CG 4.39Å; L621-F625 HydrophobicContact CD2-CD1 3.65Å; L621-F625 HydrophobicContact CD2-CD2 3.6Å; L621-F625 HydrophobicContact CD2-CE1 3.52Å; L621-F625 HydrophobicContact CD2-CE2 3.47Å; L621-F625 VanDerWaalsContact CD2-CE2 3.47Å; L621-F625 HydrophobicContact CD2-CG 3.68Å; L621-F625 HydrophobicContact CD2-CZ 3.43Å; L621-F625 VanDerWaalsContact CD2-CZ 3.43Å; L621-F625 HydrophobicContact CG-CD1 4.07Å; L621-F625 HydrophobicContact CG-CD2 4.45Å; L621-F625 HydrophobicContact CG-CE1 4.32Å; L621-F625 HydrophobicContact CG-CG 4.13Å; L621-F625 WeakPolarHBondContact O-CB 3.34Å; L621-L633 HydrophobicContact CD2-CD1 4.38Å
622	G	58.4	Low	68.3	Low	37 Å²	37	57 Å²	57	38%	0.381	31%	0.309	S	S	.	.			trans	73.1	171.7	-171.3	0	0	0	0	0	112.9	D624	G622-D624 VanDerWaalsContact C-N 3.26Å; G622-D624 PolarHBondContact O-N 2.8Å
623	S	60.3	Low	67.3	Low	96 Å²	96	58.3 Å²	58.3	67%	0.671	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.6	-174.1	56.4	0	0	0	0	114.7
624	D	58.9	Low	66.8	Low	140 Å²	140	59.2 Å²	59.2	75%	0.749	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	4.7	-169.1	-59.6	-13.1	0	0	0	113.1	G622 Q626	G622-D624 VanDerWaalsContact C-N 3.26Å; G622-D624 PolarHBondContact O-N 2.8Å; D624-Q626 PolarHBondContact O-N 3.06Å
625	F	58.9	Low	66.5	Low	27 Å²	27	61.9 Å²	61.9	12%	0.118	33%	0.331	C	S	.	.			trans	-65.5	124.8	-178.3	-172.2	-98.8	0	0	0	111.7	L621 D629 L633	L621-F625 HydrophobicContact CB-CB 3.7Å; L621-F625 HydrophobicContact CB-CD1 4.11Å; L621-F625 HydrophobicContact CB-CD2 4.21Å; L621-F625 HydrophobicContact CB-CG 3.77Å; L621-F625 HydrophobicContact CD1-CD1 3.86Å; L621-F625 HydrophobicContact CD1-CE1 4.09Å; L621-F625 HydrophobicContact CD1-CG 4.39Å; L621-F625 HydrophobicContact CD2-CD1 3.65Å; L621-F625 HydrophobicContact CD2-CD2 3.6Å; L621-F625 HydrophobicContact CD2-CE1 3.52Å; L621-F625 HydrophobicContact CD2-CE2 3.47Å; L621-F625 VanDerWaalsContact CD2-CE2 3.47Å; L621-F625 HydrophobicContact CD2-CG 3.68Å; L621-F625 HydrophobicContact CD2-CZ 3.43Å; L621-F625 VanDerWaalsContact CD2-CZ 3.43Å; L621-F625 HydrophobicContact CG-CD1 4.07Å; L621-F625 HydrophobicContact CG-CD2 4.45Å; L621-F625 HydrophobicContact CG-CE1 4.32Å; L621-F625 HydrophobicContact CG-CG 4.13Å; L621-F625 WeakPolarHBondContact O-CB 3.34Å; F625-D629 HydrophobicContact CD2-CB 3.54Å; F625-D629 HydrophobicContact CE2-CB 3.32Å; F625-D629 HydrophobicContact CG-CB 4.29Å; F625-D629 HydrophobicContact CZ-CB 3.9Å; F625-L633 HydrophobicContact CE2-CD1 4.22Å; F625-L633 HydrophobicContact CZ-CD1 4.22Å
626	Q	63.6	Low	66.5	Low	128 Å²	128	64.8 Å²	64.8	60%	0.598	35%	0.35	S	S	*	.			trans	-99.5	151.3	170.9	-61.5	-172.3	0.8	0	0	109.8	D624 T628 D629	D624-Q626 PolarHBondContact O-N 3.06Å; Q626-T628 WeakPolarHBondContact CB-OG1 3.31Å; Q626-T628 PolarHBondContact O-N 3.14Å; Q626-D629 PolarHBondContact N-OD2 2.97Å; Q626-D629 WeakPolarHBondContact O-CA 3.4Å; Q626-D629 WeakPolarHBondContact O-CB 3.41Å; Q626-D629 PolarHBondContact O-N 3.19Å
627	Y	62.5	Low	67.2	Low	87 Å²	87	68.1 Å²	68.1	34%	0.341	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-50.4	-34.9	175.3	177	-101.1	0	0	0	113.2	Q525 D629 S630 I726 F727	Q525-Y627 HydrophobicContact CG-CE2 4.46Å; Y627-D629 PolarHBondContact O-N 2.96Å; Y627-S630 VanDerWaalsContact O-CB 3.23Å; Y627-S630 WeakPolarHBondContact O-CB 3.37Å; Y627-S630 PolarHBondContact O-N 3.41Å; Y627-S630 VanDerWaalsContact O-N 3.12Å; Y627-S630 PolarHBondContact O-OG 3.16Å; Y627-I726 HydrophobicContact CE1-CD1 4.13Å; Y627-I726 PolarHBondContact OH-O 3.34Å; Y627-F727 HydrophobicContact CD1-CE1 4.3Å; Y627-F727 AromaticContact CE1-CD1 3.87Å; Y627-F727 HydrophobicContact CE1-CD1 3.87Å; Y627-F727 AromaticContact CE1-CE1 3.87Å; Y627-F727 HydrophobicContact CE1-CE1 3.87Å
628	T	63.6	Low	68.3	Low	74 Å²	74	74 Å²	74	45%	0.454	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-63.1	-23.6	175.2	49.3	0	0	0	0	114	Q626 S630	Q626-T628 WeakPolarHBondContact CB-OG1 3.31Å; Q626-T628 PolarHBondContact O-N 3.14Å; T628-S630 PolarHBondContact O-N 3.29Å
629	D	67.7	Low	69.9	Low	34 Å²	34	76.3 Å²	76.3	18%	0.182	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-72.3	-15.2	175.2	-67.5	-52.2	0	0	0	112.8	F625 Q626 Y627 K631 K632	F625-D629 HydrophobicContact CD2-CB 3.54Å; F625-D629 HydrophobicContact CE2-CB 3.32Å; F625-D629 HydrophobicContact CG-CB 4.29Å; F625-D629 HydrophobicContact CZ-CB 3.9Å; Q626-D629 PolarHBondContact N-OD2 2.97Å; Q626-D629 WeakPolarHBondContact O-CA 3.4Å; Q626-D629 WeakPolarHBondContact O-CB 3.41Å; Q626-D629 PolarHBondContact O-N 3.19Å; Y627-D629 PolarHBondContact O-N 2.96Å; D629-K631 PolarHBondContact O-N 3.03Å; D629-K631 VanDerWaalsContact O-N 3.1Å; D629-K632 HydrophobicContact CB-CD 4.39Å; D629-K632 VanDerWaalsContact O-CB 3.3Å; D629-K632 WeakPolarHBondContact O-CB 3.5Å; D629-K632 PolarHBondContact O-N 3.24Å; D629-K632 WeakPolarHBondContact OD1-CE 3.45Å; D629-K632 IonicContact OD1-NZ 2.79Å; D629-K632 PolarHBondContact OD1-NZ 3.5Å
630	S	68.8	Low	71.5	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.014	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-53.9	-32.8	175.9	-57.6	0	0	0	0	112.3	Y627 T628 K632 L633 I634	Y627-S630 VanDerWaalsContact O-CB 3.23Å; Y627-S630 WeakPolarHBondContact O-CB 3.37Å; Y627-S630 PolarHBondContact O-N 3.41Å; Y627-S630 VanDerWaalsContact O-N 3.12Å; Y627-S630 PolarHBondContact O-OG 3.16Å; T628-S630 PolarHBondContact O-N 3.29Å; S630-K632 PolarHBondContact O-N 3.32Å; S630-K632 VanDerWaalsContact O-N 3.13Å; S630-L633 WeakPolarHBondContact O-CB 3.39Å; S630-L633 PolarHBondContact O-N 3.43Å; S630-I634 WeakPolarHBondContact O-CD1 3.41Å
631	K	67.9	Low	73.3	Confident	123 Å²	123	70.1 Å²	70.1	54%	0.535	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-54.8	-29.7	174.6	-71.7	-167.3	176	-173.3	0	113.6	D629 L633 I634 I726	D629-K631 PolarHBondContact O-N 3.03Å; D629-K631 VanDerWaalsContact O-N 3.1Å; K631-L633 PolarHBondContact O-N 2.96Å; K631-I634 PolarHBondContact O-N 3.14Å; K631-I726 HydrophobicContact CD-CD1 4.36Å; K631-I726 HydrophobicContact CG-CD1 3.83Å; K631-I726 HydrophobicContact CG-CG1 4.23Å; K631-I726 HydrophobicContact CG-CG2 4.13Å
632	K	72.1	Confident	74.9	Confident	148 Å²	148	72.4 Å²	72.4	64%	0.643	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-70.4	-19.3	179.8	-64	170.7	177.1	162.1	0	113	D629 S630	D629-K632 HydrophobicContact CB-CD 4.39Å; D629-K632 VanDerWaalsContact O-CB 3.3Å; D629-K632 WeakPolarHBondContact O-CB 3.5Å; D629-K632 PolarHBondContact O-N 3.24Å; D629-K632 WeakPolarHBondContact OD1-CE 3.45Å; D629-K632 IonicContact OD1-NZ 2.79Å; D629-K632 PolarHBondContact OD1-NZ 3.5Å; S630-K632 PolarHBondContact O-N 3.32Å; S630-K632 VanDerWaalsContact O-N 3.13Å
633	L	72.3	Confident	76.5	Confident	44 Å²	44	70.7 Å²	70.7	23%	0.23	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-96	-3.6	-176.3	-55.3	175.9	0	0	0	112.8	V614 P616 L621 F625 S630 K631	V614-L633 HydrophobicContact CB-CB 4.42Å; V614-L633 PolarHBondContact N-O 3.3Å; P616-L633 HydrophobicContact CB-CD1 3.86Å; P616-L633 HydrophobicContact CG-CD1 3.35Å; L621-L633 HydrophobicContact CD2-CD1 4.38Å; F625-L633 HydrophobicContact CE2-CD1 4.22Å; F625-L633 HydrophobicContact CZ-CD1 4.22Å; S630-L633 WeakPolarHBondContact O-CB 3.39Å; S630-L633 PolarHBondContact O-N 3.43Å; K631-L633 PolarHBondContact O-N 2.96Å
634	I	78.3	Confident	78.1	Confident	20 Å²	20	68.1 Å²	68.1	10%	0.103	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127	177.7	-65.4	140.9	0	0	0	108.1	F611 M613 S630 K631 F724 I726	F611-I634 HydrophobicContact CD2-CG2 4.39Å; F611-I634 HydrophobicContact CE2-CG2 3.42Å; F611-I634 VanDerWaalsContact CE2-CG2 3.42Å; F611-I634 HydrophobicContact CZ-CG2 3.81Å; M613-I634 HydrophobicContact CE-CG1 4.27Å; M613-I634 HydrophobicContact CG-CG1 3.96Å; M613-I634 HydrophobicContact SD-CG1 4.32Å; S630-I634 WeakPolarHBondContact O-CD1 3.41Å; K631-I634 PolarHBondContact O-N 3.14Å; I634-F724 HydrophobicContact CD1-CD1 3.41Å; I634-F724 VanDerWaalsContact CD1-CD1 3.41Å; I634-F724 HydrophobicContact CD1-CE1 3.85Å; I634-F724 HydrophobicContact CG1-CD1 3.91Å; I634-F724 HydrophobicContact CG1-CE1 4.44Å; I634-F724 HydrophobicContact CG2-CB 4.3Å; I634-I726 HydrophobicContact CD1-CG2 3.53Å
635	H	80.6	Confident	79.5	Confident	94 Å²	94	63.1 Å²	63.1	44%	0.435	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	97	176.5	-61	-52.8	0	0	0	109.1	E612 K637	E612-H635 HydrophobicContact CB-CB 4.46Å; E612-H635 PolarHBondContact N-O 3.18Å; E612-H635 WeakPolarHBondContact O-CA 3.17Å; E612-H635 PolarHBondContact O-N 3.2Å; H635-K637 PolarHBondContact O-N 2.98Å
636	C	82.4	Confident	80.8	Confident	63 Å²	63	66.1 Å²	66.1	43%	0.426	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	114.9	165.7	-56.3	0	0	0	0	108.1	M722 D723	C636-M722 PolarHBondContact SG-O 3.17Å; C636-M722 VanDerWaalsContact SG-O 3.37Å; C636-D723 PolarHBondContact SG-OD1 3Å; C636-D723 VanDerWaalsContact SG-OD1 3.38Å
637	K	85.2	Confident	82.1	Confident	74 Å²	74	62.1 Å²	62.1	32%	0.322	33%	0.33	S	S	.	.			trans	-101.9	107.9	-179.8	-76.2	-179	169.4	175.8	0	108.8	V609 I610 E612 H635 N639	V609-K637 HydrophobicContact CB-CD 4.31Å; V609-K637 HydrophobicContact CG1-CD 3.96Å; V609-K637 WeakPolarHBondContact O-CB 3.35Å; I610-K637 CarbonylContact C-O 3.59Å; I610-K637 WeakPolarHBondContact CA-O 3.49Å; I610-K637 PolarHBondContact O-N 3.14Å; I610-K637 VanDerWaalsContact O-N 3.14Å; E612-K637 WeakPolarHBondContact OE2-CE 3.32Å; E612-K637 IonicContact OE2-NZ 3.59Å; E612-K637 PolarHBondContact OE2-NZ 3.21Å; H635-K637 PolarHBondContact O-N 2.98Å; K637-N639 PolarHBondContact O-N 3.39Å
638	Q	90.9	Very high	83.5	Confident	140 Å²	140	58.2 Å²	58.2	65%	0.654	32%	0.316	S	S	*	.			trans	-79.2	112.1	169.8	-170.3	178	-2.9	0	0	109.3	S719 C721	Q638-S719 WeakPolarHBondContact CG-OG 3.37Å; Q638-S719 PolarHBondContact NE2-OG 3.42Å; Q638-C721 HydrophobicContact CB-CB 4.32Å; Q638-C721 HydrophobicContact CG-CB 4.49Å
639	N	95.3	Very high	85	Confident	60 Å²	60	55.2 Å²	55.2	32%	0.321	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157.1	175.9	-88.1	-42.2	0	0	0	111	C608 V609 K637 S719 A720	C608-N639 HydrophobicContact CB-CB 4.22Å; C608-N639 VanDerWaalsContact SG-CB 3.56Å; V609-N639 PolarHBondContact O-ND2 3.09Å; K637-N639 PolarHBondContact O-N 3.39Å; N639-S719 CarbonylContact O-C 3.48Å; N639-S719 WeakPolarHBondContact O-CA 3.24Å; N639-A720 PolarHBondContact N-O 3.23Å; N639-A720 PolarHBondContact O-N 3.12Å
640	T	95.2	Very high	86.3	Confident	61 Å²	61	53.6 Å²	53.6	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.2	174.8	-59.6	0	0	0	0	109.5	R717 I718 L738	T640-R717 HydrophobicContact CG2-CB 4.09Å; T640-I718 CarbonylContact C-O 3.56Å; T640-I718 WeakPolarHBondContact CA-O 3.33Å; T640-L738 HydrophobicContact CG2-CD1 3.6Å
641	L	95.1	Very high	87.7	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.1	169.2	-64	163.3	0	0	0	108.6	A549 L551 S605 D606 C608 I651 R717 I718 A720	A549-L641 HydrophobicContact CB-CD1 4.01Å; L551-L641 HydrophobicContact CD1-CB 3.84Å; L551-L641 HydrophobicContact CD2-CB 4.06Å; L551-L641 HydrophobicContact CD2-CD1 3.83Å; L551-L641 HydrophobicContact CG-CB 3.74Å; L551-L641 HydrophobicContact CG-CD1 4.12Å; L551-L641 HydrophobicContact CG-CG 4.4Å; S605-L641 WeakPolarHBondContact OG-CD2 3.45Å; D606-L641 WeakPolarHBondContact O-CD2 3.39Å; C608-L641 HydrophobicContact CB-CD2 4.44Å; C608-L641 WeakPolarHBondContact SG-CD2 2.89Å; L641-I651 HydrophobicContact CD1-CG2 4.45Å; L641-R717 CarbonylContact O-C 3.35Å; L641-R717 WeakPolarHBondContact O-CA 3.08Å; L641-I718 PolarHBondContact N-O 3.17Å; L641-I718 PolarHBondContact O-N 2.83Å; L641-A720 HydrophobicContact CD1-CB 4.05Å
642	T	94.4	Very high	89.1	Confident	64 Å²	64	47.6 Å²	47.6	39%	0.393	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.1	176	-55.2	0	0	0	0	108.7	L715 R717	T642-L715 HydrophobicContact CG2-CB 4.29Å; T642-R717 HydrophobicContact CG2-CG 3.98Å
643	A	93.5	Very high	90.3	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	23%	0.231	C	C	.	.			trans	-73.9	135.2	-179.1	0	0	0	0	0	110.8	L551 R604 S645 V648 L715 L716	L551-A643 HydrophobicContact CD1-CB 3.77Å; R604-A643 CarbonylContact O-C 3.53Å; R604-A643 VanDerWaalsContact O-CA 3.31Å; R604-A643 WeakPolarHBondContact O-CA 3.36Å; A643-S645 VanDerWaalsContact C-N 3.31Å; A643-V648 HydrophobicContact CB-CB 4.5Å; A643-V648 HydrophobicContact CB-CG1 3.85Å; A643-L715 WeakPolarHBondContact O-CD2 3.37Å; A643-L716 HydrophobicContact CB-CB 3.88Å; A643-L716 HydrophobicContact CB-CD2 4.47Å; A643-L716 PolarHBondContact N-O 3.28Å
644	S	92.4	Very high	91.5	Very high	42 Å²	42	38.8 Å²	38.8	29%	0.294	22%	0.221	S	C	.	.	S	Bend	trans	-80.7	-10.5	171.5	59.3	0	0	0	0	113.9	R604 N685	R604-S644 WeakPolarHBondContact CA-OG 3.44Å; R604-S644 PolarHBondContact O-N 3.15Å; R604-S644 PolarHBondContact O-OG 2.8Å; S644-N685 WeakPolarHBondContact CB-OD1 3.34Å; S644-N685 PolarHBondContact OG-OD1 3.41Å
645	S	88.8	Confident	92.2	Very high	35 Å²	35	37.9 Å²	37.9	25%	0.245	22%	0.217	C	C	.	.			trans	-151.4	148.4	-175.5	178.1	0	0	0	0	110.4	A643 S647 V648	A643-S645 VanDerWaalsContact C-N 3.31Å; S645-S647 PolarHBondContact O-N 2.94Å; S645-S647 WeakPolarHBondContact OG-CB 3.47Å; S645-S647 PolarHBondContact OG-N 2.93Å; S645-S647 VanDerWaalsContact OG-N 3.12Å; S645-S647 PolarHBondContact OG-OG 3.21Å; S645-V648 WeakPolarHBondContact O-CG1 3.35Å
646	S	87.4	Confident	92.9	Very high	90 Å²	90	35.2 Å²	35.2	63%	0.629	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.3	170.9	56.2	0	0	0	0	113.6	V648 I710	S646-V648 VanDerWaalsContact C-N 3.26Å; S646-V648 PolarHBondContact O-N 2.81Å; S646-I710 WeakPolarHBondContact O-CG2 3.46Å
647	S	89.1	Confident	93.4	Very high	44 Å²	44	32.2 Å²	32.2	31%	0.308	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.3	177.8	66	0	0	0	0	114.4	D553 S645 N649	D553-S647 VanDerWaalsContact OD2-CB 3.31Å; D553-S647 WeakPolarHBondContact OD2-CB 3.32Å; D553-S647 PolarHBondContact OD2-OG 2.94Å; S645-S647 PolarHBondContact O-N 2.94Å; S645-S647 WeakPolarHBondContact OG-CB 3.47Å; S645-S647 PolarHBondContact OG-N 2.93Å; S645-S647 VanDerWaalsContact OG-N 3.12Å; S645-S647 PolarHBondContact OG-OG 3.21Å; S647-N649 PolarHBondContact O-N 2.82Å; S647-N649 PolarHBondContact O-ND2 2.86Å
648	V	93.4	Very high	93.7	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	17%	0.172	C	C	.	.			trans	-52.1	134.3	176.6	59.1	0	0	0	0	111.1	L551 V552 R604 A643 S645 S646 F702 L716	L551-V648 HydrophobicContact CB-CG2 3.83Å; L551-V648 HydrophobicContact CD2-CG2 4.49Å; L551-V648 HydrophobicContact CG-CG2 4.48Å; V552-V648 WeakPolarHBondContact O-CG2 3.23Å; R604-V648 HydrophobicContact CB-CB 4.2Å; R604-V648 HydrophobicContact CB-CG2 4.31Å; R604-V648 HydrophobicContact CG-CB 4.22Å; A643-V648 HydrophobicContact CB-CB 4.5Å; A643-V648 HydrophobicContact CB-CG1 3.85Å; S645-V648 WeakPolarHBondContact O-CG1 3.35Å; S646-V648 VanDerWaalsContact C-N 3.26Å; S646-V648 PolarHBondContact O-N 2.81Å; V648-F702 HydrophobicContact CB-CE2 4.35Å; V648-F702 HydrophobicContact CG1-CE2 4Å; V648-F702 HydrophobicContact CG2-CE2 3.75Å; V648-F702 HydrophobicContact CG2-CZ 3.92Å; V648-L716 HydrophobicContact CG1-CD2 3.58Å
649	N	94.1	Very high	93.5	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.053	14%	0.142	C	C	.	.			trans	-139.4	3.7	-173.3	53.3	59.5	0	0	0	114.2	V552 D553 F554 W558 S647 F702	V552-N649 PolarHBondContact O-N 2.95Å; D553-N649 PolarHBondContact OD1-ND2 2.95Å; F554-N649 WeakPolarHBondContact CA-OD1 3.48Å; F554-N649 WeakPolarHBondContact CB-OD1 3.5Å; F554-N649 WeakPolarHBondContact CD2-OD1 3.23Å; F554-N649 PolarHBondContact N-ND2 2.75Å; F554-N649 PolarHBondContact N-OD1 3.5Å; F554-N649 PolarHBondContact O-ND2 3.16Å; F554-N649 VanDerWaalsContact O-ND2 3.07Å; F554-N649 PolarHBondContact O-OD1 3.13Å; W558-N649 HydrophobicContact CB-CB 4.12Å; W558-N649 HydrophobicContact CG-CB 4.12Å; S647-N649 PolarHBondContact O-N 2.82Å; S647-N649 PolarHBondContact O-ND2 2.86Å; N649-F702 WeakPolarHBondContact O-CB 3.36Å; N649-F702 PolarHBondContact O-N 2.8Å
650	G	95.8	Very high	92.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	-177.4	170	0	0	0	0	0	114.4	V552 F700	V552-G650 PolarHBondContact N-O 3.03Å; V552-G650 PolarHBondContact O-N 3.17Å; V552-G650 VanDerWaalsContact O-N 3.09Å; G650-F700 CarbonylContact C-O 3.57Å; G650-F700 WeakPolarHBondContact CA-O 3.41Å
651	I	97.4	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.6	175	-48.8	-177.8	0	0	0	107.8	A549 I550 L551 L641 L653 V699 F700 F702 I718 F735	A549-I651 HydrophobicContact CB-CG2 3.88Å; I550-I651 VanDerWaalsContact O-CA 3.3Å; I550-I651 WeakPolarHBondContact O-CA 3.49Å; I550-I651 WeakPolarHBondContact O-CG2 3.4Å; L551-I651 HydrophobicContact CD2-CD1 4.13Å; L551-I651 HydrophobicContact CD2-CG1 3.79Å; L641-I651 HydrophobicContact CD1-CG2 4.45Å; I651-L653 HydrophobicContact CG2-CD2 4.29Å; I651-L653 HydrophobicContact CG2-CG 4.45Å; I651-V699 WeakPolarHBondContact O-CA 3.38Å; I651-F700 HydrophobicContact CB-CB 4.22Å; I651-F700 HydrophobicContact CB-CD1 4.49Å; I651-F700 HydrophobicContact CD1-CD1 3.83Å; I651-F700 HydrophobicContact CD1-CE1 4.48Å; I651-F700 HydrophobicContact CG1-CD1 3.95Å; I651-F700 PolarHBondContact N-O 2.85Å; I651-F700 PolarHBondContact O-N 3.31Å; I651-F702 HydrophobicContact CD1-CE1 4.2Å; I651-F702 HydrophobicContact CG1-CE1 3.73Å; I651-F702 HydrophobicContact CG1-CZ 4.35Å; I651-I718 HydrophobicContact CD1-CG2 4.22Å; I651-F735 HydrophobicContact CD1-CB 4.3Å; I651-F735 HydrophobicContact CD1-CD1 3.45Å; I651-F735 VanDerWaalsContact CD1-CD1 3.45Å; I651-F735 HydrophobicContact CD1-CD2 4.17Å; I651-F735 HydrophobicContact CD1-CE1 3.72Å; I651-F735 HydrophobicContact CD1-CE2 4.38Å; I651-F735 HydrophobicContact CD1-CG 3.71Å; I651-F735 HydrophobicContact CD1-CZ 4.19Å; I651-F735 HydrophobicContact CG2-CE1 4.36Å; I651-F735 HydrophobicContact CG2-CZ 4.49Å
652	A	97.8	Very high	89.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.7	169.9	0	0	0	0	0	110.3	A549 I550 V552 F554 L596 W690 G698	A549-A652 WeakPolarHBondContact CA-O 3.23Å; I550-A652 HydrophobicContact CG2-CB 3.93Å; I550-A652 PolarHBondContact N-O 3.41Å; I550-A652 PolarHBondContact O-N 2.93Å; V552-A652 HydrophobicContact CG2-CB 3.7Å; F554-A652 HydrophobicContact CZ-CB 4.4Å; L596-A652 HydrophobicContact CD1-CB 3.51Å; A652-W690 HydrophobicContact CB-CH2 3.68Å; A652-W690 HydrophobicContact CB-CZ2 3.64Å; A652-G698 CarbonylContact C-O 3.49Å
653	L	97.4	Very high	87.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.2	-174.7	-58.5	156.7	0	0	0	110.2	W515 Y548 A549 I591 I610 I651 G698 F735	W515-L653 HydrophobicContact CH2-CB 4.02Å; W515-L653 HydrophobicContact CH2-CD1 3.92Å; W515-L653 HydrophobicContact CZ3-CB 3.84Å; Y548-L653 VanDerWaalsContact O-CA 3.28Å; Y548-L653 WeakPolarHBondContact O-CA 3.36Å; Y548-L653 WeakPolarHBondContact O-CD2 3.27Å; A549-L653 HydrophobicContact CB-CD2 3.64Å; I591-L653 HydrophobicContact CD1-CD1 3.42Å; I591-L653 VanDerWaalsContact CD1-CD1 3.42Å; I591-L653 HydrophobicContact CG1-CD1 3.96Å; I591-L653 HydrophobicContact CG2-CD1 4Å; I610-L653 HydrophobicContact CD1-CD2 3.73Å; I651-L653 HydrophobicContact CG2-CD2 4.29Å; I651-L653 HydrophobicContact CG2-CG 4.45Å; L653-G698 WeakPolarHBondContact CB-O 3.42Å; L653-G698 PolarHBondContact N-O 3.36Å; L653-G698 PolarHBondContact O-N 3Å; L653-F735 HydrophobicContact CD1-CZ 4Å; L653-F735 HydrophobicContact CD2-CZ 4.05Å
654	W	96.2	Very high	85.7	Confident	7 Å²	7	26 Å²	26	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164	173.7	72.9	97.3	0	0	0	111	I547 Y548 I550 A607 A676 P678 W690	I547-W654 WeakPolarHBondContact CA-O 3.3Å; Y548-W654 VanDerWaalsContact CB-CE2 3.45Å; Y548-W654 HydrophobicContact CD1-CH2 4.42Å; Y548-W654 AromaticContact CD1-CZ2 3.93Å; Y548-W654 HydrophobicContact CD1-CZ2 3.93Å; Y548-W654 HydrophobicContact CD2-CZ2 4.25Å; Y548-W654 AromaticContact CD2-NE1 3.8Å; Y548-W654 AromaticContact CG-CE2 3.77Å; Y548-W654 HydrophobicContact CG-CH2 4.21Å; Y548-W654 AromaticContact CG-CZ2 3.61Å; Y548-W654 HydrophobicContact CG-CZ2 3.61Å; Y548-W654 PolarHBondContact N-O 2.72Å; Y548-W654 PolarHBondContact O-N 3.46Å; I550-W654 HydrophobicContact CB-CH2 4.45Å; I550-W654 HydrophobicContact CB-CZ3 4.14Å; I550-W654 HydrophobicContact CG2-CH2 4.38Å; I550-W654 HydrophobicContact CG2-CZ3 3.72Å; A607-W654 HydrophobicContact CB-CH2 3.55Å; A607-W654 HydrophobicContact CB-CZ2 4.14Å; W654-A676 HydrophobicContact CB-CB 4.42Å; W654-P678 HydrophobicContact CZ2-CG 4.23Å; W654-W690 HydrophobicContact CD2-CZ3 4.34Å; W654-W690 AromaticContact CE3-CH2 3.96Å; W654-W690 HydrophobicContact CE3-CH2 3.96Å; W654-W690 AromaticContact CE3-CZ3 3.93Å; W654-W690 HydrophobicContact CE3-CZ3 3.93Å; W654-W690 HydrophobicContact CZ3-CH2 4.04Å; W654-W690 HydrophobicContact CZ3-CZ3 4.34Å
655	C	94.7	Very high	83.7	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	151.5	176.3	66.2	0	0	0	0	112.7	P514 L545 R546 I547 W657	P514-C655 HydrophobicContact CB-CB 4.08Å; P514-C655 VanDerWaalsContact CB-SG 3.53Å; P514-C655 PolarHBondContact O-SG 3.48Å; L545-C655 HydrophobicContact CD1-CB 3.66Å; R546-C655 CarbonylContact O-C 3.59Å; R546-C655 WeakPolarHBondContact O-CA 3.3Å; I547-C655 HydrophobicContact CG1-CB 4.44Å; C655-W657 PolarHBondContact SG-NE1 3.47Å
656	E	94.3	Very high	81.8	Confident	37 Å²	37	36 Å²	36	17%	0.173	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.1	166.5	-53	-169.8	147.2	0	0	109.6	L545 R546 Y548 W672 A674	L545-E656 WeakPolarHBondContact CA-O 3.41Å; R546-E656 PolarHBondContact N-O 2.87Å; R546-E656 PolarHBondContact O-N 3.26Å; Y548-E656 HydrophobicContact CD2-CG 3.96Å; Y548-E656 HydrophobicContact CE2-CB 4.26Å; Y548-E656 HydrophobicContact CE2-CG 3.55Å; Y548-E656 WeakPolarHBondContact CE2-OE2 3.5Å; Y548-E656 VanDerWaalsContact CZ-OE2 3.31Å; Y548-E656 PolarHBondContact OH-OE2 3.37Å; E656-W672 HydrophobicContact CB-CB 4.42Å; E656-W672 HydrophobicContact CB-CE3 3.8Å; E656-A674 HydrophobicContact CB-CB 4.37Å; E656-A674 HydrophobicContact CG-CB 3.81Å
657	W	93.3	Very high	80.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.7	-178.1	-59.4	98.1	0	0	0	109.8	P506 S517 L518 F520 P542 R544 L545 L615 C655 Y659 W672 Y673	P506-W657 HydrophobicContact CB-CD2 4.06Å; P506-W657 HydrophobicContact CB-CE3 4.38Å; P506-W657 HydrophobicContact CB-CH2 4.03Å; P506-W657 HydrophobicContact CB-CZ2 3.69Å; P506-W657 HydrophobicContact CB-CZ3 4.36Å; P506-W657 HydrophobicContact CG-CD2 3.61Å; P506-W657 VanDerWaalsContact CG-CE2 3.48Å; P506-W657 HydrophobicContact CG-CE3 4.26Å; P506-W657 HydrophobicContact CG-CG 3.73Å; P506-W657 HydrophobicContact CG-CZ2 4.05Å; S517-W657 WeakPolarHBondContact OG-CZ2 3.37Å; L518-W657 HydrophobicContact CD2-CH2 3.8Å; L518-W657 HydrophobicContact CD2-CZ3 3.94Å; L518-W657 HydrophobicContact CG-CH2 4.07Å; F520-W657 HydrophobicContact CE1-CH2 4.07Å; F520-W657 AromaticContact CE1-CZ3 3.8Å; F520-W657 HydrophobicContact CE1-CZ3 3.8Å; F520-W657 AromaticContact CZ-CZ3 3.9Å; F520-W657 HydrophobicContact CZ-CZ3 3.9Å; P542-W657 HydrophobicContact CB-CB 4.08Å; P542-W657 HydrophobicContact CB-CE3 4.06Å; P542-W657 HydrophobicContact CG-CD2 4.37Å; P542-W657 HydrophobicContact CG-CE3 3.67Å; P542-W657 HydrophobicContact CG-CZ3 4.22Å; R544-W657 WeakPolarHBondContact O-CA 3.16Å; L545-W657 HydrophobicContact CB-CE3 3.97Å; L545-W657 HydrophobicContact CB-CH2 4.43Å; L545-W657 HydrophobicContact CB-CZ3 3.77Å; L545-W657 HydrophobicContact CD1-CD2 4.06Å; L545-W657 HydrophobicContact CD1-CE3 3.98Å; L545-W657 HydrophobicContact CD1-CH2 3.8Å; L545-W657 HydrophobicContact CD1-CZ2 3.85Å; L545-W657 HydrophobicContact CD1-CZ3 3.86Å; L545-W657 HydrophobicContact CD2-CH2 3.94Å; L545-W657 HydrophobicContact CD2-CZ3 4.07Å; L545-W657 HydrophobicContact CG-CE3 4.47Å; L545-W657 HydrophobicContact CG-CH2 4.27Å; L545-W657 HydrophobicContact CG-CZ3 4.11Å; L615-W657 HydrophobicContact CD1-CE3 4.45Å; L615-W657 HydrophobicContact CD1-CZ3 4.26Å; C655-W657 PolarHBondContact SG-NE1 3.47Å; W657-Y659 HydrophobicContact CB-CD2 4.2Å; W657-Y659 HydrophobicContact CB-CE2 3.56Å; W657-Y659 WeakPolarHBondContact O-CD2 3.36Å; W657-W672 CarbonylContact O-C 3.43Å; W657-W672 WeakPolarHBondContact O-CA 3.37Å; W657-Y673 PolarHBondContact N-O 2.87Å; W657-Y673 PolarHBondContact O-N 3.06Å
658	L	91.9	Very high	78.6	Confident	14 Å²	14	40.3 Å²	40.3	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.3	173.3	-179.3	58.2	0	0	0	109.7	P542 V543 R544 T670 W672	P542-L658 WeakPolarHBondContact CA-O 3.09Å; V543-L658 HydrophobicContact CG2-CB 4.18Å; V543-L658 HydrophobicContact CG2-CD2 3.97Å; V543-L658 HydrophobicContact CG2-CG 3.81Å; V543-L658 WeakPolarHBondContact CG2-O 3.45Å; V543-L658 PolarHBondContact N-O 3.35Å; R544-L658 HydrophobicContact CB-CB 3.77Å; R544-L658 HydrophobicContact CB-CD2 4.22Å; R544-L658 HydrophobicContact CG-CB 4.34Å; R544-L658 HydrophobicContact CG-CD2 3.9Å; R544-L658 PolarHBondContact O-N 2.74Å; L658-T670 HydrophobicContact CD1-CG2 4.1Å; L658-W672 HydrophobicContact CB-CD2 4.08Å; L658-W672 HydrophobicContact CB-CE3 3.85Å; L658-W672 HydrophobicContact CB-CH2 3.73Å; L658-W672 HydrophobicContact CB-CZ2 3.94Å; L658-W672 HydrophobicContact CB-CZ3 3.67Å; L658-W672 HydrophobicContact CD1-CD2 4.26Å; L658-W672 HydrophobicContact CD1-CZ2 4.26Å; L658-W672 HydrophobicContact CD2-CH2 4.35Å; L658-W672 HydrophobicContact CD2-CZ2 4.04Å; L658-W672 HydrophobicContact CG-CZ2 4.31Å
659	Y	86.1	Confident	77.1	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.02	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.6	176.1	-76.3	-98	0	0	0	111.7	F397 I401 P506 S541 P542 W657 T661 W671 Y673	F397-Y659 AromaticContact CD2-CD1 3.86Å; F397-Y659 HydrophobicContact CD2-CD1 3.86Å; F397-Y659 AromaticContact CD2-CE1 3.75Å; F397-Y659 HydrophobicContact CD2-CE1 3.75Å; F397-Y659 HydrophobicContact CD2-CE2 4.38Å; F397-Y659 HydrophobicContact CD2-CG 4.32Å; F397-Y659 AromaticContact CD2-CZ 3.95Å; F397-Y659 AromaticContact CE2-CD1 3.38Å; F397-Y659 HydrophobicContact CE2-CD1 3.38Å; F397-Y659 AromaticContact CE2-CE1 3.01Å; F397-Y659 HydrophobicContact CE2-CE1 3.01Å; F397-Y659 HydrophobicContact CE2-CE2 4.34Å; F397-Y659 HydrophobicContact CE2-CG 4.26Å; F397-Y659 AromaticContact CE2-CZ 3.51Å; F397-Y659 HydrophobicContact CZ-CD1 4.44Å; F397-Y659 AromaticContact CZ-CE1 3.71Å; F397-Y659 HydrophobicContact CZ-CE1 3.71Å; I401-Y659 HydrophobicContact CD1-CD1 4Å; I401-Y659 HydrophobicContact CD1-CE1 4.16Å; P506-Y659 WeakPolarHBondContact CD-OH 3.42Å; S541-Y659 VanDerWaalsContact OG-CA 3.32Å; S541-Y659 WeakPolarHBondContact OG-CA 3.41Å; S541-Y659 WeakPolarHBondContact OG-CD1 3.48Å; S541-Y659 WeakPolarHBondContact OG-CE1 3.35Å; P542-Y659 HydrophobicContact CB-CE1 4.32Å; P542-Y659 HydrophobicContact CB-CE2 4.31Å; W657-Y659 HydrophobicContact CB-CD2 4.2Å; W657-Y659 HydrophobicContact CB-CE2 3.56Å; W657-Y659 WeakPolarHBondContact O-CD2 3.36Å; Y659-T661 PolarHBondContact O-N 2.52Å; Y659-W671 HydrophobicContact CD2-CE3 4.49Å; Y659-W671 HydrophobicContact CD2-CZ3 4.19Å; Y659-W671 HydrophobicContact CG-CZ3 4.38Å; Y659-W671 PolarHBondContact N-O 3.46Å; Y659-Y673 VanDerWaalsContact CE2-CB 3.48Å; Y659-Y673 AromaticContact CE2-CD1 3.99Å; Y659-Y673 HydrophobicContact CE2-CD1 3.99Å; Y659-Y673 HydrophobicContact CE2-CG 4.13Å
660	N	75.2	Confident	76.3	Confident	55 Å²	55	47.7 Å²	47.7	29%	0.294	27%	0.272	S	S	.	.			trans	-75.7	96	173.9	-167.7	4.1	0	0	0	109.3	S404 Y538 F540 S541 V543	S404-N660 VanDerWaalsContact CB-O 3.28Å; S404-N660 WeakPolarHBondContact CB-O 3.06Å; S404-N660 PolarHBondContact OG-O 2.99Å; Y538-N660 PolarHBondContact OH-ND2 3.28Å; F540-N660 WeakPolarHBondContact O-CB 3.33Å; S541-N660 PolarHBondContact OG-N 3.09Å; V543-N660 HydrophobicContact CG1-CB 4.2Å
661	T	66.9	Low	75.7	Confident	22 Å²	22	50.4 Å²	50.4	14%	0.135	28%	0.283	C	S	.	.			trans	-120.4	150.5	-176.9	63	0	0	0	0	110.3	K400 Y659 A663 W671	K400-T661 HydrophobicContact CB-CG2 3.77Å; K400-T661 HydrophobicContact CD-CG2 4.37Å; Y659-T661 PolarHBondContact O-N 2.52Å; T661-A663 PolarHBondContact O-N 3.4Å; T661-W671 HydrophobicContact CG2-CE3 4.47Å
662	P	61.4	Low	75.4	Confident	47 Å²	47	52.8 Å²	52.8	31%	0.305	29%	0.292	S	S	.	.			trans	-62	138	173.2	-16.5	31.8	0	0	0	108.8	T664	P662-T664 PolarHBondContact O-N 2.76Å; P662-T664 VanDerWaalsContact O-N 3.08Å
663	A	54.9	Low	75.1	Confident	56 Å²	56	53 Å²	53	46%	0.463	29%	0.293	S	S	.	.			trans	-50.8	117.1	170.2	0	0	0	0	0	110.1	T661 Q666	T661-A663 PolarHBondContact O-N 3.4Å; A663-Q666 WeakPolarHBondContact CB-O 3.38Å
664	T	51.2	Low	74.9	Confident	76 Å²	76	53.4 Å²	53.4	47%	0.466	30%	0.296	S	S	.	.	S	Bend	trans	-80.1	-37.6	179.5	32.6	0	0	0	0	112.1	P662 E669	P662-T664 PolarHBondContact O-N 2.76Å; P662-T664 VanDerWaalsContact O-N 3.08Å; T664-E669 VanDerWaalsContact OG1-CD 3.24Å; T664-E669 PolarHBondContact OG1-OE1 2.97Å; T664-E669 PolarHBondContact OG1-OE2 2.86Å
665	H	50.6	Low	74.6	Confident	162 Å²	162	53.5 Å²	53.5	75%	0.75	30%	0.298	S	S	*	.	S	Bend	trans	-130.2	-38.2	-179.6	-61.6	-64.5	0	0	0	113.8	E669	H665-E669 WeakPolarHBondContact CB-OE2 3.48Å; H665-E669 IonicContact CD2-OE1 2.96Å; H665-E669 IonicContact CD2-OE2 2.89Å; H665-E669 IonicContact CG-OE2 3.64Å; H665-E669 PolarHBondContact N-OE2 3.01Å
666	Q	49.4	Very low	74.4	Confident	126 Å²	126	53.5 Å²	53.5	59%	0.589	30%	0.297	S	S	*	.	S	Bend	trans	-134.6	144.4	179.6	-66.9	-171.2	-6.1	0	0	111.9	A663 S668 E669	A663-Q666 WeakPolarHBondContact CB-O 3.38Å; Q666-S668 PolarHBondContact O-N 3.23Å; Q666-E669 VanDerWaalsContact O-CB 3.28Å; Q666-E669 WeakPolarHBondContact O-CB 3.48Å; Q666-E669 PolarHBondContact O-N 2.86Å
667	P	52.7	Low	74.4	Confident	133 Å²	133	51.7 Å²	51.7	86%	0.864	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.4	178.9	-24.8	33	0	0	0	115.1
668	S	56.2	Low	74.4	Confident	90 Å²	90	52.8 Å²	52.8	63%	0.629	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	0	179.2	56.7	0	0	0	0	114.5	Q666 T670	Q666-S668 PolarHBondContact O-N 3.23Å; S668-T670 PolarHBondContact O-N 2.85Å
669	E	62.4	Low	74.3	Confident	81 Å²	81	55.5 Å²	55.5	38%	0.379	31%	0.311	S	S	.	.			trans	-68.4	120.2	-178.7	-168.8	176.6	-166	0	0	110	T664 H665 Q666	T664-E669 VanDerWaalsContact OG1-CD 3.24Å; T664-E669 PolarHBondContact OG1-OE1 2.97Å; T664-E669 PolarHBondContact OG1-OE2 2.86Å; H665-E669 WeakPolarHBondContact CB-OE2 3.48Å; H665-E669 IonicContact CD2-OE1 2.96Å; H665-E669 IonicContact CD2-OE2 2.89Å; H665-E669 IonicContact CG-OE2 3.64Å; H665-E669 PolarHBondContact N-OE2 3.01Å; Q666-E669 VanDerWaalsContact O-CB 3.28Å; Q666-E669 WeakPolarHBondContact O-CB 3.48Å; Q666-E669 PolarHBondContact O-N 2.86Å
670	T	75.5	Confident	74.2	Confident	89 Å²	89	61.9 Å²	61.9	55%	0.546	34%	0.339	S	S	.	.			trans	-109.4	138.6	177	52.1	0	0	0	0	109.4	L658 S668	L658-T670 HydrophobicContact CD1-CG2 4.1Å; S668-T670 PolarHBondContact O-N 2.85Å
671	W	84.5	Confident	74.4	Confident	57 Å²	57	66.8 Å²	66.8	22%	0.216	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119	179.2	-172.7	74.9	0	0	0	110.3	T396 F397 K400 Y659 T661 Y673	T396-W671 HydrophobicContact CG2-CZ2 4.13Å; F397-W671 HydrophobicContact CB-CH2 3.74Å; F397-W671 HydrophobicContact CB-CZ3 4.14Å; F397-W671 HydrophobicContact CD2-CZ3 4.21Å; K400-W671 HydrophobicContact CD-CD2 3.75Å; K400-W671 HydrophobicContact CD-CE3 4Å; K400-W671 HydrophobicContact CD-CG 4.06Å; K400-W671 HydrophobicContact CD-CZ3 4.48Å; Y659-W671 HydrophobicContact CD2-CE3 4.49Å; Y659-W671 HydrophobicContact CD2-CZ3 4.19Å; Y659-W671 HydrophobicContact CG-CZ3 4.38Å; Y659-W671 PolarHBondContact N-O 3.46Å; T661-W671 HydrophobicContact CG2-CE3 4.47Å; W671-Y673 AromaticContact CH2-CD2 3.64Å; W671-Y673 HydrophobicContact CH2-CD2 3.64Å; W671-Y673 HydrophobicContact CH2-CG 4.05Å; W671-Y673 HydrophobicContact CZ2-CD2 4.32Å; W671-Y673 HydrophobicContact CZ3-CD2 4.39Å; W671-Y673 HydrophobicContact CZ3-CG 4.36Å
672	W	90.6	Very high	75	Confident	50 Å²	50	66.8 Å²	66.8	19%	0.189	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129	-179.8	-65.7	83.4	0	0	0	109.7	R544 R546 E656 W657 L658	R544-W672 HydrophobicContact CB-CH2 3.92Å; R544-W672 HydrophobicContact CB-CZ3 4.25Å; R546-W672 HydrophobicContact CB-CZ3 4.25Å; R546-W672 HydrophobicContact CG-CH2 3.82Å; R546-W672 HydrophobicContact CG-CZ3 3.76Å; R546-W672 VanDerWaalsContact NE-CH2 3.32Å; E656-W672 HydrophobicContact CB-CB 4.42Å; E656-W672 HydrophobicContact CB-CE3 3.8Å; W657-W672 CarbonylContact O-C 3.43Å; W657-W672 WeakPolarHBondContact O-CA 3.37Å; L658-W672 HydrophobicContact CB-CD2 4.08Å; L658-W672 HydrophobicContact CB-CE3 3.85Å; L658-W672 HydrophobicContact CB-CH2 3.73Å; L658-W672 HydrophobicContact CB-CZ2 3.94Å; L658-W672 HydrophobicContact CB-CZ3 3.67Å; L658-W672 HydrophobicContact CD1-CD2 4.26Å; L658-W672 HydrophobicContact CD1-CZ2 4.26Å; L658-W672 HydrophobicContact CD2-CH2 4.35Å; L658-W672 HydrophobicContact CD2-CZ2 4.04Å; L658-W672 HydrophobicContact CG-CZ2 4.31Å
673	Y	91.6	Very high	76.4	Confident	5 Å²	5	68 Å²	68	2%	0.02	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.9	173.4	-177.3	-121	0	0	0	109.2	E388 D393 F397 W657 Y659 W671 P675	E388-Y673 PolarHBondContact OE1-OH 3.18Å; D393-Y673 HydrophobicContact CB-CE2 4.05Å; F397-Y673 HydrophobicContact CB-CD2 4.27Å; F397-Y673 HydrophobicContact CB-CE2 4.24Å; W657-Y673 PolarHBondContact N-O 2.87Å; W657-Y673 PolarHBondContact O-N 3.06Å; Y659-Y673 VanDerWaalsContact CE2-CB 3.48Å; Y659-Y673 AromaticContact CE2-CD1 3.99Å; Y659-Y673 HydrophobicContact CE2-CD1 3.99Å; Y659-Y673 HydrophobicContact CE2-CG 4.13Å; W671-Y673 AromaticContact CH2-CD2 3.64Å; W671-Y673 HydrophobicContact CH2-CD2 3.64Å; W671-Y673 HydrophobicContact CH2-CG 4.05Å; W671-Y673 HydrophobicContact CZ2-CD2 4.32Å; W671-Y673 HydrophobicContact CZ3-CD2 4.39Å; W671-Y673 HydrophobicContact CZ3-CG 4.36Å; Y673-P675 HydrophobicContact CD1-CG 4.3Å; Y673-P675 HydrophobicContact CE1-CB 3.93Å; Y673-P675 HydrophobicContact CE1-CG 3.84Å
674	A	92.9	Very high	78.2	Confident	9 Å²	9	68.5 Å²	68.5	7%	0.074	36%	0.364	C	S	.	.			trans	-132.8	81.2	-175.6	0	0	0	0	0	109	E656 A676 G677 K691	E656-A674 HydrophobicContact CB-CB 4.37Å; E656-A674 HydrophobicContact CG-CB 3.81Å; A674-A676 VanDerWaalsContact C-N 3.31Å; A674-A676 PolarHBondContact O-N 3.03Å; A674-G677 PolarHBondContact O-N 3.16Å; A674-G677 VanDerWaalsContact O-N 3.16Å; A674-K691 WeakPolarHBondContact O-CD 3.29Å; A674-K691 VanDerWaalsContact O-CE 3.31Å; A674-K691 WeakPolarHBondContact O-CE 3.41Å; A674-K691 PolarHBondContact O-NZ 3.5Å
675	P	89.8	Confident	80.3	Confident	9 Å²	9	68.6 Å²	68.6	6%	0.058	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-36.8	-175.5	23.6	-31.5	0	0	0	112.1	E388 Y673 K691	E388-P675 WeakPolarHBondContact OE1-CB 3.38Å; Y673-P675 HydrophobicContact CD1-CG 4.3Å; Y673-P675 HydrophobicContact CE1-CB 3.93Å; Y673-P675 HydrophobicContact CE1-CG 3.84Å; P675-K691 VanDerWaalsContact O-CD 3.32Å; P675-K691 WeakPolarHBondContact O-CD 3.49Å
676	A	91.4	Very high	82.4	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.3	175.1	0	0	0	0	0	113.6	P514 W654 A674 T695 Q697	P514-A676 HydrophobicContact CB-CB 4.38Å; P514-A676 HydrophobicContact CG-CB 4.31Å; W654-A676 HydrophobicContact CB-CB 4.42Å; A674-A676 VanDerWaalsContact C-N 3.31Å; A674-A676 PolarHBondContact O-N 3.03Å; A676-T695 WeakPolarHBondContact CB-O 3.45Å; A676-Q697 HydrophobicContact CB-CG 4.43Å; A676-Q697 VanDerWaalsContact O-CG 3.26Å; A676-Q697 WeakPolarHBondContact O-CG 3.38Å; A676-Q697 PolarHBondContact O-NE2 2.91Å
677	G	93.4	Very high	84.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-76.6	173.9	-176.5	0	0	0	0	0	114	A674 K691	A674-G677 PolarHBondContact O-N 3.16Å; A674-G677 VanDerWaalsContact O-N 3.16Å; G677-K691 WeakPolarHBondContact O-CB 3.4Å; G677-K691 VanDerWaalsContact O-CG 3.25Å; G677-K691 WeakPolarHBondContact O-CG 3.41Å; G677-K691 PolarHBondContact O-N 3.09Å
678	P	94	Very high	86.6	Confident	23 Å²	23	58.1 Å²	58.1	15%	0.149	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-67.5	152.5	166.4	31.1	-34.8	0	0	0	111.3	W654 K680 T682 I688 S689 W690	W654-P678 HydrophobicContact CZ2-CG 4.23Å; P678-K680 WeakPolarHBondContact CB-O 3.17Å; P678-K680 PolarHBondContact O-N 2.96Å; P678-T682 HydrophobicContact CB-CG2 4.15Å; P678-T682 HydrophobicContact CG-CG2 4.16Å; P678-I688 HydrophobicContact CB-CG2 3.93Å; P678-S689 CarbonylContact C-O 3.38Å; P678-S689 WeakPolarHBondContact CA-O 3.42Å; P678-W690 HydrophobicContact CB-CE3 4.31Å; P678-W690 HydrophobicContact CB-CZ3 4.42Å
679	N	89.2	Confident	88.3	Confident	70 Å²	70	55.9 Å²	55.9	37%	0.374	30%	0.295	S	S	.	.	S	Bend	trans	-65	-27.4	177.2	-78.5	-36.4	0	0	0	113.1	S689 W690 K691	N679-S689 PolarHBondContact N-O 3.16Å; N679-S689 PolarHBondContact ND2-OG 2.9Å; N679-W690 PolarHBondContact ND2-O 2.91Å; N679-K691 WeakPolarHBondContact OD1-CG 3.47Å
680	K	84.5	Confident	89.8	Confident	140 Å²	140	52.1 Å²	52.1	61%	0.609	28%	0.277	S	S	*	.	S	Bend	trans	-147.8	166.3	179.3	62.3	176.5	-177.3	172.7	0	109.9	P678 T682	P678-K680 WeakPolarHBondContact CB-O 3.17Å; P678-K680 PolarHBondContact O-N 2.96Å; K680-T682 PolarHBondContact O-N 3.3Å
681	I	78.8	Confident	90.6	Very high	158 Å²	158	49.3 Å²	49.3	81%	0.81	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-54.1	131.5	173.9	-61.9	172.4	0	0	0	109.3
682	T	81.1	Confident	91	Very high	22 Å²	22	46.8 Å²	46.8	14%	0.135	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-75.4	128.8	180	52.5	0	0	0	0	110.9	I550 P678 K680 I688	I550-T682 HydrophobicContact CD1-CG2 4.02Å; P678-T682 HydrophobicContact CB-CG2 4.15Å; P678-T682 HydrophobicContact CG-CG2 4.16Å; K680-T682 PolarHBondContact O-N 3.3Å; T682-I688 HydrophobicContact CG2-CB 4.45Å; T682-I688 HydrophobicContact CG2-CD1 4.47Å; T682-I688 HydrophobicContact CG2-CG1 4.04Å; T682-I688 HydrophobicContact CG2-CG2 3.75Å
683	T	89.2	Confident	91	Very high	71 Å²	71	46.5 Å²	46.5	44%	0.436	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-93.2	136.9	169.7	-38.6	0	0	0	0	109.5	N685 E686	T683-N685 PolarHBondContact O-N 3.24Å; T683-E686 VanDerWaalsContact CB-CD 3.45Å; T683-E686 WeakPolarHBondContact CB-OE2 3.46Å; T683-E686 HydrophobicContact CG2-CG 4.2Å; T683-E686 PolarHBondContact O-N 3.18Å; T683-E686 PolarHBondContact OG1-OE2 3.08Å
684	L	94.1	Very high	90.7	Very high	67 Å²	67	46.6 Å²	46.6	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.7	174.3	-176	65.6	0	0	0	111.5	R604 S605 E686	R604-L684 VanDerWaalsContact C-CD1 3.48Å; S605-L684 VanDerWaalsContact CA-CD1 3.44Å; L684-E686 PolarHBondContact O-N 3.01Å
685	N	95.3	Very high	90.5	Very high	79 Å²	79	47.4 Å²	47.4	42%	0.422	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	10.3	-178.5	-59	-47.1	0	0	0	116.2	T602 A603 R604 S644 T683	T602-N685 WeakPolarHBondContact CG2-O 3.28Å; A603-N685 WeakPolarHBondContact O-CA 3.32Å; A603-N685 PolarHBondContact O-N 3.29Å; R604-N685 PolarHBondContact NH1-OD1 2.91Å; S644-N685 WeakPolarHBondContact CB-OD1 3.34Å; S644-N685 PolarHBondContact OG-OD1 3.41Å; T683-N685 PolarHBondContact O-N 3.24Å
686	E	95	Very high	90.7	Very high	87 Å²	87	50.4 Å²	50.4	41%	0.407	27%	0.267	S	S	.	.	S	Bend	trans	-102.7	157.4	171.6	-65.3	-173.6	171.8	0	0	111.6	A603 T683 L684	A603-E686 PolarHBondContact N-O 3.41Å; T683-E686 VanDerWaalsContact CB-CD 3.45Å; T683-E686 WeakPolarHBondContact CB-OE2 3.46Å; T683-E686 HydrophobicContact CG2-CG 4.2Å; T683-E686 PolarHBondContact O-N 3.18Å; T683-E686 PolarHBondContact OG1-OE2 3.08Å; L684-E686 PolarHBondContact O-N 3.01Å
687	P	94.2	Very high	90.9	Very high	100 Å²	100	50.5 Å²	50.5	65%	0.649	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-59.9	136.9	169.6	-23.1	34.3	0	0	0	112.2	N601	N601-P687 WeakPolarHBondContact O-CA 3.39Å
688	I	95	Very high	91	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.067	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-84.9	122.5	175.9	-53.6	166.9	0	0	0	108.7	I550 V552 N601 A603 P678 T682 W690	I550-I688 HydrophobicContact CD1-CD1 3.98Å; I550-I688 HydrophobicContact CG2-CD1 4.15Å; V552-I688 HydrophobicContact CG2-CD1 3.93Å; N601-I688 VanDerWaalsContact OD1-CB 3.26Å; N601-I688 WeakPolarHBondContact OD1-CB 3.21Å; N601-I688 PolarHBondContact OD1-N 3.42Å; A603-I688 HydrophobicContact CB-CD1 3.94Å; A603-I688 HydrophobicContact CB-CG1 3.77Å; P678-I688 HydrophobicContact CB-CG2 3.93Å; T682-I688 HydrophobicContact CG2-CB 4.45Å; T682-I688 HydrophobicContact CG2-CD1 4.47Å; T682-I688 HydrophobicContact CG2-CG1 4.04Å; T682-I688 HydrophobicContact CG2-CG2 3.75Å; I688-W690 HydrophobicContact CB-CD2 4.49Å; I688-W690 HydrophobicContact CB-CZ2 4.05Å; I688-W690 HydrophobicContact CD1-CH2 4.35Å; I688-W690 HydrophobicContact CD1-CZ2 3.57Å; I688-W690 HydrophobicContact CG1-CZ2 4.4Å; I688-W690 HydrophobicContact CG2-CD2 3.67Å; I688-W690 HydrophobicContact CG2-CE3 4.16Å; I688-W690 HydrophobicContact CG2-CG 4.15Å; I688-W690 HydrophobicContact CG2-CH2 4.07Å; I688-W690 HydrophobicContact CG2-CZ2 3.57Å; I688-W690 HydrophobicContact CG2-CZ3 4.34Å; I688-W690 PolarHBondContact O-N 3.37Å
689	S	92.5	Very high	91.2	Very high	43 Å²	43	49.5 Å²	49.5	30%	0.301	26%	0.261	S	S	.	.			trans	-85.5	95.5	171.4	-175.4	0	0	0	0	109.1	P678 N679	P678-S689 CarbonylContact C-O 3.38Å; P678-S689 WeakPolarHBondContact CA-O 3.42Å; N679-S689 PolarHBondContact N-O 3.16Å; N679-S689 PolarHBondContact ND2-OG 2.9Å
690	W	94	Very high	91.5	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-77.1	147.5	176.1	-60.4	104.6	0	0	0	111.8	R233 I550 L596 W597 N601 A652 W654 P678 N679 I688 Q697	R233-W690 PolarHBondContact NH1-O 3.49Å; I550-W690 HydrophobicContact CG2-CH2 4.27Å; L596-W690 HydrophobicContact CB-CB 4.37Å; L596-W690 VanDerWaalsContact CB-CD1 3.43Å; L596-W690 HydrophobicContact CB-CD2 3.95Å; L596-W690 HydrophobicContact CB-CG 3.68Å; L596-W690 HydrophobicContact CD1-CD2 4.24Å; L596-W690 HydrophobicContact CD1-CH2 4.25Å; L596-W690 HydrophobicContact CD1-CZ2 3.71Å; W597-W690 HydrophobicContact CB-CB 4.08Å; N601-W690 PolarHBondContact ND2-NE1 3.19Å; N601-W690 VanDerWaalsContact ND2-NE1 3.2Å; A652-W690 HydrophobicContact CB-CH2 3.68Å; A652-W690 HydrophobicContact CB-CZ2 3.64Å; W654-W690 HydrophobicContact CD2-CZ3 4.34Å; W654-W690 AromaticContact CE3-CH2 3.96Å; W654-W690 HydrophobicContact CE3-CH2 3.96Å; W654-W690 AromaticContact CE3-CZ3 3.93Å; W654-W690 HydrophobicContact CE3-CZ3 3.93Å; W654-W690 HydrophobicContact CZ3-CH2 4.04Å; W654-W690 HydrophobicContact CZ3-CZ3 4.34Å; P678-W690 HydrophobicContact CB-CE3 4.31Å; P678-W690 HydrophobicContact CB-CZ3 4.42Å; N679-W690 PolarHBondContact ND2-O 2.91Å; I688-W690 HydrophobicContact CB-CD2 4.49Å; I688-W690 HydrophobicContact CB-CZ2 4.05Å; I688-W690 HydrophobicContact CD1-CH2 4.35Å; I688-W690 HydrophobicContact CD1-CZ2 3.57Å; I688-W690 HydrophobicContact CG1-CZ2 4.4Å; I688-W690 HydrophobicContact CG2-CD2 3.67Å; I688-W690 HydrophobicContact CG2-CE3 4.16Å; I688-W690 HydrophobicContact CG2-CG 4.15Å; I688-W690 HydrophobicContact CG2-CH2 4.07Å; I688-W690 HydrophobicContact CG2-CZ2 3.57Å; I688-W690 HydrophobicContact CG2-CZ3 4.34Å; I688-W690 PolarHBondContact O-N 3.37Å; W690-Q697 HydrophobicContact CE3-CG 3.95Å; W690-Q697 HydrophobicContact CZ3-CG 4.09Å
691	K	92.5	Very high	91.9	Very high	31 Å²	31	40.7 Å²	40.7	14%	0.135	22%	0.22	C	C	.	.			trans	-61.3	138.9	166.8	-76.8	177.9	-175	-166	0	109.9	D393 A674 P675 G677 N679	D393-K691 VanDerWaalsContact OD2-CE 3.27Å; D393-K691 WeakPolarHBondContact OD2-CE 3.38Å; D393-K691 IonicContact OD2-NZ 3.01Å; D393-K691 PolarHBondContact OD2-NZ 3.35Å; A674-K691 WeakPolarHBondContact O-CD 3.29Å; A674-K691 VanDerWaalsContact O-CE 3.31Å; A674-K691 WeakPolarHBondContact O-CE 3.41Å; A674-K691 PolarHBondContact O-NZ 3.5Å; P675-K691 VanDerWaalsContact O-CD 3.32Å; P675-K691 WeakPolarHBondContact O-CD 3.49Å; G677-K691 WeakPolarHBondContact O-CB 3.4Å; G677-K691 VanDerWaalsContact O-CG 3.25Å; G677-K691 WeakPolarHBondContact O-CG 3.41Å; G677-K691 PolarHBondContact O-N 3.09Å; N679-K691 WeakPolarHBondContact OD1-CG 3.47Å
692	S	91.7	Very high	92.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.021	18%	0.183	C	C	.	.			trans	-109.8	16.4	-175.2	32.6	0	0	0	0	114.1	F175 D232 R233 W597	F175-S692 WeakPolarHBondContact CE2-O 3.23Å; D232-S692 PolarHBondContact OD1-OG 2.83Å; D232-S692 PolarHBondContact OD2-OG 3.28Å; R233-S692 VanDerWaalsContact CD-CB 3.5Å; R233-S692 VanDerWaalsContact CD-OG 3.3Å; R233-S692 WeakPolarHBondContact CD-OG 3.12Å; R233-S692 WeakPolarHBondContact CG-OG 3.35Å; R233-S692 PolarHBondContact NH1-OG 3.39Å; W597-S692 VanDerWaalsContact CG-CB 3.48Å
693	R	90.1	Very high	92.7	Very high	45 Å²	45	35 Å²	35	17%	0.17	19%	0.192	C	C	.	.	S	Bend	trans	-136.7	136.1	-179.5	-49.3	-173.8	-174.5	-159.1	-2.6	108.5	F175 S387	F175-R693 HydrophobicContact CE2-CG 4.42Å; S387-R693 WeakPolarHBondContact O-CD 3.21Å; S387-R693 WeakPolarHBondContact OG-CG 3.35Å
694	G	86.9	Confident	92.2	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	18%	0.184	C	C	.	.	S	Bend	trans	91.7	-153.7	-179.6	0	0	0	0	0	114.4	T384	T384-G694 WeakPolarHBondContact CB-O 3.47Å; T384-G694 PolarHBondContact O-N 3.2Å; T384-G694 VanDerWaalsContact O-N 3.12Å
695	T	88.1	Confident	91.6	Very high	27 Å²	27	36.6 Å²	36.6	17%	0.166	20%	0.197	C	C	.	.	S	Bend	trans	-62.4	144.3	-172	-45.3	0	0	0	0	112.9	A676	A676-T695 WeakPolarHBondContact CB-O 3.45Å
696	Q	93.4	Very high	91.1	Very high	72 Å²	72	34.2 Å²	34.2	34%	0.336	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-71.2	159.5	175.1	-66.5	177.3	-9.9	0	0	111.5	P514 P593 P595	P514-Q696 WeakPolarHBondContact CG-O 3.45Å; P593-Q696 HydrophobicContact CB-CB 4.17Å; P595-Q696 HydrophobicContact CB-CG 4.28Å
697	Q	96	Very high	90.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	152.3	175.9	-65.9	73.1	36.6	0	0	110.4	P593 H594 L596 A676 W690	P593-Q697 CarbonylContact C-O 3.51Å; P593-Q697 WeakPolarHBondContact CA-O 2.85Å; H594-Q697 PolarHBondContact N-O 3.44Å; H594-Q697 PolarHBondContact O-N 3.38Å; H594-Q697 PolarHBondContact O-OE1 3.45Å; H594-Q697 VanDerWaalsContact O-OE1 3.07Å; L596-Q697 HydrophobicContact CD1-CB 3.71Å; L596-Q697 HydrophobicContact CD1-CG 4.05Å; L596-Q697 HydrophobicContact CG-CB 3.93Å; L596-Q697 HydrophobicContact CG-CG 4.31Å; A676-Q697 HydrophobicContact CB-CG 4.43Å; A676-Q697 VanDerWaalsContact O-CG 3.26Å; A676-Q697 WeakPolarHBondContact O-CG 3.38Å; A676-Q697 PolarHBondContact O-NE2 2.91Å; W690-Q697 HydrophobicContact CE3-CG 3.95Å; W690-Q697 HydrophobicContact CZ3-CG 4.09Å
698	G	96.3	Very high	89.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.7	167.8	0	0	0	0	0	110.5	I591 E592 A652 L653	I591-G698 VanDerWaalsContact CG2-CA 3.45Å; E592-G698 CarbonylContact O-C 3.58Å; A652-G698 CarbonylContact C-O 3.49Å; L653-G698 WeakPolarHBondContact CB-O 3.42Å; L653-G698 PolarHBondContact N-O 3.36Å; L653-G698 PolarHBondContact O-N 3Å
699	V	96.6	Very high	88.3	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129	179.3	-172.9	0	0	0	0	109.9	F554 L557 I591 E592 H594 L596 I651 L701	F554-V699 HydrophobicContact CE2-CG1 3.73Å; F554-V699 HydrophobicContact CZ-CG1 3.89Å; L557-V699 HydrophobicContact CD2-CG1 4.1Å; L557-V699 HydrophobicContact CD2-CG2 4.32Å; I591-V699 WeakPolarHBondContact CA-O 3.38Å; E592-V699 PolarHBondContact N-O 3.15Å; E592-V699 PolarHBondContact O-N 3.11Å; H594-V699 HydrophobicContact CB-CG2 3.9Å; L596-V699 HydrophobicContact CD1-CG2 4.15Å; L596-V699 HydrophobicContact CD2-CG2 3.65Å; L596-V699 HydrophobicContact CG-CG2 4.11Å; I651-V699 WeakPolarHBondContact O-CA 3.38Å; V699-L701 HydrophobicContact CG1-CD2 3.75Å; V699-L701 HydrophobicContact CG1-CG 3.99Å
700	F	95.4	Very high	87.4	Confident	11 Å²	11	37.2 Å²	37.2	5%	0.048	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110	164.2	173	-114.6	0	0	0	108.5	L590 I591 G650 I651 F702 P703 W706 F735	L590-F700 HydrophobicContact CD1-CD2 3.68Å; L590-F700 HydrophobicContact CD1-CE2 3.34Å; L590-F700 HydrophobicContact CD1-CZ 4.38Å; L590-F700 HydrophobicContact CG-CD2 3.89Å; L590-F700 HydrophobicContact CG-CE2 4.06Å; L590-F700 WeakPolarHBondContact O-CD2 3.49Å; I591-F700 HydrophobicContact CD1-CB 3.72Å; G650-F700 CarbonylContact C-O 3.57Å; G650-F700 WeakPolarHBondContact CA-O 3.41Å; I651-F700 HydrophobicContact CB-CB 4.22Å; I651-F700 HydrophobicContact CB-CD1 4.49Å; I651-F700 HydrophobicContact CD1-CD1 3.83Å; I651-F700 HydrophobicContact CD1-CE1 4.48Å; I651-F700 HydrophobicContact CG1-CD1 3.95Å; I651-F700 PolarHBondContact N-O 2.85Å; I651-F700 PolarHBondContact O-N 3.31Å; F700-F702 AromaticContact CD1-CD1 3.95Å; F700-F702 HydrophobicContact CD1-CD1 3.95Å; F700-F702 HydrophobicContact CD1-CE1 4.09Å; F700-F702 AromaticContact CE1-CD1 3.72Å; F700-F702 HydrophobicContact CE1-CD1 3.72Å; F700-F702 HydrophobicContact CE1-CE1 4.04Å; F700-P703 HydrophobicContact CZ-CG 4.29Å; F700-W706 HydrophobicContact CE1-CE3 4.32Å; F700-W706 AromaticContact CE1-CH2 3.84Å; F700-W706 HydrophobicContact CE1-CH2 3.84Å; F700-W706 HydrophobicContact CE1-CZ2 4.43Å; F700-W706 AromaticContact CE1-CZ3 3.78Å; F700-W706 HydrophobicContact CE1-CZ3 3.78Å; F700-W706 HydrophobicContact CZ-CH2 4.2Å; F700-W706 HydrophobicContact CZ-CZ2 4.34Å; F700-W706 HydrophobicContact CZ-CZ3 4.42Å; F700-F735 HydrophobicContact CB-CD2 4.19Å; F700-F735 HydrophobicContact CB-CE2 3.79Å; F700-F735 AromaticContact CD1-CD2 3.62Å; F700-F735 HydrophobicContact CD1-CD2 3.62Å; F700-F735 HydrophobicContact CD1-CE2 4.08Å; F700-F735 HydrophobicContact CD1-CG 4.22Å; F700-F735 HydrophobicContact CD2-CD2 4.2Å; F700-F735 HydrophobicContact CD2-CE2 4.44Å; F700-F735 HydrophobicContact CE1-CB 4.22Å; F700-F735 AromaticContact CE1-CD2 3.98Å; F700-F735 HydrophobicContact CE1-CD2 3.98Å; F700-F735 HydrophobicContact CE1-CG 4.38Å; F700-F735 AromaticContact CG-CD2 3.72Å; F700-F735 HydrophobicContact CG-CD2 3.72Å; F700-F735 AromaticContact CG-CE2 3.84Å; F700-F735 HydrophobicContact CG-CE2 3.84Å; F700-F735 HydrophobicContact CZ-CD2 4.42Å
701	L	93.2	Very high	86	Confident	14 Å²	14	42 Å²	42	7%	0.073	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.4	173.9	-66	177	0	0	0	110	F554 L557 W558 I560 R561 V699 P703	F554-L701 HydrophobicContact CD2-CD2 3.97Å; F554-L701 HydrophobicContact CE2-CD2 4.18Å; L557-L701 HydrophobicContact CD2-CD2 4.49Å; L557-L701 HydrophobicContact CG-CD1 4.47Å; L557-L701 HydrophobicContact CG-CD2 4.28Å; W558-L701 HydrophobicContact CB-CD2 4.13Å; I560-L701 HydrophobicContact CD1-CD1 3.98Å; I560-L701 HydrophobicContact CG1-CD1 3.89Å; R561-L701 HydrophobicContact CB-CB 4.49Å; R561-L701 HydrophobicContact CB-CD1 4.14Å; R561-L701 HydrophobicContact CG-CB 4.43Å; R561-L701 HydrophobicContact CG-CD1 3.66Å; V699-L701 HydrophobicContact CG1-CD2 3.75Å; V699-L701 HydrophobicContact CG1-CG 3.99Å; L701-P703 WeakPolarHBondContact O-CD 3.36Å
702	F	91.7	Very high	84.5	Confident	10 Å²	10	43.6 Å²	43.6	4%	0.044	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-67.4	127.2	-175.6	-71.8	-7	0	0	0	112	L551 V648 N649 I651 F700 W706 I710 L716 I718	L551-F702 HydrophobicContact CD2-CZ 4.3Å; V648-F702 HydrophobicContact CB-CE2 4.35Å; V648-F702 HydrophobicContact CG1-CE2 4Å; V648-F702 HydrophobicContact CG2-CE2 3.75Å; V648-F702 HydrophobicContact CG2-CZ 3.92Å; N649-F702 WeakPolarHBondContact O-CB 3.36Å; N649-F702 PolarHBondContact O-N 2.8Å; I651-F702 HydrophobicContact CD1-CE1 4.2Å; I651-F702 HydrophobicContact CG1-CE1 3.73Å; I651-F702 HydrophobicContact CG1-CZ 4.35Å; F700-F702 AromaticContact CD1-CD1 3.95Å; F700-F702 HydrophobicContact CD1-CD1 3.95Å; F700-F702 HydrophobicContact CD1-CE1 4.09Å; F700-F702 AromaticContact CE1-CD1 3.72Å; F700-F702 HydrophobicContact CE1-CD1 3.72Å; F700-F702 HydrophobicContact CE1-CE1 4.04Å; F702-W706 HydrophobicContact CB-CB 4.39Å; F702-W706 AromaticContact CD1-CE3 3.86Å; F702-W706 HydrophobicContact CD1-CE3 3.86Å; F702-W706 HydrophobicContact CD1-CZ3 4.11Å; F702-W706 HydrophobicContact CD2-CE3 4.46Å; F702-W706 HydrophobicContact CE1-CE3 4.04Å; F702-W706 AromaticContact CE1-CZ3 3.94Å; F702-W706 HydrophobicContact CE1-CZ3 3.94Å; F702-W706 HydrophobicContact CG-CE3 4.09Å; F702-W706 HydrophobicContact CZ-CE3 4.45Å; F702-W706 HydrophobicContact CZ-CZ3 4.48Å; F702-I710 HydrophobicContact CD2-CD1 3.72Å; F702-I710 HydrophobicContact CE2-CD1 3.92Å; F702-L716 HydrophobicContact CE2-CD2 3.89Å; F702-L716 HydrophobicContact CZ-CD2 4.34Å; F702-I718 HydrophobicContact CE1-CD1 3.92Å; F702-I718 HydrophobicContact CE2-CD1 4.21Å; F702-I718 HydrophobicContact CZ-CD1 3.39Å
703	P	85.7	Confident	83	Confident	50 Å²	50	51.9 Å²	51.9	33%	0.325	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-58	150.6	171.1	-23.6	33.4	0	0	0	111.5	F700 L701 E705 W706 K707	F700-P703 HydrophobicContact CZ-CG 4.29Å; L701-P703 WeakPolarHBondContact O-CD 3.36Å; P703-E705 PolarHBondContact O-N 3.37Å; P703-E705 VanDerWaalsContact O-N 3.12Å; P703-W706 WeakPolarHBondContact O-CB 3.21Å; P703-W706 PolarHBondContact O-N 3.18Å; P703-K707 PolarHBondContact O-N 2.97Å
704	S	79	Confident	82	Confident	38 Å²	38	56.1 Å²	56.1	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-54.4	-34.9	179.3	-55.9	0	0	0	0	113.6	P563 W706 K707 T708	P563-S704 WeakPolarHBondContact CD-OG 3.39Å; P563-S704 WeakPolarHBondContact CG-OG 3.38Å; S704-W706 VanDerWaalsContact C-N 3.25Å; S704-W706 PolarHBondContact O-N 2.66Å; S704-K707 WeakPolarHBondContact O-CB 3.07Å; S704-K707 PolarHBondContact O-N 3.39Å; S704-T708 PolarHBondContact O-N 2.76Å
705	E	80.5	Confident	81.6	Confident	134 Å²	134	61.7 Å²	61.7	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-58.9	-36.7	175.8	-61.5	161.9	-170.5	0	0	112.1	P703 T708 K709	P703-E705 PolarHBondContact O-N 3.37Å; P703-E705 VanDerWaalsContact O-N 3.12Å; E705-T708 PolarHBondContact O-N 3.18Å; E705-T708 PolarHBondContact O-OG1 3.17Å; E705-K709 PolarHBondContact O-N 3.34Å
706	W	85.6	Confident	81.7	Confident	30 Å²	30	61.1 Å²	61.1	11%	0.114	33%	0.329	C	S	.	.	H	α-helix	trans	-69.4	-38.9	178.1	-75.1	34.4	0	0	0	111	F700 F702 P703 S704 T708 K709 I710 I718 F735 I737	F700-W706 HydrophobicContact CE1-CE3 4.32Å; F700-W706 AromaticContact CE1-CH2 3.84Å; F700-W706 HydrophobicContact CE1-CH2 3.84Å; F700-W706 HydrophobicContact CE1-CZ2 4.43Å; F700-W706 AromaticContact CE1-CZ3 3.78Å; F700-W706 HydrophobicContact CE1-CZ3 3.78Å; F700-W706 HydrophobicContact CZ-CH2 4.2Å; F700-W706 HydrophobicContact CZ-CZ2 4.34Å; F700-W706 HydrophobicContact CZ-CZ3 4.42Å; F702-W706 HydrophobicContact CB-CB 4.39Å; F702-W706 AromaticContact CD1-CE3 3.86Å; F702-W706 HydrophobicContact CD1-CE3 3.86Å; F702-W706 HydrophobicContact CD1-CZ3 4.11Å; F702-W706 HydrophobicContact CD2-CE3 4.46Å; F702-W706 HydrophobicContact CE1-CE3 4.04Å; F702-W706 AromaticContact CE1-CZ3 3.94Å; F702-W706 HydrophobicContact CE1-CZ3 3.94Å; F702-W706 HydrophobicContact CG-CE3 4.09Å; F702-W706 HydrophobicContact CZ-CE3 4.45Å; F702-W706 HydrophobicContact CZ-CZ3 4.48Å; P703-W706 WeakPolarHBondContact O-CB 3.21Å; P703-W706 PolarHBondContact O-N 3.18Å; S704-W706 VanDerWaalsContact C-N 3.25Å; S704-W706 PolarHBondContact O-N 2.66Å; W706-T708 VanDerWaalsContact C-N 3.26Å; W706-T708 PolarHBondContact O-N 3.4Å; W706-K709 WeakPolarHBondContact O-CB 3.29Å; W706-K709 PolarHBondContact O-N 3.15Å; W706-I710 HydrophobicContact CB-CD1 4.38Å; W706-I710 WeakPolarHBondContact O-CD1 3.17Å; W706-I710 VanDerWaalsContact O-CG1 3.22Å; W706-I710 WeakPolarHBondContact O-CG1 2.89Å; W706-I710 PolarHBondContact O-N 2.93Å; W706-I718 HydrophobicContact CE3-CD1 4.49Å; W706-I718 HydrophobicContact CZ3-CD1 3.86Å; W706-I718 HydrophobicContact CZ3-CG1 4.12Å; W706-I718 HydrophobicContact CZ3-CG2 4.49Å; W706-F735 HydrophobicContact CH2-CB 3.8Å; W706-I737 HydrophobicContact CB-CD1 3.95Å; W706-I737 HydrophobicContact CD2-CD1 3.51Å; W706-I737 HydrophobicContact CD2-CG1 3.77Å; W706-I737 HydrophobicContact CE3-CD1 3.75Å; W706-I737 HydrophobicContact CE3-CG1 3.71Å; W706-I737 HydrophobicContact CG-CD1 3.62Å; W706-I737 HydrophobicContact CG-CG1 4.4Å; W706-I737 HydrophobicContact CH2-CG1 4.1Å; W706-I737 HydrophobicContact CZ2-CG1 4.17Å; W706-I737 HydrophobicContact CZ3-CD1 4.43Å; W706-I737 HydrophobicContact CZ3-CG1 3.87Å
707	K	76.3	Confident	81.7	Confident	67 Å²	67	63.7 Å²	63.7	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-57	-39.8	176.4	-68.2	-178.8	178.1	172.2	0	112.2	P703 S704 K709 I710 S711	P703-K707 PolarHBondContact O-N 2.97Å; S704-K707 WeakPolarHBondContact O-CB 3.07Å; S704-K707 PolarHBondContact O-N 3.39Å; K707-K709 VanDerWaalsContact C-N 3.31Å; K707-K709 PolarHBondContact O-N 2.82Å; K707-I710 PolarHBondContact O-N 2.82Å; K707-S711 PolarHBondContact O-N 2.98Å
708	T	73.9	Confident	81.6	Confident	99 Å²	99	63.6 Å²	63.6	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-63.9	-35.8	176.4	67.2	0	0	0	0	112.5	S704 E705 W706 S711	S704-T708 PolarHBondContact O-N 2.76Å; E705-T708 PolarHBondContact O-N 3.18Å; E705-T708 PolarHBondContact O-OG1 3.17Å; W706-T708 VanDerWaalsContact C-N 3.26Å; W706-T708 PolarHBondContact O-N 3.4Å; T708-S711 PolarHBondContact O-OG 2.81Å
709	K	74.7	Confident	81.6	Confident	127 Å²	127	64 Å²	64	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-74.3	-35.7	177.7	-64.9	175.3	-178.2	173.4	0	112.9	E705 W706 K707 S711 S712 I737	E705-K709 PolarHBondContact O-N 3.34Å; W706-K709 WeakPolarHBondContact O-CB 3.29Å; W706-K709 PolarHBondContact O-N 3.15Å; K707-K709 VanDerWaalsContact C-N 3.31Å; K707-K709 PolarHBondContact O-N 2.82Å; K709-S711 PolarHBondContact O-N 3.43Å; K709-S712 PolarHBondContact O-OG 2.94Å; K709-I737 HydrophobicContact CB-CD1 4.34Å; K709-I737 HydrophobicContact CD-CD1 4.29Å
710	I	73.5	Confident	81.6	Confident	12 Å²	12	64 Å²	64	6%	0.062	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-21.3	179.3	-64.8	163.4	0	0	0	112.1	S646 F702 W706 K707 S712 L716	S646-I710 WeakPolarHBondContact O-CG2 3.46Å; F702-I710 HydrophobicContact CD2-CD1 3.72Å; F702-I710 HydrophobicContact CE2-CD1 3.92Å; W706-I710 HydrophobicContact CB-CD1 4.38Å; W706-I710 WeakPolarHBondContact O-CD1 3.17Å; W706-I710 VanDerWaalsContact O-CG1 3.22Å; W706-I710 WeakPolarHBondContact O-CG1 2.89Å; W706-I710 PolarHBondContact O-N 2.93Å; K707-I710 PolarHBondContact O-N 2.82Å; I710-S712 PolarHBondContact O-N 3.26Å; I710-L716 HydrophobicContact CD1-CD1 4.45Å; I710-L716 HydrophobicContact CD1-CD2 3.57Å; I710-L716 HydrophobicContact CG1-CD1 3.78Å; I710-L716 HydrophobicContact CG1-CD2 3.66Å; I710-L716 HydrophobicContact CG1-CG 4.19Å
711	S	65.2	Low	81.6	Confident	102 Å²	102	64.5 Å²	64.5	71%	0.713	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.3	179.2	71.5	0	0	0	0	115.3	K707 T708 K709	K707-S711 PolarHBondContact O-N 2.98Å; T708-S711 PolarHBondContact O-OG 2.81Å; K709-S711 PolarHBondContact O-N 3.43Å
712	S	61.2	Low	81.6	Confident	65 Å²	65	63.8 Å²	63.8	46%	0.455	34%	0.339	S	S	.	.	S	Bend	trans	-79	150.4	171.9	58.5	0	0	0	0	111.6	K709 I710 D714	K709-S712 PolarHBondContact O-OG 2.94Å; I710-S712 PolarHBondContact O-N 3.26Å; S712-D714 PolarHBondContact O-N 3.05Å
713	N	59	Low	81.5	Confident	178 Å²	178	67.5 Å²	67.5	95%	0.952	36%	0.359	S	S	*	.	S	Bend	trans	-67.1	5.6	-177.8	-87.3	-20	0	0	0	114.8
714	D	69.7	Low	81.6	Confident	133 Å²	133	66 Å²	66	71%	0.711	35%	0.348	S	S	*	.	S	Bend	trans	-87.8	145.2	179.8	-71.2	-31.9	0	0	0	111.4	S712 L716	S712-D714 PolarHBondContact O-N 3.05Å; D714-L716 PolarHBondContact O-N 3.3Å; D714-L716 VanDerWaalsContact O-N 3.16Å
715	L	78.9	Confident	81.8	Confident	123 Å²	123	67.2 Å²	67.2	64%	0.644	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-63.6	117	172.6	-70.6	165.9	0	0	0	109	T642 A643 R717	T642-L715 HydrophobicContact CG2-CB 4.29Å; A643-L715 WeakPolarHBondContact O-CD2 3.37Å; L715-R717 PolarHBondContact O-N 2.83Å
716	L	89.2	Confident	81.7	Confident	16 Å²	16	60.9 Å²	60.9	8%	0.084	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-58.2	124.3	177.7	176.8	65.5	0	0	0	110.4	A643 V648 F702 I710 D714 I718 I737	A643-L716 HydrophobicContact CB-CB 3.88Å; A643-L716 HydrophobicContact CB-CD2 4.47Å; A643-L716 PolarHBondContact N-O 3.28Å; V648-L716 HydrophobicContact CG1-CD2 3.58Å; F702-L716 HydrophobicContact CE2-CD2 3.89Å; F702-L716 HydrophobicContact CZ-CD2 4.34Å; I710-L716 HydrophobicContact CD1-CD1 4.45Å; I710-L716 HydrophobicContact CD1-CD2 3.57Å; I710-L716 HydrophobicContact CG1-CD1 3.78Å; I710-L716 HydrophobicContact CG1-CD2 3.66Å; I710-L716 HydrophobicContact CG1-CG 4.19Å; D714-L716 PolarHBondContact O-N 3.3Å; D714-L716 VanDerWaalsContact O-N 3.16Å; L716-I718 HydrophobicContact CD1-CG1 4.28Å; L716-I718 HydrophobicContact CD2-CD1 3.78Å; L716-I718 HydrophobicContact CD2-CG1 4.34Å; L716-I718 HydrophobicContact CG-CD1 4.1Å; L716-I718 HydrophobicContact CG-CG1 4.12Å; L716-I737 HydrophobicContact CD1-CD1 4.12Å; L716-I737 HydrophobicContact CD1-CG1 4.04Å; L716-I737 HydrophobicContact CD1-CG2 3.88Å
717	R	93.1	Very high	81.2	Confident	126 Å²	126	65.8 Å²	65.8	48%	0.475	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.3	174.3	-67.1	176.3	70.5	-165	-1.1	109.4	T640 L641 T642 L715 I737 L738	T640-R717 HydrophobicContact CG2-CB 4.09Å; L641-R717 CarbonylContact O-C 3.35Å; L641-R717 WeakPolarHBondContact O-CA 3.08Å; T642-R717 HydrophobicContact CG2-CG 3.98Å; L715-R717 PolarHBondContact O-N 2.83Å; R717-I737 WeakPolarHBondContact O-CA 3.49Å; R717-L738 HydrophobicContact CB-CB 4.13Å; R717-L738 HydrophobicContact CB-CD1 4.38Å; R717-L738 PolarHBondContact O-N 2.78Å
718	I	94.7	Very high	81.3	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.3	-179.2	-66.2	163	0	0	0	108.4	L551 T640 L641 I651 F702 W706 L716 F735 K736 I737	L551-I718 HydrophobicContact CD1-CD1 4.48Å; L551-I718 HydrophobicContact CD2-CD1 3.74Å; T640-I718 CarbonylContact C-O 3.56Å; T640-I718 WeakPolarHBondContact CA-O 3.33Å; L641-I718 PolarHBondContact N-O 3.17Å; L641-I718 PolarHBondContact O-N 2.83Å; I651-I718 HydrophobicContact CD1-CG2 4.22Å; F702-I718 HydrophobicContact CE1-CD1 3.92Å; F702-I718 HydrophobicContact CE2-CD1 4.21Å; F702-I718 HydrophobicContact CZ-CD1 3.39Å; W706-I718 HydrophobicContact CE3-CD1 4.49Å; W706-I718 HydrophobicContact CZ3-CD1 3.86Å; W706-I718 HydrophobicContact CZ3-CG1 4.12Å; W706-I718 HydrophobicContact CZ3-CG2 4.49Å; L716-I718 HydrophobicContact CD1-CG1 4.28Å; L716-I718 HydrophobicContact CD2-CD1 3.78Å; L716-I718 HydrophobicContact CD2-CG1 4.34Å; L716-I718 HydrophobicContact CG-CD1 4.1Å; L716-I718 HydrophobicContact CG-CG1 4.12Å; I718-F735 HydrophobicContact CG2-CB 4.12Å; I718-K736 CarbonylContact C-O 3.54Å; I718-K736 WeakPolarHBondContact CA-O 3.4Å; I718-I737 HydrophobicContact CG1-CG1 4.48Å
719	S	96	Very high	81.5	Confident	9 Å²	9	63.2 Å²	63.2	6%	0.063	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.5	163.6	177.4	0	0	0	0	108.7	Q638 N639 F735 K736	Q638-S719 WeakPolarHBondContact CG-OG 3.37Å; Q638-S719 PolarHBondContact NE2-OG 3.42Å; N639-S719 CarbonylContact O-C 3.48Å; N639-S719 WeakPolarHBondContact O-CA 3.24Å; S719-F735 WeakPolarHBondContact O-CA 3.26Å; S719-K736 PolarHBondContact N-O 3.39Å; S719-K736 PolarHBondContact O-N 3.42Å
720	A	96.5	Very high	82	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.9	178.3	0	0	0	0	0	109.9	I610 N639 L641 F735	I610-A720 HydrophobicContact CG2-CB 3.7Å; N639-A720 PolarHBondContact N-O 3.23Å; N639-A720 PolarHBondContact O-N 3.12Å; L641-A720 HydrophobicContact CD1-CB 4.05Å; A720-F735 HydrophobicContact CB-CD1 3.67Å; A720-F735 HydrophobicContact CB-CE1 3.79Å
721	C	95.1	Very high	82.7	Confident	21 Å²	21	60.9 Å²	60.9	14%	0.142	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	167.8	170.1	60.7	0	0	0	0	109.2	Q638 S734	Q638-C721 HydrophobicContact CB-CB 4.32Å; Q638-C721 HydrophobicContact CG-CB 4.49Å; C721-S734 PolarHBondContact N-O 3.23Å; C721-S734 VanDerWaalsContact N-O 3.09Å; C721-S734 PolarHBondContact O-N 3.32Å
722	M	93.3	Very high	83.8	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.1	172.2	175.5	179.9	-75.1	0	0	108.4	W515 I547 I610 F611 C636 L731 S732 P733	W515-M722 HydrophobicContact CD2-CE 4.43Å; W515-M722 HydrophobicContact CE3-CE 4.39Å; W515-M722 HydrophobicContact CH2-CE 3.62Å; W515-M722 HydrophobicContact CZ2-CE 3.63Å; W515-M722 HydrophobicContact CZ3-CE 4.01Å; I547-M722 HydrophobicContact CD1-CE 4.42Å; I547-M722 HydrophobicContact CD1-SD 3.35Å; I547-M722 WeakPolarHBondContact CD1-SD 3.49Å; I547-M722 HydrophobicContact CG2-CE 4.21Å; I547-M722 HydrophobicContact CG2-SD 4.27Å; I610-M722 HydrophobicContact CD1-CB 4.08Å; I610-M722 HydrophobicContact CD1-CE 4.32Å; F611-M722 HydrophobicContact CB-CB 4.1Å; F611-M722 HydrophobicContact CB-SD 4.46Å; F611-M722 WeakPolarHBondContact CD2-O 3.25Å; C636-M722 PolarHBondContact SG-O 3.17Å; C636-M722 VanDerWaalsContact SG-O 3.37Å; M722-L731 HydrophobicContact CG-CB 4.18Å; M722-L731 HydrophobicContact CG-CD2 3.89Å; M722-L731 HydrophobicContact SD-CB 3.86Å; M722-L731 HydrophobicContact SD-CD1 4.39Å; M722-L731 HydrophobicContact SD-CD2 3.82Å; M722-L731 HydrophobicContact SD-CG 4.23Å; M722-S732 WeakPolarHBondContact CA-O 3.29Å; M722-P733 HydrophobicContact CE-CB 3.78Å; M722-P733 HydrophobicContact CE-CG 4.04Å
723	D	90.1	Very high	85.3	Confident	87 Å²	87	57 Å²	57	47%	0.465	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	152.6	177.7	-71.5	-30.1	0	0	0	109.9	C636 L731 S732	C636-D723 PolarHBondContact SG-OD1 3Å; C636-D723 VanDerWaalsContact SG-OD1 3.38Å; D723-L731 CarbonylContact O-C 3.56Å; D723-L731 WeakPolarHBondContact O-CA 3.33Å; D723-S732 PolarHBondContact N-O 2.65Å; D723-S732 PolarHBondContact O-N 3.01Å
724	F	88	Confident	87	Confident	20 Å²	20	51.3 Å²	51.3	9%	0.088	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.5	179.4	179.1	-126.3	0	0	0	110.1	L518 W521 Y522 F611 M613 I634 I726 G729 L731	L518-F724 HydrophobicContact CD1-CE2 4.2Å; L518-F724 HydrophobicContact CD1-CZ 4.45Å; W521-F724 HydrophobicContact CE3-CZ 4.36Å; W521-F724 HydrophobicContact CH2-CE1 4.19Å; W521-F724 HydrophobicContact CH2-CZ 4.39Å; W521-F724 HydrophobicContact CZ3-CE1 4.1Å; W521-F724 AromaticContact CZ3-CZ 3.85Å; W521-F724 HydrophobicContact CZ3-CZ 3.85Å; Y522-F724 VanDerWaalsContact OH-CE2 3.3Å; Y522-F724 WeakPolarHBondContact OH-CE2 3.39Å; Y522-F724 WeakPolarHBondContact OH-CZ 3.49Å; F611-F724 HydrophobicContact CE2-CB 3.58Å; F611-F724 HydrophobicContact CE2-CG 4.44Å; F611-F724 HydrophobicContact CZ-CB 3.81Å; F611-F724 HydrophobicContact CZ-CD1 4.47Å; F611-F724 HydrophobicContact CZ-CG 4.18Å; M613-F724 HydrophobicContact CE-CE1 3.91Å; M613-F724 HydrophobicContact CE-CZ 4.49Å; M613-F724 HydrophobicContact SD-CE1 4.18Å; I634-F724 HydrophobicContact CD1-CD1 3.41Å; I634-F724 VanDerWaalsContact CD1-CD1 3.41Å; I634-F724 HydrophobicContact CD1-CE1 3.85Å; I634-F724 HydrophobicContact CG1-CD1 3.91Å; I634-F724 HydrophobicContact CG1-CE1 4.44Å; I634-F724 HydrophobicContact CG2-CB 4.3Å; F724-I726 HydrophobicContact CD1-CG2 3.86Å; F724-I726 HydrophobicContact CE1-CB 4.48Å; F724-I726 HydrophobicContact CE1-CG2 3.77Å; F724-I726 PolarHBondContact O-N 2.93Å; F724-G729 WeakPolarHBondContact CE2-O 3.2Å; F724-L731 HydrophobicContact CB-CD2 3.65Å; F724-L731 HydrophobicContact CD2-CD2 3.71Å; F724-L731 HydrophobicContact CD2-CG 3.73Å; F724-L731 HydrophobicContact CE2-CG 4.41Å; F724-L731 HydrophobicContact CG-CD2 3.99Å; F724-L731 HydrophobicContact CG-CG 4.5Å
725	D	84.3	Confident	88.2	Confident	63 Å²	63	45.9 Å²	45.9	34%	0.337	25%	0.251	S	S	.	.			trans	-86.3	106.4	169.3	-179.6	1.3	0	0	0	109.4	F727 T728 G729 V730	D725-F727 PolarHBondContact O-N 3.28Å; D725-F727 VanDerWaalsContact O-N 3.17Å; D725-F727 PolarHBondContact OD1-N 2.91Å; D725-T728 VanDerWaalsContact CB-OG1 3.27Å; D725-T728 WeakPolarHBondContact CB-OG1 3.41Å; D725-T728 WeakPolarHBondContact OD2-CG2 3.39Å; D725-T728 PolarHBondContact OD2-OG1 3.21Å; D725-G729 WeakPolarHBondContact O-CA 3.33Å; D725-G729 PolarHBondContact O-N 3.04Å; D725-V730 PolarHBondContact N-O 3.5Å
726	I	76.8	Confident	88.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.3	179.6	56.6	159.7	0	0	0	113.3	Y627 K631 I634 F724	Y627-I726 HydrophobicContact CE1-CD1 4.13Å; Y627-I726 PolarHBondContact OH-O 3.34Å; K631-I726 HydrophobicContact CD-CD1 4.36Å; K631-I726 HydrophobicContact CG-CD1 3.83Å; K631-I726 HydrophobicContact CG-CG1 4.23Å; K631-I726 HydrophobicContact CG-CG2 4.13Å; I634-I726 HydrophobicContact CD1-CG2 3.53Å; F724-I726 HydrophobicContact CD1-CG2 3.86Å; F724-I726 HydrophobicContact CE1-CB 4.48Å; F724-I726 HydrophobicContact CE1-CG2 3.77Å; F724-I726 PolarHBondContact O-N 2.93Å
727	F	75.5	Confident	88.9	Confident	134 Å²	134	47.8 Å²	47.8	59%	0.588	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-41.2	-173	-63	-73.5	0	0	0	112.6	Y627 D725	Y627-F727 HydrophobicContact CD1-CE1 4.3Å; Y627-F727 AromaticContact CE1-CD1 3.87Å; Y627-F727 HydrophobicContact CE1-CD1 3.87Å; Y627-F727 AromaticContact CE1-CE1 3.87Å; Y627-F727 HydrophobicContact CE1-CE1 3.87Å; D725-F727 PolarHBondContact O-N 3.28Å; D725-F727 VanDerWaalsContact O-N 3.17Å; D725-F727 PolarHBondContact OD1-N 2.91Å
728	T	79.2	Confident	88.8	Confident	91 Å²	91	48.1 Å²	48.1	56%	0.558	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-23	177.7	59.3	0	0	0	0	112.1	D725 V730	D725-T728 VanDerWaalsContact CB-OG1 3.27Å; D725-T728 WeakPolarHBondContact CB-OG1 3.41Å; D725-T728 WeakPolarHBondContact OD2-CG2 3.39Å; D725-T728 PolarHBondContact OD2-OG1 3.21Å; T728-V730 VanDerWaalsContact C-N 3.27Å; T728-V730 PolarHBondContact OG1-N 2.86Å
729	G	78.5	Confident	88.5	Confident	20 Å²	20	50.5 Å²	50.5	21%	0.206	28%	0.278	C	S	.	.			trans	77.5	9.3	-175	0	0	0	0	0	116.3	Y522 F724 D725	Y522-G729 WeakPolarHBondContact OH-CA 3.29Å; F724-G729 WeakPolarHBondContact CE2-O 3.2Å; D725-G729 WeakPolarHBondContact O-CA 3.33Å; D725-G729 PolarHBondContact O-N 3.04Å
730	V	83.8	Confident	88.1	Confident	76 Å²	76	52.7 Å²	52.7	46%	0.461	29%	0.289	S	S	.	.			trans	-77.5	129.7	-178.3	178.3	0	0	0	0	109.8	D725 T728	D725-V730 PolarHBondContact N-O 3.5Å; T728-V730 VanDerWaalsContact C-N 3.27Å; T728-V730 PolarHBondContact OG1-N 2.86Å
731	L	88.4	Confident	87.6	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.4	166.7	-80.9	162.8	0	0	0	108.9	W515 L518 I547 F611 M722 D723 F724 P733	W515-L731 HydrophobicContact CB-CD1 3.52Å; W515-L731 HydrophobicContact CD2-CD1 4.31Å; W515-L731 HydrophobicContact CG-CB 4.45Å; W515-L731 HydrophobicContact CG-CD1 3.41Å; W515-L731 VanDerWaalsContact CG-CD1 3.41Å; L518-L731 HydrophobicContact CD1-CD1 3.94Å; I547-L731 HydrophobicContact CD1-CD1 3.84Å; I547-L731 HydrophobicContact CD1-CD2 4.49Å; F611-L731 HydrophobicContact CD1-CD2 4.27Å; F611-L731 HydrophobicContact CD2-CD2 4.09Å; F611-L731 HydrophobicContact CE1-CD2 3.91Å; F611-L731 HydrophobicContact CE2-CD2 3.7Å; F611-L731 HydrophobicContact CG-CD2 4.36Å; F611-L731 HydrophobicContact CZ-CD2 3.6Å; M722-L731 HydrophobicContact CG-CB 4.18Å; M722-L731 HydrophobicContact CG-CD2 3.89Å; M722-L731 HydrophobicContact SD-CB 3.86Å; M722-L731 HydrophobicContact SD-CD1 4.39Å; M722-L731 HydrophobicContact SD-CD2 3.82Å; M722-L731 HydrophobicContact SD-CG 4.23Å; D723-L731 CarbonylContact O-C 3.56Å; D723-L731 WeakPolarHBondContact O-CA 3.33Å; F724-L731 HydrophobicContact CB-CD2 3.65Å; F724-L731 HydrophobicContact CD2-CD2 3.71Å; F724-L731 HydrophobicContact CD2-CG 3.73Å; F724-L731 HydrophobicContact CE2-CG 4.41Å; F724-L731 HydrophobicContact CG-CD2 3.99Å; F724-L731 HydrophobicContact CG-CG 4.5Å; L731-P733 WeakPolarHBondContact O-CD 3.44Å
732	S	89.4	Confident	87.2	Confident	61 Å²	61	57.6 Å²	57.6	43%	0.427	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105.7	-177.4	-59.5	0	0	0	0	110.4	M722 D723	M722-S732 WeakPolarHBondContact CA-O 3.29Å; D723-S732 PolarHBondContact N-O 2.65Å; D723-S732 PolarHBondContact O-N 3.01Å
733	P	92.2	Very high	86.8	Confident	23 Å²	23	61.3 Å²	61.3	15%	0.149	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	147.7	173.7	18.5	-15.8	0	0	0	111.3	L590 I591 M722 L731 F735	L590-P733 HydrophobicContact CD2-CG 4.21Å; L590-P733 WeakPolarHBondContact CD2-O 3.4Å; I591-P733 HydrophobicContact CD1-CB 4.24Å; I591-P733 HydrophobicContact CD1-CG 3.67Å; I591-P733 HydrophobicContact CG1-CB 4.32Å; I591-P733 HydrophobicContact CG1-CG 3.29Å; M722-P733 HydrophobicContact CE-CB 3.78Å; M722-P733 HydrophobicContact CE-CG 4.04Å; L731-P733 WeakPolarHBondContact O-CD 3.44Å; P733-F735 HydrophobicContact CB-CE2 3.84Å; P733-F735 HydrophobicContact CB-CZ 3.89Å
734	S	93.6	Very high	86.5	Confident	59 Å²	59	59.5 Å²	59.5	41%	0.413	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.7	173	-169.8	0	0	0	0	110.1	C721	C721-S734 PolarHBondContact N-O 3.23Å; C721-S734 VanDerWaalsContact N-O 3.09Å; C721-S734 PolarHBondContact O-N 3.32Å
735	F	94.9	Very high	86.4	Confident	19 Å²	19	62.4 Å²	62.4	8%	0.083	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.9	176.4	-52.3	-66.9	0	0	0	110.6	L590 I591 I610 I651 L653 F700 W706 I718 S719 A720 P733	L590-F735 HydrophobicContact CD2-CD2 4.41Å; I591-F735 HydrophobicContact CD1-CE2 3.75Å; I591-F735 HydrophobicContact CD1-CZ 4.35Å; I610-F735 HydrophobicContact CD1-CE1 4.47Å; I651-F735 HydrophobicContact CD1-CB 4.3Å; I651-F735 HydrophobicContact CD1-CD1 3.45Å; I651-F735 VanDerWaalsContact CD1-CD1 3.45Å; I651-F735 HydrophobicContact CD1-CD2 4.17Å; I651-F735 HydrophobicContact CD1-CE1 3.72Å; I651-F735 HydrophobicContact CD1-CE2 4.38Å; I651-F735 HydrophobicContact CD1-CG 3.71Å; I651-F735 HydrophobicContact CD1-CZ 4.19Å; I651-F735 HydrophobicContact CG2-CE1 4.36Å; I651-F735 HydrophobicContact CG2-CZ 4.49Å; L653-F735 HydrophobicContact CD1-CZ 4Å; L653-F735 HydrophobicContact CD2-CZ 4.05Å; F700-F735 HydrophobicContact CB-CD2 4.19Å; F700-F735 HydrophobicContact CB-CE2 3.79Å; F700-F735 AromaticContact CD1-CD2 3.62Å; F700-F735 HydrophobicContact CD1-CD2 3.62Å; F700-F735 HydrophobicContact CD1-CE2 4.08Å; F700-F735 HydrophobicContact CD1-CG 4.22Å; F700-F735 HydrophobicContact CD2-CD2 4.2Å; F700-F735 HydrophobicContact CD2-CE2 4.44Å; F700-F735 HydrophobicContact CE1-CB 4.22Å; F700-F735 AromaticContact CE1-CD2 3.98Å; F700-F735 HydrophobicContact CE1-CD2 3.98Å; F700-F735 HydrophobicContact CE1-CG 4.38Å; F700-F735 AromaticContact CG-CD2 3.72Å; F700-F735 HydrophobicContact CG-CD2 3.72Å; F700-F735 AromaticContact CG-CE2 3.84Å; F700-F735 HydrophobicContact CG-CE2 3.84Å; F700-F735 HydrophobicContact CZ-CD2 4.42Å; W706-F735 HydrophobicContact CH2-CB 3.8Å; I718-F735 HydrophobicContact CG2-CB 4.12Å; S719-F735 WeakPolarHBondContact O-CA 3.26Å; A720-F735 HydrophobicContact CB-CD1 3.67Å; A720-F735 HydrophobicContact CB-CE1 3.79Å; P733-F735 HydrophobicContact CB-CE2 3.84Å; P733-F735 HydrophobicContact CB-CZ 3.89Å
736	K	92.9	Very high	86.6	Confident	140 Å²	140	62.3 Å²	62.3	61%	0.609	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	127	179.5	-177.1	176.5	176.9	-176.8	0	111.1	I718 S719 L738	I718-K736 CarbonylContact C-O 3.54Å; I718-K736 WeakPolarHBondContact CA-O 3.4Å; S719-K736 PolarHBondContact N-O 3.39Å; S719-K736 PolarHBondContact O-N 3.42Å; K736-L738 PolarHBondContact O-N 2.77Å
737	I	90.6	Very high	87.4	Confident	40 Å²	40	67.5 Å²	67.5	21%	0.205	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	128.1	166.5	-59.9	-179.7	0	0	0	108.6	W706 K709 L716 R717 I718	W706-I737 HydrophobicContact CB-CD1 3.95Å; W706-I737 HydrophobicContact CD2-CD1 3.51Å; W706-I737 HydrophobicContact CD2-CG1 3.77Å; W706-I737 HydrophobicContact CE3-CD1 3.75Å; W706-I737 HydrophobicContact CE3-CG1 3.71Å; W706-I737 HydrophobicContact CG-CD1 3.62Å; W706-I737 HydrophobicContact CG-CG1 4.4Å; W706-I737 HydrophobicContact CH2-CG1 4.1Å; W706-I737 HydrophobicContact CZ2-CG1 4.17Å; W706-I737 HydrophobicContact CZ3-CD1 4.43Å; W706-I737 HydrophobicContact CZ3-CG1 3.87Å; K709-I737 HydrophobicContact CB-CD1 4.34Å; K709-I737 HydrophobicContact CD-CD1 4.29Å; L716-I737 HydrophobicContact CD1-CD1 4.12Å; L716-I737 HydrophobicContact CD1-CG1 4.04Å; L716-I737 HydrophobicContact CD1-CG2 3.88Å; R717-I737 WeakPolarHBondContact O-CA 3.49Å; I718-I737 HydrophobicContact CG1-CG1 4.48Å
738	L	90.2	Very high	88.5	Confident	132 Å²	132	61.5 Å²	61.5	69%	0.691	35%	0.353	S	S	*	.			trans	-88.6	0	-179.5	-68.9	-179.8	0	0	0	113.1	T640 R717 K736	T640-L738 HydrophobicContact CG2-CD1 3.6Å; R717-L738 HydrophobicContact CB-CB 4.13Å; R717-L738 HydrophobicContact CB-CD1 4.38Å; R717-L738 PolarHBondContact O-N 2.78Å; K736-L738 PolarHBondContact O-N 2.77Å

Retrieved 738 of 738 residues in 234.6 ms (Link to these results)

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