A0A077ZBA4_TRITR Loading...

Mitotic checkpoint protein BUB3

AlphaFold DB , UniProt , Accession A0A077ZBA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 755 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	41.9	Very low	236 Å²	236	122 Å²	122	100%	1.163	71%	0.707	S	S	*	*				0	101	0	-75.9	172	168.8	0	0	106.9	T3	M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.46Å
2	A	26.4	Very low	45.5	Very low	102 Å²	102	114.5 Å²	114.5	84%	0.843	66%	0.662	S	S	*	*			trans	-70.4	97.8	171.4	0	0	0	0	0	106.5	E4	A2-E4 PolarHBondContact O-N 2.83Å
3	T	27.5	Very low	48.6	Very low	127 Å²	127	106.2 Å²	106.2	78%	0.779	61%	0.613	S	S	*	*			trans	-61.2	105.8	166.1	46.6	0	0	0	0	106.1	M1	M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.46Å
4	E	28.6	Very low	51.3	Low	170 Å²	170	102.9 Å²	102.9	79%	0.794	59%	0.589	S	S	*	*			trans	-50.4	138.1	169.5	-72.5	-174.2	156.7	0	0	108.6	A2 H6	A2-E4 PolarHBondContact O-N 2.83Å; E4-H6 PolarHBondContact O-N 3.5Å
5	P	29.9	Very low	53.8	Low	110 Å²	110	101.9 Å²	101.9	71%	0.714	58%	0.581	S	S	*	*			trans	-60.6	119.7	-179.1	26.2	-31.8	0	0	0	107.3	I7	P5-I7 WeakPolarHBondContact O-CG1 3.28Å; P5-I7 PolarHBondContact O-N 2.92Å
6	H	34	Very low	55.9	Low	187 Å²	187	95.9 Å²	95.9	87%	0.866	55%	0.546	S	S	*	.			trans	-45	109	166.8	-77.7	-81	0	0	0	107.5	E4 V8	E4-H6 PolarHBondContact O-N 3.5Å; H6-V8 PolarHBondContact O-N 3.17Å
7	I	44.1	Very low	57.6	Low	86 Å²	86	95.5 Å²	95.5	44%	0.441	54%	0.542	S	S	.	.			trans	-63.9	116.3	-172.3	-60.8	176.4	0	0	0	106	P5 A9 H317 R318	P5-I7 WeakPolarHBondContact O-CG1 3.28Å; P5-I7 PolarHBondContact O-N 2.92Å; I7-A9 PolarHBondContact O-N 3.35Å; I7-H317 HydrophobicContact CG2-CB 4.5Å; I7-H317 VanDerWaalsContact CG2-CD2 3.41Å; I7-H317 WeakPolarHBondContact CG2-CD2 3.06Å; I7-R318 WeakPolarHBondContact CD1-O 3.24Å
8	V	44	Very low	59.1	Low	125 Å²	125	96.7 Å²	96.7	76%	0.758	55%	0.547	S	S	*	.			trans	-55.8	106.8	-178.1	177.4	0	0	0	0	107.1	H6 A10	H6-V8 PolarHBondContact O-N 3.17Å; V8-A10 PolarHBondContact O-N 3.27Å
9	A	56.3	Low	60.4	Low	52 Å²	52	93.3 Å²	93.3	43%	0.43	53%	0.532	S	S	.	.			trans	-50.3	120.3	167.6	0	0	0	0	0	106.4	I7	I7-A9 PolarHBondContact O-N 3.35Å
10	A	67.8	Low	61.8	Low	18 Å²	18	89 Å²	89	15%	0.149	51%	0.508	C	S	.	.			trans	-53.2	146.4	177.9	0	0	0	0	0	108.5	V8 N12 E13	V8-A10 PolarHBondContact O-N 3.27Å; A10-N12 WeakPolarHBondContact CB-OD1 3.21Å; A10-N12 PolarHBondContact O-N 2.93Å; A10-E13 HydrophobicContact CB-CB 4.38Å; A10-E13 WeakPolarHBondContact O-CB 3.33Å; A10-E13 PolarHBondContact O-N 3.28Å
11	P	71.4	Confident	63	Low	129 Å²	129	89.4 Å²	89.4	84%	0.838	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.1	-171.5	23.1	-34.1	0	0	0	114
12	N	84.9	Confident	65.8	Low	32 Å²	32	82 Å²	82	17%	0.171	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	14.4	176.4	62.6	-31.5	0	0	0	113.9	A10 R361 K362	A10-N12 WeakPolarHBondContact CB-OD1 3.21Å; A10-N12 PolarHBondContact O-N 2.93Å; N12-R361 PolarHBondContact ND2-NH2 2.86Å; N12-R361 VanDerWaalsContact ND2-NH2 3.19Å; N12-R361 PolarHBondContact OD1-NH1 2.75Å; N12-R361 VanDerWaalsContact OD1-NH1 3.16Å; N12-R361 PolarHBondContact OD1-NH2 3.46Å; N12-K362 HydrophobicContact CB-CB 4.35Å; N12-K362 PolarHBondContact ND2-O 3.3Å; N12-K362 PolarHBondContact O-N 2.87Å
13	E	86.1	Confident	68.7	Low	6 Å²	6	77.6 Å²	77.6	3%	0.028	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139	-177.1	-172.2	178.4	105.5	0	0	111.4	A10 H317 Y319 Y359 V360 R361	A10-E13 HydrophobicContact CB-CB 4.38Å; A10-E13 WeakPolarHBondContact O-CB 3.33Å; A10-E13 PolarHBondContact O-N 3.28Å; E13-H317 IonicContact OE1-CE1 2.71Å; E13-H317 PolarHBondContact OE1-CE1 3.4Å; E13-H317 IonicContact OE1-NE2 3.16Å; E13-H317 IonicContact OE2-CE1 2.71Å; E13-H317 PolarHBondContact OE2-CE1 2.8Å; E13-Y319 WeakPolarHBondContact OE1-CE1 3.48Å; E13-Y319 PolarHBondContact OE2-OH 2.94Å; E13-Y359 HydrophobicContact CG-CD1 4.27Å; E13-Y359 WeakPolarHBondContact OE1-CD1 3.49Å; E13-V360 WeakPolarHBondContact CA-O 3.23Å; E13-R361 HydrophobicContact CB-CB 4.34Å; E13-R361 HydrophobicContact CB-CG 4.33Å; E13-R361 HydrophobicContact CG-CB 4.1Å; E13-R361 IonicContact OE2-NH1 2.96Å
14	H	86.7	Confident	71.8	Confident	60 Å²	60	71.5 Å²	71.5	28%	0.278	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.4	-177.3	-50.6	-59	0	0	0	110.5	S54 V360	H14-S54 PolarHBondContact CD2-O 3.39Å; H14-S54 PolarHBondContact CE1-O 3.11Å; H14-S54 PolarHBondContact ND1-O 3.36Å; H14-S54 PolarHBondContact NE2-O 2.99Å; H14-V360 PolarHBondContact N-O 2.61Å; H14-V360 PolarHBondContact O-N 3.19Å
15	L	88.6	Confident	74.7	Confident	89 Å²	89	64.3 Å²	64.3	47%	0.466	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.2	176.4	176.2	65	0	0	0	110.3	N57 Y359	L15-N57 PolarHBondContact O-ND2 2.84Å; L15-Y359 HydrophobicContact CB-CD1 4.26Å; L15-Y359 HydrophobicContact CB-CE1 4.15Å; L15-Y359 HydrophobicContact CD1-CD1 4.08Å; L15-Y359 HydrophobicContact CD1-CE1 3.74Å; L15-Y359 HydrophobicContact CD1-CE2 4.3Å; L15-Y359 HydrophobicContact CG-CE1 4.46Å
16	L	87.6	Confident	77.6	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-74.3	126.6	175.6	-83.8	148.2	0	0	0	112.7	L37 Y49 L51 N57 I358 V360	L16-L37 HydrophobicContact CD1-CD2 3.53Å; L16-Y49 HydrophobicContact CD2-CD1 3.79Å; L16-Y49 HydrophobicContact CD2-CE1 4.35Å; L16-Y49 HydrophobicContact CD2-CG 4.04Å; L16-L51 HydrophobicContact CD2-CD2 3.67Å; L16-N57 WeakPolarHBondContact CA-ND2 3.47Å; L16-N57 HydrophobicContact CD2-CB 3.86Å; L16-N57 WeakPolarHBondContact CD2-ND2 3.3Å; L16-I358 HydrophobicContact CB-CB 4.14Å; L16-I358 VanDerWaalsContact CB-O 3.29Å; L16-I358 WeakPolarHBondContact CB-O 3.34Å; L16-I358 HydrophobicContact CD1-CB 3.56Å; L16-I358 HydrophobicContact CD1-CG2 3.37Å; L16-I358 HydrophobicContact CG-CB 4.46Å; L16-I358 PolarHBondContact N-O 3.41Å; L16-V360 HydrophobicContact CD1-CG2 3.65Å; L16-V360 HydrophobicContact CG-CG2 4.15Å
17	N	84.1	Confident	80.4	Confident	89 Å²	89	50.3 Å²	50.3	48%	0.476	30%	0.302	S	S	.	.	S	Bend	trans	-71.7	146.8	171.2	-67.9	-32.5	0	0	0	109.4	N57	N17-N57 PolarHBondContact N-ND2 3.47Å; N17-N57 PolarHBondContact ND2-OD1 3.39Å
18	N	84.7	Confident	82.6	Confident	117 Å²	117	46.9 Å²	46.9	63%	0.626	28%	0.284	S	S	*	.	S	Bend	trans	54.4	56.1	-177.2	-57.2	-32.5	0	0	0	112.2	Y49 V59	N18-Y49 PolarHBondContact O-OH 3.49Å; N18-V59 HydrophobicContact CB-CG2 3.93Å
19	A	84.5	Confident	84.9	Confident	32 Å²	32	41.2 Å²	41.2	26%	0.264	25%	0.249	S	C	.	.			trans	-58.7	156.2	169.6	0	0	0	0	0	110.8	D356	A19-D356 VanDerWaalsContact CB-O 3.28Å; A19-D356 WeakPolarHBondContact CB-O 3.49Å
20	P	88.3	Confident	86.2	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.045	23%	0.232	C	C	.	.			trans	-53	149.9	173.3	-30.3	40.8	0	0	0	113.2	D22 V24 I358	P20-D22 VanDerWaalsContact C-N 3.3Å; P20-D22 WeakPolarHBondContact CB-O 3.38Å; P20-V24 HydrophobicContact CB-CG2 4.26Å; P20-V24 HydrophobicContact CG-CG2 3.88Å; P20-I358 HydrophobicContact CG-CD1 4.33Å
21	S	87.6	Confident	86.8	Confident	99 Å²	99	41 Å²	41	69%	0.692	24%	0.242	S	C	*	.	S	Bend	trans	-81.8	-12.5	-176.7	54.5	0	0	0	0	113.8	D43	S21-D43 PolarHBondContact N-OD2 3.33Å; S21-D43 VanDerWaalsContact OG-CB 3.28Å; S21-D43 WeakPolarHBondContact OG-CB 3.32Å; S21-D43 PolarHBondContact OG-OD2 2.85Å
22	D	88.2	Confident	87.1	Confident	81 Å²	81	39.3 Å²	39.3	43%	0.433	22%	0.223	S	C	.	.	S	Bend	trans	-141.4	171.7	176.6	-165.4	2.9	0	0	0	108	P20 V24 W42 D43 D356	P20-D22 VanDerWaalsContact C-N 3.3Å; P20-D22 WeakPolarHBondContact CB-O 3.38Å; D22-V24 PolarHBondContact O-N 2.97Å; D22-W42 HydrophobicContact CB-CB 4.18Å; D22-W42 WeakPolarHBondContact OD2-CB 3.37Å; D22-D43 HydrophobicContact CB-CB 3.89Å; D22-D356 WeakPolarHBondContact CA-OD2 3.34Å
23	G	87.9	Confident	86.9	Confident	8 Å²	8	39.2 Å²	39.2	8%	0.082	23%	0.225	C	C	.	.			trans	-48.4	133	-167.7	0	0	0	0	0	114.4	S41 W42 D356	G23-S41 CarbonylContact O-C 3.58Å; G23-S41 VanDerWaalsContact O-CA 3.3Å; G23-S41 WeakPolarHBondContact O-CA 3.14Å; G23-S41 WeakPolarHBondContact O-CB 3.28Å; G23-W42 VanDerWaalsContact O-CD1 3.28Å; G23-W42 PolarHBondContact O-N 3.23Å; G23-D356 PolarHBondContact N-OD2 3.24Å
24	V	92.7	Very high	86.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.5	175.3	-169.9	0	0	0	0	109.5	P20 D22 V27 S40 I324 A338 S340 I358	P20-V24 HydrophobicContact CB-CG2 4.26Å; P20-V24 HydrophobicContact CG-CG2 3.88Å; D22-V24 PolarHBondContact O-N 2.97Å; V24-V27 HydrophobicContact CG1-CG1 4.05Å; V24-S40 WeakPolarHBondContact CG1-O 3.44Å; V24-I324 WeakPolarHBondContact O-CG2 3.46Å; V24-A338 HydrophobicContact CB-CB 4Å; V24-A338 HydrophobicContact CG1-CB 3.69Å; V24-S340 PolarHBondContact N-OG 3.44Å; V24-I358 HydrophobicContact CG1-CD1 4.28Å; V24-I358 HydrophobicContact CG2-CD1 4.22Å; V24-I358 HydrophobicContact CG2-CG1 4.03Å
25	T	89.8	Confident	86.6	Confident	18 Å²	18	44.9 Å²	44.9	11%	0.11	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-41.8	-178.4	55	0	0	0	0	112.7	S40 W42 V69	T25-S40 PolarHBondContact N-O 3.15Å; T25-S40 WeakPolarHBondContact OG1-CB 3.18Å; T25-S40 PolarHBondContact OG1-O 2.94Å; T25-S40 PolarHBondContact OG1-OG 3.42Å; T25-W42 HydrophobicContact CG2-CG 4.1Å; T25-V69 WeakPolarHBondContact CB-O 3.06Å; T25-V69 VanDerWaalsContact CG2-O 3.29Å; T25-V69 WeakPolarHBondContact CG2-O 3.28Å; T25-V69 PolarHBondContact OG1-O 3.36Å
26	A	90.8	Very high	86.5	Confident	4 Å²	4	41.2 Å²	41.2	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	149.2	178.5	0	0	0	0	0	111.5	A39 S40 D71	A26-A39 WeakPolarHBondContact O-CA 3.34Å; A26-S40 WeakPolarHBondContact CB-OG 3.32Å; A26-S40 PolarHBondContact N-OG 3.02Å; A26-S40 PolarHBondContact O-N 3.29Å; A26-D71 WeakPolarHBondContact CB-OD1 3.43Å
27	V	93.1	Very high	86.6	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.3	169.2	-69.7	0	0	0	0	109.3	V24 L37 L38 A39 S325 A336 A338 I358	V24-V27 HydrophobicContact CG1-CG1 4.05Å; V27-L37 HydrophobicContact CB-CD1 4.42Å; V27-L38 CarbonylContact C-O 3.58Å; V27-L38 VanDerWaalsContact CA-O 3.26Å; V27-L38 WeakPolarHBondContact CA-O 3.15Å; V27-A39 HydrophobicContact CG1-CB 4.01Å; V27-S325 PolarHBondContact N-OG 2.87Å; V27-S325 VanDerWaalsContact N-OG 3.14Å; V27-A336 HydrophobicContact CG2-CB 4.23Å; V27-A338 HydrophobicContact CG1-CB 3.82Å; V27-A338 HydrophobicContact CG2-CB 4.27Å; V27-I358 HydrophobicContact CG1-CD1 4.15Å; V27-I358 HydrophobicContact CG1-CG2 4.16Å
28	H	90.6	Very high	86.8	Confident	13 Å²	13	36.7 Å²	36.7	6%	0.06	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.1	-179.9	-68.5	-106.4	0	0	0	111.1	L38 D71 C72 F74 E327	H28-L38 PolarHBondContact N-O 3.36Å; H28-L38 PolarHBondContact O-N 3.09Å; H28-D71 IonicContact CD2-OD1 3.18Å; H28-D71 IonicContact CE1-OD1 3.49Å; H28-D71 IonicContact NE2-OD1 2.95Å; H28-D71 PolarHBondContact NE2-OD1 2.92Å; H28-C72 PolarHBondContact CD2-O 3.24Å; H28-C72 PolarHBondContact CE1-O 3.07Å; H28-C72 PolarHBondContact NE2-O 2.92Å; H28-F74 HydrophobicContact CB-CD2 4.38Å; H28-F74 WeakPolarHBondContact O-CE2 3.4Å; H28-E327 VanDerWaalsContact CA-OE2 3.3Å; H28-E327 WeakPolarHBondContact CA-OE2 3.43Å; H28-E327 IonicContact CE1-OE2 3.79Å; H28-E327 IonicContact CG-OE2 2.87Å; H28-E327 IonicContact ND1-OE2 3.91Å; H28-E327 PolarHBondContact ND1-OE2 3.37Å; H28-E327 VanDerWaalsContact ND1-OE2 3.09Å
29	F	90.9	Very high	87.1	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	152.7	173.5	-89.5	-73	0	0	0	110.7	L37 L51 F74 E327 A336 V360	F29-L37 HydrophobicContact CD1-CB 4.43Å; F29-L37 HydrophobicContact CD1-CD1 3.94Å; F29-L37 HydrophobicContact CD2-CD1 4Å; F29-L37 HydrophobicContact CE1-CB 4.35Å; F29-L37 HydrophobicContact CE1-CD1 3.98Å; F29-L37 HydrophobicContact CE2-CD1 4.06Å; F29-L37 HydrophobicContact CG-CD1 3.95Å; F29-L37 HydrophobicContact CZ-CD1 4.04Å; F29-L51 HydrophobicContact CE1-CD1 3.76Å; F29-L51 HydrophobicContact CZ-CD1 4.4Å; F29-F74 VanDerWaalsContact C-CE2 3.47Å; F29-F74 WeakPolarHBondContact O-CD2 3.39Å; F29-E327 HydrophobicContact CD2-CB 4.37Å; F29-E327 HydrophobicContact CD2-CG 4.34Å; F29-E327 WeakPolarHBondContact CD2-O 3.27Å; F29-E327 WeakPolarHBondContact CE2-O 3.42Å; F29-E327 PolarHBondContact N-OE1 3.3Å; F29-A336 HydrophobicContact CD2-CB 4.23Å; F29-A336 HydrophobicContact CE2-CB 3.48Å; F29-A336 VanDerWaalsContact CE2-CB 3.48Å; F29-A336 HydrophobicContact CZ-CB 3.94Å; F29-V360 HydrophobicContact CZ-CG1 4.45Å
30	S	84.8	Confident	87.2	Confident	11 Å²	11	29.6 Å²	29.6	8%	0.077	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.4	171.9	159.4	0	0	0	0	110.4	E32 S33 F36	S30-E32 PolarHBondContact O-N 2.96Å; S30-E32 VanDerWaalsContact O-N 3.16Å; S30-E32 PolarHBondContact OG-N 3.34Å; S30-S33 WeakPolarHBondContact CB-O 3.38Å; S30-S33 PolarHBondContact O-N 3.39Å; S30-S33 PolarHBondContact OG-N 3.21Å; S30-F36 PolarHBondContact N-O 3.28Å
31	P	80.4	Confident	87.3	Confident	55 Å²	55	29.3 Å²	29.3	36%	0.357	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20	-177.1	24.8	-33.1	0	0	0	113.3	F74 V76 H330	P31-F74 HydrophobicContact CG-CB 4.23Å; P31-V76 HydrophobicContact CB-CG2 3.85Å; P31-V76 HydrophobicContact CG-CG2 3.47Å; P31-V76 VanDerWaalsContact CG-CG2 3.47Å; P31-H330 VanDerWaalsContact O-CB 3.31Å; P31-H330 WeakPolarHBondContact O-CB 3.33Å
32	E	77.5	Confident	87.2	Confident	94 Å²	94	30.6 Å²	30.6	44%	0.439	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-9.5	-178.2	-60.8	-173.5	174	0	0	113.9	S30 A89	S30-E32 PolarHBondContact O-N 2.96Å; S30-E32 VanDerWaalsContact O-N 3.16Å; S30-E32 PolarHBondContact OG-N 3.34Å; E32-A89 WeakPolarHBondContact OE2-CB 3.28Å
33	S	80.4	Confident	87.1	Confident	29 Å²	29	28 Å²	28	20%	0.203	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	132.7	-172	-176.6	0	0	0	0	112.1	S30 K35	S30-S33 WeakPolarHBondContact CB-O 3.38Å; S30-S33 PolarHBondContact O-N 3.39Å; S30-S33 PolarHBondContact OG-N 3.21Å; S33-K35 PolarHBondContact O-N 3.06Å; S33-K35 WeakPolarHBondContact OG-CB 3.38Å; S33-K35 PolarHBondContact OG-N 3.44Å
34	E	82.2	Confident	86.9	Confident	71 Å²	71	28.9 Å²	28.9	33%	0.332	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-10.5	172	70.8	-111.7	-158.4	0	0	113.9	F36 Y334	E34-F36 VanDerWaalsContact C-N 3.3Å; E34-F36 PolarHBondContact O-N 3.01Å; E34-Y334 HydrophobicContact CB-CD2 4.08Å; E34-Y334 HydrophobicContact CG-CD2 4.2Å; E34-Y334 HydrophobicContact CG-CE2 4.12Å
35	K	83.2	Confident	86.5	Confident	114 Å²	114	29.5 Å²	29.5	50%	0.496	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-14.7	-174.5	-65.5	-174.7	179.4	-176.6	0	113.9	S33 E50 L51	S33-K35 PolarHBondContact O-N 3.06Å; S33-K35 WeakPolarHBondContact OG-CB 3.38Å; S33-K35 PolarHBondContact OG-N 3.44Å; K35-E50 CarbonylContact O-C 3.59Å; K35-E50 WeakPolarHBondContact O-CA 3.27Å; K35-L51 PolarHBondContact O-N 3.28Å
36	F	86.9	Confident	86.2	Confident	12 Å²	12	28.7 Å²	28.7	5%	0.053	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.5	-173.6	-60.5	-72.2	0	0	0	110.1	S30 E34 L48 Y49 E50 R60 F74 R91	S30-F36 PolarHBondContact N-O 3.28Å; E34-F36 VanDerWaalsContact C-N 3.3Å; E34-F36 PolarHBondContact O-N 3.01Å; F36-L48 HydrophobicContact CB-CD1 4.22Å; F36-Y49 WeakPolarHBondContact CA-O 3.31Å; F36-E50 HydrophobicContact CD1-CB 4.27Å; F36-E50 HydrophobicContact CD1-CG 4.35Å; F36-E50 HydrophobicContact CE1-CB 3.85Å; F36-E50 HydrophobicContact CE1-CG 3.58Å; F36-E50 WeakPolarHBondContact CE1-OE2 3.29Å; F36-E50 HydrophobicContact CZ-CG 4.09Å; F36-R60 VanDerWaalsContact CE1-NH1 3.33Å; F36-F74 HydrophobicContact CB-CZ 4.48Å; F36-R91 VanDerWaalsContact CD1-CZ 3.5Å; F36-R91 VanDerWaalsContact CD2-CZ 3.5Å; F36-R91 VanDerWaalsContact CE1-CZ 3.46Å; F36-R91 VanDerWaalsContact CZ-CZ 3.49Å
37	L	89.5	Confident	86	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.1	176.5	-178.3	75.2	0	0	0	108.2	L16 V27 F29 Y49 L51 A336 I358 V360	L16-L37 HydrophobicContact CD1-CD2 3.53Å; V27-L37 HydrophobicContact CB-CD1 4.42Å; F29-L37 HydrophobicContact CD1-CB 4.43Å; F29-L37 HydrophobicContact CD1-CD1 3.94Å; F29-L37 HydrophobicContact CD2-CD1 4Å; F29-L37 HydrophobicContact CE1-CB 4.35Å; F29-L37 HydrophobicContact CE1-CD1 3.98Å; F29-L37 HydrophobicContact CE2-CD1 4.06Å; F29-L37 HydrophobicContact CG-CD1 3.95Å; F29-L37 HydrophobicContact CZ-CD1 4.04Å; L37-Y49 PolarHBondContact N-O 2.98Å; L37-Y49 VanDerWaalsContact N-O 3.14Å; L37-Y49 PolarHBondContact O-N 3.27Å; L37-L51 HydrophobicContact CB-CD1 4.13Å; L37-A336 HydrophobicContact CD1-CB 3.66Å; L37-A336 HydrophobicContact CD2-CB 4.15Å; L37-I358 HydrophobicContact CD2-CG2 4.26Å; L37-V360 HydrophobicContact CD2-CG2 4.29Å
38	L	88.4	Confident	85.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.4	179	-165.8	144.4	0	0	0	108.9	V27 H28 V46 R47 L48 C72 F74 V93	V27-L38 CarbonylContact C-O 3.58Å; V27-L38 VanDerWaalsContact CA-O 3.26Å; V27-L38 WeakPolarHBondContact CA-O 3.15Å; H28-L38 PolarHBondContact N-O 3.36Å; H28-L38 PolarHBondContact O-N 3.09Å; L38-V46 HydrophobicContact CD1-CG1 4.36Å; L38-V46 HydrophobicContact CD2-CG1 3.48Å; L38-V46 VanDerWaalsContact CD2-CG1 3.48Å; L38-V46 HydrophobicContact CG-CG1 3.93Å; L38-R47 WeakPolarHBondContact CA-O 3.36Å; L38-L48 HydrophobicContact CB-CD1 4.44Å; L38-L48 HydrophobicContact CD1-CD1 4.44Å; L38-C72 HydrophobicContact CD2-CB 3.31Å; L38-C72 WeakPolarHBondContact CD2-SG 3.2Å; L38-F74 HydrophobicContact CB-CD2 4.42Å; L38-F74 HydrophobicContact CB-CE2 3.54Å; L38-F74 HydrophobicContact CB-CZ 3.63Å; L38-F74 HydrophobicContact CD1-CE1 4.05Å; L38-F74 HydrophobicContact CD1-CE2 4.32Å; L38-F74 HydrophobicContact CD1-CZ 3.93Å; L38-F74 HydrophobicContact CG-CZ 4.42Å; L38-V93 HydrophobicContact CD1-CB 4.12Å; L38-V93 HydrophobicContact CD1-CG1 3.69Å; L38-V93 HydrophobicContact CD1-CG2 3.33Å; L38-V93 HydrophobicContact CD2-CG1 4.24Å
39	A	90.8	Very high	85.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.5	179.1	0	0	0	0	0	110.7	A26 V27 V46 R47 Y49 I358	A26-A39 WeakPolarHBondContact O-CA 3.34Å; V27-A39 HydrophobicContact CG1-CB 4.01Å; A39-V46 CarbonylContact O-C 3.28Å; A39-V46 WeakPolarHBondContact O-CA 3.39Å; A39-R47 PolarHBondContact N-O 2.77Å; A39-R47 PolarHBondContact O-N 3.42Å; A39-Y49 HydrophobicContact CB-CD2 4.5Å; A39-Y49 HydrophobicContact CB-CE2 3.93Å; A39-I358 HydrophobicContact CB-CD1 3.72Å
40	S	87.8	Confident	85.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	152.3	169.6	55.5	0	0	0	0	111.1	V24 T25 A26 C72	V24-S40 WeakPolarHBondContact CG1-O 3.44Å; T25-S40 PolarHBondContact N-O 3.15Å; T25-S40 WeakPolarHBondContact OG1-CB 3.18Å; T25-S40 PolarHBondContact OG1-O 2.94Å; T25-S40 PolarHBondContact OG1-OG 3.42Å; A26-S40 WeakPolarHBondContact CB-OG 3.32Å; A26-S40 PolarHBondContact N-OG 3.02Å; A26-S40 PolarHBondContact O-N 3.29Å; S40-C72 VanDerWaalsContact CB-SG 3.51Å; S40-C72 PolarHBondContact OG-SG 2.86Å
41	S	89.3	Confident	85.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.8	-174.5	35.9	0	0	0	0	113.4	G23 D43 S44 C45 R47 V69	G23-S41 CarbonylContact O-C 3.58Å; G23-S41 VanDerWaalsContact O-CA 3.3Å; G23-S41 WeakPolarHBondContact O-CA 3.14Å; G23-S41 WeakPolarHBondContact O-CB 3.28Å; S41-D43 VanDerWaalsContact CB-OD1 3.26Å; S41-D43 WeakPolarHBondContact CB-OD1 3.33Å; S41-D43 PolarHBondContact O-N 2.98Å; S41-D43 VanDerWaalsContact OG-CG 3.24Å; S41-D43 PolarHBondContact OG-OD1 2.82Å; S41-D43 PolarHBondContact OG-OD2 2.72Å; S41-S44 PolarHBondContact O-N 3.08Å; S41-C45 PolarHBondContact N-O 3.22Å; S41-C45 PolarHBondContact OG-O 3.47Å; S41-R47 PolarHBondContact OG-NH1 3.05Å; S41-V69 PolarHBondContact O-N 3.45Å
42	W	86.8	Confident	84.8	Confident	126 Å²	126	32.5 Å²	32.5	48%	0.477	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.5	176.3	-79.2	95.2	0	0	0	113.5	D22 G23 T25 S44 P68 L70	D22-W42 HydrophobicContact CB-CB 4.18Å; D22-W42 WeakPolarHBondContact OD2-CB 3.37Å; G23-W42 VanDerWaalsContact O-CD1 3.28Å; G23-W42 PolarHBondContact O-N 3.23Å; T25-W42 HydrophobicContact CG2-CG 4.1Å; W42-S44 PolarHBondContact O-N 3.33Å; W42-P68 HydrophobicContact CD2-CB 4.07Å; W42-P68 HydrophobicContact CE3-CB 3.39Å; W42-P68 HydrophobicContact CE3-CG 3.57Å; W42-P68 HydrophobicContact CZ3-CB 3.8Å; W42-P68 HydrophobicContact CZ3-CG 3.92Å; W42-L70 HydrophobicContact CH2-CD2 4.07Å; W42-L70 HydrophobicContact CZ2-CD2 3.92Å
43	D	86.5	Confident	84.1	Confident	26 Å²	26	30.9 Å²	30.9	14%	0.139	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	14.1	171.9	68.9	3.4	0	0	0	114	S21 D22 S41 C45 R47	S21-D43 PolarHBondContact N-OD2 3.33Å; S21-D43 VanDerWaalsContact OG-CB 3.28Å; S21-D43 WeakPolarHBondContact OG-CB 3.32Å; S21-D43 PolarHBondContact OG-OD2 2.85Å; D22-D43 HydrophobicContact CB-CB 3.89Å; S41-D43 VanDerWaalsContact CB-OD1 3.26Å; S41-D43 WeakPolarHBondContact CB-OD1 3.33Å; S41-D43 PolarHBondContact O-N 2.98Å; S41-D43 VanDerWaalsContact OG-CG 3.24Å; S41-D43 PolarHBondContact OG-OD1 2.82Å; S41-D43 PolarHBondContact OG-OD2 2.72Å; D43-C45 PolarHBondContact O-N 3.44Å; D43-C45 VanDerWaalsContact O-N 3.14Å; D43-C45 PolarHBondContact O-SG 3.29Å; D43-C45 VanDerWaalsContact O-SG 3.41Å; D43-C45 VanDerWaalsContact OD1-CB 3.28Å; D43-C45 WeakPolarHBondContact OD1-CB 3.31Å; D43-C45 PolarHBondContact OD1-N 3.48Å; D43-R47 IonicContact OD1-NH1 3.65Å; D43-R47 PolarHBondContact OD1-NH1 2.98Å; D43-R47 IonicContact OD2-CZ 3.69Å; D43-R47 IonicContact OD2-NH1 2.82Å; D43-R47 PolarHBondContact OD2-NH1 2.8Å; D43-R47 IonicContact OD2-NH2 3.3Å; D43-R47 PolarHBondContact OD2-NH2 3.43Å
44	S	82.4	Confident	83	Confident	27 Å²	27	33.3 Å²	33.3	19%	0.189	19%	0.186	C	C	.	.	S	Bend	trans	60.7	18	-179.1	-47.4	0	0	0	0	114.2	S41 W42 H65 A67	S41-S44 PolarHBondContact O-N 3.08Å; W42-S44 PolarHBondContact O-N 3.33Å; S44-H65 VanDerWaalsContact CB-O 3.24Å; S44-H65 WeakPolarHBondContact CB-O 3.36Å; S44-H65 PolarHBondContact O-N 3.4Å; S44-A67 WeakPolarHBondContact CB-O 3.12Å; S44-A67 PolarHBondContact OG-O 2.94Å
45	C	83.7	Confident	81.8	Confident	14 Å²	14	34.4 Å²	34.4	10%	0.095	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.1	178.6	-61.8	0	0	0	0	112.3	S41 D43 F63	S41-C45 PolarHBondContact N-O 3.22Å; S41-C45 PolarHBondContact OG-O 3.47Å; D43-C45 PolarHBondContact O-N 3.44Å; D43-C45 VanDerWaalsContact O-N 3.14Å; D43-C45 PolarHBondContact O-SG 3.29Å; D43-C45 VanDerWaalsContact O-SG 3.41Å; D43-C45 VanDerWaalsContact OD1-CB 3.28Å; D43-C45 WeakPolarHBondContact OD1-CB 3.31Å; D43-C45 PolarHBondContact OD1-N 3.48Å; C45-F63 CarbonylContact C-O 3.57Å; C45-F63 VanDerWaalsContact CA-O 3.26Å; C45-F63 WeakPolarHBondContact CA-O 3.37Å
46	V	84.3	Confident	80.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.8	165	-178.6	0	0	0	0	108.7	L38 A39 S62 F63 V69 C72 V93 T95	L38-V46 HydrophobicContact CD1-CG1 4.36Å; L38-V46 HydrophobicContact CD2-CG1 3.48Å; L38-V46 VanDerWaalsContact CD2-CG1 3.48Å; L38-V46 HydrophobicContact CG-CG1 3.93Å; A39-V46 CarbonylContact O-C 3.28Å; A39-V46 WeakPolarHBondContact O-CA 3.39Å; V46-S62 CarbonylContact O-C 3.57Å; V46-S62 WeakPolarHBondContact O-CA 3.35Å; V46-F63 HydrophobicContact CB-CB 4.37Å; V46-F63 HydrophobicContact CB-CD2 4.34Å; V46-F63 HydrophobicContact CG1-CD2 4.43Å; V46-F63 PolarHBondContact N-O 2.92Å; V46-F63 PolarHBondContact O-N 3.37Å; V46-V69 HydrophobicContact CG2-CB 4Å; V46-V69 HydrophobicContact CG2-CG1 3.66Å; V46-V69 HydrophobicContact CG2-CG2 3.81Å; V46-C72 HydrophobicContact CG1-CB 4.29Å; V46-V93 HydrophobicContact CG1-CG1 3.97Å; V46-T95 HydrophobicContact CB-CG2 4.3Å; V46-T95 HydrophobicContact CG2-CG2 3.58Å
47	R	86	Confident	80.2	Confident	34 Å²	34	32.1 Å²	32.1	13%	0.128	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.9	-175.9	-65.6	179.2	-178.5	80.7	-3.2	110.2	L38 A39 S41 D43 Y49 V59	L38-R47 WeakPolarHBondContact CA-O 3.36Å; A39-R47 PolarHBondContact N-O 2.77Å; A39-R47 PolarHBondContact O-N 3.42Å; S41-R47 PolarHBondContact OG-NH1 3.05Å; D43-R47 IonicContact OD1-NH1 3.65Å; D43-R47 PolarHBondContact OD1-NH1 2.98Å; D43-R47 IonicContact OD2-CZ 3.69Å; D43-R47 IonicContact OD2-NH1 2.82Å; D43-R47 PolarHBondContact OD2-NH1 2.8Å; D43-R47 IonicContact OD2-NH2 3.3Å; D43-R47 PolarHBondContact OD2-NH2 3.43Å; R47-Y49 HydrophobicContact CB-CD2 4.33Å; R47-Y49 HydrophobicContact CB-CE2 3.65Å; R47-Y49 VanDerWaalsContact CD-OH 3.3Å; R47-Y49 WeakPolarHBondContact CD-OH 3.47Å; R47-V59 HydrophobicContact CB-CG1 4.42Å; R47-V59 HydrophobicContact CG-CG1 4.48Å
48	L	86.3	Confident	79.7	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.2	169.2	179.8	66.8	0	0	0	108.6	F36 L38 R60 T61 F74 L120	F36-L48 HydrophobicContact CB-CD1 4.22Å; L38-L48 HydrophobicContact CB-CD1 4.44Å; L38-L48 HydrophobicContact CD1-CD1 4.44Å; L48-R60 WeakPolarHBondContact O-CB 3.35Å; L48-R60 PolarHBondContact O-N 3.44Å; L48-T61 HydrophobicContact CB-CG2 3.79Å; L48-T61 HydrophobicContact CD2-CG2 4.01Å; L48-T61 PolarHBondContact N-O 2.79Å; L48-T61 PolarHBondContact O-N 2.91Å; L48-F74 HydrophobicContact CD1-CE1 4.14Å; L48-F74 HydrophobicContact CD1-CZ 3.78Å; L48-L120 HydrophobicContact CD2-CD1 4.29Å
49	Y	87.1	Confident	79.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.7	174.4	-62.7	-88.9	0	0	0	110.5	L16 N18 F36 L37 A39 R47 Y58 V59 I358	L16-Y49 HydrophobicContact CD2-CD1 3.79Å; L16-Y49 HydrophobicContact CD2-CE1 4.35Å; L16-Y49 HydrophobicContact CD2-CG 4.04Å; N18-Y49 PolarHBondContact O-OH 3.49Å; F36-Y49 WeakPolarHBondContact CA-O 3.31Å; L37-Y49 PolarHBondContact N-O 2.98Å; L37-Y49 VanDerWaalsContact N-O 3.14Å; L37-Y49 PolarHBondContact O-N 3.27Å; A39-Y49 HydrophobicContact CB-CD2 4.5Å; A39-Y49 HydrophobicContact CB-CE2 3.93Å; R47-Y49 HydrophobicContact CB-CD2 4.33Å; R47-Y49 HydrophobicContact CB-CE2 3.65Å; R47-Y49 VanDerWaalsContact CD-OH 3.3Å; R47-Y49 WeakPolarHBondContact CD-OH 3.47Å; Y49-Y58 WeakPolarHBondContact CA-O 3.31Å; Y49-V59 HydrophobicContact CD1-CG2 3.89Å; Y49-V59 HydrophobicContact CE1-CG2 3.41Å; Y49-V59 VanDerWaalsContact CE1-CG2 3.41Å; Y49-I358 HydrophobicContact CE2-CD1 4.45Å
50	E	84.8	Confident	78.9	Confident	35 Å²	35	45 Å²	45	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122	165.3	-176.8	160.1	176.1	0	0	109.1	K35 F36 N57 Y58 R60	K35-E50 CarbonylContact O-C 3.59Å; K35-E50 WeakPolarHBondContact O-CA 3.27Å; F36-E50 HydrophobicContact CD1-CB 4.27Å; F36-E50 HydrophobicContact CD1-CG 4.35Å; F36-E50 HydrophobicContact CE1-CB 3.85Å; F36-E50 HydrophobicContact CE1-CG 3.58Å; F36-E50 WeakPolarHBondContact CE1-OE2 3.29Å; F36-E50 HydrophobicContact CZ-CG 4.09Å; E50-N57 WeakPolarHBondContact O-CA 3.38Å; E50-Y58 HydrophobicContact CB-CE1 4.07Å; E50-Y58 HydrophobicContact CB-CE2 4.29Å; E50-Y58 HydrophobicContact CG-CE1 4.2Å; E50-Y58 PolarHBondContact N-O 2.92Å; E50-Y58 PolarHBondContact O-N 2.88Å; E50-Y58 PolarHBondContact OE2-OH 3.46Å; E50-R60 HydrophobicContact CB-CB 4.39Å; E50-R60 IonicContact OE1-NH1 3.37Å; E50-R60 WeakPolarHBondContact OE2-CD 3.41Å; E50-R60 IonicContact OE2-CZ 3.94Å; E50-R60 IonicContact OE2-NE 2.99Å; E50-R60 IonicContact OE2-NH1 3.44Å; E50-R60 PolarHBondContact OE2-NH1 3.48Å
51	L	85.2	Confident	78.4	Confident	27 Å²	27	46.8 Å²	46.8	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111	-179.7	-54.5	177.2	0	0	0	108.2	L16 F29 K35 L37 N57 V360	L16-L51 HydrophobicContact CD2-CD2 3.67Å; F29-L51 HydrophobicContact CE1-CD1 3.76Å; F29-L51 HydrophobicContact CZ-CD1 4.4Å; K35-L51 PolarHBondContact O-N 3.28Å; L37-L51 HydrophobicContact CB-CD1 4.13Å; L51-N57 HydrophobicContact CD2-CB 4.05Å; L51-V360 HydrophobicContact CD1-CG1 4.37Å; L51-V360 HydrophobicContact CD1-CG2 4.29Å; L51-V360 HydrophobicContact CD2-CG2 4.36Å
52	S	71.7	Confident	78	Confident	72 Å²	72	50 Å²	50	50%	0.503	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	90.2	179.6	177.3	0	0	0	0	110.1	A56	S52-A56 CarbonylContact C-O 3.46Å; S52-A56 WeakPolarHBondContact CA-O 3.45Å; S52-A56 PolarHBondContact N-O 3.37Å
53	G	62.3	Low	77.5	Confident	61 Å²	61	44.2 Å²	44.2	63%	0.629	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-176.3	-179.6	0	0	0	0	0	113.3	S55	G53-S55 PolarHBondContact O-N 2.87Å
54	S	58.6	Low	77.1	Confident	80 Å²	80	49.8 Å²	49.8	56%	0.559	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	3.3	-164	-27.3	0	0	0	0	116.7	H14	H14-S54 PolarHBondContact CD2-O 3.39Å; H14-S54 PolarHBondContact CE1-O 3.11Å; H14-S54 PolarHBondContact ND1-O 3.36Å; H14-S54 PolarHBondContact NE2-O 2.99Å
55	S	57	Low	76.5	Confident	94 Å²	94	49.9 Å²	49.9	66%	0.657	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.2	-19.3	-174	-42.6	0	0	0	0	115.4	G53 N57	G53-S55 PolarHBondContact O-N 2.87Å; S55-N57 PolarHBondContact O-OD1 3.4Å
56	A	59.4	Low	75.8	Confident	56 Å²	56	57.5 Å²	57.5	46%	0.463	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.3	-175.6	0	0	0	0	0	110	S52	S52-A56 CarbonylContact C-O 3.46Å; S52-A56 WeakPolarHBondContact CA-O 3.45Å; S52-A56 PolarHBondContact N-O 3.37Å
57	N	77.1	Confident	75.3	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.112	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130.9	-177.2	53.1	-21.6	0	0	0	109	L15 L16 N17 E50 L51 S55	L15-N57 PolarHBondContact O-ND2 2.84Å; L16-N57 WeakPolarHBondContact CA-ND2 3.47Å; L16-N57 HydrophobicContact CD2-CB 3.86Å; L16-N57 WeakPolarHBondContact CD2-ND2 3.3Å; N17-N57 PolarHBondContact N-ND2 3.47Å; N17-N57 PolarHBondContact ND2-OD1 3.39Å; E50-N57 WeakPolarHBondContact O-CA 3.38Å; L51-N57 HydrophobicContact CD2-CB 4.05Å; S55-N57 PolarHBondContact O-OD1 3.4Å
58	Y	79.2	Confident	75	Confident	116 Å²	116	57.2 Å²	57.2	46%	0.455	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	152.5	179.2	62.3	-85	0	0	0	109.8	Y49 E50 R60	Y49-Y58 WeakPolarHBondContact CA-O 3.31Å; E50-Y58 HydrophobicContact CB-CE1 4.07Å; E50-Y58 HydrophobicContact CB-CE2 4.29Å; E50-Y58 HydrophobicContact CG-CE1 4.2Å; E50-Y58 PolarHBondContact N-O 2.92Å; E50-Y58 PolarHBondContact O-N 2.88Å; E50-Y58 PolarHBondContact OE2-OH 3.46Å; Y58-R60 HydrophobicContact CE2-CB 4.29Å; Y58-R60 PolarHBondContact O-N 3.13Å
59	V	82	Confident	74.7	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.255	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	112	170.8	178.9	0	0	0	0	106.7	N18 R47 Y49	N18-V59 HydrophobicContact CB-CG2 3.93Å; R47-V59 HydrophobicContact CB-CG1 4.42Å; R47-V59 HydrophobicContact CG-CG1 4.48Å; Y49-V59 HydrophobicContact CD1-CG2 3.89Å; Y49-V59 HydrophobicContact CE1-CG2 3.41Å; Y49-V59 VanDerWaalsContact CE1-CG2 3.41Å
60	R	79.1	Confident	74.7	Confident	114 Å²	114	57.8 Å²	57.8	43%	0.43	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-40.4	178	-175	177.4	179.2	141.5	-2	111.1	F36 L48 E50 Y58	F36-R60 VanDerWaalsContact CE1-NH1 3.33Å; L48-R60 WeakPolarHBondContact O-CB 3.35Å; L48-R60 PolarHBondContact O-N 3.44Å; E50-R60 HydrophobicContact CB-CB 4.39Å; E50-R60 IonicContact OE1-NH1 3.37Å; E50-R60 WeakPolarHBondContact OE2-CD 3.41Å; E50-R60 IonicContact OE2-CZ 3.94Å; E50-R60 IonicContact OE2-NE 2.99Å; E50-R60 IonicContact OE2-NH1 3.44Å; E50-R60 PolarHBondContact OE2-NH1 3.48Å; Y58-R60 HydrophobicContact CE2-CB 4.29Å; Y58-R60 PolarHBondContact O-N 3.13Å
61	T	78.5	Confident	74.6	Confident	36 Å²	36	56.6 Å²	56.6	22%	0.221	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	156.9	175.6	-173.5	0	0	0	0	110.4	L48 F63 L120	L48-T61 HydrophobicContact CB-CG2 3.79Å; L48-T61 HydrophobicContact CD2-CG2 4.01Å; L48-T61 PolarHBondContact N-O 2.79Å; L48-T61 PolarHBondContact O-N 2.91Å; T61-F63 HydrophobicContact CG2-CE1 4.49Å; T61-F63 HydrophobicContact CG2-CE2 3.98Å; T61-F63 HydrophobicContact CG2-CZ 3.78Å; T61-L120 HydrophobicContact CG2-CD1 4.25Å
62	S	80.7	Confident	74.6	Confident	67 Å²	67	55.3 Å²	55.3	47%	0.469	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.9	176.3	57.2	0	0	0	0	110.1	V46	V46-S62 CarbonylContact O-C 3.57Å; V46-S62 WeakPolarHBondContact O-CA 3.35Å
63	F	76.3	Confident	75.2	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125	176.9	-53.1	-71	0	0	0	108.9	C45 V46 T61 V93 R118 L120 V128	C45-F63 CarbonylContact C-O 3.57Å; C45-F63 VanDerWaalsContact CA-O 3.26Å; C45-F63 WeakPolarHBondContact CA-O 3.37Å; V46-F63 HydrophobicContact CB-CB 4.37Å; V46-F63 HydrophobicContact CB-CD2 4.34Å; V46-F63 HydrophobicContact CG1-CD2 4.43Å; V46-F63 PolarHBondContact N-O 2.92Å; V46-F63 PolarHBondContact O-N 3.37Å; T61-F63 HydrophobicContact CG2-CE1 4.49Å; T61-F63 HydrophobicContact CG2-CE2 3.98Å; T61-F63 HydrophobicContact CG2-CZ 3.78Å; F63-V93 HydrophobicContact CE2-CG2 4.02Å; F63-R118 HydrophobicContact CE1-CB 4.47Å; F63-L120 HydrophobicContact CE1-CD2 4.35Å; F63-L120 HydrophobicContact CZ-CD1 3.98Å; F63-L120 HydrophobicContact CZ-CD2 4.18Å; F63-L120 HydrophobicContact CZ-CG 4.15Å; F63-V128 HydrophobicContact CD1-CG1 4.09Å; F63-V128 HydrophobicContact CE1-CG1 3.76Å; F63-V128 HydrophobicContact CE1-CG2 4.31Å
64	M	76.9	Confident	76.1	Confident	142 Å²	142	50.6 Å²	50.6	70%	0.7	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.6	175.1	-63.6	-149.4	-59.4	0	0	110.7	R118	M64-R118 PolarHBondContact O-NH2 3.42Å
65	H	69.7	Low	76.5	Confident	29 Å²	29	47.4 Å²	47.4	13%	0.134	25%	0.252	C	S	.	.			trans	-122.4	160.8	173.9	-70.2	-83.9	0	0	0	109.3	S44 A67 V69 T95 E130	S44-H65 VanDerWaalsContact CB-O 3.24Å; S44-H65 WeakPolarHBondContact CB-O 3.36Å; S44-H65 PolarHBondContact O-N 3.4Å; H65-A67 PolarHBondContact O-N 3.48Å; H65-V69 HydrophobicContact CB-CG2 3.96Å; H65-T95 PolarHBondContact CE1-OG1 2.94Å; H65-T95 PolarHBondContact ND1-OG1 3.48Å; H65-T95 WeakPolarHBondContact NE2-CG2 3.41Å; H65-T95 PolarHBondContact NE2-OG1 2.65Å; H65-E130 IonicContact CE1-OE1 3.65Å
66	E	70.1	Confident	76.7	Confident	175 Å²	175	44.9 Å²	44.9	82%	0.818	23%	0.233	S	C	*	.	S	Bend	trans	-74	-9.9	177.8	-62	-173.4	166.1	0	0	113
67	A	73	Confident	76.3	Confident	6 Å²	6	47.4 Å²	47.4	5%	0.05	23%	0.23	C	C	.	.	S	Bend	trans	-150.3	163.7	-176.6	0	0	0	0	0	111.9	S44 H65 V69 A97 A98 Q99	S44-A67 WeakPolarHBondContact CB-O 3.12Å; S44-A67 PolarHBondContact OG-O 2.94Å; H65-A67 PolarHBondContact O-N 3.48Å; A67-V69 PolarHBondContact O-N 3.23Å; A67-A97 HydrophobicContact CB-CB 4.28Å; A67-A98 WeakPolarHBondContact CB-O 3.38Å; A67-Q99 HydrophobicContact CB-CB 4.42Å
68	P	79.4	Confident	74.5	Confident	22 Å²	22	48.2 Å²	48.2	14%	0.143	23%	0.234	C	C	.	.			trans	-52.5	134.9	178.9	-31.4	37.1	0	0	0	113.3	W42 A97 A98	W42-P68 HydrophobicContact CD2-CB 4.07Å; W42-P68 HydrophobicContact CE3-CB 3.39Å; W42-P68 HydrophobicContact CE3-CG 3.57Å; W42-P68 HydrophobicContact CZ3-CB 3.8Å; W42-P68 HydrophobicContact CZ3-CG 3.92Å; P68-A97 VanDerWaalsContact O-CA 3.31Å; P68-A97 WeakPolarHBondContact O-CA 3.47Å; P68-A98 WeakPolarHBondContact CD-O 3.26Å; P68-A98 PolarHBondContact O-N 2.93Å
69	V	81.3	Confident	72.4	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.4	-178.5	-177.4	0	0	0	0	108.8	T25 S41 V46 H65 A67 D71 T95 A96	T25-V69 WeakPolarHBondContact CB-O 3.06Å; T25-V69 VanDerWaalsContact CG2-O 3.29Å; T25-V69 WeakPolarHBondContact CG2-O 3.28Å; T25-V69 PolarHBondContact OG1-O 3.36Å; S41-V69 PolarHBondContact O-N 3.45Å; V46-V69 HydrophobicContact CG2-CB 4Å; V46-V69 HydrophobicContact CG2-CG1 3.66Å; V46-V69 HydrophobicContact CG2-CG2 3.81Å; H65-V69 HydrophobicContact CB-CG2 3.96Å; A67-V69 PolarHBondContact O-N 3.23Å; V69-D71 WeakPolarHBondContact CG1-O 3.3Å; V69-T95 HydrophobicContact CG1-CG2 4.46Å; V69-A96 CarbonylContact C-O 3.51Å; V69-A96 WeakPolarHBondContact CA-O 3.48Å
70	L	85.8	Confident	69.7	Low	12 Å²	12	56.3 Å²	56.3	6%	0.063	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-27.7	-173.3	-62.6	-174.9	0	0	0	114.1	W42 A96 A98 P139 V140	W42-L70 HydrophobicContact CH2-CD2 4.07Å; W42-L70 HydrophobicContact CZ2-CD2 3.92Å; L70-A96 PolarHBondContact N-O 2.75Å; L70-A98 HydrophobicContact CD1-CB 3.82Å; L70-A98 HydrophobicContact CG-CB 4.13Å; L70-P139 HydrophobicContact CD1-CB 4.16Å; L70-V140 WeakPolarHBondContact CD1-O 3.42Å
71	D	83.7	Confident	67.4	Low	10 Å²	10	59.9 Å²	59.9	5%	0.053	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	157.1	176.2	-157.8	7.3	0	0	0	109.9	A26 H28 V69 A96 C142 L143	A26-D71 WeakPolarHBondContact CB-OD1 3.43Å; H28-D71 IonicContact CD2-OD1 3.18Å; H28-D71 IonicContact CE1-OD1 3.49Å; H28-D71 IonicContact NE2-OD1 2.95Å; H28-D71 PolarHBondContact NE2-OD1 2.92Å; V69-D71 WeakPolarHBondContact CG1-O 3.3Å; D71-A96 PolarHBondContact O-N 3.45Å; D71-C142 VanDerWaalsContact OD2-CA 3.26Å; D71-C142 WeakPolarHBondContact OD2-CA 3.25Å; D71-L143 HydrophobicContact CB-CG 4.42Å; D71-L143 PolarHBondContact OD2-N 3.01Å
72	C	85.8	Confident	64.9	Low	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.4	179.8	53.6	0	0	0	0	109.2	H28 L38 S40 V46 V94	H28-C72 PolarHBondContact CD2-O 3.24Å; H28-C72 PolarHBondContact CE1-O 3.07Å; H28-C72 PolarHBondContact NE2-O 2.92Å; L38-C72 HydrophobicContact CD2-CB 3.31Å; L38-C72 WeakPolarHBondContact CD2-SG 3.2Å; S40-C72 VanDerWaalsContact CB-SG 3.51Å; S40-C72 PolarHBondContact OG-SG 2.86Å; V46-C72 HydrophobicContact CG1-CB 4.29Å; C72-V94 VanDerWaalsContact CA-O 3.28Å; C72-V94 WeakPolarHBondContact CA-O 3.02Å
73	I	83.5	Confident	62.2	Low	22 Å²	22	67 Å²	67	11%	0.113	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	148.6	178.6	-163.6	161.3	0	0	0	111.5	V94 L143 N145 M152	I73-V94 HydrophobicContact CG2-CB 4.46Å; I73-V94 PolarHBondContact N-O 3.19Å; I73-V94 PolarHBondContact O-N 3.14Å; I73-L143 HydrophobicContact CB-CB 4.35Å; I73-L143 HydrophobicContact CG2-CB 3.86Å; I73-L143 HydrophobicContact CG2-CD1 4.27Å; I73-N145 HydrophobicContact CD1-CB 3.66Å; I73-N145 HydrophobicContact CG1-CB 4.17Å; I73-M152 HydrophobicContact CG2-SD 4.34Å
74	F	80.1	Confident	59.7	Low	12 Å²	12	71.4 Å²	71.4	5%	0.053	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	136.6	167.5	-73.9	-76.7	0	0	0	110.7	H28 F29 P31 F36 L38 L48 N145	H28-F74 HydrophobicContact CB-CD2 4.38Å; H28-F74 WeakPolarHBondContact O-CE2 3.4Å; F29-F74 VanDerWaalsContact C-CE2 3.47Å; F29-F74 WeakPolarHBondContact O-CD2 3.39Å; P31-F74 HydrophobicContact CG-CB 4.23Å; F36-F74 HydrophobicContact CB-CZ 4.48Å; L38-F74 HydrophobicContact CB-CD2 4.42Å; L38-F74 HydrophobicContact CB-CE2 3.54Å; L38-F74 HydrophobicContact CB-CZ 3.63Å; L38-F74 HydrophobicContact CD1-CE1 4.05Å; L38-F74 HydrophobicContact CD1-CE2 4.32Å; L38-F74 HydrophobicContact CD1-CZ 3.93Å; L38-F74 HydrophobicContact CG-CZ 4.42Å; L48-F74 HydrophobicContact CD1-CE1 4.14Å; L48-F74 HydrophobicContact CD1-CZ 3.78Å; F74-N145 PolarHBondContact O-ND2 2.71Å
75	T	68.8	Low	57.1	Low	13 Å²	13	72.5 Å²	72.5	8%	0.08	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.3	169.8	108.1	0	0	0	0	108.7	T92 V94 F117 M152	T75-T92 WeakPolarHBondContact CB-OG1 3.15Å; T75-T92 WeakPolarHBondContact CG2-OG1 3.48Å; T75-T92 PolarHBondContact N-O 2.95Å; T75-T92 PolarHBondContact O-OG1 3.27Å; T75-T92 PolarHBondContact OG1-OG1 3.27Å; T75-V94 HydrophobicContact CG2-CG2 4.21Å; T75-F117 HydrophobicContact CG2-CE2 4.42Å; T75-M152 HydrophobicContact CG2-CE 3.49Å; T75-M152 VanDerWaalsContact CG2-CE 3.49Å; T75-M152 HydrophobicContact CG2-SD 3.28Å; T75-M152 WeakPolarHBondContact CG2-SD 3.24Å
76	V	60	Low	54.9	Low	42 Å²	42	77.8 Å²	77.8	26%	0.255	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-90.2	128.5	178.1	-178.9	0	0	0	0	108.1	P31 N145	P31-V76 HydrophobicContact CB-CG2 3.85Å; P31-V76 HydrophobicContact CG-CG2 3.47Å; P31-V76 VanDerWaalsContact CG-CG2 3.47Å; V76-N145 PolarHBondContact N-ND2 3.43Å
77	R	50.4	Low	52.7	Low	109 Å²	109	77 Å²	77	41%	0.411	40%	0.402	S	S	.	.			trans	-88.6	114.3	172.9	-153.1	178.3	-179.3	135.4	-10.5	108.1	R79 F90	R77-R79 PolarHBondContact O-N 2.9Å; R77-F90 HydrophobicContact CB-CB 4.44Å; R77-F90 VanDerWaalsContact CD-CG 3.49Å; R77-F90 HydrophobicContact CG-CD2 4.42Å; R77-F90 VanDerWaalsContact CZ-CD2 3.4Å
78	M	39.5	Very low	50.4	Low	37 Å²	37	79.4 Å²	79.4	18%	0.182	41%	0.413	C	S	.	.			trans	-55.1	125.4	160.2	-67.8	-169	-162.7	0	0	107.6	D80 P147 L388	M78-D80 PolarHBondContact O-N 2.85Å; M78-D80 VanDerWaalsContact O-N 3.09Å; M78-P147 VanDerWaalsContact CE-O 3.28Å; M78-P147 WeakPolarHBondContact CE-O 3.48Å; M78-L388 HydrophobicContact CE-CD1 3.3Å; M78-L388 HydrophobicContact SD-CD1 3.44Å; M78-L388 WeakPolarHBondContact SD-CD1 3.44Å
79	R	35.6	Very low	47.7	Very low	217 Å²	217	80.4 Å²	80.4	82%	0.819	42%	0.423	S	S	*	.			trans	-60.3	111.5	-175.4	-75.3	177.6	-177.6	167.7	1.1	110.6	R77	R77-R79 PolarHBondContact O-N 2.9Å
80	D	26.4	Very low	45.2	Very low	111 Å²	111	83.3 Å²	83.3	59%	0.594	44%	0.436	S	S	*	.			trans	-104.2	122.2	160.9	-75.6	-33.8	0	0	0	109.2	M78	M78-D80 PolarHBondContact O-N 2.85Å; M78-D80 VanDerWaalsContact O-N 3.09Å
81	F	29.9	Very low	42.5	Very low	189 Å²	189	84.9 Å²	84.9	83%	0.829	44%	0.441	S	S	*	.			trans	78.9	101.3	167.1	-61.4	-79.8	0	0	0	120.1	S83	F81-S83 PolarHBondContact O-N 3.29Å
82	V	26.1	Very low	40.1	Very low	154 Å²	154	84.6 Å²	84.6	93%	0.933	44%	0.439	S	S	*	.			trans	-70.1	103.6	151.7	175.2	0	0	0	0	108.5
83	S	23.6	Very low	37.7	Very low	98 Å²	98	84.6 Å²	84.6	69%	0.685	44%	0.44	S	S	*	.			trans	-159.2	120.1	149.1	62.6	0	0	0	0	110.2	F81	F81-S83 PolarHBondContact O-N 3.29Å
84	A	23.8	Very low	35.9	Very low	100 Å²	100	83.6 Å²	83.6	83%	0.826	44%	0.435	S	S	*	.	S	Bend	trans	70.4	138.2	174.1	0	0	0	0	0	117.1	Q86	A84-Q86 PolarHBondContact O-N 2.04Å
85	N	23.6	Very low	34.1	Very low	164 Å²	164	83 Å²	83	88%	0.877	43%	0.432	S	S	*	.	S	Bend	trans	-32.5	99.1	175.2	-75.1	-19.1	0	0	0	114.4
86	Q	23.2	Very low	33	Very low	141 Å²	141	82.4 Å²	82.4	66%	0.659	43%	0.428	S	S	*	.			trans	171.3	108	146.1	-96.5	168.4	20.8	0	0	107.4	A84 I88	A84-Q86 PolarHBondContact O-N 2.04Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 HydrophobicContact CB-CD1 4.25Å; Q86-I88 HydrophobicContact CB-CG1 3.94Å; Q86-I88 PolarHBondContact O-N 3.03Å
87	I	22.6	Very low	32	Very low	158 Å²	158	81 Å²	81	81%	0.81	42%	0.421	S	S	*	.			trans	-74.2	93	169.2	-62.3	172.9	0	0	0	106.4	A89	I87-A89 PolarHBondContact O-N 2.87Å
88	I	24.5	Very low	31.7	Very low	57 Å²	57	76.5 Å²	76.5	29%	0.292	41%	0.407	S	S	.	.			trans	-91.9	89.8	174.4	-55.6	179.5	0	0	0	107	Q86 F90 S122	Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 HydrophobicContact CB-CD1 4.25Å; Q86-I88 HydrophobicContact CB-CG1 3.94Å; Q86-I88 PolarHBondContact O-N 3.03Å; I88-F90 HydrophobicContact CG2-CD2 4.35Å; I88-F90 HydrophobicContact CG2-CE2 4.29Å; I88-F90 HydrophobicContact CG2-CZ 4.41Å; I88-F90 VanDerWaalsContact O-CD2 3.3Å; I88-F90 WeakPolarHBondContact O-CD2 3.36Å; I88-F90 PolarHBondContact O-N 3.15Å; I88-S122 WeakPolarHBondContact CD1-OG 3.48Å; I88-S122 WeakPolarHBondContact CG1-OG 2.88Å; I88-S122 VanDerWaalsContact CG2-OG 3.27Å; I88-S122 WeakPolarHBondContact CG2-OG 3.23Å
89	A	24.4	Very low	31.6	Very low	42 Å²	42	79.5 Å²	79.5	35%	0.347	42%	0.421	S	S	.	.			trans	-68.2	112.5	163.8	0	0	0	0	0	107.6	E32 I87 R91	E32-A89 WeakPolarHBondContact OE2-CB 3.28Å; I87-A89 PolarHBondContact O-N 2.87Å; A89-R91 PolarHBondContact O-N 3.44Å
90	F	27.2	Very low	31.5	Very low	61 Å²	61	72.9 Å²	72.9	27%	0.268	41%	0.412	S	S	.	.			trans	-72.3	117.8	178.5	-72.5	-95.2	0	0	0	109.2	R77 I88	R77-F90 HydrophobicContact CB-CB 4.44Å; R77-F90 VanDerWaalsContact CD-CG 3.49Å; R77-F90 HydrophobicContact CG-CD2 4.42Å; R77-F90 VanDerWaalsContact CZ-CD2 3.4Å; I88-F90 HydrophobicContact CG2-CD2 4.35Å; I88-F90 HydrophobicContact CG2-CE2 4.29Å; I88-F90 HydrophobicContact CG2-CZ 4.41Å; I88-F90 VanDerWaalsContact O-CD2 3.3Å; I88-F90 WeakPolarHBondContact O-CD2 3.36Å; I88-F90 PolarHBondContact O-N 3.15Å
91	R	30.7	Very low	31.8	Very low	45 Å²	45	76.5 Å²	76.5	17%	0.17	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	101.6	174.9	-68.9	-177.3	-169.7	158.1	12.3	108.1	F36 A89 L120	F36-R91 VanDerWaalsContact CD1-CZ 3.5Å; F36-R91 VanDerWaalsContact CD2-CZ 3.5Å; F36-R91 VanDerWaalsContact CE1-CZ 3.46Å; F36-R91 VanDerWaalsContact CZ-CZ 3.49Å; A89-R91 PolarHBondContact O-N 3.44Å; R91-L120 HydrophobicContact CB-CD1 4.24Å; R91-L120 PolarHBondContact O-N 3.19Å
92	T	32	Very low	31.7	Very low	4 Å²	4	74.2 Å²	74.2	3%	0.025	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.1	179	31	0	0	0	0	108.5	T75 F117 R118	T75-T92 WeakPolarHBondContact CB-OG1 3.15Å; T75-T92 WeakPolarHBondContact CG2-OG1 3.48Å; T75-T92 PolarHBondContact N-O 2.95Å; T75-T92 PolarHBondContact O-OG1 3.27Å; T75-T92 PolarHBondContact OG1-OG1 3.27Å; T92-F117 HydrophobicContact CG2-CD2 4.36Å; T92-F117 HydrophobicContact CG2-CE1 3.99Å; T92-F117 HydrophobicContact CG2-CE2 3.41Å; T92-F117 VanDerWaalsContact CG2-CE2 3.41Å; T92-F117 HydrophobicContact CG2-CZ 3.2Å; T92-R118 VanDerWaalsContact CA-O 3.22Å; T92-R118 WeakPolarHBondContact CA-O 3.31Å
93	V	36.4	Very low	32	Very low	1 Å²	1	72.5 Å²	72.5	1%	0.006	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.8	-176.5	-176.9	0	0	0	0	107.2	L38 V46 F63 T95 R118	L38-V93 HydrophobicContact CD1-CB 4.12Å; L38-V93 HydrophobicContact CD1-CG1 3.69Å; L38-V93 HydrophobicContact CD1-CG2 3.33Å; L38-V93 HydrophobicContact CD2-CG1 4.24Å; V46-V93 HydrophobicContact CG1-CG1 3.97Å; F63-V93 HydrophobicContact CE2-CG2 4.02Å; V93-T95 HydrophobicContact CG1-CG2 3.88Å; V93-R118 PolarHBondContact N-O 2.87Å; V93-R118 PolarHBondContact O-N 3.32Å
94	V	44.8	Very low	32.3	Very low	1 Å²	1	74.8 Å²	74.8	1%	0.006	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.9	168	179.6	0	0	0	0	109.4	C72 I73 T75 V115 S116 F117 L133 L143 M152	C72-V94 VanDerWaalsContact CA-O 3.28Å; C72-V94 WeakPolarHBondContact CA-O 3.02Å; I73-V94 HydrophobicContact CG2-CB 4.46Å; I73-V94 PolarHBondContact N-O 3.19Å; I73-V94 PolarHBondContact O-N 3.14Å; T75-V94 HydrophobicContact CG2-CG2 4.21Å; V94-V115 HydrophobicContact CG1-CG1 3.36Å; V94-S116 VanDerWaalsContact CA-O 3.23Å; V94-S116 WeakPolarHBondContact CA-O 3.38Å; V94-F117 HydrophobicContact CG2-CB 4.4Å; V94-F117 HydrophobicContact CG2-CD2 4.08Å; V94-L133 HydrophobicContact CG2-CD1 4.29Å; V94-L143 HydrophobicContact CB-CD1 4.06Å; V94-L143 HydrophobicContact CG1-CD1 3.74Å; V94-L143 HydrophobicContact CG1-CD2 4.11Å; V94-L143 VanDerWaalsContact O-CD1 3.23Å; V94-L143 WeakPolarHBondContact O-CD1 3.37Å; V94-M152 HydrophobicContact CB-SD 4.12Å; V94-M152 HydrophobicContact CG2-CE 3.38Å; V94-M152 HydrophobicContact CG2-SD 3.4Å; V94-M152 WeakPolarHBondContact CG2-SD 3.38Å
95	T	43.3	Very low	32.6	Very low	0 Å²	0	77.6 Å²	77.6	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.5	-176.7	59.1	0	0	0	0	110.1	V46 H65 V69 V93 S116	V46-T95 HydrophobicContact CB-CG2 4.3Å; V46-T95 HydrophobicContact CG2-CG2 3.58Å; H65-T95 PolarHBondContact CE1-OG1 2.94Å; H65-T95 PolarHBondContact ND1-OG1 3.48Å; H65-T95 WeakPolarHBondContact NE2-CG2 3.41Å; H65-T95 PolarHBondContact NE2-OG1 2.65Å; V69-T95 HydrophobicContact CG1-CG2 4.46Å; V93-T95 HydrophobicContact CG1-CG2 3.88Å; T95-S116 PolarHBondContact N-O 3.14Å; T95-S116 PolarHBondContact O-N 3.24Å
96	A	45	Very low	32.9	Very low	0 Å²	0	78.2 Å²	78.2	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107	177.5	0	0	0	0	0	109.8	V69 L70 D71 V140 L143	V69-A96 CarbonylContact C-O 3.51Å; V69-A96 WeakPolarHBondContact CA-O 3.48Å; L70-A96 PolarHBondContact N-O 2.75Å; D71-A96 PolarHBondContact O-N 3.45Å; A96-V140 HydrophobicContact CB-CB 3.56Å; A96-V140 HydrophobicContact CB-CG1 3.45Å; A96-V140 VanDerWaalsContact CB-CG1 3.45Å; A96-V140 WeakPolarHBondContact CB-O 3.43Å; A96-L143 HydrophobicContact CB-CD1 4.12Å; A96-L143 HydrophobicContact CB-CD2 4.5Å; A96-L143 HydrophobicContact CB-CG 4.23Å
97	A	39.9	Very low	33.2	Very low	13 Å²	13	76 Å²	76	11%	0.107	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.9	-176.6	0	0	0	0	0	112.7	A67 P68 A113	A67-A97 HydrophobicContact CB-CB 4.28Å; P68-A97 VanDerWaalsContact O-CA 3.31Å; P68-A97 WeakPolarHBondContact O-CA 3.47Å; A97-A113 WeakPolarHBondContact O-CB 3.5Å
98	A	42.4	Very low	33.6	Very low	14 Å²	14	74 Å²	74	12%	0.116	42%	0.417	C	S	.	.			trans	-117.6	107.6	178.1	0	0	0	0	0	111.3	A67 P68 L70 A100 P139	A67-A98 WeakPolarHBondContact CB-O 3.38Å; P68-A98 WeakPolarHBondContact CD-O 3.26Å; P68-A98 PolarHBondContact O-N 2.93Å; L70-A98 HydrophobicContact CD1-CB 3.82Å; L70-A98 HydrophobicContact CG-CB 4.13Å; A98-A100 PolarHBondContact O-N 3.24Å; A98-P139 HydrophobicContact CB-CB 3.75Å; A98-P139 HydrophobicContact CB-CG 4.05Å
99	Q	37.4	Very low	33.8	Very low	100 Å²	100	76.6 Å²	76.6	47%	0.467	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-73.7	123.1	-177.9	-153.4	156.3	13.4	0	0	111.5	A67	A67-Q99 HydrophobicContact CB-CB 4.42Å
100	A	34.3	Very low	34.2	Very low	78 Å²	78	84.1 Å²	84.1	65%	0.645	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-80.8	135.9	171.7	0	0	0	0	0	110.3	A98 I102	A98-A100 PolarHBondContact O-N 3.24Å; A100-I102 PolarHBondContact O-N 3.12Å
101	Q	33.7	Very low	34.3	Very low	186 Å²	186	84.5 Å²	84.5	87%	0.869	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-70.9	121.7	-178.3	-156.5	170.4	3.5	0	0	110.4
102	I	27.5	Very low	34.5	Very low	142 Å²	142	89.9 Å²	89.9	73%	0.728	49%	0.485	S	S	*	.			trans	-97.1	112	166.1	-57.1	172.9	0	0	0	107.2	A100 L104	A100-I102 PolarHBondContact O-N 3.12Å; I102-L104 VanDerWaalsContact C-N 3.32Å; I102-L104 HydrophobicContact CG2-CB 4.32Å; I102-L104 HydrophobicContact CG2-CD1 4.42Å; I102-L104 PolarHBondContact O-N 3.42Å
103	P	31.1	Very low	34.8	Very low	118 Å²	118	90 Å²	90	77%	0.766	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	73.1	-177.6	34.4	-32.2	0	0	0	109.8
104	L	31.1	Very low	35.2	Very low	146 Å²	146	92.9 Å²	92.9	76%	0.764	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	-11	175.6	-87.4	169.2	0	0	0	116.8	I102	I102-L104 VanDerWaalsContact C-N 3.32Å; I102-L104 HydrophobicContact CG2-CB 4.32Å; I102-L104 HydrophobicContact CG2-CD1 4.42Å; I102-L104 PolarHBondContact O-N 3.42Å
105	L	30.3	Very low	35.2	Very low	159 Å²	159	92.9 Å²	92.9	83%	0.832	50%	0.502	S	S	*	.			trans	-138.1	121	176.8	-79.6	155.5	0	0	0	111.5	T107	L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.25Å
106	N	28.4	Very low	35.2	Very low	177 Å²	177	93 Å²	93	95%	0.947	50%	0.502	S	S	*	.			trans	-78.7	77.1	-176.3	-150.4	12.8	0	0	0	109.5
107	T	30.5	Very low	34.9	Very low	95 Å²	95	94.1 Å²	94.1	58%	0.583	51%	0.507	S	S	*	.			trans	-134.5	133.2	169.3	52.2	0	0	0	0	109.4	L105 T109	L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.25Å; T107-T109 PolarHBondContact O-N 2.77Å; T107-T109 PolarHBondContact O-OG1 3.08Å
108	S	31.4	Very low	35.3	Very low	116 Å²	116	94.6 Å²	94.6	81%	0.811	51%	0.506	S	S	*	.			trans	-70.3	59.9	178.9	58.7	0	0	0	0	112.2
109	T	28.1	Very low	35.2	Very low	110 Å²	110	95.2 Å²	95.2	68%	0.675	51%	0.51	S	S	*	.			trans	-92.5	111.3	174.8	48.9	0	0	0	0	107.9	T107 S111	T107-T109 PolarHBondContact O-N 2.77Å; T107-T109 PolarHBondContact O-OG1 3.08Å; T109-S111 PolarHBondContact O-N 3.2Å
110	W	31.8	Very low	35.3	Very low	201 Å²	201	92.5 Å²	92.5	76%	0.761	50%	0.498	S	S	*	.			trans	-62.1	120.1	176	-63.5	60.7	0	0	0	107.5	W112	W110-W112 VanDerWaalsContact CB-NE1 3.33Å
111	S	31.2	Very low	35.3	Very low	69 Å²	69	91.9 Å²	91.9	48%	0.483	49%	0.493	S	S	.	.			trans	-80.1	123.4	177.2	170	0	0	0	0	109.1	T109	T109-S111 PolarHBondContact O-N 3.2Å
112	W	33.6	Very low	35.4	Very low	157 Å²	157	86.6 Å²	86.6	60%	0.595	48%	0.477	S	S	*	.			trans	-116.1	124.2	-172.7	-68.8	24.1	0	0	0	109.1	W110 L114 A135	W110-W112 VanDerWaalsContact CB-NE1 3.33Å; W112-L114 PolarHBondContact O-N 3.2Å; W112-A135 HydrophobicContact CB-CB 4.05Å; W112-A135 HydrophobicContact CD2-CB 4.38Å; W112-A135 HydrophobicContact CE3-CB 3.69Å
113	A	39	Very low	35.7	Very low	6 Å²	6	83.8 Å²	83.8	5%	0.05	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.7	174.2	0	0	0	0	0	109.5	A97 A135 H136 G138 V140	A97-A113 WeakPolarHBondContact O-CB 3.5Å; A113-A135 CarbonylContact O-C 3.54Å; A113-A135 VanDerWaalsContact O-CA 3.27Å; A113-A135 WeakPolarHBondContact O-CA 3.2Å; A113-H136 HydrophobicContact CB-CB 4.38Å; A113-H136 PolarHBondContact N-O 2.75Å; A113-H136 PolarHBondContact O-N 3.38Å; A113-G138 WeakPolarHBondContact CB-O 3.5Å; A113-V140 HydrophobicContact CB-CG2 4.19Å
114	L	45.2	Very low	35.6	Very low	63 Å²	63	81.9 Å²	81.9	33%	0.33	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139	-173.9	-65.7	178.1	0	0	0	112.2	W112 I132 A135	W112-L114 PolarHBondContact O-N 3.2Å; L114-I132 HydrophobicContact CD1-CD1 3.97Å; L114-I132 HydrophobicContact CD2-CG2 3.87Å; L114-A135 HydrophobicContact CD2-CB 3.88Å
115	V	44	Very low	35.8	Very low	1 Å²	1	82.9 Å²	82.9	1%	0.006	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	99.6	162.5	180	0	0	0	0	106.2	V94 L133 G134 V140 W164	V94-V115 HydrophobicContact CG1-CG1 3.36Å; V115-L133 HydrophobicContact CG1-CB 4.43Å; V115-L133 HydrophobicContact CG1-CD1 4.32Å; V115-L133 PolarHBondContact O-N 3.28Å; V115-G134 PolarHBondContact N-O 3.11Å; V115-V140 HydrophobicContact CG2-CG2 3.98Å; V115-W164 HydrophobicContact CB-CZ2 4.45Å; V115-W164 HydrophobicContact CG2-CZ2 4.13Å
116	S	44.2	Very low	36.2	Very low	2 Å²	2	81.6 Å²	81.6	1%	0.014	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.9	-179.1	-172.4	0	0	0	0	110.6	V94 T95 E130	V94-S116 VanDerWaalsContact CA-O 3.23Å; V94-S116 WeakPolarHBondContact CA-O 3.38Å; T95-S116 PolarHBondContact N-O 3.14Å; T95-S116 PolarHBondContact O-N 3.24Å; S116-E130 WeakPolarHBondContact CB-OE1 3.47Å; S116-E130 VanDerWaalsContact OG-CD 3.3Å; S116-E130 WeakPolarHBondContact OG-CG 3.42Å; S116-E130 PolarHBondContact OG-OE1 3.02Å
117	F	38.7	Very low	36.3	Very low	24 Å²	24	83.1 Å²	83.1	11%	0.105	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122	173.3	172.6	-93	0	0	0	109.2	T75 T92 V94 T131 L133 M152 P166	T75-F117 HydrophobicContact CG2-CE2 4.42Å; T92-F117 HydrophobicContact CG2-CD2 4.36Å; T92-F117 HydrophobicContact CG2-CE1 3.99Å; T92-F117 HydrophobicContact CG2-CE2 3.41Å; T92-F117 VanDerWaalsContact CG2-CE2 3.41Å; T92-F117 HydrophobicContact CG2-CZ 3.2Å; V94-F117 HydrophobicContact CG2-CB 4.4Å; V94-F117 HydrophobicContact CG2-CD2 4.08Å; F117-T131 WeakPolarHBondContact CA-O 3.21Å; F117-T131 VanDerWaalsContact CB-O 3.27Å; F117-T131 WeakPolarHBondContact CB-O 3.15Å; F117-T131 PolarHBondContact N-O 2.96Å; F117-T131 PolarHBondContact O-N 3.48Å; F117-T131 VanDerWaalsContact O-O 3.05Å; F117-L133 HydrophobicContact CB-CD1 3.78Å; F117-L133 HydrophobicContact CB-CD2 3.72Å; F117-L133 HydrophobicContact CB-CG 3.51Å; F117-L133 HydrophobicContact CD2-CD1 4.37Å; F117-L133 HydrophobicContact CG-CD1 4.45Å; F117-L133 HydrophobicContact CG-CD2 4.18Å; F117-L133 HydrophobicContact CG-CG 4.4Å; F117-M152 HydrophobicContact CD2-CE 4.18Å; F117-M152 HydrophobicContact CE2-CE 4.48Å; F117-P166 HydrophobicContact CD2-CB 3.75Å; F117-P166 HydrophobicContact CE2-CB 3.31Å; F117-P166 HydrophobicContact CZ-CB 3.96Å
118	R	47.2	Very low	37.2	Very low	22 Å²	22	82 Å²	82	8%	0.083	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.3	174.1	-66.2	-176	-177.7	-90.3	7.2	109.4	F63 M64 T92 V93 L129 E130	F63-R118 HydrophobicContact CE1-CB 4.47Å; M64-R118 PolarHBondContact O-NH2 3.42Å; T92-R118 VanDerWaalsContact CA-O 3.22Å; T92-R118 WeakPolarHBondContact CA-O 3.31Å; V93-R118 PolarHBondContact N-O 2.87Å; V93-R118 PolarHBondContact O-N 3.32Å; R118-L129 WeakPolarHBondContact CA-O 3.22Å; R118-E130 HydrophobicContact CG-CB 4.1Å; R118-E130 HydrophobicContact CG-CG 3.88Å; R118-E130 IonicContact CZ-OE1 3.79Å; R118-E130 IonicContact CZ-OE2 3.65Å; R118-E130 IonicContact NE-OE1 3.5Å; R118-E130 PolarHBondContact NE-OE1 2.79Å; R118-E130 IonicContact NE-OE2 3.81Å; R118-E130 IonicContact NH1-OE1 3.54Å; R118-E130 IonicContact NH1-OE2 2.79Å; R118-E130 PolarHBondContact NH1-OE2 2.87Å; R118-E130 IonicContact NH2-OE1 2.7Å; R118-E130 PolarHBondContact NH2-OE1 3.47Å; R118-E130 IonicContact NH2-OE2 3.24Å; R118-E130 PolarHBondContact NH2-OE2 3.28Å
119	S	40.1	Very low	37.9	Very low	28 Å²	28	82 Å²	82	20%	0.196	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.6	176.7	175.1	0	0	0	0	110.5	L129	S119-L129 PolarHBondContact N-O 3Å
120	L	40	Very low	39.2	Very low	42 Å²	42	80.7 Å²	80.7	22%	0.22	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.1	171.8	-70.3	164.2	0	0	0	110.1	L48 T61 F63 R91 V128	L48-L120 HydrophobicContact CD2-CD1 4.29Å; T61-L120 HydrophobicContact CG2-CD1 4.25Å; F63-L120 HydrophobicContact CE1-CD2 4.35Å; F63-L120 HydrophobicContact CZ-CD1 3.98Å; F63-L120 HydrophobicContact CZ-CD2 4.18Å; F63-L120 HydrophobicContact CZ-CG 4.15Å; R91-L120 HydrophobicContact CB-CD1 4.24Å; R91-L120 PolarHBondContact O-N 3.19Å; L120-V128 HydrophobicContact CD2-CG2 4.19Å
121	A	33.4	Very low	40.5	Very low	66 Å²	66	74 Å²	74	55%	0.545	41%	0.407	S	S	.	.			trans	-90.8	130.8	169.1	0	0	0	0	0	110	A123	A121-A123 PolarHBondContact O-N 3.44Å
122	S	37.3	Very low	42.1	Very low	74 Å²	74	75 Å²	75	52%	0.517	41%	0.406	S	S	.	.	S	Bend	trans	-92	10.5	-165.6	76.9	0	0	0	0	116.5	I88	I88-S122 WeakPolarHBondContact CD1-OG 3.48Å; I88-S122 WeakPolarHBondContact CG1-OG 2.88Å; I88-S122 VanDerWaalsContact CG2-OG 3.27Å; I88-S122 WeakPolarHBondContact CG2-OG 3.23Å
123	A	32.7	Very low	43.8	Very low	83 Å²	83	68 Å²	68	69%	0.686	38%	0.38	S	S	*	.	S	Bend	trans	-99.3	-19.5	-174.8	0	0	0	0	0	114.5	A121	A121-A123 PolarHBondContact O-N 3.44Å
124	S	30.6	Very low	45.3	Very low	78 Å²	78	68.6 Å²	68.6	55%	0.545	39%	0.387	S	S	.	.			trans	-157.2	120.7	175.3	53.8	0	0	0	0	108.8	D126	S124-D126 PolarHBondContact O-N 3.03Å
125	L	35.2	Very low	46.7	Very low	167 Å²	167	66.3 Å²	66.3	87%	0.874	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	33.3	-166.1	-148.1	91.6	0	0	0	114.2
126	D	36.8	Very low	48.3	Very low	132 Å²	132	66.4 Å²	66.4	71%	0.706	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-8.5	-168	-65.5	-26.2	0	0	0	114.8	S124	S124-D126 PolarHBondContact O-N 3.03Å
127	W	32.3	Very low	50	Low	210 Å²	210	73.4 Å²	73.4	80%	0.795	41%	0.41	S	S	*	.			trans	-133.6	104	-179.1	-57.7	93.1	0	0	0	111.9
128	V	47.8	Very low	51.8	Low	70 Å²	70	72.8 Å²	72.8	42%	0.424	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	108.5	162.9	176.1	0	0	0	0	107.1	F63 L120 E130	F63-V128 HydrophobicContact CD1-CG1 4.09Å; F63-V128 HydrophobicContact CE1-CG1 3.76Å; F63-V128 HydrophobicContact CE1-CG2 4.31Å; L120-V128 HydrophobicContact CD2-CG2 4.19Å; V128-E130 PolarHBondContact O-N 3.28Å
129	L	46.2	Very low	53.4	Low	118 Å²	118	73.5 Å²	73.5	62%	0.618	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	107.3	170.6	-88.6	158.8	0	0	0	108.7	R118 S119	R118-L129 WeakPolarHBondContact CA-O 3.22Å; S119-L129 PolarHBondContact N-O 3Å
130	E	56.1	Low	55.5	Low	81 Å²	81	72.2 Å²	72.2	38%	0.379	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.9	166	-173.6	170.2	-159.2	0	0	109.2	H65 S116 R118 V128	H65-E130 IonicContact CE1-OE1 3.65Å; S116-E130 WeakPolarHBondContact CB-OE1 3.47Å; S116-E130 VanDerWaalsContact OG-CD 3.3Å; S116-E130 WeakPolarHBondContact OG-CG 3.42Å; S116-E130 PolarHBondContact OG-OE1 3.02Å; R118-E130 HydrophobicContact CG-CB 4.1Å; R118-E130 HydrophobicContact CG-CG 3.88Å; R118-E130 IonicContact CZ-OE1 3.79Å; R118-E130 IonicContact CZ-OE2 3.65Å; R118-E130 IonicContact NE-OE1 3.5Å; R118-E130 PolarHBondContact NE-OE1 2.79Å; R118-E130 IonicContact NE-OE2 3.81Å; R118-E130 IonicContact NH1-OE1 3.54Å; R118-E130 IonicContact NH1-OE2 2.79Å; R118-E130 PolarHBondContact NH1-OE2 2.87Å; R118-E130 IonicContact NH2-OE1 2.7Å; R118-E130 PolarHBondContact NH2-OE1 3.47Å; R118-E130 IonicContact NH2-OE2 3.24Å; R118-E130 PolarHBondContact NH2-OE2 3.28Å; V128-E130 PolarHBondContact O-N 3.28Å
131	T	58.1	Low	57.8	Low	61 Å²	61	72.5 Å²	72.5	37%	0.374	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.2	176.2	-47.7	0	0	0	0	107.4	F117 L133	F117-T131 WeakPolarHBondContact CA-O 3.21Å; F117-T131 VanDerWaalsContact CB-O 3.27Å; F117-T131 WeakPolarHBondContact CB-O 3.15Å; F117-T131 PolarHBondContact N-O 2.96Å; F117-T131 PolarHBondContact O-N 3.48Å; F117-T131 VanDerWaalsContact O-O 3.05Å; T131-L133 PolarHBondContact O-N 2.76Å
132	I	66.2	Low	60.4	Low	90 Å²	90	69.6 Å²	69.6	46%	0.462	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.9	174	-63.1	166	0	0	0	107.5	L114 G134	L114-I132 HydrophobicContact CD1-CD1 3.97Å; L114-I132 HydrophobicContact CD2-CG2 3.87Å; I132-G134 VanDerWaalsContact C-N 3.33Å
133	L	69.2	Low	62.8	Low	9 Å²	9	66.5 Å²	66.5	5%	0.047	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-31.4	178.2	-63.1	178	0	0	0	111.2	V94 V115 F117 T131 M152 W164	V94-L133 HydrophobicContact CG2-CD1 4.29Å; V115-L133 HydrophobicContact CG1-CB 4.43Å; V115-L133 HydrophobicContact CG1-CD1 4.32Å; V115-L133 PolarHBondContact O-N 3.28Å; F117-L133 HydrophobicContact CB-CD1 3.78Å; F117-L133 HydrophobicContact CB-CD2 3.72Å; F117-L133 HydrophobicContact CB-CG 3.51Å; F117-L133 HydrophobicContact CD2-CD1 4.37Å; F117-L133 HydrophobicContact CG-CD1 4.45Å; F117-L133 HydrophobicContact CG-CD2 4.18Å; F117-L133 HydrophobicContact CG-CG 4.4Å; T131-L133 PolarHBondContact O-N 2.76Å; L133-M152 HydrophobicContact CD1-CE 4.18Å; L133-W164 HydrophobicContact CB-CD2 4.29Å; L133-W164 HydrophobicContact CB-CE3 3.84Å; L133-W164 HydrophobicContact CB-CZ3 4.44Å; L133-W164 HydrophobicContact CD1-CB 4.01Å; L133-W164 HydrophobicContact CD1-CG 4.48Å; L133-W164 WeakPolarHBondContact O-CZ3 3.48Å
134	G	70.7	Confident	65.5	Low	19 Å²	19	62.8 Å²	62.8	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-159.2	174	0	0	0	0	0	111.7	V115 I132	V115-G134 PolarHBondContact N-O 3.11Å; I132-G134 VanDerWaalsContact C-N 3.33Å
135	A	73.5	Confident	68	Low	16 Å²	16	60.3 Å²	60.3	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.1	-173	0	0	0	0	0	113.4	W112 A113 L114 K162	W112-A135 HydrophobicContact CB-CB 4.05Å; W112-A135 HydrophobicContact CD2-CB 4.38Å; W112-A135 HydrophobicContact CE3-CB 3.69Å; A113-A135 CarbonylContact O-C 3.54Å; A113-A135 VanDerWaalsContact O-CA 3.27Å; A113-A135 WeakPolarHBondContact O-CA 3.2Å; L114-A135 HydrophobicContact CD2-CB 3.88Å; A135-K162 PolarHBondContact O-NZ 2.91Å
136	H	78	Confident	70.4	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.014	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	157.2	167.5	-81.7	-92	0	0	0	110.4	A113 G138 V140 S154 S156 D158 T160 K162 W164	A113-H136 HydrophobicContact CB-CB 4.38Å; A113-H136 PolarHBondContact N-O 2.75Å; A113-H136 PolarHBondContact O-N 3.38Å; H136-G138 WeakPolarHBondContact CB-O 3.25Å; H136-G138 PolarHBondContact O-N 3.27Å; H136-V140 HydrophobicContact CB-CG2 3.78Å; H136-V140 WeakPolarHBondContact CD2-CG2 3.4Å; H136-S154 PolarHBondContact NE2-OG 2.95Å; H136-S156 WeakPolarHBondContact ND1-CB 3.43Å; H136-D158 WeakPolarHBondContact CA-OD2 3.29Å; H136-D158 VanDerWaalsContact CB-OD2 3.22Å; H136-D158 WeakPolarHBondContact CB-OD2 3.35Å; H136-D158 IonicContact CG-OD2 2.85Å; H136-D158 IonicContact ND1-OD1 3.12Å; H136-D158 PolarHBondContact ND1-OD1 3.01Å; H136-D158 IonicContact ND1-OD2 3.29Å; H136-D158 PolarHBondContact ND1-OD2 3.12Å; H136-T160 PolarHBondContact CE1-OG1 3.11Å; H136-T160 VanDerWaalsContact CE1-OG1 3.29Å; H136-T160 PolarHBondContact ND1-OG1 3.31Å; H136-T160 VanDerWaalsContact ND1-OG1 3.13Å; H136-K162 VanDerWaalsContact CE1-CG 3.48Å; H136-K162 WeakPolarHBondContact CE1-CG 3.23Å; H136-W164 AromaticContact NE2-CZ2 3.94Å
137	E	79.3	Confident	72.3	Confident	148 Å²	148	48.9 Å²	48.9	69%	0.692	25%	0.253	S	S	*	.	S	Bend	trans	-81.2	-3.1	178	-63.1	-174.5	173.3	0	0	112.4	D158	E137-D158 HydrophobicContact CB-CB 4Å; E137-D158 PolarHBondContact N-OD2 2.84Å
138	G	76.9	Confident	74.5	Confident	12 Å²	12	42.9 Å²	42.9	12%	0.124	24%	0.236	C	C	.	.	S	Bend	trans	-152.6	170.9	178.3	0	0	0	0	0	111.4	A113 H136 V140 S156	A113-G138 WeakPolarHBondContact CB-O 3.5Å; H136-G138 WeakPolarHBondContact CB-O 3.25Å; H136-G138 PolarHBondContact O-N 3.27Å; G138-V140 PolarHBondContact O-N 3.02Å; G138-S156 PolarHBondContact O-OG 3.09Å
139	P	80.8	Confident	76	Confident	37 Å²	37	43.2 Å²	43.2	24%	0.24	24%	0.235	C	C	.	.			trans	-51.7	126.3	-176	-31.1	37.6	0	0	0	113.3	L70 A98 R141 S156 W157	L70-P139 HydrophobicContact CD1-CB 4.16Å; A98-P139 HydrophobicContact CB-CB 3.75Å; A98-P139 HydrophobicContact CB-CG 4.05Å; P139-R141 PolarHBondContact O-N 3.3Å; P139-S156 WeakPolarHBondContact O-CA 3.32Å; P139-S156 PolarHBondContact O-OG 2.68Å; P139-S156 VanDerWaalsContact O-OG 3.05Å; P139-W157 HydrophobicContact CB-CD2 4.16Å; P139-W157 HydrophobicContact CB-CE3 3.8Å; P139-W157 HydrophobicContact CB-CZ3 4.26Å; P139-W157 HydrophobicContact CG-CD2 4.5Å; P139-W157 HydrophobicContact CG-CE3 3.73Å; P139-W157 HydrophobicContact CG-CZ3 4.18Å; P139-W157 PolarHBondContact O-N 3.38Å
140	V	85.7	Confident	77.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	114.1	173	-178.6	0	0	0	0	107.8	L70 A96 A113 V115 H136 G138 L143	L70-V140 WeakPolarHBondContact CD1-O 3.42Å; A96-V140 HydrophobicContact CB-CB 3.56Å; A96-V140 HydrophobicContact CB-CG1 3.45Å; A96-V140 VanDerWaalsContact CB-CG1 3.45Å; A96-V140 WeakPolarHBondContact CB-O 3.43Å; A113-V140 HydrophobicContact CB-CG2 4.19Å; V115-V140 HydrophobicContact CG2-CG2 3.98Å; H136-V140 HydrophobicContact CB-CG2 3.78Å; H136-V140 WeakPolarHBondContact CD2-CG2 3.4Å; G138-V140 PolarHBondContact O-N 3.02Å; V140-L143 HydrophobicContact CG1-CD2 4.06Å
141	R	86.4	Confident	78.9	Confident	49 Å²	49	35.5 Å²	35.5	19%	0.185	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-35.9	-172.3	172.3	58.2	-166.9	107.2	-5.6	112.7	P139 G155 Y182	P139-R141 PolarHBondContact O-N 3.3Å; R141-G155 PolarHBondContact N-O 3.36Å; R141-Y182 WeakPolarHBondContact CG-O 3.46Å
142	C	87.9	Confident	80.2	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.034	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	149.3	-172.9	56.2	0	0	0	0	111.7	D71 G155 M184	D71-C142 VanDerWaalsContact OD2-CA 3.26Å; D71-C142 WeakPolarHBondContact OD2-CA 3.25Å; C142-G155 PolarHBondContact N-O 3.41Å; C142-G155 PolarHBondContact O-N 3.02Å; C142-M184 VanDerWaalsContact SG-CB 3.58Å
143	L	89.5	Confident	81.3	Confident	9 Å²	9	28.5 Å²	28.5	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.2	176.1	-62.5	171.7	0	0	0	108.8	D71 I73 V94 A96 V140 A153	D71-L143 HydrophobicContact CB-CG 4.42Å; D71-L143 PolarHBondContact OD2-N 3.01Å; I73-L143 HydrophobicContact CB-CB 4.35Å; I73-L143 HydrophobicContact CG2-CB 3.86Å; I73-L143 HydrophobicContact CG2-CD1 4.27Å; V94-L143 HydrophobicContact CB-CD1 4.06Å; V94-L143 HydrophobicContact CG1-CD1 3.74Å; V94-L143 HydrophobicContact CG1-CD2 4.11Å; V94-L143 VanDerWaalsContact O-CD1 3.23Å; V94-L143 WeakPolarHBondContact O-CD1 3.37Å; A96-L143 HydrophobicContact CB-CD1 4.12Å; A96-L143 HydrophobicContact CB-CD2 4.5Å; A96-L143 HydrophobicContact CB-CG 4.23Å; V140-L143 HydrophobicContact CG1-CD2 4.06Å; L143-A153 WeakPolarHBondContact CA-O 3.2Å
144	S	88.5	Confident	82.2	Confident	4 Å²	4	28.1 Å²	28.1	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	132.7	174	-173.8	0	0	0	0	109.6	A153 A186	S144-A153 PolarHBondContact N-O 2.99Å; S144-A153 PolarHBondContact O-N 3.48Å; S144-A186 WeakPolarHBondContact OG-CB 3.49Å; S144-A186 PolarHBondContact OG-N 3.01Å
145	N	83.4	Confident	83.2	Confident	27 Å²	27	27.2 Å²	27.2	14%	0.144	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.9	179.8	-176	26.3	0	0	0	109.2	I73 F74 V76 P147 L151	I73-N145 HydrophobicContact CD1-CB 3.66Å; I73-N145 HydrophobicContact CG1-CB 4.17Å; F74-N145 PolarHBondContact O-ND2 2.71Å; V76-N145 PolarHBondContact N-ND2 3.43Å; N145-P147 WeakPolarHBondContact O-CD 3.06Å; N145-L151 PolarHBondContact OD1-O 2.91Å
146	L	86.2	Confident	83.9	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	77.7	-179.3	-57.2	179.4	0	0	0	109.2	N148 L149 G150 L151 A153 L163 A186 L191 L205	L146-N148 VanDerWaalsContact C-N 3.28Å; L146-N148 PolarHBondContact O-N 3.4Å; L146-L149 PolarHBondContact O-N 3.34Å; L146-L149 VanDerWaalsContact O-N 3.13Å; L146-G150 PolarHBondContact O-N 3.01Å; L146-L151 WeakPolarHBondContact CA-O 3.21Å; L146-L151 HydrophobicContact CB-CB 4.33Å; L146-L151 WeakPolarHBondContact CB-O 3.37Å; L146-L151 HydrophobicContact CD1-CB 4.3Å; L146-L151 PolarHBondContact N-O 3.06Å; L146-L151 PolarHBondContact O-N 2.84Å; L146-A153 HydrophobicContact CD1-CB 4.3Å; L146-L163 HydrophobicContact CD1-CD2 3.88Å; L146-A186 HydrophobicContact CD2-CB 3.36Å; L146-L191 HydrophobicContact CD2-CD1 4.42Å; L146-L205 HydrophobicContact CD1-CD1 4.16Å; L146-L205 HydrophobicContact CD1-CD2 3.66Å; L146-L205 HydrophobicContact CD2-CD1 3.66Å; L146-L205 HydrophobicContact CD2-CD2 4.31Å; L146-L205 HydrophobicContact CG-CD1 4.44Å
147	P	75.3	Confident	84.4	Confident	54 Å²	54	31 Å²	31	35%	0.351	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-60.1	-38.5	-171.4	23.8	-33.9	0	0	0	112.3	M78 N145 L149 G150	M78-P147 VanDerWaalsContact CE-O 3.28Å; M78-P147 WeakPolarHBondContact CE-O 3.48Å; N145-P147 WeakPolarHBondContact O-CD 3.06Å; P147-L149 PolarHBondContact O-N 2.97Å; P147-G150 PolarHBondContact O-N 2.89Å; P147-G150 VanDerWaalsContact O-N 3.15Å
148	N	78	Confident	84.8	Confident	84 Å²	84	25.4 Å²	25.4	45%	0.449	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-59.8	-31.8	-179.6	-67.3	-18.7	0	0	0	113.4	L146 G188	L146-N148 VanDerWaalsContact C-N 3.28Å; L146-N148 PolarHBondContact O-N 3.4Å; N148-G188 PolarHBondContact ND2-O 3.4Å
149	L	81.1	Confident	85.7	Confident	77 Å²	77	28.8 Å²	28.8	40%	0.403	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-101.3	-10.6	-179.7	-62.8	177.5	0	0	0	112.6	L146 P147 L151 L205	L146-L149 PolarHBondContact O-N 3.34Å; L146-L149 VanDerWaalsContact O-N 3.13Å; P147-L149 PolarHBondContact O-N 2.97Å; L149-L151 HydrophobicContact CB-CB 4.21Å; L149-L151 HydrophobicContact CB-CD1 4.05Å; L149-L151 HydrophobicContact CB-CG 3.91Å; L149-L151 HydrophobicContact CD1-CD1 4.35Å; L149-L151 PolarHBondContact O-N 3.41Å; L149-L205 HydrophobicContact CD1-CB 3.85Å; L149-L205 HydrophobicContact CD1-CD1 4.37Å
150	G	78.6	Confident	86.2	Confident	11 Å²	11	27.7 Å²	27.7	11%	0.113	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	23.7	-169.6	0	0	0	0	0	113.3	L146 P147 P166	L146-G150 PolarHBondContact O-N 3.01Å; P147-G150 PolarHBondContact O-N 2.89Å; P147-G150 VanDerWaalsContact O-N 3.15Å; G150-P166 WeakPolarHBondContact O-CD 3.21Å
151	L	84.6	Confident	86.6	Confident	25 Å²	25	27.7 Å²	27.7	13%	0.131	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	171.1	-178.6	-62	-178.9	0	0	0	110.8	N145 L146 L149 W164 D165 V172	N145-L151 PolarHBondContact OD1-O 2.91Å; L146-L151 WeakPolarHBondContact CA-O 3.21Å; L146-L151 HydrophobicContact CB-CB 4.33Å; L146-L151 WeakPolarHBondContact CB-O 3.37Å; L146-L151 HydrophobicContact CD1-CB 4.3Å; L146-L151 PolarHBondContact N-O 3.06Å; L146-L151 PolarHBondContact O-N 2.84Å; L149-L151 HydrophobicContact CB-CB 4.21Å; L149-L151 HydrophobicContact CB-CD1 4.05Å; L149-L151 HydrophobicContact CB-CG 3.91Å; L149-L151 HydrophobicContact CD1-CD1 4.35Å; L149-L151 PolarHBondContact O-N 3.41Å; L151-W164 WeakPolarHBondContact CA-O 2.84Å; L151-D165 HydrophobicContact CD2-CB 3.7Å; L151-V172 HydrophobicContact CD2-CG2 3.99Å
152	M	84.7	Confident	86.7	Confident	5 Å²	5	27.1 Å²	27.1	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.9	167.7	-72.7	-178.1	-82.4	0	0	110.8	I73 T75 V94 F117 L133 L163 W164 P166	I73-M152 HydrophobicContact CG2-SD 4.34Å; T75-M152 HydrophobicContact CG2-CE 3.49Å; T75-M152 VanDerWaalsContact CG2-CE 3.49Å; T75-M152 HydrophobicContact CG2-SD 3.28Å; T75-M152 WeakPolarHBondContact CG2-SD 3.24Å; V94-M152 HydrophobicContact CB-SD 4.12Å; V94-M152 HydrophobicContact CG2-CE 3.38Å; V94-M152 HydrophobicContact CG2-SD 3.4Å; V94-M152 WeakPolarHBondContact CG2-SD 3.38Å; F117-M152 HydrophobicContact CD2-CE 4.18Å; F117-M152 HydrophobicContact CE2-CE 4.48Å; L133-M152 HydrophobicContact CD1-CE 4.18Å; M152-L163 CarbonylContact O-C 3.58Å; M152-L163 WeakPolarHBondContact O-CA 3.21Å; M152-W164 PolarHBondContact N-O 2.83Å; M152-W164 PolarHBondContact O-N 2.68Å; M152-P166 HydrophobicContact CE-CB 3.57Å; M152-P166 HydrophobicContact CE-CG 3.78Å
153	A	89.5	Confident	86.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.9	173.2	0	0	0	0	0	110.3	L143 S144 L146 K162 L163 M184 L191	L143-A153 WeakPolarHBondContact CA-O 3.2Å; S144-A153 PolarHBondContact N-O 2.99Å; S144-A153 PolarHBondContact O-N 3.48Å; L146-A153 HydrophobicContact CD1-CB 4.3Å; A153-K162 CarbonylContact C-O 3.58Å; A153-K162 WeakPolarHBondContact CA-O 3.39Å; A153-L163 HydrophobicContact CB-CD2 3.6Å; A153-M184 HydrophobicContact CB-CE 3.58Å; A153-M184 HydrophobicContact CB-SD 4.06Å; A153-M184 WeakPolarHBondContact O-CE 3.26Å; A153-L191 HydrophobicContact CB-CD1 4.29Å; A153-L191 HydrophobicContact CB-CD2 4.12Å
154	S	88.7	Confident	86.6	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.1	169.1	60.4	0	0	0	0	110.6	H136 V161 K162 W164	H136-S154 PolarHBondContact NE2-OG 2.95Å; S154-V161 CarbonylContact O-C 3.12Å; S154-V161 VanDerWaalsContact O-CA 3.25Å; S154-V161 WeakPolarHBondContact O-CA 3.45Å; S154-K162 PolarHBondContact N-O 2.81Å; S154-K162 PolarHBondContact O-N 2.82Å; S154-K162 PolarHBondContact OG-O 3.19Å; S154-W164 PolarHBondContact OG-NE1 3.03Å
155	G	89.9	Confident	86.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.3	174.6	0	0	0	0	0	110.8	R141 C142	R141-G155 PolarHBondContact N-O 3.36Å; C142-G155 PolarHBondContact N-O 3.41Å; C142-G155 PolarHBondContact O-N 3.02Å
156	S	89.4	Confident	85.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	163.1	-174.7	173.5	0	0	0	0	113.6	H136 G138 P139 D158 Q159 T160 V181	H136-S156 WeakPolarHBondContact ND1-CB 3.43Å; G138-S156 PolarHBondContact O-OG 3.09Å; P139-S156 WeakPolarHBondContact O-CA 3.32Å; P139-S156 PolarHBondContact O-OG 2.68Å; P139-S156 VanDerWaalsContact O-OG 3.05Å; S156-D158 WeakPolarHBondContact CB-OD1 3.41Å; S156-D158 VanDerWaalsContact OG-CG 3.28Å; S156-D158 PolarHBondContact OG-N 3.35Å; S156-D158 VanDerWaalsContact OG-N 3.1Å; S156-D158 PolarHBondContact OG-OD1 2.85Å; S156-Q159 PolarHBondContact O-N 2.95Å; S156-T160 PolarHBondContact N-O 3.07Å; S156-T160 VanDerWaalsContact N-O 3.12Å; S156-V181 PolarHBondContact O-N 3.5Å; S156-V181 VanDerWaalsContact O-N 3.09Å
157	W	88	Confident	85	Confident	99 Å²	99	34.5 Å²	34.5	38%	0.375	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6	169.2	-67.4	-3.7	0	0	0	113.9	P139 Q159 R180 V181	P139-W157 HydrophobicContact CB-CD2 4.16Å; P139-W157 HydrophobicContact CB-CE3 3.8Å; P139-W157 HydrophobicContact CB-CZ3 4.26Å; P139-W157 HydrophobicContact CG-CD2 4.5Å; P139-W157 HydrophobicContact CG-CE3 3.73Å; P139-W157 HydrophobicContact CG-CZ3 4.18Å; P139-W157 PolarHBondContact O-N 3.38Å; W157-Q159 PolarHBondContact O-N 2.82Å; W157-R180 HydrophobicContact CB-CB 4.38Å; W157-R180 HydrophobicContact CB-CG 4.33Å; W157-R180 HydrophobicContact CG-CB 4.36Å; W157-R180 WeakPolarHBondContact O-CG 3.37Å; W157-V181 PolarHBondContact NE1-O 3.12Å
158	D	87.7	Confident	84.9	Confident	31 Å²	31	34.5 Å²	34.5	17%	0.166	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	5.6	166.2	68.7	6.9	0	0	0	113.6	H136 E137 S156 T160	H136-D158 WeakPolarHBondContact CA-OD2 3.29Å; H136-D158 VanDerWaalsContact CB-OD2 3.22Å; H136-D158 WeakPolarHBondContact CB-OD2 3.35Å; H136-D158 IonicContact CG-OD2 2.85Å; H136-D158 IonicContact ND1-OD1 3.12Å; H136-D158 PolarHBondContact ND1-OD1 3.01Å; H136-D158 IonicContact ND1-OD2 3.29Å; H136-D158 PolarHBondContact ND1-OD2 3.12Å; E137-D158 HydrophobicContact CB-CB 4Å; E137-D158 PolarHBondContact N-OD2 2.84Å; S156-D158 WeakPolarHBondContact CB-OD1 3.41Å; S156-D158 VanDerWaalsContact OG-CG 3.28Å; S156-D158 PolarHBondContact OG-N 3.35Å; S156-D158 VanDerWaalsContact OG-N 3.1Å; S156-D158 PolarHBondContact OG-OD1 2.85Å; D158-T160 VanDerWaalsContact C-N 3.28Å; D158-T160 PolarHBondContact O-N 2.83Å; D158-T160 WeakPolarHBondContact OD1-CA 3.46Å; D158-T160 WeakPolarHBondContact OD1-CB 3.4Å; D158-T160 PolarHBondContact OD1-N 2.81Å; D158-T160 PolarHBondContact OD1-OG1 2.81Å; D158-T160 PolarHBondContact OD2-OG1 3.04Å
159	Q	94.9	Very high	84.7	Confident	82 Å²	82	31.9 Å²	31.9	38%	0.383	17%	0.165	S	C	.	.	S	Bend	trans	67	27.3	-178.6	-43.6	178.2	-4.9	0	0	112.9	S156 W157 Q177	S156-Q159 PolarHBondContact O-N 2.95Å; W157-Q159 PolarHBondContact O-N 2.82Å; Q159-Q177 WeakPolarHBondContact O-CB 3.45Å; Q159-Q177 PolarHBondContact O-N 3.48Å
160	T	92.7	Very high	84.5	Confident	15 Å²	15	36 Å²	36	9%	0.092	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.7	174.5	73.4	0	0	0	0	112.3	H136 S156 D158	H136-T160 PolarHBondContact CE1-OG1 3.11Å; H136-T160 VanDerWaalsContact CE1-OG1 3.29Å; H136-T160 PolarHBondContact ND1-OG1 3.31Å; H136-T160 VanDerWaalsContact ND1-OG1 3.13Å; S156-T160 PolarHBondContact N-O 3.07Å; S156-T160 VanDerWaalsContact N-O 3.12Å; D158-T160 VanDerWaalsContact C-N 3.28Å; D158-T160 PolarHBondContact O-N 2.83Å; D158-T160 WeakPolarHBondContact OD1-CA 3.46Å; D158-T160 WeakPolarHBondContact OD1-CB 3.4Å; D158-T160 PolarHBondContact OD1-N 2.81Å; D158-T160 PolarHBondContact OD1-OG1 2.81Å; D158-T160 PolarHBondContact OD2-OG1 3.04Å
161	V	93.5	Very high	84.8	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.5	162.8	172	0	0	0	0	107.5	S154 Y175 Q177 V181 M184 L191 V193	S154-V161 CarbonylContact O-C 3.12Å; S154-V161 VanDerWaalsContact O-CA 3.25Å; S154-V161 WeakPolarHBondContact O-CA 3.45Å; V161-Y175 PolarHBondContact N-O 3.44Å; V161-Y175 PolarHBondContact O-N 3.3Å; V161-Q177 HydrophobicContact CB-CG 4.44Å; V161-Q177 HydrophobicContact CG2-CG 3.69Å; V161-V181 HydrophobicContact CG2-CG2 4.03Å; V161-M184 HydrophobicContact CG1-SD 3.99Å; V161-M184 HydrophobicContact CG2-SD 4.26Å; V161-L191 HydrophobicContact CG1-CD2 3.93Å; V161-V193 HydrophobicContact CG2-CG1 4.11Å; V161-V193 HydrophobicContact CG2-CG2 4.15Å
162	K	89.2	Confident	84.9	Confident	36 Å²	36	40.4 Å²	40.4	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.9	177.5	-69.1	-177.5	-172.6	-177.4	0	110.3	A135 H136 A153 S154 W164 G173 C174	A135-K162 PolarHBondContact O-NZ 2.91Å; H136-K162 VanDerWaalsContact CE1-CG 3.48Å; H136-K162 WeakPolarHBondContact CE1-CG 3.23Å; A153-K162 CarbonylContact C-O 3.58Å; A153-K162 WeakPolarHBondContact CA-O 3.39Å; S154-K162 PolarHBondContact N-O 2.81Å; S154-K162 PolarHBondContact O-N 2.82Å; S154-K162 PolarHBondContact OG-O 3.19Å; K162-W164 HydrophobicContact CB-CZ2 3.63Å; K162-W164 HydrophobicContact CD-CH2 3.9Å; K162-W164 HydrophobicContact CD-CZ2 3.57Å; K162-W164 HydrophobicContact CG-CZ2 4.22Å; K162-G173 CarbonylContact C-O 3.59Å; K162-G173 WeakPolarHBondContact CA-O 3.31Å; K162-C174 VanDerWaalsContact CE-SG 3.55Å; K162-C174 HydrophobicContact CG-CB 4.07Å
163	L	90.4	Very high	85.1	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	172.1	-62	-176.2	0	0	0	109.3	L146 M152 A153 C171 V172 G173 Y175 M208	L146-L163 HydrophobicContact CD1-CD2 3.88Å; M152-L163 CarbonylContact O-C 3.58Å; M152-L163 WeakPolarHBondContact O-CA 3.21Å; A153-L163 HydrophobicContact CB-CD2 3.6Å; L163-C171 CarbonylContact O-C 3.58Å; L163-C171 WeakPolarHBondContact O-CA 3.35Å; L163-V172 HydrophobicContact CB-CB 4.36Å; L163-V172 PolarHBondContact O-N 2.97Å; L163-G173 PolarHBondContact N-O 2.89Å; L163-Y175 HydrophobicContact CD1-CE2 3.76Å; L163-Y175 HydrophobicContact CG-CD2 4.45Å; L163-Y175 HydrophobicContact CG-CE2 3.91Å; L163-M208 HydrophobicContact CD1-CG 4.39Å
164	W	84.2	Confident	85.2	Confident	7 Å²	7	44 Å²	44	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.6	-175.7	-52.1	92.6	0	0	0	110.2	V115 L133 H136 L151 M152 S154 K162 P166 C171	V115-W164 HydrophobicContact CB-CZ2 4.45Å; V115-W164 HydrophobicContact CG2-CZ2 4.13Å; L133-W164 HydrophobicContact CB-CD2 4.29Å; L133-W164 HydrophobicContact CB-CE3 3.84Å; L133-W164 HydrophobicContact CB-CZ3 4.44Å; L133-W164 HydrophobicContact CD1-CB 4.01Å; L133-W164 HydrophobicContact CD1-CG 4.48Å; L133-W164 WeakPolarHBondContact O-CZ3 3.48Å; H136-W164 AromaticContact NE2-CZ2 3.94Å; L151-W164 WeakPolarHBondContact CA-O 2.84Å; M152-W164 PolarHBondContact N-O 2.83Å; M152-W164 PolarHBondContact O-N 2.68Å; S154-W164 PolarHBondContact OG-NE1 3.03Å; K162-W164 HydrophobicContact CB-CZ2 3.63Å; K162-W164 HydrophobicContact CD-CH2 3.9Å; K162-W164 HydrophobicContact CD-CZ2 3.57Å; K162-W164 HydrophobicContact CG-CZ2 4.22Å; W164-P166 WeakPolarHBondContact O-CD 3.46Å; W164-C171 HydrophobicContact CE3-CB 3.77Å; W164-C171 HydrophobicContact CH2-CB 4.07Å; W164-C171 HydrophobicContact CZ3-CB 3.46Å; W164-C171 VanDerWaalsContact CZ3-CB 3.46Å
165	D	81.3	Confident	85.5	Confident	33 Å²	33	45.6 Å²	45.6	18%	0.176	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108	166.8	-178	-10.2	0	0	0	108.3	L151 R167 A168 G169 R170 V172	L151-D165 HydrophobicContact CD2-CB 3.7Å; D165-R167 PolarHBondContact O-N 3.25Å; D165-R167 WeakPolarHBondContact OD1-CA 3.22Å; D165-R167 VanDerWaalsContact OD1-CB 3.28Å; D165-R167 WeakPolarHBondContact OD1-CB 3.42Å; D165-R167 PolarHBondContact OD1-N 3.49Å; D165-A168 HydrophobicContact CB-CB 4.08Å; D165-A168 PolarHBondContact O-N 3.01Å; D165-A168 PolarHBondContact OD1-N 2.75Å; D165-A168 WeakPolarHBondContact OD2-CB 3.37Å; D165-G169 PolarHBondContact O-N 3.21Å; D165-R170 PolarHBondContact N-O 2.99Å; D165-R170 PolarHBondContact O-N 2.9Å; D165-V172 HydrophobicContact CB-CG2 3.65Å
166	P	71.5	Confident	85.6	Confident	17 Å²	17	51.5 Å²	51.5	11%	0.11	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.3	179	24.2	-32.4	0	0	0	113.4	F117 G150 M152 W164	F117-P166 HydrophobicContact CD2-CB 3.75Å; F117-P166 HydrophobicContact CE2-CB 3.31Å; F117-P166 HydrophobicContact CZ-CB 3.96Å; G150-P166 WeakPolarHBondContact O-CD 3.21Å; M152-P166 HydrophobicContact CE-CB 3.57Å; M152-P166 HydrophobicContact CE-CG 3.78Å; W164-P166 WeakPolarHBondContact O-CD 3.46Å
167	R	71.9	Confident	85.8	Confident	144 Å²	144	52 Å²	52	54%	0.543	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-41.3	-177.5	-56	172.5	177.8	178.7	-3.6	110.8	D165	D165-R167 PolarHBondContact O-N 3.25Å; D165-R167 WeakPolarHBondContact OD1-CA 3.22Å; D165-R167 VanDerWaalsContact OD1-CB 3.28Å; D165-R167 WeakPolarHBondContact OD1-CB 3.42Å; D165-R167 PolarHBondContact OD1-N 3.49Å
168	A	73.6	Confident	86.1	Confident	53 Å²	53	49.2 Å²	49.2	44%	0.438	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12	179.4	0	0	0	0	0	113.1	D165 R170	D165-A168 HydrophobicContact CB-CB 4.08Å; D165-A168 PolarHBondContact O-N 3.01Å; D165-A168 PolarHBondContact OD1-N 2.75Å; D165-A168 WeakPolarHBondContact OD2-CB 3.37Å; A168-R170 VanDerWaalsContact C-N 3.27Å; A168-R170 HydrophobicContact CB-CG 3.85Å; A168-R170 PolarHBondContact O-N 3.31Å
169	G	73	Confident	86.4	Confident	30 Å²	30	50 Å²	50	31%	0.309	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	30.2	-179.9	0	0	0	0	0	113.2	D165	D165-G169 PolarHBondContact O-N 3.21Å
170	R	77.8	Confident	86.4	Confident	164 Å²	164	52.2 Å²	52.2	62%	0.619	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	155.2	-173.6	71.7	-178.5	179.7	172.5	0.7	113.1	D165 A168	D165-R170 PolarHBondContact N-O 2.99Å; D165-R170 PolarHBondContact O-N 2.9Å; A168-R170 VanDerWaalsContact C-N 3.27Å; A168-R170 HydrophobicContact CB-CG 3.85Å; A168-R170 PolarHBondContact O-N 3.31Å
171	C	84.4	Confident	86.5	Confident	51 Å²	51	51.5 Å²	51.5	35%	0.345	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.7	165.2	-168.7	0	0	0	0	109.4	L163 W164 G173	L163-C171 CarbonylContact O-C 3.58Å; L163-C171 WeakPolarHBondContact O-CA 3.35Å; W164-C171 HydrophobicContact CE3-CB 3.77Å; W164-C171 HydrophobicContact CH2-CB 4.07Å; W164-C171 HydrophobicContact CZ3-CB 3.46Å; W164-C171 VanDerWaalsContact CZ3-CB 3.46Å; C171-G173 PolarHBondContact SG-O 3.49Å; C171-G173 VanDerWaalsContact SG-O 3.38Å
172	V	87.7	Confident	86.5	Confident	77 Å²	77	53.7 Å²	53.7	47%	0.467	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-38.5	175.5	179.6	0	0	0	0	110.7	L151 L163 D165	L151-V172 HydrophobicContact CD2-CG2 3.99Å; L163-V172 HydrophobicContact CB-CB 4.36Å; L163-V172 PolarHBondContact O-N 2.97Å; D165-V172 HydrophobicContact CB-CG2 3.65Å
173	G	88.3	Confident	86.7	Confident	13 Å²	13	52.3 Å²	52.3	13%	0.134	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	151.6	-177.5	0	0	0	0	0	112.6	K162 L163 C171	K162-G173 CarbonylContact C-O 3.59Å; K162-G173 WeakPolarHBondContact CA-O 3.31Å; L163-G173 PolarHBondContact N-O 2.89Å; C171-G173 PolarHBondContact SG-O 3.49Å; C171-G173 VanDerWaalsContact SG-O 3.38Å
174	C	91.2	Very high	86.9	Confident	68 Å²	68	52.1 Å²	52.1	46%	0.459	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.9	178.9	-175.3	0	0	0	0	109.3	K162	K162-C174 VanDerWaalsContact CE-SG 3.55Å; K162-C174 HydrophobicContact CG-CB 4.07Å
175	Y	94.4	Very high	87.4	Confident	33 Å²	33	53.3 Å²	53.3	13%	0.129	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.1	-172	-55.2	-79.1	0	0	0	110.5	V161 L163 Q177 M208	V161-Y175 PolarHBondContact N-O 3.44Å; V161-Y175 PolarHBondContact O-N 3.3Å; L163-Y175 HydrophobicContact CD1-CE2 3.76Å; L163-Y175 HydrophobicContact CG-CD2 4.45Å; L163-Y175 HydrophobicContact CG-CE2 3.91Å; Y175-Q177 PolarHBondContact O-NE2 2.97Å; Y175-M208 HydrophobicContact CD1-CB 3.96Å; Y175-M208 HydrophobicContact CD1-CE 4.12Å; Y175-M208 HydrophobicContact CD2-CE 3.45Å; Y175-M208 VanDerWaalsContact CD2-CE 3.45Å; Y175-M208 HydrophobicContact CE1-CB 3.3Å; Y175-M208 HydrophobicContact CE1-CE 4.42Å; Y175-M208 HydrophobicContact CE1-CG 4.36Å; Y175-M208 HydrophobicContact CE2-CB 3.94Å; Y175-M208 HydrophobicContact CE2-CE 3.77Å; Y175-M208 HydrophobicContact CE2-CG 4.15Å; Y175-M208 HydrophobicContact CG-CE 3.63Å; Y175-M208 WeakPolarHBondContact OH-CB 3.49Å
176	N	93.3	Very high	87.8	Confident	124 Å²	124	52.8 Å²	52.8	66%	0.663	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.8	-179.7	-66.4	-19.2	0	0	0	111
177	Q	93.8	Very high	88.6	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.042	27%	0.273	C	S	.	.			trans	-109.8	153.6	174.4	-56.6	-52.9	-53.5	0	0	108.8	Q159 V161 Y175 Q179 V181 V193 T195	Q159-Q177 WeakPolarHBondContact O-CB 3.45Å; Q159-Q177 PolarHBondContact O-N 3.48Å; V161-Q177 HydrophobicContact CB-CG 4.44Å; V161-Q177 HydrophobicContact CG2-CG 3.69Å; Y175-Q177 PolarHBondContact O-NE2 2.97Å; Q177-Q179 PolarHBondContact O-N 2.79Å; Q177-V181 HydrophobicContact CB-CG2 4.34Å; Q177-V181 HydrophobicContact CG-CG2 3.9Å; Q177-V193 HydrophobicContact CG-CG1 4.4Å; Q177-T195 HydrophobicContact CB-CG2 4.16Å
178	P	92.6	Very high	89.2	Confident	41 Å²	41	46.2 Å²	46.2	27%	0.266	26%	0.256	S	S	.	.	S	Bend	trans	-65.6	-25.3	-178.3	28.2	-38.8	0	0	0	113.4	T195 K199 W201	P178-T195 HydrophobicContact CG-CG2 4.32Å; P178-K199 HydrophobicContact CB-CD 4.44Å; P178-K199 HydrophobicContact CG-CD 4.21Å; P178-W201 HydrophobicContact CB-CZ2 4.21Å; P178-W201 HydrophobicContact CG-CD2 4.44Å; P178-W201 HydrophobicContact CG-CZ2 3.76Å
179	Q	95.1	Very high	89.9	Confident	47 Å²	47	46.3 Å²	46.3	22%	0.22	25%	0.25	C	C	.	.	S	Bend	trans	-153.6	172.6	-173.4	-77.8	-59.1	-14.8	0	0	110.3	Q177 V181 A196 E197	Q177-Q179 PolarHBondContact O-N 2.79Å; Q179-V181 PolarHBondContact O-N 3.39Å; Q179-A196 HydrophobicContact CB-CB 3.98Å; Q179-E197 HydrophobicContact CG-CB 4.44Å; Q179-E197 HydrophobicContact CG-CG 3.98Å; Q179-E197 PolarHBondContact NE2-OE1 3.47Å
180	R	94.3	Very high	90.9	Very high	130 Å²	130	48.3 Å²	48.3	49%	0.491	25%	0.248	S	C	.	.			trans	-52.8	135.2	178.1	-56.1	-175.1	-177.9	162.6	2.2	111.4	W157 Y182 T195 A196	W157-R180 HydrophobicContact CB-CB 4.38Å; W157-R180 HydrophobicContact CB-CG 4.33Å; W157-R180 HydrophobicContact CG-CB 4.36Å; W157-R180 WeakPolarHBondContact O-CG 3.37Å; R180-Y182 HydrophobicContact CB-CE1 4.4Å; R180-T195 CarbonylContact O-C 3.59Å; R180-T195 VanDerWaalsContact O-CA 3.23Å; R180-T195 WeakPolarHBondContact O-CA 3.49Å; R180-A196 HydrophobicContact CB-CB 4.43Å; R180-A196 PolarHBondContact O-N 2.92Å
181	V	94.4	Very high	91.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.6	178.3	-176.2	0	0	0	0	110.2	S156 W157 V161 Q177 Q179 V193	S156-V181 PolarHBondContact O-N 3.5Å; S156-V181 VanDerWaalsContact O-N 3.09Å; W157-V181 PolarHBondContact NE1-O 3.12Å; V161-V181 HydrophobicContact CG2-CG2 4.03Å; Q177-V181 HydrophobicContact CB-CG2 4.34Å; Q177-V181 HydrophobicContact CG-CG2 3.9Å; Q179-V181 PolarHBondContact O-N 3.39Å; V181-V193 HydrophobicContact CG1-CG1 3.8Å; V181-V193 HydrophobicContact CG2-CG1 3.97Å
182	Y	93.9	Very high	92.2	Very high	45 Å²	45	38.1 Å²	38.1	18%	0.176	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-36.8	177.8	-72.8	-21.7	0	0	0	113.4	R141 R180 A194 A196 Q223	R141-Y182 WeakPolarHBondContact CG-O 3.46Å; R180-Y182 HydrophobicContact CB-CE1 4.4Å; Y182-A194 PolarHBondContact N-O 3.17Å; Y182-A196 HydrophobicContact CD2-CB 4.41Å; Y182-A196 HydrophobicContact CE1-CB 4.36Å; Y182-A196 HydrophobicContact CE2-CB 3.63Å; Y182-Q223 HydrophobicContact CD2-CG 4.17Å; Y182-Q223 HydrophobicContact CE2-CG 3.65Å; Y182-Q223 VanDerWaalsContact CE2-NE2 3.33Å; Y182-Q223 VanDerWaalsContact CZ-NE2 3.27Å; Y182-Q223 PolarHBondContact OH-NE2 3.31Å; Y182-Q223 VanDerWaalsContact OH-NE2 3.08Å
183	S	94.2	Very high	92.6	Very high	7 Å²	7	34.4 Å²	34.4	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	152.3	177.8	-165.2	0	0	0	0	109.8	A194 L227	S183-A194 PolarHBondContact N-O 2.76Å; S183-A194 PolarHBondContact O-N 3.22Å; S183-L227 PolarHBondContact OG-N 3.27Å; S183-L227 PolarHBondContact OG-O 3.46Å
184	M	93.9	Very high	93	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.9	-177.6	-178	171.9	65.4	0	0	108.8	C142 A153 V161 L191 I192 V193	C142-M184 VanDerWaalsContact SG-CB 3.58Å; A153-M184 HydrophobicContact CB-CE 3.58Å; A153-M184 HydrophobicContact CB-SD 4.06Å; A153-M184 WeakPolarHBondContact O-CE 3.26Å; V161-M184 HydrophobicContact CG1-SD 3.99Å; V161-M184 HydrophobicContact CG2-SD 4.26Å; M184-L191 HydrophobicContact CG-CD1 3.63Å; M184-L191 HydrophobicContact CG-CG 4.07Å; M184-L191 HydrophobicContact SD-CD1 3.8Å; M184-L191 HydrophobicContact SD-CD2 3.8Å; M184-L191 HydrophobicContact SD-CG 4Å; M184-I192 VanDerWaalsContact CA-O 3.29Å; M184-I192 WeakPolarHBondContact CA-O 3.35Å; M184-V193 HydrophobicContact CG-CG2 4.14Å; M184-V193 HydrophobicContact SD-CG2 4.14Å
185	D	94.5	Very high	93.2	Very high	32 Å²	32	30.6 Å²	30.6	17%	0.171	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	152.6	171.5	-163.4	22.8	0	0	0	111.8	I192 L227 S229	D185-I192 PolarHBondContact N-O 2.8Å; D185-I192 PolarHBondContact O-N 2.92Å; D185-L227 HydrophobicContact CB-CD2 3.95Å; D185-S229 WeakPolarHBondContact OD2-CB 3.48Å; D185-S229 PolarHBondContact OD2-N 2.94Å; D185-S229 PolarHBondContact OD2-OG 3.37Å
186	A	90.9	Very high	93.1	Very high	22 Å²	22	29.5 Å²	29.5	18%	0.182	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.6	-179.3	0	0	0	0	0	110.6	S144 L146 L191 S229	S144-A186 WeakPolarHBondContact OG-CB 3.49Å; S144-A186 PolarHBondContact OG-N 3.01Å; L146-A186 HydrophobicContact CD2-CB 3.36Å; A186-L191 HydrophobicContact CB-CD1 4.34Å; A186-S229 PolarHBondContact O-OG 2.8Å; A186-S229 VanDerWaalsContact O-OG 3.12Å
187	C	87.5	Confident	93.1	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.034	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	90	-175.4	-171.1	0	0	0	0	108.7	D189 R190 I192 E233 L250	C187-D189 PolarHBondContact O-N 3.18Å; C187-D189 VanDerWaalsContact O-N 3.16Å; C187-R190 PolarHBondContact N-O 2.75Å; C187-R190 WeakPolarHBondContact O-CB 3.13Å; C187-R190 PolarHBondContact O-N 2.8Å; C187-I192 HydrophobicContact CB-CD1 3.94Å; C187-I192 HydrophobicContact CB-CG1 4.49Å; C187-E233 WeakPolarHBondContact SG-CA 3.34Å; C187-L250 HydrophobicContact CB-CD1 4.31Å; C187-L250 VanDerWaalsContact SG-CD1 3.58Å
188	G	84.8	Confident	93	Very high	18 Å²	18	31.7 Å²	31.7	19%	0.186	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-113.2	-175.3	0	0	0	0	0	112.4	N148 E233	N148-G188 PolarHBondContact ND2-O 3.4Å; G188-E233 VanDerWaalsContact CA-CD 3.44Å; G188-E233 VanDerWaalsContact CA-OE1 3.25Å; G188-E233 WeakPolarHBondContact CA-OE1 3.37Å
189	D	88.5	Confident	93.1	Very high	56 Å²	56	33.3 Å²	33.3	30%	0.299	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.8	175.7	-60.5	-67.3	0	0	0	113.5	C187 L205 R206	C187-D189 PolarHBondContact O-N 3.18Å; C187-D189 VanDerWaalsContact O-N 3.16Å; D189-L205 VanDerWaalsContact O-CB 3.24Å; D189-L205 WeakPolarHBondContact O-CB 3.4Å; D189-L205 WeakPolarHBondContact O-CG 3.26Å; D189-L205 PolarHBondContact O-N 2.95Å; D189-R206 VanDerWaalsContact CG-NE 3.3Å; D189-R206 IonicContact OD1-CZ 3.77Å; D189-R206 VanDerWaalsContact OD1-CZ 3.29Å; D189-R206 IonicContact OD1-NE 3.29Å; D189-R206 PolarHBondContact OD1-NE 3.49Å; D189-R206 VanDerWaalsContact OD1-NE 3.07Å; D189-R206 IonicContact OD1-NH2 2.87Å; D189-R206 PolarHBondContact OD1-NH2 2.88Å; D189-R206 IonicContact OD2-CZ 3.03Å; D189-R206 IonicContact OD2-NE 2.79Å; D189-R206 IonicContact OD2-NH1 3.93Å; D189-R206 IonicContact OD2-NH2 3.61Å; D189-R206 PolarHBondContact OD2-NH2 3.4Å
190	R	92.6	Very high	93.1	Very high	72 Å²	72	31.1 Å²	31.1	27%	0.272	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.3	-176.3	-62.2	165.5	-176.2	-112.3	-9.9	111.2	C187 V202 W203 E213	C187-R190 PolarHBondContact N-O 2.75Å; C187-R190 WeakPolarHBondContact O-CB 3.13Å; C187-R190 PolarHBondContact O-N 2.8Å; R190-V202 HydrophobicContact CB-CG1 4.18Å; R190-V202 HydrophobicContact CG-CG1 4.38Å; R190-W203 CarbonylContact C-O 3.5Å; R190-W203 WeakPolarHBondContact CA-O 3.43Å; R190-E213 VanDerWaalsContact CZ-CD 3.49Å; R190-E213 IonicContact CZ-OE1 3.48Å; R190-E213 IonicContact CZ-OE2 3.39Å; R190-E213 IonicContact NE-OE2 3.51Å; R190-E213 IonicContact NH1-OE1 2.86Å; R190-E213 PolarHBondContact NH1-OE1 3.29Å; R190-E213 IonicContact NH1-OE2 3.69Å; R190-E213 PolarHBondContact NH1-OE2 2.73Å; R190-E213 IonicContact NH2-OE1 3.42Å; R190-E213 PolarHBondContact NH2-OE1 2.79Å; R190-E213 IonicContact NH2-OE2 3.23Å; R190-E213 PolarHBondContact NH2-OE2 2.97Å
191	L	94.6	Very high	93.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.8	170.8	-174.2	68.4	0	0	0	109.4	L146 A153 V161 M184 A186 V193 W203 L205	L146-L191 HydrophobicContact CD2-CD1 4.42Å; A153-L191 HydrophobicContact CB-CD1 4.29Å; A153-L191 HydrophobicContact CB-CD2 4.12Å; V161-L191 HydrophobicContact CG1-CD2 3.93Å; M184-L191 HydrophobicContact CG-CD1 3.63Å; M184-L191 HydrophobicContact CG-CG 4.07Å; M184-L191 HydrophobicContact SD-CD1 3.8Å; M184-L191 HydrophobicContact SD-CD2 3.8Å; M184-L191 HydrophobicContact SD-CG 4Å; A186-L191 HydrophobicContact CB-CD1 4.34Å; L191-V193 HydrophobicContact CD2-CG2 4.29Å; L191-V193 HydrophobicContact CG-CG2 4.14Å; L191-W203 HydrophobicContact CB-CB 4.31Å; L191-W203 PolarHBondContact N-O 3.06Å; L191-W203 PolarHBondContact O-N 3.29Å; L191-L205 HydrophobicContact CB-CD2 3.76Å; L191-L205 HydrophobicContact CB-CG 4.15Å; L191-L205 HydrophobicContact CD2-CD2 4.31Å
192	I	95.9	Very high	93.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.5	-178.1	-50.1	169.2	0	0	0	108.1	M184 D185 C187 I200 W201 V202 L227 F236 L250	M184-I192 VanDerWaalsContact CA-O 3.29Å; M184-I192 WeakPolarHBondContact CA-O 3.35Å; D185-I192 PolarHBondContact N-O 2.8Å; D185-I192 PolarHBondContact O-N 2.92Å; C187-I192 HydrophobicContact CB-CD1 3.94Å; C187-I192 HydrophobicContact CB-CG1 4.49Å; I192-I200 HydrophobicContact CG2-CG2 3.74Å; I192-W201 WeakPolarHBondContact CA-O 3.32Å; I192-V202 HydrophobicContact CG2-CG2 4.49Å; I192-L227 HydrophobicContact CB-CD2 3.89Å; I192-L227 HydrophobicContact CG2-CD1 3.59Å; I192-L227 HydrophobicContact CG2-CD2 3.74Å; I192-L227 HydrophobicContact CG2-CG 4.32Å; I192-F236 HydrophobicContact CD1-CB 3.84Å; I192-F236 HydrophobicContact CD1-CD1 3.62Å; I192-F236 HydrophobicContact CD1-CE1 4.43Å; I192-F236 HydrophobicContact CD1-CG 3.9Å; I192-F236 HydrophobicContact CG2-CD1 4.43Å; I192-F236 HydrophobicContact CG2-CG 4.45Å; I192-L250 HydrophobicContact CD1-CD1 4.3Å; I192-L250 HydrophobicContact CD1-CD2 4.01Å; I192-L250 HydrophobicContact CG1-CD2 4.4Å
193	V	96.5	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.6	-174.5	-175.3	0	0	0	0	108.9	V161 Q177 V181 M184 L191 T195 I200 W201	V161-V193 HydrophobicContact CG2-CG1 4.11Å; V161-V193 HydrophobicContact CG2-CG2 4.15Å; Q177-V193 HydrophobicContact CG-CG1 4.4Å; V181-V193 HydrophobicContact CG1-CG1 3.8Å; V181-V193 HydrophobicContact CG2-CG1 3.97Å; M184-V193 HydrophobicContact CG-CG2 4.14Å; M184-V193 HydrophobicContact SD-CG2 4.14Å; L191-V193 HydrophobicContact CD2-CG2 4.29Å; L191-V193 HydrophobicContact CG-CG2 4.14Å; V193-T195 HydrophobicContact CG1-CG2 4.1Å; V193-I200 CarbonylContact O-C 3.53Å; V193-I200 WeakPolarHBondContact O-CA 3.45Å; V193-W201 HydrophobicContact CB-CB 4.45Å; V193-W201 PolarHBondContact N-O 2.91Å; V193-W201 PolarHBondContact O-N 3.18Å
194	A	95.9	Very high	93.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.6	171.7	0	0	0	0	0	109.9	Y182 S183 T224 L227	Y182-A194 PolarHBondContact N-O 3.17Å; S183-A194 PolarHBondContact N-O 2.76Å; S183-A194 PolarHBondContact O-N 3.22Å; A194-T224 HydrophobicContact CB-CG2 3.9Å; A194-L227 HydrophobicContact CB-CB 4.28Å; A194-L227 HydrophobicContact CB-CD1 3.87Å
195	T	95.9	Very high	92.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	172	-179.4	68.8	0	0	0	0	111.7	Q177 P178 R180 V193 K199	Q177-T195 HydrophobicContact CB-CG2 4.16Å; P178-T195 HydrophobicContact CG-CG2 4.32Å; R180-T195 CarbonylContact O-C 3.59Å; R180-T195 VanDerWaalsContact O-CA 3.23Å; R180-T195 WeakPolarHBondContact O-CA 3.49Å; V193-T195 HydrophobicContact CG1-CG2 4.1Å; T195-K199 PolarHBondContact N-O 3.06Å; T195-K199 WeakPolarHBondContact OG1-CB 3.35Å; T195-K199 PolarHBondContact OG1-O 2.77Å
196	A	93.2	Very high	92.6	Very high	11 Å²	11	34.8 Å²	34.8	9%	0.091	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-58.2	165.4	164.6	0	0	0	0	0	110.9	Q179 R180 Y182 R198	Q179-A196 HydrophobicContact CB-CB 3.98Å; R180-A196 HydrophobicContact CB-CB 4.43Å; R180-A196 PolarHBondContact O-N 2.92Å; Y182-A196 HydrophobicContact CD2-CB 4.41Å; Y182-A196 HydrophobicContact CE1-CB 4.36Å; Y182-A196 HydrophobicContact CE2-CB 3.63Å; A196-R198 PolarHBondContact O-N 2.67Å
197	E	91.8	Very high	92.5	Very high	108 Å²	108	36.4 Å²	36.4	51%	0.505	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	60.7	21.6	-171.6	-54.4	178.5	168.9	0	0	114.7	Q179 K199	Q179-E197 HydrophobicContact CG-CB 4.44Å; Q179-E197 HydrophobicContact CG-CG 3.98Å; Q179-E197 PolarHBondContact NE2-OE1 3.47Å; E197-K199 PolarHBondContact O-N 3Å; E197-K199 IonicContact OE2-NZ 2.73Å; E197-K199 PolarHBondContact OE2-NZ 3.34Å
198	R	92.7	Very high	92.5	Very high	71 Å²	71	36.5 Å²	36.5	27%	0.268	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	64.3	24.5	171.8	-49.3	177.7	-68.5	98	8.8	113.7	A196 E217 S218 L220 K221	A196-R198 PolarHBondContact O-N 2.67Å; R198-E217 IonicContact CZ-OE1 2.78Å; R198-E217 IonicContact NH1-OE1 3.38Å; R198-E217 PolarHBondContact NH1-OE1 3.27Å; R198-E217 IonicContact NH2-OE1 3.51Å; R198-E217 PolarHBondContact NH2-OE1 2.96Å; R198-S218 PolarHBondContact NH1-O 3.37Å; R198-S218 WeakPolarHBondContact O-CB 3.5Å; R198-S218 PolarHBondContact O-N 3.46Å; R198-L220 VanDerWaalsContact CD-O 3.31Å; R198-L220 WeakPolarHBondContact CD-O 3.41Å; R198-L220 PolarHBondContact NH1-O 3.23Å; R198-K221 WeakPolarHBondContact CD-O 2.99Å
199	K	94.3	Very high	92.6	Very high	75 Å²	75	42.7 Å²	42.7	33%	0.326	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.4	175.1	-64.2	168.5	179	153	0	110	P178 T195 E197	P178-K199 HydrophobicContact CB-CD 4.44Å; P178-K199 HydrophobicContact CG-CD 4.21Å; T195-K199 PolarHBondContact N-O 3.06Å; T195-K199 WeakPolarHBondContact OG1-CB 3.35Å; T195-K199 PolarHBondContact OG1-O 2.77Å; E197-K199 PolarHBondContact O-N 3Å; E197-K199 IonicContact OE2-NZ 2.73Å; E197-K199 PolarHBondContact OE2-NZ 3.34Å
200	I	95.5	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.2	177.9	-56.9	175	0	0	0	107.6	I192 V193 R216 L227 F236 V238	I192-I200 HydrophobicContact CG2-CG2 3.74Å; V193-I200 CarbonylContact O-C 3.53Å; V193-I200 WeakPolarHBondContact O-CA 3.45Å; I200-R216 HydrophobicContact CB-CB 4.38Å; I200-R216 PolarHBondContact N-O 3.07Å; I200-R216 PolarHBondContact O-N 3.31Å; I200-L227 HydrophobicContact CG2-CD1 4.2Å; I200-F236 HydrophobicContact CD1-CE2 3.93Å; I200-F236 HydrophobicContact CD1-CZ 4.41Å; I200-F236 HydrophobicContact CG2-CE2 4.18Å; I200-F236 HydrophobicContact CG2-CZ 4.06Å; I200-V238 HydrophobicContact CD1-CG2 3.89Å
201	W	95.1	Very high	92.4	Very high	37 Å²	37	41.7 Å²	41.7	14%	0.14	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.3	-177.5	-73	55.5	0	0	0	108.6	P178 I192 V193 W203 P212 Q215	P178-W201 HydrophobicContact CB-CZ2 4.21Å; P178-W201 HydrophobicContact CG-CD2 4.44Å; P178-W201 HydrophobicContact CG-CZ2 3.76Å; I192-W201 WeakPolarHBondContact CA-O 3.32Å; V193-W201 HydrophobicContact CB-CB 4.45Å; V193-W201 PolarHBondContact N-O 2.91Å; V193-W201 PolarHBondContact O-N 3.18Å; W201-W203 AromaticContact CE3-CZ2 3.65Å; W201-W203 HydrophobicContact CE3-CZ2 3.65Å; W201-W203 HydrophobicContact CZ3-CZ2 4.09Å; W201-P212 HydrophobicContact CD2-CB 4.35Å; W201-P212 HydrophobicContact CD2-CG 4.43Å; W201-P212 HydrophobicContact CE3-CB 3.53Å; W201-P212 HydrophobicContact CE3-CG 3.44Å; W201-P212 VanDerWaalsContact CE3-CG 3.44Å; W201-P212 HydrophobicContact CH2-CG 4.21Å; W201-P212 HydrophobicContact CZ3-CB 4Å; W201-P212 HydrophobicContact CZ3-CG 3.34Å; W201-Q215 HydrophobicContact CD2-CG 4.13Å; W201-Q215 HydrophobicContact CE3-CG 4.27Å; W201-Q215 HydrophobicContact CH2-CG 4.19Å; W201-Q215 HydrophobicContact CZ2-CG 4.05Å; W201-Q215 HydrophobicContact CZ3-CG 4.34Å
202	V	95.1	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.6	174.7	-175.6	0	0	0	0	107.1	R190 I192 P212 E213 Q214 L250	R190-V202 HydrophobicContact CB-CG1 4.18Å; R190-V202 HydrophobicContact CG-CG1 4.38Å; I192-V202 HydrophobicContact CG2-CG2 4.49Å; V202-P212 CarbonylContact O-C 3.59Å; V202-E213 PolarHBondContact O-N 2.87Å; V202-Q214 HydrophobicContact CB-CB 4Å; V202-Q214 HydrophobicContact CB-CG 4.46Å; V202-Q214 HydrophobicContact CG2-CB 4.24Å; V202-Q214 PolarHBondContact N-O 2.9Å; V202-Q214 PolarHBondContact O-N 3.37Å; V202-Q214 VanDerWaalsContact O-N 3.09Å; V202-L250 HydrophobicContact CG1-CD2 4.01Å; V202-L250 HydrophobicContact CG2-CD2 3.97Å
203	W	93.9	Very high	92	Very high	13 Å²	13	47.1 Å²	47.1	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140	179.4	-64.8	85.2	0	0	0	110	R190 L191 W201 M208 P212	R190-W203 CarbonylContact C-O 3.5Å; R190-W203 WeakPolarHBondContact CA-O 3.43Å; L191-W203 HydrophobicContact CB-CB 4.31Å; L191-W203 PolarHBondContact N-O 3.06Å; L191-W203 PolarHBondContact O-N 3.29Å; W201-W203 AromaticContact CE3-CZ2 3.65Å; W201-W203 HydrophobicContact CE3-CZ2 3.65Å; W201-W203 HydrophobicContact CZ3-CZ2 4.09Å; W203-M208 HydrophobicContact CB-CE 4.03Å; W203-M208 HydrophobicContact CB-SD 3.54Å; W203-M208 VanDerWaalsContact CB-SD 3.54Å; W203-M208 HydrophobicContact CD2-CE 3.87Å; W203-M208 HydrophobicContact CD2-SD 4.33Å; W203-M208 HydrophobicContact CE3-CE 3.74Å; W203-M208 HydrophobicContact CE3-SD 4.08Å; W203-M208 HydrophobicContact CG-CE 4.02Å; W203-M208 HydrophobicContact CG-SD 4.17Å; W203-M208 HydrophobicContact CZ3-CE 4.44Å; W203-M208 WeakPolarHBondContact CZ3-O 3.32Å; W203-P212 HydrophobicContact CD2-CB 4.24Å; W203-P212 HydrophobicContact CE3-CB 4.49Å; W203-P212 HydrophobicContact CZ2-CB 4.41Å
204	D	92.2	Very high	91.8	Very high	47 Å²	47	48.3 Å²	48.3	25%	0.251	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.6	166.8	-175.7	-9.9	0	0	0	108.4	R206 S207 M208	D204-R206 PolarHBondContact O-N 3.4Å; D204-R206 WeakPolarHBondContact OD1-CB 3.39Å; D204-R206 PolarHBondContact OD1-N 3.33Å; D204-S207 CarbonylContact O-C 3.57Å; D204-S207 VanDerWaalsContact O-C 3.31Å; D204-S207 PolarHBondContact O-N 2.91Å; D204-M208 PolarHBondContact O-N 3.03Å; D204-M208 VanDerWaalsContact O-N 3.16Å
205	L	89.8	Confident	91.7	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.094	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.7	-178.8	-69.7	169.5	0	0	0	112.7	L146 L149 D189 L191 S207 M208	L146-L205 HydrophobicContact CD1-CD1 4.16Å; L146-L205 HydrophobicContact CD1-CD2 3.66Å; L146-L205 HydrophobicContact CD2-CD1 3.66Å; L146-L205 HydrophobicContact CD2-CD2 4.31Å; L146-L205 HydrophobicContact CG-CD1 4.44Å; L149-L205 HydrophobicContact CD1-CB 3.85Å; L149-L205 HydrophobicContact CD1-CD1 4.37Å; D189-L205 VanDerWaalsContact O-CB 3.24Å; D189-L205 WeakPolarHBondContact O-CB 3.4Å; D189-L205 WeakPolarHBondContact O-CG 3.26Å; D189-L205 PolarHBondContact O-N 2.95Å; L191-L205 HydrophobicContact CB-CD2 3.76Å; L191-L205 HydrophobicContact CB-CG 4.15Å; L191-L205 HydrophobicContact CD2-CD2 4.31Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-M208 HydrophobicContact CD2-SD 4.23Å
206	R	88.8	Confident	91.4	Very high	177 Å²	177	56.1 Å²	56.1	67%	0.668	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-20.5	177.9	-59.9	171.3	176.4	178.8	-2.9	112.5	D189 D204	D189-R206 VanDerWaalsContact CG-NE 3.3Å; D189-R206 IonicContact OD1-CZ 3.77Å; D189-R206 VanDerWaalsContact OD1-CZ 3.29Å; D189-R206 IonicContact OD1-NE 3.29Å; D189-R206 PolarHBondContact OD1-NE 3.49Å; D189-R206 VanDerWaalsContact OD1-NE 3.07Å; D189-R206 IonicContact OD1-NH2 2.87Å; D189-R206 PolarHBondContact OD1-NH2 2.88Å; D189-R206 IonicContact OD2-CZ 3.03Å; D189-R206 IonicContact OD2-NE 2.79Å; D189-R206 IonicContact OD2-NH1 3.93Å; D189-R206 IonicContact OD2-NH2 3.61Å; D189-R206 PolarHBondContact OD2-NH2 3.4Å; D204-R206 PolarHBondContact O-N 3.4Å; D204-R206 WeakPolarHBondContact OD1-CB 3.39Å; D204-R206 PolarHBondContact OD1-N 3.33Å
207	S	88.4	Confident	91.4	Very high	57 Å²	57	61.3 Å²	61.3	40%	0.399	31%	0.307	S	S	.	.			trans	-145.4	50.6	-172	-174.3	0	0	0	0	111.6	D204 L205 D209 A210	D204-S207 CarbonylContact O-C 3.57Å; D204-S207 VanDerWaalsContact O-C 3.31Å; D204-S207 PolarHBondContact O-N 2.91Å; L205-S207 VanDerWaalsContact C-N 3.33Å; S207-D209 PolarHBondContact O-N 3.33Å; S207-A210 PolarHBondContact O-N 3.41Å; S207-A210 VanDerWaalsContact OG-CB 3.32Å; S207-A210 WeakPolarHBondContact OG-CB 3.46Å
208	M	87.3	Confident	91.3	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.034	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.1	-32.7	179.6	-65.9	-73.5	-61.1	0	0	112.8	L163 Y175 W203 D204 L205 A210 G211	L163-M208 HydrophobicContact CD1-CG 4.39Å; Y175-M208 HydrophobicContact CD1-CB 3.96Å; Y175-M208 HydrophobicContact CD1-CE 4.12Å; Y175-M208 HydrophobicContact CD2-CE 3.45Å; Y175-M208 VanDerWaalsContact CD2-CE 3.45Å; Y175-M208 HydrophobicContact CE1-CB 3.3Å; Y175-M208 HydrophobicContact CE1-CE 4.42Å; Y175-M208 HydrophobicContact CE1-CG 4.36Å; Y175-M208 HydrophobicContact CE2-CB 3.94Å; Y175-M208 HydrophobicContact CE2-CE 3.77Å; Y175-M208 HydrophobicContact CE2-CG 4.15Å; Y175-M208 HydrophobicContact CG-CE 3.63Å; Y175-M208 WeakPolarHBondContact OH-CB 3.49Å; W203-M208 HydrophobicContact CB-CE 4.03Å; W203-M208 HydrophobicContact CB-SD 3.54Å; W203-M208 VanDerWaalsContact CB-SD 3.54Å; W203-M208 HydrophobicContact CD2-CE 3.87Å; W203-M208 HydrophobicContact CD2-SD 4.33Å; W203-M208 HydrophobicContact CE3-CE 3.74Å; W203-M208 HydrophobicContact CE3-SD 4.08Å; W203-M208 HydrophobicContact CG-CE 4.02Å; W203-M208 HydrophobicContact CG-SD 4.17Å; W203-M208 HydrophobicContact CZ3-CE 4.44Å; W203-M208 WeakPolarHBondContact CZ3-O 3.32Å; D204-M208 PolarHBondContact O-N 3.03Å; D204-M208 VanDerWaalsContact O-N 3.16Å; L205-M208 HydrophobicContact CD2-SD 4.23Å; M208-A210 PolarHBondContact O-N 3.01Å; M208-G211 PolarHBondContact O-N 3Å; M208-G211 VanDerWaalsContact O-N 3.17Å
209	D	86.2	Confident	91.3	Very high	147 Å²	147	55.6 Å²	55.6	79%	0.786	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-66.8	-22.3	-179.1	-64	-34.9	0	0	0	113.4	S207 G211	S207-D209 PolarHBondContact O-N 3.33Å; D209-G211 PolarHBondContact O-N 3.06Å
210	A	87.6	Confident	91.3	Very high	84 Å²	84	52.1 Å²	52.1	69%	0.694	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-74.8	-7.4	177.5	0	0	0	0	0	113	S207 M208	S207-A210 PolarHBondContact O-N 3.41Å; S207-A210 VanDerWaalsContact OG-CB 3.32Å; S207-A210 WeakPolarHBondContact OG-CB 3.46Å; M208-A210 PolarHBondContact O-N 3.01Å
211	G	89.2	Confident	91.1	Very high	23 Å²	23	60.1 Å²	60.1	24%	0.237	31%	0.309	C	S	.	.			trans	93.9	-176.4	-172	0	0	0	0	0	112.8	M208 D209	M208-G211 PolarHBondContact O-N 3Å; M208-G211 VanDerWaalsContact O-N 3.17Å; D209-G211 PolarHBondContact O-N 3.06Å
212	P	90.8	Very high	91.1	Very high	32 Å²	32	63.5 Å²	63.5	21%	0.208	33%	0.325	C	S	.	.			trans	-67.2	138.4	179.3	32.2	-40.4	0	0	0	111.1	W201 V202 W203 Q214 Q215	W201-P212 HydrophobicContact CD2-CB 4.35Å; W201-P212 HydrophobicContact CD2-CG 4.43Å; W201-P212 HydrophobicContact CE3-CB 3.53Å; W201-P212 HydrophobicContact CE3-CG 3.44Å; W201-P212 VanDerWaalsContact CE3-CG 3.44Å; W201-P212 HydrophobicContact CH2-CG 4.21Å; W201-P212 HydrophobicContact CZ3-CB 4Å; W201-P212 HydrophobicContact CZ3-CG 3.34Å; V202-P212 CarbonylContact O-C 3.59Å; W203-P212 HydrophobicContact CD2-CB 4.24Å; W203-P212 HydrophobicContact CE3-CB 4.49Å; W203-P212 HydrophobicContact CZ2-CB 4.41Å; P212-Q214 VanDerWaalsContact C-N 3.34Å; P212-Q215 HydrophobicContact CB-CG 4.13Å; P212-Q215 HydrophobicContact CG-CG 3.68Å; P212-Q215 VanDerWaalsContact CG-NE2 3.26Å
213	E	91.2	Very high	91	Very high	82 Å²	82	67.6 Å²	67.6	38%	0.383	34%	0.344	S	S	.	.	S	Bend	trans	-66.2	-41.2	171.8	-169.8	-161.5	147.1	0	0	110.6	R190 V202	R190-E213 VanDerWaalsContact CZ-CD 3.49Å; R190-E213 IonicContact CZ-OE1 3.48Å; R190-E213 IonicContact CZ-OE2 3.39Å; R190-E213 IonicContact NE-OE2 3.51Å; R190-E213 IonicContact NH1-OE1 2.86Å; R190-E213 PolarHBondContact NH1-OE1 3.29Å; R190-E213 IonicContact NH1-OE2 3.69Å; R190-E213 PolarHBondContact NH1-OE2 2.73Å; R190-E213 IonicContact NH2-OE1 3.42Å; R190-E213 PolarHBondContact NH2-OE1 2.79Å; R190-E213 IonicContact NH2-OE2 3.23Å; R190-E213 PolarHBondContact NH2-OE2 2.97Å; V202-E213 PolarHBondContact O-N 2.87Å
214	Q	92	Very high	91	Very high	25 Å²	25	67.1 Å²	67.1	12%	0.117	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.7	179.6	-47.6	-178.8	16	0	0	111.3	V202 P212 L250	V202-Q214 HydrophobicContact CB-CB 4Å; V202-Q214 HydrophobicContact CB-CG 4.46Å; V202-Q214 HydrophobicContact CG2-CB 4.24Å; V202-Q214 PolarHBondContact N-O 2.9Å; V202-Q214 PolarHBondContact O-N 3.37Å; V202-Q214 VanDerWaalsContact O-N 3.09Å; P212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-L250 PolarHBondContact NE2-O 2.78Å; Q214-L250 PolarHBondContact OE1-O 3.24Å
215	Q	93.6	Very high	91.1	Very high	127 Å²	127	68 Å²	68	59%	0.593	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.7	171.4	-61.7	178.1	23.8	0	0	108.2	W201 P212	W201-Q215 HydrophobicContact CD2-CG 4.13Å; W201-Q215 HydrophobicContact CE3-CG 4.27Å; W201-Q215 HydrophobicContact CH2-CG 4.19Å; W201-Q215 HydrophobicContact CZ2-CG 4.05Å; W201-Q215 HydrophobicContact CZ3-CG 4.34Å; P212-Q215 HydrophobicContact CB-CG 4.13Å; P212-Q215 HydrophobicContact CG-CG 3.68Å; P212-Q215 VanDerWaalsContact CG-NE2 3.26Å
216	R	91.3	Very high	91.4	Very high	37 Å²	37	67.6 Å²	67.6	14%	0.14	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.9	-176.3	-61.8	-178	178	-167.1	0.1	110.3	I200 E248 F249 L250	I200-R216 HydrophobicContact CB-CB 4.38Å; I200-R216 PolarHBondContact N-O 3.07Å; I200-R216 PolarHBondContact O-N 3.31Å; R216-E248 IonicContact NH1-OE2 3.1Å; R216-E248 PolarHBondContact NH1-OE2 3.25Å; R216-F249 VanDerWaalsContact CZ-O 3.28Å; R216-F249 PolarHBondContact NH1-O 3.47Å; R216-F249 PolarHBondContact NH2-O 3.35Å; R216-L250 PolarHBondContact NH2-O 3.32Å; R216-L250 VanDerWaalsContact NH2-O 3.11Å
217	E	91.7	Very high	91.7	Very high	120 Å²	120	59.2 Å²	59.2	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.9	166.8	-166.3	-177.8	165.1	0	0	108.5	R198	R198-E217 IonicContact CZ-OE1 2.78Å; R198-E217 IonicContact NH1-OE1 3.38Å; R198-E217 PolarHBondContact NH1-OE1 3.27Å; R198-E217 IonicContact NH2-OE1 3.51Å; R198-E217 PolarHBondContact NH2-OE1 2.96Å
218	S	91	Very high	92.1	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.021	30%	0.3	C	S	.	.			trans	-61.5	136.1	178.5	-175.3	0	0	0	0	109.9	R198 L220	R198-S218 PolarHBondContact NH1-O 3.37Å; R198-S218 WeakPolarHBondContact O-CB 3.5Å; R198-S218 PolarHBondContact O-N 3.46Å; S218-L220 PolarHBondContact O-N 3.29Å; S218-L220 PolarHBondContact OG-N 3.16Å
219	P	91.6	Very high	92.4	Very high	57 Å²	57	59.6 Å²	59.6	37%	0.37	30%	0.303	S	S	.	.	S	Bend	trans	-70.6	-7.5	175.9	31.4	-37.9	0	0	0	112.7	A246 E248 V262	P219-A246 HydrophobicContact CG-CB 3.52Å; P219-E248 WeakPolarHBondContact CD-OE1 3.3Å; P219-V262 HydrophobicContact CB-CG2 3.95Å; P219-V262 HydrophobicContact CG-CG2 3.95Å
220	L	94.3	Very high	92.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.267	C	S	.	.			trans	-79.5	144.6	175	-57	176.8	0	0	0	109.7	R198 S218 V238 R244 A246 V262	R198-L220 VanDerWaalsContact CD-O 3.31Å; R198-L220 WeakPolarHBondContact CD-O 3.41Å; R198-L220 PolarHBondContact NH1-O 3.23Å; S218-L220 PolarHBondContact O-N 3.29Å; S218-L220 PolarHBondContact OG-N 3.16Å; L220-V238 HydrophobicContact CD1-CB 4.43Å; L220-V238 HydrophobicContact CD1-CG1 4.16Å; L220-V238 WeakPolarHBondContact CD1-O 3.18Å; L220-R244 HydrophobicContact CD2-CB 3.82Å; L220-A246 HydrophobicContact CD1-CB 4.16Å; L220-A246 HydrophobicContact CD2-CB 3.94Å; L220-A246 HydrophobicContact CG-CB 3.91Å; L220-V262 HydrophobicContact CD2-CG1 3.6Å; L220-V262 HydrophobicContact CD2-CG2 4.43Å
221	K	92.6	Very high	92.8	Very high	169 Å²	169	51.8 Å²	51.8	74%	0.735	25%	0.253	S	S	*	.	S	Bend	trans	-87.6	-21.1	-175.7	-68.1	-173.4	178	-172.3	0	113.1	R198 E242	R198-K221 WeakPolarHBondContact CD-O 2.99Å; K221-E242 PolarHBondContact N-OE1 2.84Å
222	F	93.5	Very high	92.7	Very high	107 Å²	107	53.9 Å²	53.9	47%	0.469	26%	0.259	S	S	.	.	S	Bend	trans	-110.4	175.3	-175	-68.4	-98.1	0	0	0	111.5	T224 I241 E242	F222-T224 PolarHBondContact O-N 3.17Å; F222-I241 HydrophobicContact CB-CD1 4.3Å; F222-I241 HydrophobicContact CB-CG1 3.72Å; F222-I241 HydrophobicContact CD1-CD1 4.49Å; F222-I241 HydrophobicContact CG-CG1 4.5Å; F222-E242 HydrophobicContact CB-CB 4.06Å; F222-E242 HydrophobicContact CD2-CB 3.51Å; F222-E242 HydrophobicContact CD2-CG 3.97Å; F222-E242 VanDerWaalsContact CD2-OE2 3.31Å; F222-E242 WeakPolarHBondContact CD2-OE2 3.33Å; F222-E242 HydrophobicContact CE2-CB 4.07Å; F222-E242 WeakPolarHBondContact CE2-OE2 3.24Å; F222-E242 HydrophobicContact CG-CB 3.85Å
223	Q	93.6	Very high	92.6	Very high	87 Å²	87	57.6 Å²	57.6	41%	0.407	27%	0.274	S	S	.	.			trans	-53.1	129.8	-179.2	-169.8	-177.6	32.5	0	0	112	Y182 S240 I241	Y182-Q223 HydrophobicContact CD2-CG 4.17Å; Y182-Q223 HydrophobicContact CE2-CG 3.65Å; Y182-Q223 VanDerWaalsContact CE2-NE2 3.33Å; Y182-Q223 VanDerWaalsContact CZ-NE2 3.27Å; Y182-Q223 PolarHBondContact OH-NE2 3.31Å; Y182-Q223 VanDerWaalsContact OH-NE2 3.08Å; Q223-S240 VanDerWaalsContact O-CA 3.23Å; Q223-S240 WeakPolarHBondContact O-CA 2.98Å; Q223-S240 VanDerWaalsContact O-CB 3.3Å; Q223-S240 WeakPolarHBondContact O-CB 3.26Å; Q223-I241 HydrophobicContact CB-CD1 3.88Å; Q223-I241 HydrophobicContact CB-CG1 4.1Å; Q223-I241 HydrophobicContact CB-CG2 4.36Å; Q223-I241 PolarHBondContact O-N 3.09Å; Q223-I241 VanDerWaalsContact O-N 3.1Å
224	T	94.9	Very high	92.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.2	172.1	-56.9	0	0	0	0	110.7	A194 F222 V238 S239	A194-T224 HydrophobicContact CB-CG2 3.9Å; F222-T224 PolarHBondContact O-N 3.17Å; T224-V238 HydrophobicContact CG2-CG1 3.37Å; T224-S239 CarbonylContact C-O 3.48Å; T224-S239 WeakPolarHBondContact CA-O 3.31Å
225	R	94.2	Very high	92.5	Very high	67 Å²	67	56.2 Å²	56.2	25%	0.253	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-46.6	-177.5	-173.5	58.8	179.2	159.6	0.6	113.5	S239 V281 L282	R225-S239 PolarHBondContact N-O 3.11Å; R225-V281 WeakPolarHBondContact CB-O 3.19Å; R225-L282 HydrophobicContact CG-CD2 4.19Å
226	C	94.9	Very high	92.6	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.9	-179.9	-174.2	0	0	0	0	110.4	V238 S239 L282	C226-V238 WeakPolarHBondContact O-CA 3.38Å; C226-S239 WeakPolarHBondContact CB-OG 3.34Å; C226-S239 PolarHBondContact N-OG 2.87Å; C226-S239 PolarHBondContact O-N 2.61Å; C226-L282 WeakPolarHBondContact CB-O 3.17Å
227	L	95.9	Very high	92.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.6	172.1	-175	149.7	0	0	0	108.7	S183 D185 I192 A194 I200 F236 A237 V238	S183-L227 PolarHBondContact OG-N 3.27Å; S183-L227 PolarHBondContact OG-O 3.46Å; D185-L227 HydrophobicContact CB-CD2 3.95Å; I192-L227 HydrophobicContact CB-CD2 3.89Å; I192-L227 HydrophobicContact CG2-CD1 3.59Å; I192-L227 HydrophobicContact CG2-CD2 3.74Å; I192-L227 HydrophobicContact CG2-CG 4.32Å; A194-L227 HydrophobicContact CB-CB 4.28Å; A194-L227 HydrophobicContact CB-CD1 3.87Å; I200-L227 HydrophobicContact CG2-CD1 4.2Å; L227-F236 HydrophobicContact CD1-CD2 3.97Å; L227-F236 HydrophobicContact CD1-CE2 4.26Å; L227-F236 HydrophobicContact CG-CD2 4.22Å; L227-A237 WeakPolarHBondContact CA-O 3.44Å; L227-V238 HydrophobicContact CD1-CG2 3.81Å; L227-V238 HydrophobicContact CG-CG2 4.1Å
228	R	96.1	Very high	93.1	Very high	57 Å²	57	42.7 Å²	42.7	22%	0.215	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.9	173.3	-68.5	-65.2	-178.8	-121.2	14.7	111	F236 A237 I284 F286	R228-F236 CarbonylContact O-C 3.53Å; R228-F236 VanDerWaalsContact O-CA 3.3Å; R228-F236 WeakPolarHBondContact O-CA 2.96Å; R228-F236 WeakPolarHBondContact O-CB 3.48Å; R228-A237 PolarHBondContact N-O 3.39Å; R228-A237 PolarHBondContact O-N 2.59Å; R228-I284 HydrophobicContact CB-CB 4.37Å; R228-I284 HydrophobicContact CB-CG2 4.11Å; R228-I284 HydrophobicContact CG-CB 4.04Å; R228-I284 HydrophobicContact CG-CG2 4.24Å; R228-I284 VanDerWaalsContact CG-O 3.3Å; R228-I284 WeakPolarHBondContact CG-O 3.43Å; R228-F286 HydrophobicContact CB-CD2 3.78Å; R228-F286 HydrophobicContact CB-CE2 3.79Å
229	S	94.7	Very high	93.4	Very high	15 Å²	15	42.6 Å²	42.6	11%	0.105	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	155	178.4	64.8	0	0	0	0	111.8	D185 A186 F286	D185-S229 WeakPolarHBondContact OD2-CB 3.48Å; D185-S229 PolarHBondContact OD2-N 2.94Å; D185-S229 PolarHBondContact OD2-OG 3.37Å; A186-S229 PolarHBondContact O-OG 2.8Å; A186-S229 VanDerWaalsContact O-OG 3.12Å; S229-F286 WeakPolarHBondContact O-CD2 3.17Å
230	F	92.7	Very high	93.5	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	19%	0.189	C	C	.	.			trans	-73.3	139.4	172.2	-66	-41	0	0	0	110.7	N232 E233 L234 G235 V247 F249 F286 P307	F230-N232 WeakPolarHBondContact CB-OD1 3.15Å; F230-N232 PolarHBondContact O-N 3.28Å; F230-E233 PolarHBondContact O-N 3.4Å; F230-L234 HydrophobicContact CD2-CB 4.32Å; F230-G235 PolarHBondContact N-O 3.41Å; F230-V247 HydrophobicContact CE2-CG1 4.2Å; F230-V247 HydrophobicContact CZ-CG1 3.59Å; F230-F249 HydrophobicContact CE2-CD1 4.24Å; F230-F249 AromaticContact CE2-CE1 3.94Å; F230-F249 HydrophobicContact CE2-CE1 3.94Å; F230-F286 AromaticContact CD1-CD1 3.93Å; F230-F286 HydrophobicContact CD1-CD1 3.93Å; F230-F286 AromaticContact CD1-CE1 3.15Å; F230-F286 HydrophobicContact CD1-CE1 3.15Å; F230-F286 HydrophobicContact CD1-CE2 4.04Å; F230-F286 AromaticContact CD1-CZ 3.23Å; F230-F286 HydrophobicContact CD1-CZ 3.23Å; F230-F286 HydrophobicContact CE1-CD1 4.43Å; F230-F286 AromaticContact CE1-CE1 3.3Å; F230-F286 HydrophobicContact CE1-CE1 3.3Å; F230-F286 HydrophobicContact CE1-CE2 4.36Å; F230-F286 AromaticContact CE1-CZ 3.26Å; F230-F286 HydrophobicContact CE1-CZ 3.26Å; F230-F286 HydrophobicContact CG-CE1 4.47Å; F230-F286 HydrophobicContact CG-CZ 4.5Å; F230-P307 HydrophobicContact CE1-CB 3.97Å; F230-P307 HydrophobicContact CE1-CG 4.12Å; F230-P307 HydrophobicContact CZ-CB 3.94Å; F230-P307 HydrophobicContact CZ-CG 4.46Å
231	P	89.9	Confident	93.5	Very high	64 Å²	64	42.7 Å²	42.7	42%	0.416	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.3	177	25.8	-33.8	0	0	0	113.5	F286	P231-F286 HydrophobicContact CG-CB 4.48Å
232	N	86	Confident	93.6	Very high	67 Å²	67	35.7 Å²	35.7	36%	0.358	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	7.2	175.3	68	3.8	0	0	0	113.9	F230 L234	F230-N232 WeakPolarHBondContact CB-OD1 3.15Å; F230-N232 PolarHBondContact O-N 3.28Å; N232-L234 HydrophobicContact CB-CG 4.44Å; N232-L234 VanDerWaalsContact ND2-CD1 3.3Å; N232-L234 WeakPolarHBondContact ND2-CD1 3.27Å; N232-L234 PolarHBondContact O-N 3.01Å; N232-L234 VanDerWaalsContact O-N 3.12Å; N232-L234 WeakPolarHBondContact OD1-CB 3.32Å; N232-L234 WeakPolarHBondContact OD1-CG 3.46Å; N232-L234 PolarHBondContact OD1-N 3.49Å
233	E	89.9	Confident	93.7	Very high	111 Å²	111	30.6 Å²	30.6	52%	0.519	15%	0.152	S	C	.	.	S	Bend	trans	63	13.2	176.8	-54	175.9	-174.5	0	0	116.1	C187 G188 F230	C187-E233 WeakPolarHBondContact SG-CA 3.34Å; G188-E233 VanDerWaalsContact CA-CD 3.44Å; G188-E233 VanDerWaalsContact CA-OE1 3.25Å; G188-E233 WeakPolarHBondContact CA-OE1 3.37Å; F230-E233 PolarHBondContact O-N 3.4Å
234	L	88.8	Confident	93.8	Very high	78 Å²	78	29.6 Å²	29.6	41%	0.408	14%	0.144	S	C	.	.	S	Bend	trans	-79.6	-19.8	-178.2	-63.8	-178.5	0	0	0	113.7	F230 N232 F249 L250	F230-L234 HydrophobicContact CD2-CB 4.32Å; N232-L234 HydrophobicContact CB-CG 4.44Å; N232-L234 VanDerWaalsContact ND2-CD1 3.3Å; N232-L234 WeakPolarHBondContact ND2-CD1 3.27Å; N232-L234 PolarHBondContact O-N 3.01Å; N232-L234 VanDerWaalsContact O-N 3.12Å; N232-L234 WeakPolarHBondContact OD1-CB 3.32Å; N232-L234 WeakPolarHBondContact OD1-CG 3.46Å; N232-L234 PolarHBondContact OD1-N 3.49Å; L234-F249 HydrophobicContact CB-CD1 4.49Å; L234-F249 WeakPolarHBondContact O-CA 3.36Å; L234-L250 PolarHBondContact O-N 3.12Å
235	G	92.3	Very high	93.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-167.9	-161.8	0	0	0	0	0	113.8	F230 E248	F230-G235 PolarHBondContact N-O 3.41Å; G235-E248 CarbonylContact C-O 3.49Å; G235-E248 WeakPolarHBondContact CA-O 3.36Å
236	F	95.2	Very high	94	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.9	-179.2	59.5	-87.7	0	0	0	111.2	I192 I200 L227 R228 V238 E248 L250	I192-F236 HydrophobicContact CD1-CB 3.84Å; I192-F236 HydrophobicContact CD1-CD1 3.62Å; I192-F236 HydrophobicContact CD1-CE1 4.43Å; I192-F236 HydrophobicContact CD1-CG 3.9Å; I192-F236 HydrophobicContact CG2-CD1 4.43Å; I192-F236 HydrophobicContact CG2-CG 4.45Å; I200-F236 HydrophobicContact CD1-CE2 3.93Å; I200-F236 HydrophobicContact CD1-CZ 4.41Å; I200-F236 HydrophobicContact CG2-CE2 4.18Å; I200-F236 HydrophobicContact CG2-CZ 4.06Å; L227-F236 HydrophobicContact CD1-CD2 3.97Å; L227-F236 HydrophobicContact CD1-CE2 4.26Å; L227-F236 HydrophobicContact CG-CD2 4.22Å; R228-F236 CarbonylContact O-C 3.53Å; R228-F236 VanDerWaalsContact O-CA 3.3Å; R228-F236 WeakPolarHBondContact O-CA 2.96Å; R228-F236 WeakPolarHBondContact O-CB 3.48Å; F236-V238 HydrophobicContact CD2-CG2 3.46Å; F236-V238 VanDerWaalsContact CD2-CG2 3.46Å; F236-V238 HydrophobicContact CE2-CG2 3.48Å; F236-V238 VanDerWaalsContact CE2-CG2 3.48Å; F236-E248 HydrophobicContact CD1-CB 4.47Å; F236-E248 HydrophobicContact CD2-CB 4.32Å; F236-E248 HydrophobicContact CE1-CB 3.99Å; F236-E248 HydrophobicContact CE2-CB 3.79Å; F236-E248 HydrophobicContact CE2-CG 4.25Å; F236-E248 HydrophobicContact CZ-CB 3.61Å; F236-E248 HydrophobicContact CZ-CG 4.25Å; F236-E248 WeakPolarHBondContact CZ-OE2 3.09Å; F236-E248 PolarHBondContact N-O 2.96Å; F236-E248 PolarHBondContact O-N 3.44Å; F236-E248 VanDerWaalsContact O-O 3.14Å; F236-L250 HydrophobicContact CD1-CD2 3.83Å; F236-L250 HydrophobicContact CD1-CG 4.17Å; F236-L250 HydrophobicContact CE1-CD2 3.8Å; F236-L250 HydrophobicContact CE1-CG 4.46Å
237	A	96.6	Very high	94.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.5	172	0	0	0	0	0	110.5	L227 R228 V245 A246 I284 F286	L227-A237 WeakPolarHBondContact CA-O 3.44Å; R228-A237 PolarHBondContact N-O 3.39Å; R228-A237 PolarHBondContact O-N 2.59Å; A237-V245 HydrophobicContact CB-CG1 4.23Å; A237-A246 CarbonylContact C-O 3.54Å; A237-A246 VanDerWaalsContact CA-O 3.28Å; A237-A246 WeakPolarHBondContact CA-O 3.44Å; A237-I284 HydrophobicContact CB-CD1 4.07Å; A237-F286 HydrophobicContact CB-CE2 4.02Å; A237-F286 HydrophobicContact CB-CZ 3.78Å
238	V	96.6	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.2	-178.8	-173.3	0	0	0	0	109.3	I200 L220 T224 C226 L227 F236 V245 A246	I200-V238 HydrophobicContact CD1-CG2 3.89Å; L220-V238 HydrophobicContact CD1-CB 4.43Å; L220-V238 HydrophobicContact CD1-CG1 4.16Å; L220-V238 WeakPolarHBondContact CD1-O 3.18Å; T224-V238 HydrophobicContact CG2-CG1 3.37Å; C226-V238 WeakPolarHBondContact O-CA 3.38Å; L227-V238 HydrophobicContact CD1-CG2 3.81Å; L227-V238 HydrophobicContact CG-CG2 4.1Å; F236-V238 HydrophobicContact CD2-CG2 3.46Å; F236-V238 VanDerWaalsContact CD2-CG2 3.46Å; F236-V238 HydrophobicContact CE2-CG2 3.48Å; F236-V238 VanDerWaalsContact CE2-CG2 3.48Å; V238-V245 CarbonylContact O-C 3.54Å; V238-V245 VanDerWaalsContact O-CA 3.26Å; V238-V245 WeakPolarHBondContact O-CA 3.1Å; V238-A246 PolarHBondContact N-O 3.09Å; V238-A246 PolarHBondContact O-N 2.94Å
239	S	96.4	Very high	93.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	153.1	175.4	81.9	0	0	0	0	112.1	T224 R225 C226 V281	T224-S239 CarbonylContact C-O 3.48Å; T224-S239 WeakPolarHBondContact CA-O 3.31Å; R225-S239 PolarHBondContact N-O 3.11Å; C226-S239 WeakPolarHBondContact CB-OG 3.34Å; C226-S239 PolarHBondContact N-OG 2.87Å; C226-S239 PolarHBondContact O-N 2.61Å; S239-V281 WeakPolarHBondContact CB-O 3.35Å; S239-V281 PolarHBondContact OG-O 3.06Å
240	S	95.4	Very high	93.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	169.1	170.6	67.4	0	0	0	0	112.5	Q223 E242 R244 V281	Q223-S240 VanDerWaalsContact O-CA 3.23Å; Q223-S240 WeakPolarHBondContact O-CA 2.98Å; Q223-S240 VanDerWaalsContact O-CB 3.3Å; Q223-S240 WeakPolarHBondContact O-CB 3.26Å; S240-E242 PolarHBondContact O-N 3.13Å; S240-E242 WeakPolarHBondContact OG-CG 3.39Å; S240-E242 PolarHBondContact OG-OE1 2.92Å; S240-R244 PolarHBondContact N-O 2.89Å; S240-R244 VanDerWaalsContact N-O 3.12Å; S240-V281 PolarHBondContact O-N 3.28Å
241	I	93.8	Very high	93.5	Very high	60 Å²	60	26.8 Å²	26.8	31%	0.308	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-5.4	175.3	62.8	169.9	0	0	0	113.9	F222 Q223 P280	F222-I241 HydrophobicContact CB-CD1 4.3Å; F222-I241 HydrophobicContact CB-CG1 3.72Å; F222-I241 HydrophobicContact CD1-CD1 4.49Å; F222-I241 HydrophobicContact CG-CG1 4.5Å; Q223-I241 HydrophobicContact CB-CD1 3.88Å; Q223-I241 HydrophobicContact CB-CG1 4.1Å; Q223-I241 HydrophobicContact CB-CG2 4.36Å; Q223-I241 PolarHBondContact O-N 3.09Å; Q223-I241 VanDerWaalsContact O-N 3.1Å; I241-P280 HydrophobicContact CB-CB 4.33Å; I241-P280 HydrophobicContact CB-CG 4.34Å; I241-P280 HydrophobicContact CG2-CB 4.44Å
242	E	94	Very high	93.4	Very high	23 Å²	23	28.1 Å²	28.1	11%	0.107	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	16.6	-175.7	89.4	-170.1	115.1	0	0	114	K221 F222 S240 R244 R267 V278	K221-E242 PolarHBondContact N-OE1 2.84Å; F222-E242 HydrophobicContact CB-CB 4.06Å; F222-E242 HydrophobicContact CD2-CB 3.51Å; F222-E242 HydrophobicContact CD2-CG 3.97Å; F222-E242 VanDerWaalsContact CD2-OE2 3.31Å; F222-E242 WeakPolarHBondContact CD2-OE2 3.33Å; F222-E242 HydrophobicContact CE2-CB 4.07Å; F222-E242 WeakPolarHBondContact CE2-OE2 3.24Å; F222-E242 HydrophobicContact CG-CB 3.85Å; S240-E242 PolarHBondContact O-N 3.13Å; S240-E242 WeakPolarHBondContact OG-CG 3.39Å; S240-E242 PolarHBondContact OG-OE1 2.92Å; E242-R244 HydrophobicContact CG-CB 3.81Å; E242-R244 HydrophobicContact CG-CG 3.62Å; E242-R244 IonicContact OE2-NE 2.6Å; E242-R244 PolarHBondContact OE2-NE 2.95Å; E242-R267 PolarHBondContact O-NH2 3.14Å; E242-V278 WeakPolarHBondContact O-CG1 3.29Å
243	G	94.8	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	47.2	-175.1	0	0	0	0	0	111.5	C265 R267 Y279	G243-C265 CarbonylContact C-O 3.56Å; G243-C265 WeakPolarHBondContact CA-O 3.48Å; G243-C265 PolarHBondContact O-N 2.87Å; G243-R267 PolarHBondContact O-NE 3.42Å; G243-Y279 WeakPolarHBondContact CA-O 3.34Å; G243-Y279 PolarHBondContact N-O 2.92Å; G243-Y279 VanDerWaalsContact N-O 3.15Å
244	R	96.3	Very high	93.5	Very high	66 Å²	66	32.2 Å²	32.2	25%	0.249	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.5	176.9	-71.4	-175.7	-166.6	-97.9	2.6	111.5	L220 S240 E242 V262 F263	L220-R244 HydrophobicContact CD2-CB 3.82Å; S240-R244 PolarHBondContact N-O 2.89Å; S240-R244 VanDerWaalsContact N-O 3.12Å; E242-R244 HydrophobicContact CG-CB 3.81Å; E242-R244 HydrophobicContact CG-CG 3.62Å; E242-R244 IonicContact OE2-NE 2.6Å; E242-R244 PolarHBondContact OE2-NE 2.95Å; R244-V262 HydrophobicContact CB-CG1 4.28Å; R244-V262 HydrophobicContact CG-CG1 4.49Å; R244-F263 WeakPolarHBondContact CA-O 3.23Å
245	V	97.4	Very high	93.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.4	169.8	172.3	0	0	0	0	108.5	A237 V238 V262 F263 V281 I284 F293 T295	A237-V245 HydrophobicContact CB-CG1 4.23Å; V238-V245 CarbonylContact O-C 3.54Å; V238-V245 VanDerWaalsContact O-CA 3.26Å; V238-V245 WeakPolarHBondContact O-CA 3.1Å; V245-V262 WeakPolarHBondContact O-CA 3.5Å; V245-F263 HydrophobicContact CB-CD1 4.45Å; V245-F263 HydrophobicContact CB-CE1 3.7Å; V245-F263 HydrophobicContact CB-CE2 4.21Å; V245-F263 HydrophobicContact CB-CZ 3.57Å; V245-F263 HydrophobicContact CG1-CE1 3.73Å; V245-F263 HydrophobicContact CG1-CZ 3.82Å; V245-F263 HydrophobicContact CG2-CZ 4.36Å; V245-F263 PolarHBondContact N-O 3.13Å; V245-F263 WeakPolarHBondContact O-CD1 3.19Å; V245-F263 PolarHBondContact O-N 3.36Å; V245-V281 HydrophobicContact CG2-CG1 3.95Å; V245-I284 HydrophobicContact CG1-CD1 4.18Å; V245-I284 HydrophobicContact CG2-CD1 4.36Å; V245-F293 HydrophobicContact CG1-CE2 4.21Å; V245-T295 HydrophobicContact CG2-CG2 4.06Å
246	A	96.6	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.7	172.1	0	0	0	0	0	109.5	P219 L220 A237 V238 V262	P219-A246 HydrophobicContact CG-CB 3.52Å; L220-A246 HydrophobicContact CD1-CB 4.16Å; L220-A246 HydrophobicContact CD2-CB 3.94Å; L220-A246 HydrophobicContact CG-CB 3.91Å; A237-A246 CarbonylContact C-O 3.54Å; A237-A246 VanDerWaalsContact CA-O 3.28Å; A237-A246 WeakPolarHBondContact CA-O 3.44Å; V238-A246 PolarHBondContact N-O 3.09Å; V238-A246 PolarHBondContact O-N 2.94Å; A246-V262 HydrophobicContact CB-CG2 3.89Å
247	V	95.9	Very high	92.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.2	172.1	170.4	0	0	0	0	108.2	F230 F249 R260 Y261 F263 F293	F230-V247 HydrophobicContact CE2-CG1 4.2Å; F230-V247 HydrophobicContact CZ-CG1 3.59Å; V247-F249 HydrophobicContact CG1-CE2 4.47Å; V247-F249 HydrophobicContact CG1-CZ 4.31Å; V247-R260 WeakPolarHBondContact O-CA 3.43Å; V247-R260 WeakPolarHBondContact O-CB 3.34Å; V247-Y261 HydrophobicContact CB-CD1 4.12Å; V247-Y261 HydrophobicContact CB-CE1 3.69Å; V247-Y261 HydrophobicContact CG1-CD1 4.42Å; V247-Y261 HydrophobicContact CG1-CE1 3.85Å; V247-Y261 HydrophobicContact CG2-CE1 4.09Å; V247-Y261 HydrophobicContact CG2-CE2 4.48Å; V247-Y261 PolarHBondContact N-O 2.76Å; V247-Y261 PolarHBondContact O-N 3.44Å; V247-F263 HydrophobicContact CG2-CE1 4.28Å; V247-F293 HydrophobicContact CG2-CZ 4.38Å
248	E	94.3	Very high	92.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.9	-178.8	-71.2	-171.5	-133	0	0	111.5	R216 P219 G235 F236	R216-E248 IonicContact NH1-OE2 3.1Å; R216-E248 PolarHBondContact NH1-OE2 3.25Å; P219-E248 WeakPolarHBondContact CD-OE1 3.3Å; G235-E248 CarbonylContact C-O 3.49Å; G235-E248 WeakPolarHBondContact CA-O 3.36Å; F236-E248 HydrophobicContact CD1-CB 4.47Å; F236-E248 HydrophobicContact CD2-CB 4.32Å; F236-E248 HydrophobicContact CE1-CB 3.99Å; F236-E248 HydrophobicContact CE2-CB 3.79Å; F236-E248 HydrophobicContact CE2-CG 4.25Å; F236-E248 HydrophobicContact CZ-CB 3.61Å; F236-E248 HydrophobicContact CZ-CG 4.25Å; F236-E248 WeakPolarHBondContact CZ-OE2 3.09Å; F236-E248 PolarHBondContact N-O 2.96Å; F236-E248 PolarHBondContact O-N 3.44Å; F236-E248 VanDerWaalsContact O-O 3.14Å
249	F	92.8	Very high	92.1	Very high	13 Å²	13	49.2 Å²	49.2	6%	0.057	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.8	178.6	-61.7	-79	0	0	0	110.3	R216 F230 L234 V247 V256 Q257 Q259 F308	R216-F249 VanDerWaalsContact CZ-O 3.28Å; R216-F249 PolarHBondContact NH1-O 3.47Å; R216-F249 PolarHBondContact NH2-O 3.35Å; F230-F249 HydrophobicContact CE2-CD1 4.24Å; F230-F249 AromaticContact CE2-CE1 3.94Å; F230-F249 HydrophobicContact CE2-CE1 3.94Å; L234-F249 HydrophobicContact CB-CD1 4.49Å; L234-F249 WeakPolarHBondContact O-CA 3.36Å; V247-F249 HydrophobicContact CG1-CE2 4.47Å; V247-F249 HydrophobicContact CG1-CZ 4.31Å; F249-V256 HydrophobicContact CB-CG1 3.61Å; F249-V256 HydrophobicContact CD1-CG1 4.46Å; F249-V256 HydrophobicContact CD2-CG1 4.33Å; F249-V256 HydrophobicContact CG-CG1 3.89Å; F249-Q257 PolarHBondContact O-NE2 3.34Å; F249-Q259 HydrophobicContact CD2-CB 4.21Å; F249-Q259 HydrophobicContact CE2-CB 3.66Å; F249-Q259 HydrophobicContact CZ-CB 4.39Å; F249-F308 HydrophobicContact CE1-CE1 4.44Å
250	L	91.7	Very high	91.9	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	26%	0.261	C	S	.	.	S	Bend	trans	-78.9	-28.2	-175.6	-73	168.7	0	0	0	113.1	C187 I192 V202 Q214 R216 L234 F236	C187-L250 HydrophobicContact CB-CD1 4.31Å; C187-L250 VanDerWaalsContact SG-CD1 3.58Å; I192-L250 HydrophobicContact CD1-CD1 4.3Å; I192-L250 HydrophobicContact CD1-CD2 4.01Å; I192-L250 HydrophobicContact CG1-CD2 4.4Å; V202-L250 HydrophobicContact CG1-CD2 4.01Å; V202-L250 HydrophobicContact CG2-CD2 3.97Å; Q214-L250 PolarHBondContact NE2-O 2.78Å; Q214-L250 PolarHBondContact OE1-O 3.24Å; R216-L250 PolarHBondContact NH2-O 3.32Å; R216-L250 VanDerWaalsContact NH2-O 3.11Å; L234-L250 PolarHBondContact O-N 3.12Å; F236-L250 HydrophobicContact CD1-CD2 3.83Å; F236-L250 HydrophobicContact CD1-CG 4.17Å; F236-L250 HydrophobicContact CE1-CD2 3.8Å; F236-L250 HydrophobicContact CE1-CG 4.46Å
251	D	89.5	Confident	91.9	Very high	71 Å²	71	57.6 Å²	57.6	38%	0.38	27%	0.268	S	S	.	.			trans	-63.4	121.4	178	-168.2	-21.3	0	0	0	110.7	D253 V256 Q257	D251-D253 PolarHBondContact O-N 2.93Å; D251-D253 WeakPolarHBondContact OD1-CB 3.49Å; D251-D253 PolarHBondContact OD1-N 3.23Å; D251-V256 HydrophobicContact CB-CB 4.29Å; D251-V256 HydrophobicContact CB-CG1 4.09Å; D251-V256 HydrophobicContact CB-CG2 4.37Å; D251-Q257 PolarHBondContact O-NE2 3.26Å
252	P	87.2	Confident	92	Very high	93 Å²	93	57.4 Å²	57.4	60%	0.604	27%	0.269	S	S	*	.			trans	-70.3	-8.9	179.7	30.5	-36.8	0	0	0	113.9	Y254	P252-Y254 PolarHBondContact O-N 3.04Å
253	D	90.2	Very high	92.1	Very high	91 Å²	91	57.8 Å²	57.8	49%	0.487	27%	0.271	S	S	.	.			trans	-54.4	131.9	180	-85.8	-7.3	0	0	0	112.2	D251 E255 V256 Q257	D251-D253 PolarHBondContact O-N 2.93Å; D251-D253 WeakPolarHBondContact OD1-CB 3.49Å; D251-D253 PolarHBondContact OD1-N 3.23Å; D253-E255 VanDerWaalsContact C-N 3.3Å; D253-E255 PolarHBondContact O-N 3.31Å; D253-V256 HydrophobicContact CB-CB 4.45Å; D253-V256 HydrophobicContact CB-CG2 4.04Å; D253-V256 PolarHBondContact O-N 2.91Å; D253-Q257 WeakPolarHBondContact O-CG 3.4Å; D253-Q257 PolarHBondContact O-N 3.09Å
254	Y	86.9	Confident	92.1	Very high	172 Å²	172	63 Å²	63	68%	0.675	29%	0.293	S	S	*	.	H	α-helix	trans	-56.1	-42	-174.9	175.3	-98.3	0	0	0	113.2	P252 V256 Q257 K258	P252-Y254 PolarHBondContact O-N 3.04Å; Y254-V256 VanDerWaalsContact C-N 3.33Å; Y254-V256 PolarHBondContact O-N 3.08Å; Y254-Q257 PolarHBondContact O-N 2.86Å; Y254-K258 PolarHBondContact O-N 3.49Å
255	E	89.1	Confident	92	Very high	129 Å²	129	60.2 Å²	60.2	60%	0.603	28%	0.284	S	S	*	.	H	α-helix	trans	-64.8	-36.8	179.6	-69.6	-61.1	152.5	0	0	112.2	D253	D253-E255 VanDerWaalsContact C-N 3.3Å; D253-E255 PolarHBondContact O-N 3.31Å
256	V	86.8	Confident	91.9	Very high	39 Å²	39	60.4 Å²	60.4	24%	0.236	29%	0.285	C	S	.	.	H	α-helix	trans	-73.8	-42.8	177.3	-174	0	0	0	0	110	F249 D251 D253 Y254 K258 Q259	F249-V256 HydrophobicContact CB-CG1 3.61Å; F249-V256 HydrophobicContact CD1-CG1 4.46Å; F249-V256 HydrophobicContact CD2-CG1 4.33Å; F249-V256 HydrophobicContact CG-CG1 3.89Å; D251-V256 HydrophobicContact CB-CB 4.29Å; D251-V256 HydrophobicContact CB-CG1 4.09Å; D251-V256 HydrophobicContact CB-CG2 4.37Å; D253-V256 HydrophobicContact CB-CB 4.45Å; D253-V256 HydrophobicContact CB-CG2 4.04Å; D253-V256 PolarHBondContact O-N 2.91Å; Y254-V256 VanDerWaalsContact C-N 3.33Å; Y254-V256 PolarHBondContact O-N 3.08Å; V256-K258 PolarHBondContact O-N 3.09Å; V256-Q259 WeakPolarHBondContact O-CB 3.44Å; V256-Q259 PolarHBondContact O-N 2.96Å
257	Q	87.7	Confident	91.7	Very high	29 Å²	29	63.5 Å²	63.5	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-31.1	176	-72.3	-58.4	-43.2	0	0	112.8	F249 D251 D253 Y254 Q259 R260	F249-Q257 PolarHBondContact O-NE2 3.34Å; D251-Q257 PolarHBondContact O-NE2 3.26Å; D253-Q257 WeakPolarHBondContact O-CG 3.4Å; D253-Q257 PolarHBondContact O-N 3.09Å; Y254-Q257 PolarHBondContact O-N 2.86Å; Q257-Q259 PolarHBondContact O-N 2.89Å; Q257-R260 WeakPolarHBondContact O-CB 3.42Å; Q257-R260 VanDerWaalsContact O-CD 3.3Å; Q257-R260 WeakPolarHBondContact O-CD 3.45Å; Q257-R260 WeakPolarHBondContact O-CG 3.48Å; Q257-R260 PolarHBondContact O-N 3.01Å
258	K	88.7	Confident	91.4	Very high	147 Å²	147	65.4 Å²	65.4	64%	0.639	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.3	173.9	-170.7	177.1	177.2	-177.2	0	113.1	Y254 V256 R260	Y254-K258 PolarHBondContact O-N 3.49Å; V256-K258 PolarHBondContact O-N 3.09Å; K258-R260 VanDerWaalsContact C-N 3.31Å
259	Q	88.7	Confident	91.2	Very high	92 Å²	92	72.1 Å²	72.1	43%	0.43	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.1	178	-58.5	-162.3	13.7	0	0	113.4	F249 V256 Q257 Y261 K310	F249-Q259 HydrophobicContact CD2-CB 4.21Å; F249-Q259 HydrophobicContact CE2-CB 3.66Å; F249-Q259 HydrophobicContact CZ-CB 4.39Å; V256-Q259 WeakPolarHBondContact O-CB 3.44Å; V256-Q259 PolarHBondContact O-N 2.96Å; Q257-Q259 PolarHBondContact O-N 2.89Å; Q259-Y261 WeakPolarHBondContact O-CD1 3.39Å; Q259-K310 PolarHBondContact O-NZ 3.43Å
260	R	92.6	Very high	90.8	Very high	137 Å²	137	73.7 Å²	73.7	52%	0.517	35%	0.348	S	S	.	.			trans	-55.8	142.1	178.3	83.3	-169	175.1	168.6	-1.4	110.7	V247 Q257 K258	V247-R260 WeakPolarHBondContact O-CA 3.43Å; V247-R260 WeakPolarHBondContact O-CB 3.34Å; Q257-R260 WeakPolarHBondContact O-CB 3.42Å; Q257-R260 VanDerWaalsContact O-CD 3.3Å; Q257-R260 WeakPolarHBondContact O-CD 3.45Å; Q257-R260 WeakPolarHBondContact O-CG 3.48Å; Q257-R260 PolarHBondContact O-N 3.01Å; K258-R260 VanDerWaalsContact C-N 3.31Å
261	Y	94.9	Very high	90.3	Very high	38 Å²	38	79.5 Å²	79.5	15%	0.149	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.5	-177.6	69.8	-80.2	0	0	0	111.7	V247 Q259 F263 P307 K310	V247-Y261 HydrophobicContact CB-CD1 4.12Å; V247-Y261 HydrophobicContact CB-CE1 3.69Å; V247-Y261 HydrophobicContact CG1-CD1 4.42Å; V247-Y261 HydrophobicContact CG1-CE1 3.85Å; V247-Y261 HydrophobicContact CG2-CE1 4.09Å; V247-Y261 HydrophobicContact CG2-CE2 4.48Å; V247-Y261 PolarHBondContact N-O 2.76Å; V247-Y261 PolarHBondContact O-N 3.44Å; Q259-Y261 WeakPolarHBondContact O-CD1 3.39Å; Y261-F263 HydrophobicContact CD2-CD1 4.17Å; Y261-F263 AromaticContact CE2-CD1 3.63Å; Y261-F263 HydrophobicContact CE2-CD1 3.63Å; Y261-F263 HydrophobicContact CE2-CE1 4.25Å; Y261-F263 HydrophobicContact CE2-CG 4.43Å; Y261-P307 WeakPolarHBondContact CE1-O 3.35Å; Y261-P307 VanDerWaalsContact OH-CA 3.3Å; Y261-P307 WeakPolarHBondContact OH-CA 3.31Å; Y261-P307 PolarHBondContact OH-O 3.33Å; Y261-K310 HydrophobicContact CD1-CD 3.97Å; Y261-K310 VanDerWaalsContact CD1-CE 3.49Å; Y261-K310 HydrophobicContact CD1-CG 4.32Å; Y261-K310 HydrophobicContact CD2-CD 4.22Å; Y261-K310 HydrophobicContact CD2-CG 4.48Å; Y261-K310 HydrophobicContact CE1-CD 4.05Å; Y261-K310 HydrophobicContact CE1-CG 3.88Å; Y261-K310 HydrophobicContact CE2-CB 4.25Å; Y261-K310 HydrophobicContact CE2-CD 4.31Å; Y261-K310 HydrophobicContact CE2-CG 4.07Å; Y261-K310 HydrophobicContact CG-CD 4.06Å
262	V	95.7	Very high	90.1	Very high	56 Å²	56	84.6 Å²	84.6	34%	0.339	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.9	178	-178.6	0	0	0	0	108.2	P219 L220 R244 V245 A246	P219-V262 HydrophobicContact CB-CG2 3.95Å; P219-V262 HydrophobicContact CG-CG2 3.95Å; L220-V262 HydrophobicContact CD2-CG1 3.6Å; L220-V262 HydrophobicContact CD2-CG2 4.43Å; R244-V262 HydrophobicContact CB-CG1 4.28Å; R244-V262 HydrophobicContact CG-CG1 4.49Å; V245-V262 WeakPolarHBondContact O-CA 3.5Å; A246-V262 HydrophobicContact CB-CG2 3.89Å
263	F	95.5	Very high	90.1	Very high	31 Å²	31	83.9 Å²	83.9	14%	0.136	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158	178.2	66.6	-83.8	0	0	0	111.6	R244 V245 V247 Y261 C265 F293 W305	R244-F263 WeakPolarHBondContact CA-O 3.23Å; V245-F263 HydrophobicContact CB-CD1 4.45Å; V245-F263 HydrophobicContact CB-CE1 3.7Å; V245-F263 HydrophobicContact CB-CE2 4.21Å; V245-F263 HydrophobicContact CB-CZ 3.57Å; V245-F263 HydrophobicContact CG1-CE1 3.73Å; V245-F263 HydrophobicContact CG1-CZ 3.82Å; V245-F263 HydrophobicContact CG2-CZ 4.36Å; V245-F263 PolarHBondContact N-O 3.13Å; V245-F263 WeakPolarHBondContact O-CD1 3.19Å; V245-F263 PolarHBondContact O-N 3.36Å; V247-F263 HydrophobicContact CG2-CE1 4.28Å; Y261-F263 HydrophobicContact CD2-CD1 4.17Å; Y261-F263 AromaticContact CE2-CD1 3.63Å; Y261-F263 HydrophobicContact CE2-CD1 3.63Å; Y261-F263 HydrophobicContact CE2-CE1 4.25Å; Y261-F263 HydrophobicContact CE2-CG 4.43Å; F263-C265 HydrophobicContact CD2-CB 4.34Å; F263-C265 HydrophobicContact CE2-CB 4.05Å; F263-F293 HydrophobicContact CE1-CE2 4.5Å; F263-F293 AromaticContact CE1-CZ 3.95Å; F263-F293 HydrophobicContact CE1-CZ 3.95Å; F263-F293 AromaticContact CZ-CE2 3.91Å; F263-F293 HydrophobicContact CZ-CE2 3.91Å; F263-F293 AromaticContact CZ-CZ 3.7Å; F263-F293 HydrophobicContact CZ-CZ 3.7Å; F263-W305 HydrophobicContact CD2-CD2 4.46Å; F263-W305 HydrophobicContact CD2-CE3 4.08Å; F263-W305 HydrophobicContact CD2-CH2 4.07Å; F263-W305 HydrophobicContact CD2-CZ2 4.45Å; F263-W305 AromaticContact CD2-CZ3 3.85Å; F263-W305 HydrophobicContact CD2-CZ3 3.85Å; F263-W305 AromaticContact CE2-CD2 3.6Å; F263-W305 HydrophobicContact CE2-CD2 3.6Å; F263-W305 AromaticContact CE2-CE2 3.68Å; F263-W305 AromaticContact CE2-CE3 3.66Å; F263-W305 HydrophobicContact CE2-CE3 3.66Å; F263-W305 HydrophobicContact CE2-CG 4.24Å; F263-W305 AromaticContact CE2-CH2 3.92Å; F263-W305 HydrophobicContact CE2-CH2 3.92Å; F263-W305 AromaticContact CE2-CZ2 3.87Å; F263-W305 HydrophobicContact CE2-CZ2 3.87Å; F263-W305 AromaticContact CE2-CZ3 3.79Å; F263-W305 HydrophobicContact CE2-CZ3 3.79Å; F263-W305 HydrophobicContact CZ-CD2 4.05Å; F263-W305 HydrophobicContact CZ-CE3 4.3Å; F263-W305 HydrophobicContact CZ-CG 4.22Å
264	K	94.8	Very high	89.8	Confident	110 Å²	110	82.1 Å²	82.1	48%	0.478	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	136.5	177.5	-63.6	179	179.7	-176.5	0	109.5
265	C	94.4	Very high	89.8	Confident	7 Å²	7	80.4 Å²	80.4	5%	0.047	40%	0.403	C	S	.	.			trans	-149.2	164.3	175.5	51	0	0	0	0	110.1	G243 F263 R267 W305	G243-C265 CarbonylContact C-O 3.56Å; G243-C265 WeakPolarHBondContact CA-O 3.48Å; G243-C265 PolarHBondContact O-N 2.87Å; F263-C265 HydrophobicContact CD2-CB 4.34Å; F263-C265 HydrophobicContact CE2-CB 4.05Å; C265-R267 PolarHBondContact O-N 3.31Å; C265-W305 HydrophobicContact CB-CH2 4.03Å; C265-W305 HydrophobicContact CB-CZ2 3.53Å
266	H	95.2	Very high	89.9	Confident	4 Å²	4	78.8 Å²	78.8	2%	0.019	40%	0.396	C	S	.	.	S	Bend	trans	52.4	57.8	-179.9	-57.6	-78.5	0	0	0	113.2	Y279 V281 T295 G297 D299 M301 N303	H266-Y279 WeakPolarHBondContact O-CB 3.47Å; H266-Y279 PolarHBondContact O-N 3.22Å; H266-V281 HydrophobicContact CB-CG2 4.36Å; H266-T295 PolarHBondContact CE1-O 2.87Å; H266-T295 WeakPolarHBondContact NE2-CB 3.43Å; H266-T295 PolarHBondContact NE2-O 3.43Å; H266-T295 PolarHBondContact NE2-OG1 2.73Å; H266-G297 PolarHBondContact CE1-N 3.22Å; H266-G297 VanDerWaalsContact ND1-CA 3.34Å; H266-G297 WeakPolarHBondContact ND1-CA 3.46Å; H266-G297 PolarHBondContact ND1-N 2.82Å; H266-D299 WeakPolarHBondContact CA-OD2 3.38Å; H266-D299 IonicContact CE1-OD1 3.15Å; H266-D299 IonicContact CG-OD1 3.48Å; H266-D299 IonicContact CG-OD2 2.78Å; H266-D299 IonicContact ND1-OD1 2.92Å; H266-D299 PolarHBondContact ND1-OD1 2.78Å; H266-D299 IonicContact ND1-OD2 2.68Å; H266-D299 PolarHBondContact ND1-OD2 3.05Å; H266-M301 PolarHBondContact CE1-O 3.39Å; H266-N303 PolarHBondContact CE1-ND2 2.94Å; H266-N303 VanDerWaalsContact CE1-ND2 3.25Å; H266-N303 PolarHBondContact NE2-ND2 3.04Å
267	R	93.1	Very high	90.1	Very high	65 Å²	65	80 Å²	80	25%	0.245	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.2	177.5	-61.8	177.6	-179.9	-128.9	-10.7	108.7	E242 G243 C265 E276 I277 V278	E242-R267 PolarHBondContact O-NH2 3.14Å; G243-R267 PolarHBondContact O-NE 3.42Å; C265-R267 PolarHBondContact O-N 3.31Å; R267-E276 IonicContact NH1-OE2 3.73Å; R267-I277 VanDerWaalsContact CA-O 3.31Å; R267-I277 WeakPolarHBondContact CA-O 2.93Å; R267-V278 HydrophobicContact CG-CG1 4.49Å; R267-V278 HydrophobicContact CG-CG2 4.27Å
268	S	90.2	Very high	90.3	Very high	41 Å²	41	81.4 Å²	81.4	29%	0.287	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.5	173.6	67.2	0	0	0	0	109.8	I277 Y279	S268-I277 PolarHBondContact N-O 2.93Å; S268-I277 PolarHBondContact O-N 3.25Å; S268-Y279 WeakPolarHBondContact OG-CE2 2.88Å
269	K	89.1	Confident	90.6	Very high	143 Å²	143	76.5 Å²	76.5	62%	0.622	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.9	170.5	-68.5	-176.7	179.3	-175.2	0	108.6	P271 E276	K269-P271 WeakPolarHBondContact O-CD 3.36Å; K269-E276 HydrophobicContact CG-CG 3.88Å
270	N	84.4	Confident	90.8	Very high	46 Å²	46	73.6 Å²	73.6	25%	0.246	38%	0.377	C	S	.	.			trans	-65.9	121.8	169.6	-171.4	-19.9	0	0	0	108.2	E272 T273 G274 Q275 I277	N270-E272 PolarHBondContact O-N 3.11Å; N270-E272 PolarHBondContact OD1-N 3.43Å; N270-E272 VanDerWaalsContact OD1-N 3.15Å; N270-T273 WeakPolarHBondContact CB-OG1 3.35Å; N270-G274 VanDerWaalsContact O-CA 3.3Å; N270-G274 WeakPolarHBondContact O-CA 3.36Å; N270-G274 PolarHBondContact O-N 3.39Å; N270-Q275 PolarHBondContact N-O 3.05Å; N270-I277 HydrophobicContact CB-CD1 4.14Å; N270-I277 HydrophobicContact CB-CG1 4.4Å
271	P	82.1	Confident	91	Very high	129 Å²	129	67 Å²	67	84%	0.838	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.2	-179	-21.7	31.9	0	0	0	113.1	K269	K269-P271 WeakPolarHBondContact O-CD 3.36Å
272	E	85.7	Confident	91.1	Very high	177 Å²	177	65.7 Å²	65.7	83%	0.827	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-43.6	-172.3	-62.2	-178.7	172.4	0	0	112.5	N270	N270-E272 PolarHBondContact O-N 3.11Å; N270-E272 PolarHBondContact OD1-N 3.43Å; N270-E272 VanDerWaalsContact OD1-N 3.15Å
273	T	85.7	Confident	91.1	Very high	78 Å²	78	63.4 Å²	63.4	48%	0.479	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-12.1	-174.2	63.5	0	0	0	0	113.5	N270 Q275	N270-T273 WeakPolarHBondContact CB-OG1 3.35Å; T273-Q275 PolarHBondContact O-N 3.4Å; T273-Q275 VanDerWaalsContact O-N 3.11Å; T273-Q275 WeakPolarHBondContact OG1-CB 3.4Å; T273-Q275 PolarHBondContact OG1-N 3.02Å
274	G	84.1	Confident	91.2	Very high	54 Å²	54	62 Å²	62	56%	0.557	33%	0.328	S	S	*	.			trans	67.9	0.5	-172.5	0	0	0	0	0	114.4	N270	N270-G274 VanDerWaalsContact O-CA 3.3Å; N270-G274 WeakPolarHBondContact O-CA 3.36Å; N270-G274 PolarHBondContact O-N 3.39Å
275	Q	88.2	Confident	91.2	Very high	137 Å²	137	57 Å²	57	64%	0.64	31%	0.308	S	S	*	.			trans	-71	135.5	-179.8	-68.2	179.4	-13.7	0	0	110.7	N270 T273 I277	N270-Q275 PolarHBondContact N-O 3.05Å; T273-Q275 PolarHBondContact O-N 3.4Å; T273-Q275 VanDerWaalsContact O-N 3.11Å; T273-Q275 WeakPolarHBondContact OG1-CB 3.4Å; T273-Q275 PolarHBondContact OG1-N 3.02Å; Q275-I277 PolarHBondContact O-N 3.22Å
276	E	90	Very high	91.3	Very high	94 Å²	94	58 Å²	58	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	112.6	172	-86	-173.3	-178	0	0	109.7	R267 K269	R267-E276 IonicContact NH1-OE2 3.73Å; K269-E276 HydrophobicContact CG-CG 3.88Å
277	I	90.4	Very high	91.2	Very high	65 Å²	65	58 Å²	58	33%	0.333	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.1	167.6	-51.7	175.1	0	0	0	107.5	R267 S268 N270 Q275 Y279	R267-I277 VanDerWaalsContact CA-O 3.31Å; R267-I277 WeakPolarHBondContact CA-O 2.93Å; S268-I277 PolarHBondContact N-O 2.93Å; S268-I277 PolarHBondContact O-N 3.25Å; N270-I277 HydrophobicContact CB-CD1 4.14Å; N270-I277 HydrophobicContact CB-CG1 4.4Å; Q275-I277 PolarHBondContact O-N 3.22Å; I277-Y279 HydrophobicContact CB-CE2 3.95Å; I277-Y279 HydrophobicContact CG2-CD2 4.21Å; I277-Y279 HydrophobicContact CG2-CE1 4.1Å; I277-Y279 HydrophobicContact CG2-CE2 3.52Å; I277-Y279 VanDerWaalsContact CG2-CZ 3.47Å
278	V	93.3	Very high	91.1	Very high	58 Å²	58	57.3 Å²	57.3	35%	0.352	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126	-176.3	178	0	0	0	0	108.5	E242 R267	E242-V278 WeakPolarHBondContact O-CG1 3.29Å; R267-V278 HydrophobicContact CG-CG1 4.49Å; R267-V278 HydrophobicContact CG-CG2 4.27Å
279	Y	93.5	Very high	91	Very high	45 Å²	45	60 Å²	60	18%	0.176	33%	0.33	C	S	.	.			trans	-109.9	141.3	-177.6	-65.1	-88.6	0	0	0	110.9	G243 H266 S268 I277 S298 D299	G243-Y279 WeakPolarHBondContact CA-O 3.34Å; G243-Y279 PolarHBondContact N-O 2.92Å; G243-Y279 VanDerWaalsContact N-O 3.15Å; H266-Y279 WeakPolarHBondContact O-CB 3.47Å; H266-Y279 PolarHBondContact O-N 3.22Å; S268-Y279 WeakPolarHBondContact OG-CE2 2.88Å; I277-Y279 HydrophobicContact CB-CE2 3.95Å; I277-Y279 HydrophobicContact CG2-CD2 4.21Å; I277-Y279 HydrophobicContact CG2-CE1 4.1Å; I277-Y279 HydrophobicContact CG2-CE2 3.52Å; I277-Y279 VanDerWaalsContact CG2-CZ 3.47Å; Y279-S298 WeakPolarHBondContact CB-OG 3.46Å; Y279-S298 WeakPolarHBondContact CD1-OG 3.44Å; Y279-D299 HydrophobicContact CD1-CB 4.09Å; Y279-D299 HydrophobicContact CD2-CB 3.65Å; Y279-D299 HydrophobicContact CE1-CB 4.38Å; Y279-D299 HydrophobicContact CE2-CB 3.96Å; Y279-D299 HydrophobicContact CG-CB 3.69Å
280	P	94.7	Very high	90.8	Very high	30 Å²	30	56 Å²	56	20%	0.195	31%	0.313	C	S	.	.			trans	-54.3	140.2	168.8	-29.1	34.1	0	0	0	113.5	I241 L282 G297 S298	I241-P280 HydrophobicContact CB-CB 4.33Å; I241-P280 HydrophobicContact CB-CG 4.34Å; I241-P280 HydrophobicContact CG2-CB 4.44Å; P280-L282 HydrophobicContact CB-CD2 4.05Å; P280-G297 WeakPolarHBondContact O-CA 3.35Å; P280-S298 VanDerWaalsContact CD-OG 3.31Å; P280-S298 WeakPolarHBondContact CD-OG 3.28Å; P280-S298 PolarHBondContact O-N 2.87Å; P280-S298 VanDerWaalsContact O-N 3.1Å
281	V	96.7	Very high	91	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	102.7	170.8	-174.2	0	0	0	0	108.2	R225 S239 S240 V245 H266	R225-V281 WeakPolarHBondContact CB-O 3.19Å; S239-V281 WeakPolarHBondContact CB-O 3.35Å; S239-V281 PolarHBondContact OG-O 3.06Å; S240-V281 PolarHBondContact O-N 3.28Å; V245-V281 HydrophobicContact CG2-CG1 3.95Å; H266-V281 HydrophobicContact CB-CG2 4.36Å
282	L	95.7	Very high	91.5	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-38.5	-167.8	-63.4	179	0	0	0	112.8	R225 C226 P280 G296 V323 I324	R225-L282 HydrophobicContact CG-CD2 4.19Å; C226-L282 WeakPolarHBondContact CB-O 3.17Å; P280-L282 HydrophobicContact CB-CD2 4.05Å; L282-G296 PolarHBondContact N-O 3.27Å; L282-V323 WeakPolarHBondContact CB-O 3.44Å; L282-I324 HydrophobicContact CD1-CG1 4.33Å
283	C	95.7	Very high	92	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.3	-175.5	56.5	0	0	0	0	113.3	T295 G296 I324	C283-T295 WeakPolarHBondContact O-CA 3.25Å; C283-G296 PolarHBondContact N-O 3.26Å; C283-G296 PolarHBondContact O-N 2.95Å; C283-I324 WeakPolarHBondContact CB-O 3.28Å
284	I	97.2	Very high	92.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.6	172.2	-61.3	172.2	0	0	0	107	R228 A237 V245 F286 F293 A294 T295	R228-I284 HydrophobicContact CB-CB 4.37Å; R228-I284 HydrophobicContact CB-CG2 4.11Å; R228-I284 HydrophobicContact CG-CB 4.04Å; R228-I284 HydrophobicContact CG-CG2 4.24Å; R228-I284 VanDerWaalsContact CG-O 3.3Å; R228-I284 WeakPolarHBondContact CG-O 3.43Å; A237-I284 HydrophobicContact CB-CD1 4.07Å; V245-I284 HydrophobicContact CG1-CD1 4.18Å; V245-I284 HydrophobicContact CG2-CD1 4.36Å; I284-F286 HydrophobicContact CG2-CD2 4.43Å; I284-F286 HydrophobicContact CG2-CE2 4.07Å; I284-F293 HydrophobicContact CG2-CB 4.32Å; I284-F293 HydrophobicContact CG2-CD2 4Å; I284-F293 HydrophobicContact CG2-CG 4.5Å; I284-A294 WeakPolarHBondContact CA-O 3.16Å; I284-T295 HydrophobicContact CG1-CG2 4.4Å
285	A	96.4	Very high	93.1	Very high	7 Å²	7	33.6 Å²	33.6	6%	0.058	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.9	171.8	0	0	0	0	0	110.1	F293 A294 M326 F328	A285-F293 CarbonylContact O-C 3.51Å; A285-F293 VanDerWaalsContact O-CA 3.23Å; A285-F293 WeakPolarHBondContact O-CA 3.45Å; A285-F293 WeakPolarHBondContact O-CB 3.42Å; A285-A294 HydrophobicContact CB-CB 4.49Å; A285-A294 PolarHBondContact N-O 2.73Å; A285-A294 PolarHBondContact O-N 2.94Å; A285-M326 HydrophobicContact CB-CB 4.13Å; A285-F328 HydrophobicContact CB-CD2 3.93Å; A285-F328 HydrophobicContact CB-CE2 4.18Å; A285-F328 WeakPolarHBondContact O-CE2 3.42Å
286	F	95.5	Very high	93.5	Very high	27 Å²	27	27 Å²	27	12%	0.118	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139.5	175.2	-82.8	-81.6	0	0	0	111.3	R228 S229 F230 P231 A237 I284 F293 F328	R228-F286 HydrophobicContact CB-CD2 3.78Å; R228-F286 HydrophobicContact CB-CE2 3.79Å; S229-F286 WeakPolarHBondContact O-CD2 3.17Å; F230-F286 AromaticContact CD1-CD1 3.93Å; F230-F286 HydrophobicContact CD1-CD1 3.93Å; F230-F286 AromaticContact CD1-CE1 3.15Å; F230-F286 HydrophobicContact CD1-CE1 3.15Å; F230-F286 HydrophobicContact CD1-CE2 4.04Å; F230-F286 AromaticContact CD1-CZ 3.23Å; F230-F286 HydrophobicContact CD1-CZ 3.23Å; F230-F286 HydrophobicContact CE1-CD1 4.43Å; F230-F286 AromaticContact CE1-CE1 3.3Å; F230-F286 HydrophobicContact CE1-CE1 3.3Å; F230-F286 HydrophobicContact CE1-CE2 4.36Å; F230-F286 AromaticContact CE1-CZ 3.26Å; F230-F286 HydrophobicContact CE1-CZ 3.26Å; F230-F286 HydrophobicContact CG-CE1 4.47Å; F230-F286 HydrophobicContact CG-CZ 4.5Å; P231-F286 HydrophobicContact CG-CB 4.48Å; A237-F286 HydrophobicContact CB-CE2 4.02Å; A237-F286 HydrophobicContact CB-CZ 3.78Å; I284-F286 HydrophobicContact CG2-CD2 4.43Å; I284-F286 HydrophobicContact CG2-CE2 4.07Å; F286-F293 HydrophobicContact CD1-CB 3.56Å; F286-F293 HydrophobicContact CD1-CD1 4.42Å; F286-F293 HydrophobicContact CD1-CG 4.36Å; F286-F293 HydrophobicContact CD2-CB 4.4Å; F286-F293 HydrophobicContact CE1-CB 3.44Å; F286-F293 VanDerWaalsContact CE1-CB 3.44Å; F286-F293 AromaticContact CE1-CD1 3.56Å; F286-F293 HydrophobicContact CE1-CD1 3.56Å; F286-F293 AromaticContact CE1-CG 3.74Å; F286-F293 HydrophobicContact CE1-CG 3.74Å; F286-F293 HydrophobicContact CE2-CB 4.35Å; F286-F293 HydrophobicContact CG-CB 4.02Å; F286-F293 HydrophobicContact CZ-CB 3.86Å; F286-F293 AromaticContact CZ-CD1 3.97Å; F286-F293 HydrophobicContact CZ-CD1 3.97Å; F286-F293 AromaticContact CZ-CG 3.94Å; F286-F293 HydrophobicContact CZ-CG 3.94Å; F286-F328 VanDerWaalsContact O-CD2 3.3Å; F286-F328 WeakPolarHBondContact O-CD2 3.49Å
287	H	93.9	Very high	93.8	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	13%	0.127	C	C	.	.			trans	-74.9	122.4	168.1	-170.4	-62.5	0	0	0	108.9	V289 H290 G291 T292 F328 G332	H287-V289 VanDerWaalsContact C-N 3.32Å; H287-V289 PolarHBondContact ND1-N 3.07Å; H287-V289 VanDerWaalsContact ND1-N 3.18Å; H287-V289 PolarHBondContact O-N 2.6Å; H287-H290 HydrophobicContact CB-CB 4.48Å; H287-H290 AromaticContact CD2-CD2 3.78Å; H287-H290 AromaticContact CE1-CD2 3.31Å; H287-H290 PolarHBondContact CE1-CD2 2.87Å; H287-H290 AromaticContact CE1-CG 3.89Å; H287-H290 AromaticContact CE1-NE2 3.78Å; H287-H290 AromaticContact CG-CD2 3.91Å; H287-H290 AromaticContact ND1-CD2 3.63Å; H287-H290 AromaticContact ND1-CG 3.87Å; H287-H290 PolarHBondContact ND1-N 2.94Å; H287-H290 VanDerWaalsContact ND1-N 3.2Å; H287-H290 AromaticContact NE2-CD2 3.37Å; H287-H290 PolarHBondContact NE2-CD2 3.11Å; H287-H290 AromaticContact NE2-NE2 3.86Å; H287-G291 PolarHBondContact O-N 3.01Å; H287-T292 WeakPolarHBondContact CB-O 3.46Å; H287-T292 PolarHBondContact N-O 2.93Å; H287-F328 HydrophobicContact CB-CD2 4.43Å; H287-F328 HydrophobicContact CB-CE2 4.29Å; H287-F328 HydrophobicContact CB-CZ 4.37Å; H287-F328 AromaticContact CD2-CD1 3.97Å; H287-F328 AromaticContact CD2-CE1 3.78Å; H287-G332 PolarHBondContact NE2-O 2.85Å
288	P	90.2	Very high	93.9	Very high	51 Å²	51	19.9 Å²	19.9	33%	0.331	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.2	-170.3	23.3	-33.2	0	0	0	113.2	S329 H330	P288-S329 WeakPolarHBondContact CG-O 3.3Å; P288-H330 VanDerWaalsContact CG-O 3.28Å; P288-H330 WeakPolarHBondContact CG-O 3.46Å
289	V	87.7	Confident	93.9	Very high	98 Å²	98	17.5 Å²	17.5	59%	0.594	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-47.4	-178.1	-174.5	0	0	0	0	114	H287 D331	H287-V289 VanDerWaalsContact C-N 3.32Å; H287-V289 PolarHBondContact ND1-N 3.07Å; H287-V289 VanDerWaalsContact ND1-N 3.18Å; H287-V289 PolarHBondContact O-N 2.6Å; V289-D331 WeakPolarHBondContact CG2-O 3.11Å
290	H	85.9	Confident	93.8	Very high	57 Å²	57	15.4 Å²	15.4	26%	0.264	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-19.7	-172	-60.6	-41.5	0	0	0	114.3	H287 T292 T368	H287-H290 HydrophobicContact CB-CB 4.48Å; H287-H290 AromaticContact CD2-CD2 3.78Å; H287-H290 AromaticContact CE1-CD2 3.31Å; H287-H290 PolarHBondContact CE1-CD2 2.87Å; H287-H290 AromaticContact CE1-CG 3.89Å; H287-H290 AromaticContact CE1-NE2 3.78Å; H287-H290 AromaticContact CG-CD2 3.91Å; H287-H290 AromaticContact ND1-CD2 3.63Å; H287-H290 AromaticContact ND1-CG 3.87Å; H287-H290 PolarHBondContact ND1-N 2.94Å; H287-H290 VanDerWaalsContact ND1-N 3.2Å; H287-H290 AromaticContact NE2-CD2 3.37Å; H287-H290 PolarHBondContact NE2-CD2 3.11Å; H287-H290 AromaticContact NE2-NE2 3.86Å; H290-T292 HydrophobicContact CB-CG2 4.44Å; H290-T292 PolarHBondContact O-N 3.17Å; H290-T368 PolarHBondContact CD2-OG1 3.48Å
291	G	87.5	Confident	93.8	Very high	10 Å²	10	15.3 Å²	15.3	10%	0.103	9%	0.089	C	C	.	.			trans	71.3	9.5	-174.9	0	0	0	0	0	114.4	H287 P307	H287-G291 PolarHBondContact O-N 3.01Å; G291-P307 WeakPolarHBondContact O-CD 3.35Å; G291-P307 VanDerWaalsContact O-CG 3.24Å; G291-P307 WeakPolarHBondContact O-CG 3.44Å
292	T	93	Very high	93.8	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.025	9%	0.089	C	C	.	.			trans	-81.9	166.7	168	54.1	0	0	0	0	110.4	H287 H290 W305 D306 L313 T368	H287-T292 WeakPolarHBondContact CB-O 3.46Å; H287-T292 PolarHBondContact N-O 2.93Å; H290-T292 HydrophobicContact CB-CG2 4.44Å; H290-T292 PolarHBondContact O-N 3.17Å; T292-W305 WeakPolarHBondContact CA-O 3.48Å; T292-W305 VanDerWaalsContact CB-O 3.27Å; T292-W305 WeakPolarHBondContact CB-O 3.45Å; T292-D306 HydrophobicContact CG2-CB 4.32Å; T292-L313 HydrophobicContact CG2-CD1 3.83Å; T292-T368 WeakPolarHBondContact CB-O 3.5Å; T292-T368 WeakPolarHBondContact CG2-O 3.38Å; T292-T368 PolarHBondContact OG1-O 2.8Å
293	F	95.7	Very high	93.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.2	-179.9	63.5	-80.5	0	0	0	113.8	V245 V247 F263 I284 A285 F286 T295 I304 W305 P307	V245-F293 HydrophobicContact CG1-CE2 4.21Å; V247-F293 HydrophobicContact CG2-CZ 4.38Å; F263-F293 HydrophobicContact CE1-CE2 4.5Å; F263-F293 AromaticContact CE1-CZ 3.95Å; F263-F293 HydrophobicContact CE1-CZ 3.95Å; F263-F293 AromaticContact CZ-CE2 3.91Å; F263-F293 HydrophobicContact CZ-CE2 3.91Å; F263-F293 AromaticContact CZ-CZ 3.7Å; F263-F293 HydrophobicContact CZ-CZ 3.7Å; I284-F293 HydrophobicContact CG2-CB 4.32Å; I284-F293 HydrophobicContact CG2-CD2 4Å; I284-F293 HydrophobicContact CG2-CG 4.5Å; A285-F293 CarbonylContact O-C 3.51Å; A285-F293 VanDerWaalsContact O-CA 3.23Å; A285-F293 WeakPolarHBondContact O-CA 3.45Å; A285-F293 WeakPolarHBondContact O-CB 3.42Å; F286-F293 HydrophobicContact CD1-CB 3.56Å; F286-F293 HydrophobicContact CD1-CD1 4.42Å; F286-F293 HydrophobicContact CD1-CG 4.36Å; F286-F293 HydrophobicContact CD2-CB 4.4Å; F286-F293 HydrophobicContact CE1-CB 3.44Å; F286-F293 VanDerWaalsContact CE1-CB 3.44Å; F286-F293 AromaticContact CE1-CD1 3.56Å; F286-F293 HydrophobicContact CE1-CD1 3.56Å; F286-F293 AromaticContact CE1-CG 3.74Å; F286-F293 HydrophobicContact CE1-CG 3.74Å; F286-F293 HydrophobicContact CE2-CB 4.35Å; F286-F293 HydrophobicContact CG-CB 4.02Å; F286-F293 HydrophobicContact CZ-CB 3.86Å; F286-F293 AromaticContact CZ-CD1 3.97Å; F286-F293 HydrophobicContact CZ-CD1 3.97Å; F286-F293 AromaticContact CZ-CG 3.94Å; F286-F293 HydrophobicContact CZ-CG 3.94Å; F293-T295 HydrophobicContact CD2-CG2 3.75Å; F293-T295 HydrophobicContact CE2-CG2 3.63Å; F293-I304 CarbonylContact O-C 3.57Å; F293-I304 WeakPolarHBondContact O-CA 3.49Å; F293-W305 HydrophobicContact CD1-CB 4.23Å; F293-W305 HydrophobicContact CD2-CB 4.33Å; F293-W305 HydrophobicContact CE1-CB 3.75Å; F293-W305 HydrophobicContact CE2-CB 3.88Å; F293-W305 AromaticContact CE2-CD1 3.79Å; F293-W305 HydrophobicContact CE2-CG 4.01Å; F293-W305 HydrophobicContact CG-CB 4.49Å; F293-W305 HydrophobicContact CZ-CB 3.58Å; F293-W305 HydrophobicContact CZ-CG 4.07Å; F293-W305 PolarHBondContact N-O 2.91Å; F293-W305 PolarHBondContact O-N 3.39Å; F293-P307 HydrophobicContact CD1-CB 4.24Å; F293-P307 HydrophobicContact CD1-CG 4.11Å; F293-P307 HydrophobicContact CE1-CB 3.8Å; F293-P307 HydrophobicContact CE1-CG 4.14Å
294	A	96.9	Very high	93.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.7	171.2	0	0	0	0	0	110.3	I284 A285 V302 N303 I304 M326 F328	I284-A294 WeakPolarHBondContact CA-O 3.16Å; A285-A294 HydrophobicContact CB-CB 4.49Å; A285-A294 PolarHBondContact N-O 2.73Å; A285-A294 PolarHBondContact O-N 2.94Å; A294-V302 HydrophobicContact CB-CG1 4.24Å; A294-N303 CarbonylContact C-O 3.54Å; A294-N303 VanDerWaalsContact CA-O 3.3Å; A294-N303 WeakPolarHBondContact CA-O 3.4Å; A294-I304 HydrophobicContact CB-CD1 3.39Å; A294-M326 HydrophobicContact CB-CE 3.72Å; A294-M326 HydrophobicContact CB-SD 4.49Å; A294-F328 HydrophobicContact CB-CE2 3.91Å; A294-F328 HydrophobicContact CB-CZ 4.22Å
295	T	98	Very high	93.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.3	168.3	64.4	0	0	0	0	109.5	V245 H266 C283 I284 F293 V302 N303 W305 M326	V245-T295 HydrophobicContact CG2-CG2 4.06Å; H266-T295 PolarHBondContact CE1-O 2.87Å; H266-T295 WeakPolarHBondContact NE2-CB 3.43Å; H266-T295 PolarHBondContact NE2-O 3.43Å; H266-T295 PolarHBondContact NE2-OG1 2.73Å; C283-T295 WeakPolarHBondContact O-CA 3.25Å; I284-T295 HydrophobicContact CG1-CG2 4.4Å; F293-T295 HydrophobicContact CD2-CG2 3.75Å; F293-T295 HydrophobicContact CE2-CG2 3.63Å; T295-V302 WeakPolarHBondContact O-CA 3.48Å; T295-N303 PolarHBondContact N-O 2.78Å; T295-N303 PolarHBondContact O-N 3.04Å; T295-W305 PolarHBondContact OG1-NE1 2.77Å; T295-M326 VanDerWaalsContact C-CE 3.41Å
296	G	96.6	Very high	93.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.8	176.7	0	0	0	0	0	108.8	L282 C283	L282-G296 PolarHBondContact N-O 3.27Å; C283-G296 PolarHBondContact N-O 3.26Å; C283-G296 PolarHBondContact O-N 2.95Å
297	G	95.2	Very high	93.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	168.1	-179.7	0	0	0	0	0	111.4	H266 P280 D299 G300 M301 V323	H266-G297 PolarHBondContact CE1-N 3.22Å; H266-G297 VanDerWaalsContact ND1-CA 3.34Å; H266-G297 WeakPolarHBondContact ND1-CA 3.46Å; H266-G297 PolarHBondContact ND1-N 2.82Å; P280-G297 WeakPolarHBondContact O-CA 3.35Å; G297-D299 WeakPolarHBondContact CA-OD1 3.46Å; G297-D299 PolarHBondContact O-N 2.84Å; G297-G300 PolarHBondContact O-N 2.83Å; G297-M301 PolarHBondContact N-O 3.2Å; G297-V323 PolarHBondContact O-N 3.35Å; G297-V323 VanDerWaalsContact O-N 3.12Å
298	S	93.3	Very high	92.8	Very high	8 Å²	8	19.2 Å²	19.2	6%	0.056	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.2	177.1	71.6	0	0	0	0	115.5	Y279 P280 G300 S322 E344	Y279-S298 WeakPolarHBondContact CB-OG 3.46Å; Y279-S298 WeakPolarHBondContact CD1-OG 3.44Å; P280-S298 VanDerWaalsContact CD-OG 3.31Å; P280-S298 WeakPolarHBondContact CD-OG 3.28Å; P280-S298 PolarHBondContact O-N 2.87Å; P280-S298 VanDerWaalsContact O-N 3.1Å; S298-G300 PolarHBondContact O-N 3.5Å; S298-S322 PolarHBondContact O-OG 2.65Å; S298-E344 WeakPolarHBondContact CB-OE1 3.23Å; S298-E344 WeakPolarHBondContact CB-OE2 3.38Å; S298-E344 VanDerWaalsContact OG-CD 3.32Å; S298-E344 PolarHBondContact OG-OE1 3.38Å; S298-E344 PolarHBondContact OG-OE2 2.88Å
299	D	92.2	Very high	92.6	Very high	8 Å²	8	21 Å²	21	4%	0.043	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-2	161.1	62.3	-12.6	0	0	0	113	H266 Y279 G297 M301 R318	H266-D299 WeakPolarHBondContact CA-OD2 3.38Å; H266-D299 IonicContact CE1-OD1 3.15Å; H266-D299 IonicContact CG-OD1 3.48Å; H266-D299 IonicContact CG-OD2 2.78Å; H266-D299 IonicContact ND1-OD1 2.92Å; H266-D299 PolarHBondContact ND1-OD1 2.78Å; H266-D299 IonicContact ND1-OD2 2.68Å; H266-D299 PolarHBondContact ND1-OD2 3.05Å; Y279-D299 HydrophobicContact CD1-CB 4.09Å; Y279-D299 HydrophobicContact CD2-CB 3.65Å; Y279-D299 HydrophobicContact CE1-CB 4.38Å; Y279-D299 HydrophobicContact CE2-CB 3.96Å; Y279-D299 HydrophobicContact CG-CB 3.69Å; G297-D299 WeakPolarHBondContact CA-OD1 3.46Å; G297-D299 PolarHBondContact O-N 2.84Å; D299-M301 HydrophobicContact CB-CG 4.3Å; D299-M301 PolarHBondContact O-N 2.96Å; D299-M301 PolarHBondContact OD1-N 2.93Å; D299-M301 VanDerWaalsContact OD1-N 3.1Å; D299-M301 WeakPolarHBondContact OD2-CB 3.33Å; D299-M301 WeakPolarHBondContact OD2-CG 3.25Å; D299-R318 PolarHBondContact O-NE 2.81Å; D299-R318 PolarHBondContact O-NH1 2.87Å; D299-R318 PolarHBondContact O-NH2 2.68Å
300	G	92.1	Very high	92.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	71.2	14.7	-176.7	0	0	0	0	0	112.9	G297 S298 R318 Y319 T321	G297-G300 PolarHBondContact O-N 2.83Å; S298-G300 PolarHBondContact O-N 3.5Å; G300-R318 CarbonylContact O-C 3.59Å; G300-Y319 WeakPolarHBondContact O-CD2 3.28Å; G300-Y319 PolarHBondContact O-N 3.11Å; G300-T321 WeakPolarHBondContact CA-O 3.49Å
301	M	94.5	Very high	92.9	Very high	28 Å²	28	26 Å²	26	14%	0.138	12%	0.123	C	C	.	.			trans	-100	150.9	177.9	-57.5	-61.3	-70.4	0	0	110.4	H266 G297 D299 Q315 F316 R318	H266-M301 PolarHBondContact CE1-O 3.39Å; G297-M301 PolarHBondContact N-O 3.2Å; D299-M301 HydrophobicContact CB-CG 4.3Å; D299-M301 PolarHBondContact O-N 2.96Å; D299-M301 PolarHBondContact OD1-N 2.93Å; D299-M301 VanDerWaalsContact OD1-N 3.1Å; D299-M301 WeakPolarHBondContact OD2-CB 3.33Å; D299-M301 WeakPolarHBondContact OD2-CG 3.25Å; M301-Q315 HydrophobicContact CE-CG 3.55Å; M301-Q315 VanDerWaalsContact CE-NE2 3.3Å; M301-F316 WeakPolarHBondContact CE-O 3.18Å; M301-R318 WeakPolarHBondContact SD-CA 3.38Å; M301-R318 HydrophobicContact SD-CB 3.49Å; M301-R318 WeakPolarHBondContact SD-CB 2.94Å; M301-R318 HydrophobicContact SD-CG 3.78Å
302	V	96.1	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.2	165.7	178.8	0	0	0	0	108.7	A294 T295 I304 F316 Y319 V323 M326 I337	A294-V302 HydrophobicContact CB-CG1 4.24Å; T295-V302 WeakPolarHBondContact O-CA 3.48Å; V302-I304 HydrophobicContact CG1-CD1 4.4Å; V302-F316 HydrophobicContact CB-CB 4.29Å; V302-F316 HydrophobicContact CB-CD2 3.74Å; V302-F316 HydrophobicContact CB-CG 4.36Å; V302-F316 HydrophobicContact CG1-CD2 3.72Å; V302-F316 HydrophobicContact CG1-CE2 4Å; V302-F316 PolarHBondContact O-N 3.44Å; V302-Y319 HydrophobicContact CB-CE2 4.35Å; V302-Y319 HydrophobicContact CG2-CD2 4.07Å; V302-Y319 HydrophobicContact CG2-CE2 3.71Å; V302-V323 HydrophobicContact CG2-CG1 4.18Å; V302-V323 HydrophobicContact CG2-CG2 3.98Å; V302-M326 HydrophobicContact CB-SD 4.25Å; V302-M326 HydrophobicContact CG1-CE 4.21Å; V302-M326 HydrophobicContact CG1-SD 3.64Å; V302-M326 HydrophobicContact CG2-SD 3.56Å; V302-M326 VanDerWaalsContact CG2-SD 3.56Å; V302-I337 HydrophobicContact CG2-CD1 4.3Å; V302-I337 HydrophobicContact CG2-CG2 4.18Å
303	N	95.9	Very high	93.1	Very high	3 Å²	3	34 Å²	34	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.3	177.7	-65	-69.6	0	0	0	109.8	H266 A294 T295 W305 R312 Q315	H266-N303 PolarHBondContact CE1-ND2 2.94Å; H266-N303 VanDerWaalsContact CE1-ND2 3.25Å; H266-N303 PolarHBondContact NE2-ND2 3.04Å; A294-N303 CarbonylContact C-O 3.54Å; A294-N303 VanDerWaalsContact CA-O 3.3Å; A294-N303 WeakPolarHBondContact CA-O 3.4Å; T295-N303 PolarHBondContact N-O 2.78Å; T295-N303 PolarHBondContact O-N 3.04Å; N303-W305 HydrophobicContact CB-CZ2 3.66Å; N303-W305 VanDerWaalsContact CB-NE1 3.32Å; N303-W305 PolarHBondContact O-NE1 2.85Å; N303-R312 WeakPolarHBondContact OD1-CD 3.45Å; N303-R312 PolarHBondContact OD1-NH1 2.88Å; N303-Q315 WeakPolarHBondContact OD1-CB 3.42Å; N303-Q315 VanDerWaalsContact OD1-CG 3.25Å; N303-Q315 WeakPolarHBondContact OD1-CG 3.34Å; N303-Q315 PolarHBondContact OD1-NE2 2.83Å
304	I	95.6	Very high	92.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.5	173.4	-49.5	-59.1	0	0	0	109.7	F293 A294 V302 L313 S314 F316 F328 T368	F293-I304 CarbonylContact O-C 3.57Å; F293-I304 WeakPolarHBondContact O-CA 3.49Å; A294-I304 HydrophobicContact CB-CD1 3.39Å; V302-I304 HydrophobicContact CG1-CD1 4.4Å; I304-L313 HydrophobicContact CG2-CB 4.49Å; I304-L313 HydrophobicContact CG2-CD1 4.37Å; I304-L313 PolarHBondContact O-N 2.93Å; I304-S314 WeakPolarHBondContact CB-OG 3.43Å; I304-S314 WeakPolarHBondContact CG1-OG 3.4Å; I304-S314 PolarHBondContact N-O 2.93Å; I304-F316 HydrophobicContact CD1-CE2 4.29Å; I304-F316 HydrophobicContact CD1-CZ 4.15Å; I304-F316 HydrophobicContact CG1-CE1 4.35Å; I304-F316 HydrophobicContact CG1-CZ 3.99Å; I304-F328 HydrophobicContact CD1-CZ 4.4Å; I304-T368 HydrophobicContact CG2-CG2 4.39Å
305	W	95	Very high	92.6	Very high	28 Å²	28	39.2 Å²	39.2	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.4	-173.4	-52.8	88.8	0	0	0	111.5	F263 C265 T292 F293 T295 N303 R312	F263-W305 HydrophobicContact CD2-CD2 4.46Å; F263-W305 HydrophobicContact CD2-CE3 4.08Å; F263-W305 HydrophobicContact CD2-CH2 4.07Å; F263-W305 HydrophobicContact CD2-CZ2 4.45Å; F263-W305 AromaticContact CD2-CZ3 3.85Å; F263-W305 HydrophobicContact CD2-CZ3 3.85Å; F263-W305 AromaticContact CE2-CD2 3.6Å; F263-W305 HydrophobicContact CE2-CD2 3.6Å; F263-W305 AromaticContact CE2-CE2 3.68Å; F263-W305 AromaticContact CE2-CE3 3.66Å; F263-W305 HydrophobicContact CE2-CE3 3.66Å; F263-W305 HydrophobicContact CE2-CG 4.24Å; F263-W305 AromaticContact CE2-CH2 3.92Å; F263-W305 HydrophobicContact CE2-CH2 3.92Å; F263-W305 AromaticContact CE2-CZ2 3.87Å; F263-W305 HydrophobicContact CE2-CZ2 3.87Å; F263-W305 AromaticContact CE2-CZ3 3.79Å; F263-W305 HydrophobicContact CE2-CZ3 3.79Å; F263-W305 HydrophobicContact CZ-CD2 4.05Å; F263-W305 HydrophobicContact CZ-CE3 4.3Å; F263-W305 HydrophobicContact CZ-CG 4.22Å; C265-W305 HydrophobicContact CB-CH2 4.03Å; C265-W305 HydrophobicContact CB-CZ2 3.53Å; T292-W305 WeakPolarHBondContact CA-O 3.48Å; T292-W305 VanDerWaalsContact CB-O 3.27Å; T292-W305 WeakPolarHBondContact CB-O 3.45Å; F293-W305 HydrophobicContact CD1-CB 4.23Å; F293-W305 HydrophobicContact CD2-CB 4.33Å; F293-W305 HydrophobicContact CE1-CB 3.75Å; F293-W305 HydrophobicContact CE2-CB 3.88Å; F293-W305 AromaticContact CE2-CD1 3.79Å; F293-W305 HydrophobicContact CE2-CG 4.01Å; F293-W305 HydrophobicContact CG-CB 4.49Å; F293-W305 HydrophobicContact CZ-CB 3.58Å; F293-W305 HydrophobicContact CZ-CG 4.07Å; F293-W305 PolarHBondContact N-O 2.91Å; F293-W305 PolarHBondContact O-N 3.39Å; T295-W305 PolarHBondContact OG1-NE1 2.77Å; N303-W305 HydrophobicContact CB-CZ2 3.66Å; N303-W305 VanDerWaalsContact CB-NE1 3.32Å; N303-W305 PolarHBondContact O-NE1 2.85Å; W305-R312 HydrophobicContact CD2-CB 4.35Å; W305-R312 HydrophobicContact CD2-CG 4.34Å; W305-R312 HydrophobicContact CE3-CB 3.66Å; W305-R312 HydrophobicContact CE3-CG 4.12Å; W305-R312 HydrophobicContact CH2-CB 4.03Å; W305-R312 HydrophobicContact CH2-CG 4.12Å; W305-R312 HydrophobicContact CZ2-CG 4.31Å; W305-R312 HydrophobicContact CZ3-CB 3.5Å; W305-R312 HydrophobicContact CZ3-CG 4.04Å
306	D	91.1	Very high	92.4	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.059	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.7	166.5	-176.3	-23.5	0	0	0	109.7	T292 F308 N309 K310 K311 L313 A370	T292-D306 HydrophobicContact CG2-CB 4.32Å; D306-F308 VanDerWaalsContact C-N 3.3Å; D306-F308 PolarHBondContact O-N 3.06Å; D306-F308 PolarHBondContact OD1-N 3.47Å; D306-N309 HydrophobicContact CB-CB 4.21Å; D306-N309 PolarHBondContact OD1-N 2.92Å; D306-N309 WeakPolarHBondContact OD2-CB 3.46Å; D306-N309 PolarHBondContact OD2-ND2 2.85Å; D306-K310 WeakPolarHBondContact O-CA 3.41Å; D306-K310 PolarHBondContact O-N 2.84Å; D306-K311 PolarHBondContact N-O 3.21Å; D306-K311 PolarHBondContact O-N 3.14Å; D306-L313 HydrophobicContact CB-CD1 4.21Å; D306-L313 HydrophobicContact CB-CD2 4.14Å; D306-L313 HydrophobicContact CB-CG 4.19Å; D306-A370 HydrophobicContact CB-CB 4.31Å; D306-A370 WeakPolarHBondContact OD2-CB 3.46Å
307	P	90.1	Very high	92.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.013	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.7	-179.3	22.5	-27.8	0	0	0	113.3	F230 Y261 G291 F293	F230-P307 HydrophobicContact CE1-CB 3.97Å; F230-P307 HydrophobicContact CE1-CG 4.12Å; F230-P307 HydrophobicContact CZ-CB 3.94Å; F230-P307 HydrophobicContact CZ-CG 4.46Å; Y261-P307 WeakPolarHBondContact CE1-O 3.35Å; Y261-P307 VanDerWaalsContact OH-CA 3.3Å; Y261-P307 WeakPolarHBondContact OH-CA 3.31Å; Y261-P307 PolarHBondContact OH-O 3.33Å; G291-P307 WeakPolarHBondContact O-CD 3.35Å; G291-P307 VanDerWaalsContact O-CG 3.24Å; G291-P307 WeakPolarHBondContact O-CG 3.44Å; F293-P307 HydrophobicContact CD1-CB 4.24Å; F293-P307 HydrophobicContact CD1-CG 4.11Å; F293-P307 HydrophobicContact CE1-CB 3.8Å; F293-P307 HydrophobicContact CE1-CG 4.14Å
308	F	86.2	Confident	91.9	Very high	95 Å²	95	48 Å²	48	42%	0.417	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-40.5	-174.3	-59.6	-72.4	0	0	0	111.6	F249 D306 K310	F249-F308 HydrophobicContact CE1-CE1 4.44Å; D306-F308 VanDerWaalsContact C-N 3.3Å; D306-F308 PolarHBondContact O-N 3.06Å; D306-F308 PolarHBondContact OD1-N 3.47Å; F308-K310 VanDerWaalsContact C-N 3.31Å
309	N	86.7	Confident	91.9	Very high	89 Å²	89	47.8 Å²	47.8	48%	0.476	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.3	176.3	-70.8	-42	0	0	0	113.5	D306 K311	D306-N309 HydrophobicContact CB-CB 4.21Å; D306-N309 PolarHBondContact OD1-N 2.92Å; D306-N309 WeakPolarHBondContact OD2-CB 3.46Å; D306-N309 PolarHBondContact OD2-ND2 2.85Å; N309-K311 VanDerWaalsContact C-N 3.28Å; N309-K311 WeakPolarHBondContact O-CG 3.2Å; N309-K311 PolarHBondContact O-N 2.87Å
310	K	90.8	Very high	91.7	Very high	114 Å²	114	50.9 Å²	50.9	50%	0.496	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	39.8	179.2	-50.2	-171.2	179	-169.4	0	112.9	Q259 Y261 D306 F308	Q259-K310 PolarHBondContact O-NZ 3.43Å; Y261-K310 HydrophobicContact CD1-CD 3.97Å; Y261-K310 VanDerWaalsContact CD1-CE 3.49Å; Y261-K310 HydrophobicContact CD1-CG 4.32Å; Y261-K310 HydrophobicContact CD2-CD 4.22Å; Y261-K310 HydrophobicContact CD2-CG 4.48Å; Y261-K310 HydrophobicContact CE1-CD 4.05Å; Y261-K310 HydrophobicContact CE1-CG 3.88Å; Y261-K310 HydrophobicContact CE2-CB 4.25Å; Y261-K310 HydrophobicContact CE2-CD 4.31Å; Y261-K310 HydrophobicContact CE2-CG 4.07Å; Y261-K310 HydrophobicContact CG-CD 4.06Å; D306-K310 WeakPolarHBondContact O-CA 3.41Å; D306-K310 PolarHBondContact O-N 2.84Å; F308-K310 VanDerWaalsContact C-N 3.31Å
311	K	89.3	Confident	91.6	Very high	145 Å²	145	51.4 Å²	51.4	63%	0.63	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.6	-175.2	-76.6	178.9	-178.4	-176.7	0	111.9	D306 N309	D306-K311 PolarHBondContact N-O 3.21Å; D306-K311 PolarHBondContact O-N 3.14Å; N309-K311 VanDerWaalsContact C-N 3.28Å; N309-K311 WeakPolarHBondContact O-CG 3.2Å; N309-K311 PolarHBondContact O-N 2.87Å
312	R	92.8	Very high	91.6	Very high	126 Å²	126	50.4 Å²	50.4	48%	0.475	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.1	164.8	-168.6	170.1	60.1	167.5	3.4	108.6	N303 W305	N303-R312 WeakPolarHBondContact OD1-CD 3.45Å; N303-R312 PolarHBondContact OD1-NH1 2.88Å; W305-R312 HydrophobicContact CD2-CB 4.35Å; W305-R312 HydrophobicContact CD2-CG 4.34Å; W305-R312 HydrophobicContact CE3-CB 3.66Å; W305-R312 HydrophobicContact CE3-CG 4.12Å; W305-R312 HydrophobicContact CH2-CB 4.03Å; W305-R312 HydrophobicContact CH2-CG 4.12Å; W305-R312 HydrophobicContact CZ2-CG 4.31Å; W305-R312 HydrophobicContact CZ3-CB 3.5Å; W305-R312 HydrophobicContact CZ3-CG 4.04Å
313	L	90.5	Very high	91.6	Very high	56 Å²	56	50.4 Å²	50.4	29%	0.293	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-51.9	178.7	-60.9	-177.2	0	0	0	110.9	T292 I304 D306 A370	T292-L313 HydrophobicContact CG2-CD1 3.83Å; I304-L313 HydrophobicContact CG2-CB 4.49Å; I304-L313 HydrophobicContact CG2-CD1 4.37Å; I304-L313 PolarHBondContact O-N 2.93Å; D306-L313 HydrophobicContact CB-CD1 4.21Å; D306-L313 HydrophobicContact CB-CD2 4.14Å; D306-L313 HydrophobicContact CB-CG 4.19Å; L313-A370 HydrophobicContact CD1-CB 4.3Å; L313-A370 HydrophobicContact CD2-CB 3.74Å
314	S	91.1	Very high	91.5	Very high	21 Å²	21	51.3 Å²	51.3	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	-176.4	59.5	0	0	0	0	110.9	I304 E367	I304-S314 WeakPolarHBondContact CB-OG 3.43Å; I304-S314 WeakPolarHBondContact CG1-OG 3.4Å; I304-S314 PolarHBondContact N-O 2.93Å; S314-E367 PolarHBondContact OG-O 3.49Å
315	Q	92.5	Very high	91.5	Very high	89 Å²	89	51.9 Å²	51.9	42%	0.416	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.5	172.4	175.5	168.6	36.2	0	0	106.7	M301 N303	M301-Q315 HydrophobicContact CE-CG 3.55Å; M301-Q315 VanDerWaalsContact CE-NE2 3.3Å; N303-Q315 WeakPolarHBondContact OD1-CB 3.42Å; N303-Q315 VanDerWaalsContact OD1-CG 3.25Å; N303-Q315 WeakPolarHBondContact OD1-CG 3.34Å; N303-Q315 PolarHBondContact OD1-NE2 2.83Å
316	F	92.6	Very high	91.6	Very high	11 Å²	11	50.8 Å²	50.8	5%	0.048	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-78.8	172.7	177.4	-62.1	-19.4	0	0	0	111.2	M301 V302 I304 Y319 L335 I337	M301-F316 WeakPolarHBondContact CE-O 3.18Å; V302-F316 HydrophobicContact CB-CB 4.29Å; V302-F316 HydrophobicContact CB-CD2 3.74Å; V302-F316 HydrophobicContact CB-CG 4.36Å; V302-F316 HydrophobicContact CG1-CD2 3.72Å; V302-F316 HydrophobicContact CG1-CE2 4Å; V302-F316 PolarHBondContact O-N 3.44Å; I304-F316 HydrophobicContact CD1-CE2 4.29Å; I304-F316 HydrophobicContact CD1-CZ 4.15Å; I304-F316 HydrophobicContact CG1-CE1 4.35Å; I304-F316 HydrophobicContact CG1-CZ 3.99Å; F316-Y319 HydrophobicContact CB-CE2 4.46Å; F316-L335 HydrophobicContact CE2-CD2 3.82Å; F316-I337 HydrophobicContact CD2-CD1 4.47Å
317	H	90.6	Very high	91.8	Very high	52 Å²	52	52.4 Å²	52.4	24%	0.241	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-64.6	164.6	174.1	68.4	-85.8	0	0	0	110.6	I7 E13 Y319	I7-H317 HydrophobicContact CG2-CB 4.5Å; I7-H317 VanDerWaalsContact CG2-CD2 3.41Å; I7-H317 WeakPolarHBondContact CG2-CD2 3.06Å; E13-H317 IonicContact OE1-CE1 2.71Å; E13-H317 PolarHBondContact OE1-CE1 3.4Å; E13-H317 IonicContact OE1-NE2 3.16Å; E13-H317 IonicContact OE2-CE1 2.71Å; E13-H317 PolarHBondContact OE2-CE1 2.8Å; H317-Y319 AromaticContact CE1-CE1 3.89Å; H317-Y319 AromaticContact CE1-CZ 3.85Å; H317-Y319 AromaticContact NE2-CE1 3.72Å; H317-Y319 PolarHBondContact O-N 2.8Å
318	R	91.5	Very high	92	Very high	122 Å²	122	52.9 Å²	52.9	46%	0.46	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-75.5	120.4	177.3	-167.9	178	179.4	99.5	-0.5	109.4	I7 D299 G300 M301	I7-R318 WeakPolarHBondContact CD1-O 3.24Å; D299-R318 PolarHBondContact O-NE 2.81Å; D299-R318 PolarHBondContact O-NH1 2.87Å; D299-R318 PolarHBondContact O-NH2 2.68Å; G300-R318 CarbonylContact O-C 3.59Å; M301-R318 WeakPolarHBondContact SD-CA 3.38Å; M301-R318 HydrophobicContact SD-CB 3.49Å; M301-R318 WeakPolarHBondContact SD-CB 2.94Å; M301-R318 HydrophobicContact SD-CG 3.78Å
319	Y	92.2	Very high	92.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.008	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-72.3	159.4	169.8	-68.9	-81.8	0	0	0	110.6	E13 G300 V302 F316 H317 T321 V323 I337 Y359	E13-Y319 WeakPolarHBondContact OE1-CE1 3.48Å; E13-Y319 PolarHBondContact OE2-OH 2.94Å; G300-Y319 WeakPolarHBondContact O-CD2 3.28Å; G300-Y319 PolarHBondContact O-N 3.11Å; V302-Y319 HydrophobicContact CB-CE2 4.35Å; V302-Y319 HydrophobicContact CG2-CD2 4.07Å; V302-Y319 HydrophobicContact CG2-CE2 3.71Å; F316-Y319 HydrophobicContact CB-CE2 4.46Å; H317-Y319 AromaticContact CE1-CE1 3.89Å; H317-Y319 AromaticContact CE1-CZ 3.85Å; H317-Y319 AromaticContact NE2-CE1 3.72Å; H317-Y319 PolarHBondContact O-N 2.8Å; Y319-T321 PolarHBondContact O-N 2.73Å; Y319-T321 VanDerWaalsContact O-N 3.16Å; Y319-V323 HydrophobicContact CD2-CG2 4.06Å; Y319-V323 HydrophobicContact CG-CG2 4.45Å; Y319-I337 HydrophobicContact CD2-CG2 4.36Å; Y319-I337 HydrophobicContact CE1-CD1 4.32Å; Y319-I337 HydrophobicContact CE1-CG2 4.41Å; Y319-I337 HydrophobicContact CE2-CD1 3.95Å; Y319-I337 HydrophobicContact CE2-CG2 4.17Å; Y319-I337 WeakPolarHBondContact OH-CD1 3.28Å; Y319-Y359 AromaticContact CD1-CD2 3.73Å; Y319-Y359 HydrophobicContact CD1-CD2 3.73Å; Y319-Y359 AromaticContact CD1-CE2 3.86Å; Y319-Y359 HydrophobicContact CD1-CE2 3.86Å; Y319-Y359 HydrophobicContact CD1-CG 4.18Å; Y319-Y359 HydrophobicContact CE1-CD1 4.44Å; Y319-Y359 AromaticContact CE1-CD2 3.92Å; Y319-Y359 HydrophobicContact CE1-CD2 3.92Å; Y319-Y359 HydrophobicContact CE1-CE2 4.43Å; Y319-Y359 AromaticContact CE1-CG 3.93Å; Y319-Y359 HydrophobicContact CE1-CG 3.93Å
320	P	88.4	Confident	92.3	Very high	74 Å²	74	48.9 Å²	48.9	48%	0.481	23%	0.227	S	C	.	.	S	Bend	trans	-61	-28.1	-174.5	-22.5	33.1	0	0	0	113.7	Y359	P320-Y359 WeakPolarHBondContact CG-OH 3.4Å
321	T	91.3	Very high	92.1	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	21%	0.214	C	C	.	.	S	Bend	trans	-142.4	-177.3	-174	67	0	0	0	0	111.7	G300 Y319 C339 S340 P354	G300-T321 WeakPolarHBondContact CA-O 3.49Å; Y319-T321 PolarHBondContact O-N 2.73Å; Y319-T321 VanDerWaalsContact O-N 3.16Å; T321-C339 VanDerWaalsContact OG1-CB 3.31Å; T321-C339 WeakPolarHBondContact OG1-CB 3.38Å; T321-S340 PolarHBondContact OG1-N 3.26Å; T321-S340 VanDerWaalsContact OG1-N 3.09Å; T321-P354 HydrophobicContact CG2-CB 3.18Å; T321-P354 HydrophobicContact CG2-CG 3.13Å
322	S	94	Very high	92.1	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.049	19%	0.185	C	C	.	.			trans	-61.3	133.7	177.1	-49.8	0	0	0	0	111.7	S298 I324 C339 S340	S298-S322 PolarHBondContact O-OG 2.65Å; S322-I324 PolarHBondContact O-N 3.4Å; S322-C339 WeakPolarHBondContact O-CA 3.4Å; S322-S340 WeakPolarHBondContact CB-O 3.47Å; S322-S340 PolarHBondContact O-N 2.77Å; S322-S340 VanDerWaalsContact O-O 3.09Å
323	V	95.9	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	103.1	179	-179.6	0	0	0	0	109.2	L282 G297 V302 Y319 M326 I337 A338	L282-V323 WeakPolarHBondContact CB-O 3.44Å; G297-V323 PolarHBondContact O-N 3.35Å; G297-V323 VanDerWaalsContact O-N 3.12Å; V302-V323 HydrophobicContact CG2-CG1 4.18Å; V302-V323 HydrophobicContact CG2-CG2 3.98Å; Y319-V323 HydrophobicContact CD2-CG2 4.06Å; Y319-V323 HydrophobicContact CG-CG2 4.45Å; V323-M326 HydrophobicContact CG1-CG 3.57Å; V323-M326 HydrophobicContact CG1-SD 3.76Å; V323-I337 HydrophobicContact CG1-CG2 3.66Å; V323-I337 HydrophobicContact CG2-CG2 4.16Å; V323-A338 CarbonylContact C-O 3.49Å; V323-A338 WeakPolarHBondContact CA-O 3.46Å
324	I	94.3	Very high	92	Very high	23 Å²	23	34.8 Å²	34.8	12%	0.118	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-42.2	-171.6	-56.5	-160.1	0	0	0	112.1	V24 L282 C283 S322 A338 S340 Q342	V24-I324 WeakPolarHBondContact O-CG2 3.46Å; L282-I324 HydrophobicContact CD1-CG1 4.33Å; C283-I324 WeakPolarHBondContact CB-O 3.28Å; S322-I324 PolarHBondContact O-N 3.4Å; I324-A338 PolarHBondContact N-O 2.77Å; I324-S340 WeakPolarHBondContact CD1-O 3.32Å; I324-S340 WeakPolarHBondContact CG1-O 3.4Å; I324-Q342 HydrophobicContact CD1-CB 4.43Å; I324-Q342 HydrophobicContact CD1-CG 4.18Å
325	S	95	Very high	92.2	Very high	12 Å²	12	33.8 Å²	33.8	8%	0.084	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.3	-175.4	-170.5	0	0	0	0	111.1	V27 A338	V27-S325 PolarHBondContact N-OG 2.87Å; V27-S325 VanDerWaalsContact N-OG 3.14Å; S325-A338 PolarHBondContact O-N 2.77Å
326	M	96	Very high	92.3	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.025	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146	178.8	-66.7	-171.7	-52	0	0	110.3	A285 A294 T295 V302 V323 L335 A336 I337	A285-M326 HydrophobicContact CB-CB 4.13Å; A294-M326 HydrophobicContact CB-CE 3.72Å; A294-M326 HydrophobicContact CB-SD 4.49Å; T295-M326 VanDerWaalsContact C-CE 3.41Å; V302-M326 HydrophobicContact CB-SD 4.25Å; V302-M326 HydrophobicContact CG1-CE 4.21Å; V302-M326 HydrophobicContact CG1-SD 3.64Å; V302-M326 HydrophobicContact CG2-SD 3.56Å; V302-M326 VanDerWaalsContact CG2-SD 3.56Å; V323-M326 HydrophobicContact CG1-CG 3.57Å; V323-M326 HydrophobicContact CG1-SD 3.76Å; M326-L335 HydrophobicContact CB-CD1 4.36Å; M326-A336 WeakPolarHBondContact CA-O 3.29Å; M326-I337 HydrophobicContact CG-CG1 4.32Å; M326-I337 HydrophobicContact CG-CG2 4.32Å; M326-I337 HydrophobicContact SD-CG1 4.36Å
327	E	95.3	Very high	92.5	Very high	45 Å²	45	29 Å²	29	21%	0.21	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	140	174.1	-172.5	162.5	134.9	0	0	111.7	H28 F29 A336	H28-E327 VanDerWaalsContact CA-OE2 3.3Å; H28-E327 WeakPolarHBondContact CA-OE2 3.43Å; H28-E327 IonicContact CE1-OE2 3.79Å; H28-E327 IonicContact CG-OE2 2.87Å; H28-E327 IonicContact ND1-OE2 3.91Å; H28-E327 PolarHBondContact ND1-OE2 3.37Å; H28-E327 VanDerWaalsContact ND1-OE2 3.09Å; F29-E327 HydrophobicContact CD2-CB 4.37Å; F29-E327 HydrophobicContact CD2-CG 4.34Å; F29-E327 WeakPolarHBondContact CD2-O 3.27Å; F29-E327 WeakPolarHBondContact CE2-O 3.42Å; F29-E327 PolarHBondContact N-OE1 3.3Å; E327-A336 PolarHBondContact N-O 2.87Å; E327-A336 PolarHBondContact O-N 2.94Å
328	F	95.1	Very high	92.7	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.053	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.7	170.6	-77.3	-82.8	0	0	0	110.5	A285 F286 H287 A294 I304 Y334 L335 V363 T368	A285-F328 HydrophobicContact CB-CD2 3.93Å; A285-F328 HydrophobicContact CB-CE2 4.18Å; A285-F328 WeakPolarHBondContact O-CE2 3.42Å; F286-F328 VanDerWaalsContact O-CD2 3.3Å; F286-F328 WeakPolarHBondContact O-CD2 3.49Å; H287-F328 HydrophobicContact CB-CD2 4.43Å; H287-F328 HydrophobicContact CB-CE2 4.29Å; H287-F328 HydrophobicContact CB-CZ 4.37Å; H287-F328 AromaticContact CD2-CD1 3.97Å; H287-F328 AromaticContact CD2-CE1 3.78Å; A294-F328 HydrophobicContact CB-CE2 3.91Å; A294-F328 HydrophobicContact CB-CZ 4.22Å; I304-F328 HydrophobicContact CD1-CZ 4.4Å; F328-Y334 CarbonylContact C-O 3.59Å; F328-Y334 WeakPolarHBondContact CA-O 3.39Å; F328-L335 HydrophobicContact CD1-CB 4.12Å; F328-L335 HydrophobicContact CD1-CD1 4Å; F328-L335 HydrophobicContact CD2-CD1 3.86Å; F328-L335 HydrophobicContact CE1-CB 4.02Å; F328-L335 HydrophobicContact CE1-CD1 3.97Å; F328-L335 HydrophobicContact CE1-CD2 4.39Å; F328-L335 HydrophobicContact CE1-CG 4.35Å; F328-L335 HydrophobicContact CE2-CD1 3.82Å; F328-L335 HydrophobicContact CG-CD1 3.95Å; F328-L335 HydrophobicContact CZ-CD1 3.88Å; F328-L335 HydrophobicContact CZ-CD2 4.25Å; F328-L335 HydrophobicContact CZ-CG 4.49Å; F328-V363 HydrophobicContact CE1-CG2 4.15Å; F328-T368 HydrophobicContact CE1-CG2 4.32Å; F328-T368 HydrophobicContact CZ-CG2 4.42Å
329	S	92.2	Very high	92.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.			trans	-60.6	158.8	167.4	58.2	0	0	0	0	110.8	P288 D331 G332 T333 Y334	P288-S329 WeakPolarHBondContact CG-O 3.3Å; S329-D331 VanDerWaalsContact CB-OD1 3.25Å; S329-D331 WeakPolarHBondContact CB-OD1 3.34Å; S329-D331 PolarHBondContact O-N 2.96Å; S329-D331 PolarHBondContact OG-OD1 3.3Å; S329-G332 WeakPolarHBondContact O-CA 3.3Å; S329-G332 PolarHBondContact O-N 3.37Å; S329-T333 PolarHBondContact OG-N 3.21Å; S329-Y334 PolarHBondContact N-O 3.18Å; S329-Y334 PolarHBondContact OG-N 3.12Å; S329-Y334 PolarHBondContact OG-O 2.99Å
330	H	87.4	Confident	92.8	Very high	100 Å²	100	20.7 Å²	20.7	46%	0.463	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.6	-174	103.6	73.4	0	0	0	113.7	P31 P288	P31-H330 VanDerWaalsContact O-CB 3.31Å; P31-H330 WeakPolarHBondContact O-CB 3.33Å; P288-H330 VanDerWaalsContact CG-O 3.28Å; P288-H330 WeakPolarHBondContact CG-O 3.46Å
331	D	86	Confident	92.8	Very high	42 Å²	42	19 Å²	19	23%	0.225	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13	178.4	64.4	-18.3	0	0	0	112.8	V289 S329 T333	V289-D331 WeakPolarHBondContact CG2-O 3.11Å; S329-D331 VanDerWaalsContact CB-OD1 3.25Å; S329-D331 WeakPolarHBondContact CB-OD1 3.34Å; S329-D331 PolarHBondContact O-N 2.96Å; S329-D331 PolarHBondContact OG-OD1 3.3Å; D331-T333 VanDerWaalsContact C-N 3.34Å; D331-T333 HydrophobicContact CB-CG2 4.43Å; D331-T333 PolarHBondContact OD1-N 3.13Å; D331-T333 PolarHBondContact OD1-OG1 3.16Å; D331-T333 WeakPolarHBondContact OD2-CB 3.3Å; D331-T333 WeakPolarHBondContact OD2-CG2 3.37Å; D331-T333 PolarHBondContact OD2-OG1 2.96Å
332	G	89.5	Confident	92.5	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.031	11%	0.106	C	C	.	.	S	Bend	trans	81	5.3	-178.9	0	0	0	0	0	115.1	H287 S329	H287-G332 PolarHBondContact NE2-O 2.85Å; S329-G332 WeakPolarHBondContact O-CA 3.3Å; S329-G332 PolarHBondContact O-N 3.37Å
333	T	89.8	Confident	91.9	Very high	50 Å²	50	27.6 Å²	27.6	31%	0.307	13%	0.131	S	C	.	.	S	Bend	trans	-74	-28.4	-176.8	57.7	0	0	0	0	113.4	S329 D331 K362 V363	S329-T333 PolarHBondContact OG-N 3.21Å; D331-T333 VanDerWaalsContact C-N 3.34Å; D331-T333 HydrophobicContact CB-CG2 4.43Å; D331-T333 PolarHBondContact OD1-N 3.13Å; D331-T333 PolarHBondContact OD1-OG1 3.16Å; D331-T333 WeakPolarHBondContact OD2-CB 3.3Å; D331-T333 WeakPolarHBondContact OD2-CG2 3.37Å; D331-T333 PolarHBondContact OD2-OG1 2.96Å; T333-K362 WeakPolarHBondContact O-CA 3.4Å; T333-V363 PolarHBondContact O-N 3.45Å
334	Y	92.2	Very high	91	Very high	50 Å²	50	30.3 Å²	30.3	20%	0.196	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.5	178.7	-65.9	-82	0	0	0	111.3	E34 F328 S329 V360 R361 K362	E34-Y334 HydrophobicContact CB-CD2 4.08Å; E34-Y334 HydrophobicContact CG-CD2 4.2Å; E34-Y334 HydrophobicContact CG-CE2 4.12Å; F328-Y334 CarbonylContact C-O 3.59Å; F328-Y334 WeakPolarHBondContact CA-O 3.39Å; S329-Y334 PolarHBondContact N-O 3.18Å; S329-Y334 PolarHBondContact OG-N 3.12Å; S329-Y334 PolarHBondContact OG-O 2.99Å; Y334-V360 HydrophobicContact CD1-CG1 3.86Å; Y334-V360 HydrophobicContact CG-CG1 4.36Å; Y334-R361 CarbonylContact C-O 3.58Å; Y334-R361 WeakPolarHBondContact CA-O 3.42Å; Y334-K362 HydrophobicContact CD1-CB 3.98Å; Y334-K362 HydrophobicContact CD1-CG 4.42Å; Y334-K362 HydrophobicContact CE1-CB 3.75Å; Y334-K362 HydrophobicContact CE1-CD 4.35Å; Y334-K362 HydrophobicContact CE1-CG 4.04Å
335	L	94.8	Very high	90.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.8	171.3	178	67.6	0	0	0	108.4	F316 M326 F328 I337 R361 V363	F316-L335 HydrophobicContact CE2-CD2 3.82Å; M326-L335 HydrophobicContact CB-CD1 4.36Å; F328-L335 HydrophobicContact CD1-CB 4.12Å; F328-L335 HydrophobicContact CD1-CD1 4Å; F328-L335 HydrophobicContact CD2-CD1 3.86Å; F328-L335 HydrophobicContact CE1-CB 4.02Å; F328-L335 HydrophobicContact CE1-CD1 3.97Å; F328-L335 HydrophobicContact CE1-CD2 4.39Å; F328-L335 HydrophobicContact CE1-CG 4.35Å; F328-L335 HydrophobicContact CE2-CD1 3.82Å; F328-L335 HydrophobicContact CG-CD1 3.95Å; F328-L335 HydrophobicContact CZ-CD1 3.88Å; F328-L335 HydrophobicContact CZ-CD2 4.25Å; F328-L335 HydrophobicContact CZ-CG 4.49Å; L335-I337 HydrophobicContact CD2-CD1 3.98Å; L335-I337 HydrophobicContact CD2-CG1 4.07Å; L335-I337 HydrophobicContact CG-CD1 4.28Å; L335-I337 HydrophobicContact CG-CG1 3.91Å; L335-R361 PolarHBondContact N-O 2.82Å; L335-R361 PolarHBondContact O-N 3.23Å; L335-V363 HydrophobicContact CB-CG2 3.58Å
336	A	94.6	Very high	89.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.5	171.1	0	0	0	0	0	108.9	V27 F29 L37 M326 E327 Y359	V27-A336 HydrophobicContact CG2-CB 4.23Å; F29-A336 HydrophobicContact CD2-CB 4.23Å; F29-A336 HydrophobicContact CE2-CB 3.48Å; F29-A336 VanDerWaalsContact CE2-CB 3.48Å; F29-A336 HydrophobicContact CZ-CB 3.94Å; L37-A336 HydrophobicContact CD1-CB 3.66Å; L37-A336 HydrophobicContact CD2-CB 4.15Å; M326-A336 WeakPolarHBondContact CA-O 3.29Å; E327-A336 PolarHBondContact N-O 2.87Å; E327-A336 PolarHBondContact O-N 2.94Å; A336-Y359 CarbonylContact C-O 3.58Å; A336-Y359 WeakPolarHBondContact CA-O 3.22Å
337	I	95.7	Very high	88.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	108.4	-175.4	-55.5	171.5	0	0	0	107.9	V302 F316 Y319 V323 M326 L335 I358 Y359	V302-I337 HydrophobicContact CG2-CD1 4.3Å; V302-I337 HydrophobicContact CG2-CG2 4.18Å; F316-I337 HydrophobicContact CD2-CD1 4.47Å; Y319-I337 HydrophobicContact CD2-CG2 4.36Å; Y319-I337 HydrophobicContact CE1-CD1 4.32Å; Y319-I337 HydrophobicContact CE1-CG2 4.41Å; Y319-I337 HydrophobicContact CE2-CD1 3.95Å; Y319-I337 HydrophobicContact CE2-CG2 4.17Å; Y319-I337 WeakPolarHBondContact OH-CD1 3.28Å; V323-I337 HydrophobicContact CG1-CG2 3.66Å; V323-I337 HydrophobicContact CG2-CG2 4.16Å; M326-I337 HydrophobicContact CG-CG1 4.32Å; M326-I337 HydrophobicContact CG-CG2 4.32Å; M326-I337 HydrophobicContact SD-CG1 4.36Å; L335-I337 HydrophobicContact CD2-CD1 3.98Å; L335-I337 HydrophobicContact CD2-CG1 4.07Å; L335-I337 HydrophobicContact CG-CD1 4.28Å; L335-I337 HydrophobicContact CG-CG1 3.91Å; I337-I358 CarbonylContact O-C 3.57Å; I337-I358 WeakPolarHBondContact O-CA 3.42Å; I337-Y359 PolarHBondContact N-O 3.13Å; I337-Y359 PolarHBondContact O-N 2.85Å
338	A	95.2	Very high	87.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.4	176.2	0	0	0	0	0	110.8	V24 V27 V323 I324 S325 I358	V24-A338 HydrophobicContact CB-CB 4Å; V24-A338 HydrophobicContact CG1-CB 3.69Å; V27-A338 HydrophobicContact CG1-CB 3.82Å; V27-A338 HydrophobicContact CG2-CB 4.27Å; V323-A338 CarbonylContact C-O 3.49Å; V323-A338 WeakPolarHBondContact CA-O 3.46Å; I324-A338 PolarHBondContact N-O 2.77Å; S325-A338 PolarHBondContact O-N 2.77Å; A338-I358 HydrophobicContact CB-CG1 4.36Å
339	C	94.5	Very high	86.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.3	-176	-59.4	0	0	0	0	109.3	T321 S322 S357 Y359	T321-C339 VanDerWaalsContact OG1-CB 3.31Å; T321-C339 WeakPolarHBondContact OG1-CB 3.38Å; S322-C339 WeakPolarHBondContact O-CA 3.4Å; C339-S357 PolarHBondContact N-O 2.84Å; C339-S357 PolarHBondContact O-N 3.21Å; C339-Y359 HydrophobicContact CB-CE2 4.35Å
340	S	92.8	Very high	86.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.			trans	-152.1	146.8	-178	-80.3	0	0	0	0	109.9	V24 T321 S322 I324 D356	V24-S340 PolarHBondContact N-OG 3.44Å; T321-S340 PolarHBondContact OG1-N 3.26Å; T321-S340 VanDerWaalsContact OG1-N 3.09Å; S322-S340 WeakPolarHBondContact CB-O 3.47Å; S322-S340 PolarHBondContact O-N 2.77Å; S322-S340 VanDerWaalsContact O-O 3.09Å; I324-S340 WeakPolarHBondContact CD1-O 3.32Å; I324-S340 WeakPolarHBondContact CG1-O 3.4Å; S340-D356 VanDerWaalsContact CA-OD1 3.28Å; S340-D356 WeakPolarHBondContact CA-OD1 3.48Å; S340-D356 WeakPolarHBondContact CB-OD1 3.18Å; S340-D356 VanDerWaalsContact OG-CG 3.32Å; S340-D356 PolarHBondContact OG-OD1 2.88Å
341	Y	88.5	Confident	85.8	Confident	40 Å²	40	59.4 Å²	59.4	16%	0.157	31%	0.306	C	S	.	.			trans	-82	123.9	-177.4	-175.4	-111.4	0	0	0	111.4	F343 P350 F353	Y341-F343 HydrophobicContact CD1-CD1 4.24Å; Y341-F343 HydrophobicContact CD1-CD2 4.49Å; Y341-F343 HydrophobicContact CD1-CE1 4.44Å; Y341-F343 HydrophobicContact CD1-CG 4.27Å; Y341-F343 VanDerWaalsContact CE1-CA 3.45Å; Y341-F343 HydrophobicContact CE1-CB 4.33Å; Y341-F343 AromaticContact CE1-CD1 3.9Å; Y341-F343 HydrophobicContact CE1-CD1 3.9Å; Y341-F343 HydrophobicContact CE1-CE1 4.4Å; Y341-F343 HydrophobicContact CE1-CG 4.1Å; Y341-P350 HydrophobicContact CD2-CG 4.18Å; Y341-P350 HydrophobicContact CE1-CG 4.28Å; Y341-P350 HydrophobicContact CE2-CG 3.95Å; Y341-P350 HydrophobicContact CG-CG 4.46Å; Y341-P350 WeakPolarHBondContact OH-CD 3.48Å; Y341-F353 AromaticContact CD1-CD1 3.79Å; Y341-F353 HydrophobicContact CD1-CD1 3.79Å; Y341-F353 AromaticContact CD1-CE1 3.85Å; Y341-F353 HydrophobicContact CD1-CE1 3.85Å; Y341-F353 HydrophobicContact CE1-CD1 4.12Å; Y341-F353 AromaticContact CE1-CE1 3.77Å; Y341-F353 HydrophobicContact CE1-CE1 3.77Å
342	Q	83.3	Confident	85.7	Confident	67 Å²	67	62.6 Å²	62.6	31%	0.313	33%	0.329	S	S	.	.			trans	-101.5	20.9	-174.3	-135.4	-165	-85.3	0	0	114.5	I324 E344	I324-Q342 HydrophobicContact CD1-CB 4.43Å; I324-Q342 HydrophobicContact CD1-CG 4.18Å; Q342-E344 VanDerWaalsContact C-N 3.29Å; Q342-E344 HydrophobicContact CB-CG 4.06Å; Q342-E344 PolarHBondContact O-N 2.93Å
343	F	82.1	Confident	85.4	Confident	131 Å²	131	67.7 Å²	67.7	58%	0.575	35%	0.351	S	S	*	.			trans	56.7	36.2	178.7	-63.3	-87.6	0	0	0	115.1	Y341 C345 F353	Y341-F343 HydrophobicContact CD1-CD1 4.24Å; Y341-F343 HydrophobicContact CD1-CD2 4.49Å; Y341-F343 HydrophobicContact CD1-CE1 4.44Å; Y341-F343 HydrophobicContact CD1-CG 4.27Å; Y341-F343 VanDerWaalsContact CE1-CA 3.45Å; Y341-F343 HydrophobicContact CE1-CB 4.33Å; Y341-F343 AromaticContact CE1-CD1 3.9Å; Y341-F343 HydrophobicContact CE1-CD1 3.9Å; Y341-F343 HydrophobicContact CE1-CE1 4.4Å; Y341-F343 HydrophobicContact CE1-CG 4.1Å; F343-C345 VanDerWaalsContact C-N 3.31Å; F343-C345 PolarHBondContact O-N 3.2Å; F343-F353 HydrophobicContact CD1-CE1 4.37Å; F343-F353 AromaticContact CE1-CE1 3.76Å; F343-F353 HydrophobicContact CE1-CE1 3.76Å; F343-F353 AromaticContact CE1-CZ 3.8Å; F343-F353 HydrophobicContact CE1-CZ 3.8Å; F343-F353 HydrophobicContact CZ-CE1 4.42Å
344	E	77.9	Confident	85.2	Confident	56 Å²	56	67 Å²	67	26%	0.262	35%	0.348	S	S	.	.			trans	-74.7	-20.4	-171.6	-54.3	-172.2	179.3	0	0	114.6	S298 Q342 P346	S298-E344 WeakPolarHBondContact CB-OE1 3.23Å; S298-E344 WeakPolarHBondContact CB-OE2 3.38Å; S298-E344 VanDerWaalsContact OG-CD 3.32Å; S298-E344 PolarHBondContact OG-OE1 3.38Å; S298-E344 PolarHBondContact OG-OE2 2.88Å; Q342-E344 VanDerWaalsContact C-N 3.29Å; Q342-E344 HydrophobicContact CB-CG 4.06Å; Q342-E344 PolarHBondContact O-N 2.93Å; E344-P346 WeakPolarHBondContact O-CD 3.26Å
345	C	77	Confident	85	Confident	75 Å²	75	71.6 Å²	71.6	51%	0.507	37%	0.374	S	S	.	.			trans	-121.4	76	174	-70.2	0	0	0	0	109.4	F343 E347 K348	F343-C345 VanDerWaalsContact C-N 3.31Å; F343-C345 PolarHBondContact O-N 3.2Å; C345-E347 PolarHBondContact O-N 2.97Å; C345-K348 CarbonylContact O-C 3.57Å; C345-K348 VanDerWaalsContact O-C 3.28Å; C345-K348 PolarHBondContact O-N 2.83Å
346	P	71.8	Confident	84.8	Confident	103 Å²	103	72.7 Å²	72.7	67%	0.669	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.4	-175.8	25.8	-34.1	0	0	0	112.9	E344	E344-P346 WeakPolarHBondContact O-CD 3.26Å
347	E	78.7	Confident	84.7	Confident	185 Å²	185	73.1 Å²	73.1	86%	0.864	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.5	178.3	-62.2	-177.6	179.2	0	0	113.1	C345	C345-E347 PolarHBondContact O-N 2.97Å
348	K	77.8	Confident	84.6	Confident	179 Å²	179	73.1 Å²	73.1	78%	0.778	38%	0.382	S	S	*	.	S	Bend	trans	-142.3	71.9	-178	-69.3	-174.2	-177.8	176.9	0	110.2	C345	C345-K348 CarbonylContact O-C 3.57Å; C345-K348 VanDerWaalsContact O-C 3.28Å; C345-K348 PolarHBondContact O-N 2.83Å
349	P	78	Confident	84.5	Confident	60 Å²	60	74.5 Å²	74.5	39%	0.39	39%	0.388	S	S	.	.			trans	-67.3	146.9	175.5	28.4	-33.3	0	0	0	110.4	F353	P349-F353 HydrophobicContact CB-CE1 3.78Å; P349-F353 HydrophobicContact CB-CZ 3.97Å
350	P	80.6	Confident	84.4	Confident	48 Å²	48	75.1 Å²	75.1	31%	0.312	39%	0.392	S	S	.	.			trans	-61.5	139.1	172.7	25.9	-32.2	0	0	0	110.4	Y341 P352 F353 P354	Y341-P350 HydrophobicContact CD2-CG 4.18Å; Y341-P350 HydrophobicContact CE1-CG 4.28Å; Y341-P350 HydrophobicContact CE2-CG 3.95Å; Y341-P350 HydrophobicContact CG-CG 4.46Å; Y341-P350 WeakPolarHBondContact OH-CD 3.48Å; P350-P352 CarbonylContact C-O 3.52Å; P350-P352 CarbonylContact O-C 3.49Å; P350-F353 HydrophobicContact CG-CD1 4.26Å; P350-P354 HydrophobicContact CG-CG 4.24Å
351	N	81.2	Confident	84.3	Confident	158 Å²	158	75.9 Å²	75.9	85%	0.845	39%	0.394	S	S	*	.	S	Bend	trans	-131.8	115.6	176.9	-172.5	8.5	0	0	0	110
352	P	84.1	Confident	84.4	Confident	110 Å²	110	79.2 Å²	79.2	71%	0.714	41%	0.41	S	S	*	.	S	Bend	cis	-67.5	160.9	-0.9	30.1	-35.6	0	0	0	112.6	P350	P350-P352 CarbonylContact C-O 3.52Å; P350-P352 CarbonylContact O-C 3.49Å
353	F	82.9	Confident	84.7	Confident	109 Å²	109	76.5 Å²	76.5	48%	0.478	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-61.1	134.4	169	-74.7	-71.6	0	0	0	109.3	Y341 F343 P349 P350	Y341-F353 AromaticContact CD1-CD1 3.79Å; Y341-F353 HydrophobicContact CD1-CD1 3.79Å; Y341-F353 AromaticContact CD1-CE1 3.85Å; Y341-F353 HydrophobicContact CD1-CE1 3.85Å; Y341-F353 HydrophobicContact CE1-CD1 4.12Å; Y341-F353 AromaticContact CE1-CE1 3.77Å; Y341-F353 HydrophobicContact CE1-CE1 3.77Å; F343-F353 HydrophobicContact CD1-CE1 4.37Å; F343-F353 AromaticContact CE1-CE1 3.76Å; F343-F353 HydrophobicContact CE1-CE1 3.76Å; F343-F353 AromaticContact CE1-CZ 3.8Å; F343-F353 HydrophobicContact CE1-CZ 3.8Å; F343-F353 HydrophobicContact CZ-CE1 4.42Å; P349-F353 HydrophobicContact CB-CE1 3.78Å; P349-F353 HydrophobicContact CB-CZ 3.97Å; P350-F353 HydrophobicContact CG-CD1 4.26Å
354	P	85.7	Confident	84.9	Confident	37 Å²	37	73.9 Å²	73.9	24%	0.24	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-71.8	146.3	-179.7	28.8	-34.6	0	0	0	111.1	T321 P350	T321-P354 HydrophobicContact CG2-CB 3.18Å; T321-P354 HydrophobicContact CG2-CG 3.13Å; P350-P354 HydrophobicContact CG-CG 4.24Å
355	I	87.7	Confident	85.1	Confident	145 Å²	145	76.1 Å²	76.1	74%	0.744	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-73.2	135.5	-170.2	-56.7	168.7	0	0	0	110.5	S357	I355-S357 PolarHBondContact O-N 2.81Å; I355-S357 PolarHBondContact O-OG 3.29Å
356	D	91.4	Very high	85.3	Confident	24 Å²	24	76.7 Å²	76.7	13%	0.128	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-63.3	129	172.7	-63.9	-51.7	0	0	0	110.8	A19 D22 G23 S340	A19-D356 VanDerWaalsContact CB-O 3.28Å; A19-D356 WeakPolarHBondContact CB-O 3.49Å; D22-D356 WeakPolarHBondContact CA-OD2 3.34Å; G23-D356 PolarHBondContact N-OD2 3.24Å; S340-D356 VanDerWaalsContact CA-OD1 3.28Å; S340-D356 WeakPolarHBondContact CA-OD1 3.48Å; S340-D356 WeakPolarHBondContact CB-OD1 3.18Å; S340-D356 VanDerWaalsContact OG-CG 3.32Å; S340-D356 PolarHBondContact OG-OD1 2.88Å
357	S	92.2	Very high	85.8	Confident	8 Å²	8	73.8 Å²	73.8	6%	0.056	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.1	-171.1	43.3	0	0	0	0	111.1	C339 I355 Y359	C339-S357 PolarHBondContact N-O 2.84Å; C339-S357 PolarHBondContact O-N 3.21Å; I355-S357 PolarHBondContact O-N 2.81Å; I355-S357 PolarHBondContact O-OG 3.29Å; S357-Y359 WeakPolarHBondContact OG-CE2 3.17Å
358	I	93.2	Very high	86	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.7	173	-49.4	173.6	0	0	0	107.3	L16 P20 V24 V27 L37 A39 Y49 I337 A338	L16-I358 HydrophobicContact CB-CB 4.14Å; L16-I358 VanDerWaalsContact CB-O 3.29Å; L16-I358 WeakPolarHBondContact CB-O 3.34Å; L16-I358 HydrophobicContact CD1-CB 3.56Å; L16-I358 HydrophobicContact CD1-CG2 3.37Å; L16-I358 HydrophobicContact CG-CB 4.46Å; L16-I358 PolarHBondContact N-O 3.41Å; P20-I358 HydrophobicContact CG-CD1 4.33Å; V24-I358 HydrophobicContact CG1-CD1 4.28Å; V24-I358 HydrophobicContact CG2-CD1 4.22Å; V24-I358 HydrophobicContact CG2-CG1 4.03Å; V27-I358 HydrophobicContact CG1-CD1 4.15Å; V27-I358 HydrophobicContact CG1-CG2 4.16Å; L37-I358 HydrophobicContact CD2-CG2 4.26Å; A39-I358 HydrophobicContact CB-CD1 3.72Å; Y49-I358 HydrophobicContact CE2-CD1 4.45Å; I337-I358 CarbonylContact O-C 3.57Å; I337-I358 WeakPolarHBondContact O-CA 3.42Å; A338-I358 HydrophobicContact CB-CG1 4.36Å
359	Y	92.7	Very high	85.9	Confident	30 Å²	30	58.1 Å²	58.1	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.8	178	-62.2	-91.6	0	0	0	109.4	E13 L15 Y319 P320 A336 I337 C339 S357	E13-Y359 HydrophobicContact CG-CD1 4.27Å; E13-Y359 WeakPolarHBondContact OE1-CD1 3.49Å; L15-Y359 HydrophobicContact CB-CD1 4.26Å; L15-Y359 HydrophobicContact CB-CE1 4.15Å; L15-Y359 HydrophobicContact CD1-CD1 4.08Å; L15-Y359 HydrophobicContact CD1-CE1 3.74Å; L15-Y359 HydrophobicContact CD1-CE2 4.3Å; L15-Y359 HydrophobicContact CG-CE1 4.46Å; Y319-Y359 AromaticContact CD1-CD2 3.73Å; Y319-Y359 HydrophobicContact CD1-CD2 3.73Å; Y319-Y359 AromaticContact CD1-CE2 3.86Å; Y319-Y359 HydrophobicContact CD1-CE2 3.86Å; Y319-Y359 HydrophobicContact CD1-CG 4.18Å; Y319-Y359 HydrophobicContact CE1-CD1 4.44Å; Y319-Y359 AromaticContact CE1-CD2 3.92Å; Y319-Y359 HydrophobicContact CE1-CD2 3.92Å; Y319-Y359 HydrophobicContact CE1-CE2 4.43Å; Y319-Y359 AromaticContact CE1-CG 3.93Å; Y319-Y359 HydrophobicContact CE1-CG 3.93Å; P320-Y359 WeakPolarHBondContact CG-OH 3.4Å; A336-Y359 CarbonylContact C-O 3.58Å; A336-Y359 WeakPolarHBondContact CA-O 3.22Å; I337-Y359 PolarHBondContact N-O 3.13Å; I337-Y359 PolarHBondContact O-N 2.85Å; C339-Y359 HydrophobicContact CB-CE2 4.35Å; S357-Y359 WeakPolarHBondContact OG-CE2 3.17Å
360	V	92.2	Very high	84.9	Confident	13 Å²	13	56.6 Å²	56.6	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.4	169.5	-178.7	0	0	0	0	107.7	E13 H14 L16 F29 L37 L51 Y334	E13-V360 WeakPolarHBondContact CA-O 3.23Å; H14-V360 PolarHBondContact N-O 2.61Å; H14-V360 PolarHBondContact O-N 3.19Å; L16-V360 HydrophobicContact CD1-CG2 3.65Å; L16-V360 HydrophobicContact CG-CG2 4.15Å; F29-V360 HydrophobicContact CZ-CG1 4.45Å; L37-V360 HydrophobicContact CD2-CG2 4.29Å; L51-V360 HydrophobicContact CD1-CG1 4.37Å; L51-V360 HydrophobicContact CD1-CG2 4.29Å; L51-V360 HydrophobicContact CD2-CG2 4.36Å; Y334-V360 HydrophobicContact CD1-CG1 3.86Å; Y334-V360 HydrophobicContact CG-CG1 4.36Å
361	R	91.8	Very high	83.3	Confident	15 Å²	15	60.4 Å²	60.4	6%	0.057	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	-179.6	-176.3	-179.7	177.5	76.7	7	109.7	N12 E13 Y334 L335 V363 E367	N12-R361 PolarHBondContact ND2-NH2 2.86Å; N12-R361 VanDerWaalsContact ND2-NH2 3.19Å; N12-R361 PolarHBondContact OD1-NH1 2.75Å; N12-R361 VanDerWaalsContact OD1-NH1 3.16Å; N12-R361 PolarHBondContact OD1-NH2 3.46Å; E13-R361 HydrophobicContact CB-CB 4.34Å; E13-R361 HydrophobicContact CB-CG 4.33Å; E13-R361 HydrophobicContact CG-CB 4.1Å; E13-R361 IonicContact OE2-NH1 2.96Å; Y334-R361 CarbonylContact C-O 3.58Å; Y334-R361 WeakPolarHBondContact CA-O 3.42Å; L335-R361 PolarHBondContact N-O 2.82Å; L335-R361 PolarHBondContact O-N 3.23Å; R361-V363 PolarHBondContact O-N 2.91Å; R361-E367 IonicContact NE-OE2 3.62Å; R361-E367 IonicContact NH2-OE1 3.41Å; R361-E367 PolarHBondContact NH2-OE1 3.23Å; R361-E367 IonicContact NH2-OE2 3.85Å; R361-E367 PolarHBondContact NH2-OE2 3.25Å
362	K	90.8	Very high	81.1	Confident	111 Å²	111	56.9 Å²	56.9	48%	0.483	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	116	166.6	-174.1	174.6	-176.9	172.1	0	108.9	N12 T333 Y334	N12-K362 HydrophobicContact CB-CB 4.35Å; N12-K362 PolarHBondContact ND2-O 3.3Å; N12-K362 PolarHBondContact O-N 2.87Å; T333-K362 WeakPolarHBondContact O-CA 3.4Å; Y334-K362 HydrophobicContact CD1-CB 3.98Å; Y334-K362 HydrophobicContact CD1-CG 4.42Å; Y334-K362 HydrophobicContact CE1-CB 3.75Å; Y334-K362 HydrophobicContact CE1-CD 4.35Å; Y334-K362 HydrophobicContact CE1-CG 4.04Å
363	V	89.2	Confident	78.5	Confident	10 Å²	10	58.2 Å²	58.2	6%	0.061	33%	0.326	C	S	.	.			trans	-91.6	140.2	-173.7	-167	0	0	0	0	110.1	F328 T333 L335 R361 E367 T368	F328-V363 HydrophobicContact CE1-CG2 4.15Å; T333-V363 PolarHBondContact O-N 3.45Å; L335-V363 HydrophobicContact CB-CG2 3.58Å; R361-V363 PolarHBondContact O-N 2.91Å; V363-E367 HydrophobicContact CG1-CB 4.29Å; V363-T368 HydrophobicContact CB-CG2 4.43Å; V363-T368 HydrophobicContact CG1-CG2 3.26Å
364	V	86	Confident	75.8	Confident	75 Å²	75	59 Å²	59	46%	0.455	33%	0.334	S	S	.	.			trans	-98.7	138.8	178.8	-170.7	0	0	0	0	108.9	S366 E367 T368	V364-S366 PolarHBondContact O-N 2.78Å; V364-E367 HydrophobicContact CB-CG 4.4Å; V364-E367 WeakPolarHBondContact O-CB 3.31Å; V364-E367 PolarHBondContact O-N 3.25Å; V364-T368 PolarHBondContact O-OG1 3.11Å
365	D	82	Confident	73	Confident	103 Å²	103	65.1 Å²	65.1	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-50.9	-31.1	179.8	-66.3	9.1	0	0	0	113.7	E367 T368 S369	D365-E367 VanDerWaalsContact C-N 3.26Å; D365-E367 PolarHBondContact O-N 3.17Å; D365-T368 PolarHBondContact O-N 3Å; D365-S369 WeakPolarHBondContact O-CA 3.43Å; D365-S369 WeakPolarHBondContact O-CB 3.5Å; D365-S369 PolarHBondContact O-N 2.94Å
366	S	80.8	Confident	70	Confident	88 Å²	88	63.6 Å²	63.6	62%	0.615	35%	0.345	S	S	*	.	H	α-helix	trans	-66.8	-25.3	176.6	56.4	0	0	0	0	113.9	V364	V364-S366 PolarHBondContact O-N 2.78Å
367	E	83.7	Confident	66.8	Low	41 Å²	41	65.9 Å²	65.9	19%	0.192	36%	0.355	C	S	.	.	H	α-helix	trans	-82.7	-27.9	178.2	-61.2	-178.1	156.9	0	0	111.9	S314 R361 V363 V364 D365	S314-E367 PolarHBondContact OG-O 3.49Å; R361-E367 IonicContact NE-OE2 3.62Å; R361-E367 IonicContact NH2-OE1 3.41Å; R361-E367 PolarHBondContact NH2-OE1 3.23Å; R361-E367 IonicContact NH2-OE2 3.85Å; R361-E367 PolarHBondContact NH2-OE2 3.25Å; V363-E367 HydrophobicContact CG1-CB 4.29Å; V364-E367 HydrophobicContact CB-CG 4.4Å; V364-E367 WeakPolarHBondContact O-CB 3.31Å; V364-E367 PolarHBondContact O-N 3.25Å; D365-E367 VanDerWaalsContact C-N 3.26Å; D365-E367 PolarHBondContact O-N 3.17Å
368	T	81.5	Confident	63.8	Low	1 Å²	1	69.2 Å²	69.2	1%	0.006	38%	0.375	C	S	.	.	H	α-helix	trans	-112.2	-18	-171.3	47.7	0	0	0	0	115.1	H290 T292 I304 F328 V363 V364 D365	H290-T368 PolarHBondContact CD2-OG1 3.48Å; T292-T368 WeakPolarHBondContact CB-O 3.5Å; T292-T368 WeakPolarHBondContact CG2-O 3.38Å; T292-T368 PolarHBondContact OG1-O 2.8Å; I304-T368 HydrophobicContact CG2-CG2 4.39Å; F328-T368 HydrophobicContact CE1-CG2 4.32Å; F328-T368 HydrophobicContact CZ-CG2 4.42Å; V363-T368 HydrophobicContact CB-CG2 4.43Å; V363-T368 HydrophobicContact CG1-CG2 3.26Å; V364-T368 PolarHBondContact O-OG1 3.11Å; D365-T368 PolarHBondContact O-N 3Å
369	S	77.1	Confident	60.6	Low	34 Å²	34	80.2 Å²	80.2	24%	0.238	42%	0.416	C	S	.	.	S	Bend	trans	-106.9	124.4	178.3	-177.9	0	0	0	0	111	D365 N371	D365-S369 WeakPolarHBondContact O-CA 3.43Å; D365-S369 WeakPolarHBondContact O-CB 3.5Å; D365-S369 PolarHBondContact O-N 2.94Å; S369-N371 PolarHBondContact O-N 3.37Å
370	A	56.9	Low	57.6	Low	28 Å²	28	81 Å²	81	23%	0.231	42%	0.422	C	S	.	.	S	Bend	trans	-68.9	102.5	170.3	0	0	0	0	0	109.6	D306 L313	D306-A370 HydrophobicContact CB-CB 4.31Å; D306-A370 WeakPolarHBondContact OD2-CB 3.46Å; L313-A370 HydrophobicContact CD1-CB 4.3Å; L313-A370 HydrophobicContact CD2-CB 3.74Å
371	N	46.5	Very low	54.8	Low	128 Å²	128	83.8 Å²	83.8	68%	0.684	44%	0.436	S	S	*	.			trans	62.6	94.8	-178	-65.2	-34.3	0	0	0	114.7	S369 L373	S369-N371 PolarHBondContact O-N 3.37Å; N371-L373 PolarHBondContact O-N 3.48Å
372	A	35	Very low	51.9	Low	84 Å²	84	90.4 Å²	90.4	69%	0.694	46%	0.461	S	S	*	.	S	Bend	trans	-63.3	4.6	157.1	0	0	0	0	0	113.6
373	L	29.5	Very low	49.2	Very low	139 Å²	139	85.8 Å²	85.8	73%	0.728	44%	0.442	S	S	*	.	S	Bend	trans	-115.9	118.8	176.9	-71.5	164.7	0	0	0	108.8	N371	N371-L373 PolarHBondContact O-N 3.48Å
374	L	26.1	Very low	46.5	Very low	124 Å²	124	89.3 Å²	89.3	65%	0.649	46%	0.463	S	S	*	.			trans	78.5	65.6	170.4	-58.6	155.5	0	0	0	117.2
375	R	27.5	Very low	44	Very low	166 Å²	166	91.2 Å²	91.2	63%	0.626	47%	0.466	S	S	*	.			trans	-131.5	80.3	133	-77.7	-168.5	-176.2	179.4	3.4	109.6	Q377 E487	R375-Q377 PolarHBondContact O-N 3.34Å; R375-E487 IonicContact NH1-OE1 3.09Å; R375-E487 PolarHBondContact NH1-OE1 3.25Å
376	L	23.3	Very low	41.5	Very low	113 Å²	113	90.7 Å²	90.7	59%	0.592	47%	0.471	S	S	*	.			trans	-70.7	63	141.9	-86.4	166.3	0	0	0	108	Q459	L376-Q459 HydrophobicContact CD1-CB 3.78Å; L376-Q459 HydrophobicContact CD1-CG 3.63Å; L376-Q459 HydrophobicContact CG-CG 4.11Å
377	Q	25.4	Very low	38.9	Very low	73 Å²	73	92 Å²	92	34%	0.341	47%	0.467	S	S	.	.	S	Bend	trans	-102.7	122.2	148.1	-84.8	-169.5	-31	0	0	104.3	R375 R379	R375-Q377 PolarHBondContact O-N 3.34Å; Q377-R379 PolarHBondContact O-N 2.89Å
378	V	28.6	Very low	36.2	Very low	77 Å²	77	94.5 Å²	94.5	47%	0.467	48%	0.482	S	S	.	.			trans	-13.5	100.3	172.8	-178.8	0	0	0	0	110.5	L380 F424	V378-L380 HydrophobicContact CG1-CD1 3.92Å; V378-L380 PolarHBondContact O-N 2.88Å; V378-F424 HydrophobicContact CG1-CB 4.42Å
379	R	25.3	Very low	33.6	Very low	231 Å²	231	102.5 Å²	102.5	87%	0.872	52%	0.516	S	S	*	.			trans	-69.7	88.9	173.8	-144.4	-179.9	-169	-174.4	3.7	105.7	Q377 I381	Q377-R379 PolarHBondContact O-N 2.89Å; R379-I381 PolarHBondContact O-N 3.41Å
380	L	30.6	Very low	31.4	Very low	47 Å²	47	109 Å²	109	25%	0.246	54%	0.541	C	S	.	.			trans	-72.4	103.5	-178.6	-150.8	94.7	0	0	0	106	V378 R382 Y422 F484	V378-L380 HydrophobicContact CG1-CD1 3.92Å; V378-L380 PolarHBondContact O-N 2.88Å; L380-R382 PolarHBondContact O-N 2.91Å; L380-Y422 HydrophobicContact CD2-CD1 3.12Å; L380-Y422 HydrophobicContact CD2-CE1 3.55Å; L380-Y422 HydrophobicContact CD2-CG 3.97Å; L380-Y422 HydrophobicContact CG-CD1 3.87Å; L380-F484 HydrophobicContact CD1-CB 4.02Å; L380-F484 HydrophobicContact CD1-CD1 3.87Å; L380-F484 HydrophobicContact CD1-CG 3.98Å; L380-F484 HydrophobicContact CD2-CB 3.83Å
381	I	32.6	Very low	30.9	Very low	72 Å²	72	112.5 Å²	112.5	37%	0.369	57%	0.57	S	S	.	*			trans	-73.6	100.1	173.7	-58.7	176.2	0	0	0	106.1	R379 L383 L452	R379-I381 PolarHBondContact O-N 3.41Å; I381-L383 PolarHBondContact O-N 3.23Å; I381-L452 HydrophobicContact CB-CD1 4.44Å; I381-L452 HydrophobicContact CB-CD2 4.47Å; I381-L452 HydrophobicContact CD1-CB 4.36Å; I381-L452 HydrophobicContact CD1-CD1 4.31Å; I381-L452 HydrophobicContact CD1-CD2 3.85Å; I381-L452 HydrophobicContact CD1-CG 4.41Å; I381-L452 HydrophobicContact CG2-CD1 4.43Å; I381-L452 HydrophobicContact CG2-CD2 3.79Å
382	R	31.4	Very low	31.1	Very low	153 Å²	153	108.1 Å²	108.1	58%	0.577	55%	0.548	S	S	*	.			trans	-62.3	106.6	170.3	-165.6	-179.9	-172.7	-176.3	1.3	107.3	L380 V384 D420	L380-R382 PolarHBondContact O-N 2.91Å; R382-V384 HydrophobicContact CB-CG2 4.42Å; R382-V384 HydrophobicContact CG-CG2 3.88Å; R382-V384 PolarHBondContact O-N 3.23Å; R382-D420 IonicContact CZ-OD2 2.75Å; R382-D420 IonicContact NE-OD1 3.64Å; R382-D420 IonicContact NE-OD2 3.37Å; R382-D420 PolarHBondContact NE-OD2 2.84Å; R382-D420 IonicContact NH2-OD2 3.63Å; R382-D420 PolarHBondContact NH2-OD2 2.91Å
383	L	34.5	Very low	32.8	Very low	15 Å²	15	107.6 Å²	107.6	8%	0.079	54%	0.537	C	S	.	.			trans	-79.1	79	171.6	-71.9	169.9	0	0	0	107.8	I381 H385 V437 K450 L452	I381-L383 PolarHBondContact O-N 3.23Å; L383-H385 PolarHBondContact O-N 2.95Å; L383-H385 VanDerWaalsContact O-N 3.12Å; L383-V437 HydrophobicContact CD1-CB 3.88Å; L383-V437 HydrophobicContact CD1-CG1 3.59Å; L383-V437 HydrophobicContact CD1-CG2 4.02Å; L383-K450 HydrophobicContact CD2-CB 3.96Å; L383-K450 HydrophobicContact CD2-CD 3.44Å; L383-K450 VanDerWaalsContact CD2-CD 3.44Å; L383-K450 HydrophobicContact CD2-CG 3.52Å; L383-L452 HydrophobicContact CD1-CD1 4.34Å; L383-L452 HydrophobicContact CD2-CD1 4.31Å; L383-L452 HydrophobicContact CD2-CD2 4.29Å
384	V	31.4	Very low	35	Very low	83 Å²	83	102.7 Å²	102.7	50%	0.503	51%	0.511	S	S	.	.			trans	-62	113.9	172.2	-178.5	0	0	0	0	107.6	R382	R382-V384 HydrophobicContact CB-CG2 4.42Å; R382-V384 HydrophobicContact CG-CG2 3.88Å; R382-V384 PolarHBondContact O-N 3.23Å
385	H	34.1	Very low	37.8	Very low	115 Å²	115	103.7 Å²	103.7	53%	0.532	51%	0.506	S	S	.	.			trans	-91.1	110.5	152.2	-116.1	25.1	0	0	0	106.5	L383 S448	L383-H385 PolarHBondContact O-N 2.95Å; L383-H385 VanDerWaalsContact O-N 3.12Å; H385-S448 PolarHBondContact CE1-OG 2.78Å; H385-S448 VanDerWaalsContact CE1-OG 3.25Å; H385-S448 WeakPolarHBondContact NE2-CB 3.14Å; H385-S448 PolarHBondContact NE2-OG 2.77Å
386	S	29.7	Very low	40.6	Very low	92 Å²	92	97 Å²	97	64%	0.643	48%	0.481	S	S	*	.			trans	-61.7	133.8	179.2	51.5	0	0	0	0	111.1
387	E	27.2	Very low	43.6	Very low	116 Å²	116	95 Å²	95	54%	0.542	47%	0.474	S	S	.	.			trans	71.2	114.1	144.6	-64	-169.8	-167.9	0	0	119.5
388	L	25.9	Very low	46.5	Very low	94 Å²	94	92.3 Å²	92.3	49%	0.492	46%	0.464	S	S	.	.			trans	67.7	116.7	136.5	-79.5	144.7	0	0	0	119.1	M78	M78-L388 HydrophobicContact CE-CD1 3.3Å; M78-L388 HydrophobicContact SD-CD1 3.44Å; M78-L388 WeakPolarHBondContact SD-CD1 3.44Å
389	F	27.4	Very low	49.4	Very low	168 Å²	168	89.7 Å²	89.7	74%	0.737	45%	0.449	S	S	*	.			trans	82.2	124.7	156.7	-74.3	-79.7	0	0	0	119.8
390	F	30.8	Very low	52.3	Low	171 Å²	171	80.2 Å²	80.2	75%	0.75	42%	0.416	S	S	*	.			trans	95.2	125.4	162.7	-59.2	-72.6	0	0	0	119	V392	F390-V392 HydrophobicContact CB-CG2 4.37Å; F390-V392 PolarHBondContact O-N 2.74Å
391	A	45.5	Very low	54.6	Low	102 Å²	102	80.7 Å²	80.7	84%	0.843	42%	0.418	S	S	*	.			trans	-61.8	57.8	178.4	0	0	0	0	0	113.9
392	V	52.3	Low	56.8	Low	36 Å²	36	81 Å²	81	22%	0.218	44%	0.439	C	S	.	.			trans	-114.6	119.3	-178.6	-174.6	0	0	0	0	110.3	F390 I394 H419 N441 R442 A443	F390-V392 HydrophobicContact CB-CG2 4.37Å; F390-V392 PolarHBondContact O-N 2.74Å; V392-I394 PolarHBondContact O-N 2.84Å; V392-I394 VanDerWaalsContact O-N 3.12Å; V392-H419 PolarHBondContact O-NE2 2.85Å; V392-N441 WeakPolarHBondContact CG1-OD1 3.35Å; V392-R442 HydrophobicContact CG1-CB 4.44Å; V392-A443 HydrophobicContact CB-CB 4.26Å; V392-A443 HydrophobicContact CG1-CB 3.4Å; V392-A443 VanDerWaalsContact CG1-CB 3.4Å; V392-A443 HydrophobicContact CG2-CB 3.88Å
393	P	70.1	Confident	59.2	Low	73 Å²	73	81.4 Å²	81.4	47%	0.474	44%	0.442	S	S	.	.			trans	-68.3	112.9	-176.7	25.4	-32.2	0	0	0	111.5	R442	P393-R442 WeakPolarHBondContact O-CB 3.5Å; P393-R442 WeakPolarHBondContact O-CD 2.93Å; P393-R442 VanDerWaalsContact O-CG 3.26Å; P393-R442 WeakPolarHBondContact O-CG 3.31Å
394	I	75.3	Confident	61.4	Low	36 Å²	36	86.2 Å²	86.2	19%	0.185	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.7	170.6	-55.5	177.7	0	0	0	108.8	V392 Y396 H419	V392-I394 PolarHBondContact O-N 2.84Å; V392-I394 VanDerWaalsContact O-N 3.12Å; I394-Y396 HydrophobicContact CB-CE2 3.97Å; I394-Y396 HydrophobicContact CG2-CD2 4.21Å; I394-Y396 HydrophobicContact CG2-CE1 4.22Å; I394-Y396 HydrophobicContact CG2-CE2 3.61Å; I394-H419 HydrophobicContact CD1-CB 4.17Å
395	R	85.5	Confident	63.7	Low	144 Å²	144	88.2 Å²	88.2	54%	0.543	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.1	174.3	-172	178.9	-172.6	172.2	3.2	109.4	L440	R395-L440 PolarHBondContact N-O 2.9Å; R395-L440 PolarHBondContact O-N 2.78Å
396	Y	85.4	Confident	66.1	Low	27 Å²	27	84.3 Å²	84.3	11%	0.106	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.7	174.8	-66.2	-85.8	0	0	0	111.2	I394 H419 A421 V437 I438	I394-Y396 HydrophobicContact CB-CE2 3.97Å; I394-Y396 HydrophobicContact CG2-CD2 4.21Å; I394-Y396 HydrophobicContact CG2-CE1 4.22Å; I394-Y396 HydrophobicContact CG2-CE2 3.61Å; Y396-H419 WeakPolarHBondContact CE2-O 3.29Å; Y396-H419 PolarHBondContact OH-O 2.85Å; Y396-A421 HydrophobicContact CD1-CB 3.62Å; Y396-A421 HydrophobicContact CD2-CB 3.74Å; Y396-A421 HydrophobicContact CE1-CB 3.84Å; Y396-A421 HydrophobicContact CE2-CB 3.96Å; Y396-A421 HydrophobicContact CG-CB 3.56Å; Y396-V437 HydrophobicContact CD1-CG1 4.22Å; Y396-I438 WeakPolarHBondContact CA-O 3.34Å
397	T	87.5	Confident	68.4	Low	71 Å²	71	81.1 Å²	81.1	44%	0.436	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.7	167.5	53.4	0	0	0	0	108.5	I438	T397-I438 PolarHBondContact N-O 3.03Å; T397-I438 PolarHBondContact O-N 3.01Å
398	A	86.5	Confident	70.7	Confident	16 Å²	16	79.9 Å²	79.9	13%	0.132	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.2	178.3	0	0	0	0	0	110.5	L406 I412 L423 V435 L436 V437	A398-L406 HydrophobicContact CB-CD1 3.59Å; A398-L406 HydrophobicContact CB-CG 4.17Å; A398-L406 WeakPolarHBondContact O-CG 3.42Å; A398-I412 HydrophobicContact CB-CB 4.45Å; A398-I412 HydrophobicContact CB-CD1 3.76Å; A398-I412 HydrophobicContact CB-CG2 4.4Å; A398-L423 HydrophobicContact CB-CD1 4.04Å; A398-V435 HydrophobicContact CB-CG1 4.32Å; A398-L436 CarbonylContact C-O 3.57Å; A398-L436 VanDerWaalsContact CA-O 3.23Å; A398-L436 WeakPolarHBondContact CA-O 2.97Å; A398-V437 HydrophobicContact CB-CG2 4.08Å
399	S	89.3	Confident	72.9	Confident	22 Å²	22	77.2 Å²	77.2	15%	0.154	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162	178.1	72.3	0	0	0	0	109.9	Y403 V435 L436	S399-Y403 WeakPolarHBondContact CB-O 3.46Å; S399-Y403 PolarHBondContact OG-O 2.95Å; S399-V435 CarbonylContact O-C 3.54Å; S399-V435 WeakPolarHBondContact O-CA 3.49Å; S399-L436 PolarHBondContact N-O 2.76Å; S399-L436 PolarHBondContact O-N 3.25Å
400	L	86.1	Confident	75.4	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.168	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	144	165.8	-90.6	162	0	0	0	109.2	G402 Y403 P407 I433 D434	L400-G402 PolarHBondContact O-N 3.04Å; L400-G402 VanDerWaalsContact O-N 3.12Å; L400-Y403 HydrophobicContact CB-CD2 3.89Å; L400-Y403 HydrophobicContact CB-CG 4.15Å; L400-Y403 PolarHBondContact O-N 3.2Å; L400-P407 HydrophobicContact CD1-CG 3.62Å; L400-P407 HydrophobicContact CG-CG 4.25Å; L400-I433 HydrophobicContact CD2-CB 3.88Å; L400-I433 HydrophobicContact CD2-CG2 3.45Å; L400-I433 VanDerWaalsContact CD2-CG2 3.45Å; L400-D434 WeakPolarHBondContact CA-O 3.36Å; L400-D434 WeakPolarHBondContact CD2-O 3.49Å
401	D	78.7	Confident	77.6	Confident	57 Å²	57	64.8 Å²	64.8	31%	0.305	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	119.1	179.1	-151.8	6.4	0	0	0	109.2	D434 R451	D401-D434 HydrophobicContact CB-CB 4.03Å; D401-D434 PolarHBondContact N-O 2.92Å; D401-R451 IonicContact OD1-NE 3.98Å; D401-R451 IonicContact OD1-NH2 3.01Å; D401-R451 IonicContact OD2-CZ 3.07Å; D401-R451 IonicContact OD2-NE 3.35Å; D401-R451 PolarHBondContact OD2-NE 2.82Å; D401-R451 IonicContact OD2-NH2 3.6Å; D401-R451 PolarHBondContact OD2-NH2 2.82Å
402	G	77.3	Confident	79.4	Confident	78 Å²	78	62 Å²	62	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	2	-173	0	0	0	0	0	116.6	L400	L400-G402 PolarHBondContact O-N 3.04Å; L400-G402 VanDerWaalsContact O-N 3.12Å
403	Y	82.4	Confident	80.6	Confident	162 Å²	162	61.6 Å²	61.6	64%	0.635	35%	0.346	S	S	*	.	S	Bend	trans	-123.5	153.6	178	-68.1	-92.7	0	0	0	111.4	S399 L400	S399-Y403 WeakPolarHBondContact CB-O 3.46Å; S399-Y403 PolarHBondContact OG-O 2.95Å; L400-Y403 HydrophobicContact CB-CD2 3.89Å; L400-Y403 HydrophobicContact CB-CG 4.15Å; L400-Y403 PolarHBondContact O-N 3.2Å
404	P	81.9	Confident	81.1	Confident	115 Å²	115	60.1 Å²	60.1	75%	0.747	34%	0.338	S	S	*	.	S	Bend	trans	-75.1	-29.4	-175.4	27.4	-33.8	0	0	0	113.8
405	D	79.7	Confident	81.4	Confident	125 Å²	125	58.5 Å²	58.5	67%	0.668	33%	0.33	S	S	*	.	S	Bend	trans	-132.6	161.3	-171.5	-79.9	-36.9	0	0	0	112.4
406	L	83	Confident	80.8	Confident	33 Å²	33	55.4 Å²	55.4	17%	0.173	33%	0.328	C	S	.	.			trans	-72.8	153.7	169.3	-84.9	164.6	0	0	0	111.7	A398 I410 V435	A398-L406 HydrophobicContact CB-CD1 3.59Å; A398-L406 HydrophobicContact CB-CG 4.17Å; A398-L406 WeakPolarHBondContact O-CG 3.42Å; L406-I410 HydrophobicContact CB-CB 4.5Å; L406-I410 HydrophobicContact CD1-CG2 3.96Å; L406-I410 HydrophobicContact CD2-CB 4.08Å; L406-I410 HydrophobicContact CD2-CD1 4.29Å; L406-I410 HydrophobicContact CD2-CG2 3.71Å; L406-I410 HydrophobicContact CG-CG2 4.33Å; L406-V435 HydrophobicContact CD2-CG1 4Å; L406-V435 HydrophobicContact CD2-CG2 4.36Å
407	P	79	Confident	80.1	Confident	25 Å²	25	62.5 Å²	62.5	16%	0.162	36%	0.36	C	S	.	.			trans	-56.6	146.9	168.7	-20.5	31	0	0	0	111.6	L400 W409 I410	L400-P407 HydrophobicContact CD1-CG 3.62Å; L400-P407 HydrophobicContact CG-CG 4.25Å; P407-W409 HydrophobicContact CB-CG 4.3Å; P407-W409 PolarHBondContact O-N 3.12Å; P407-I410 HydrophobicContact CG-CD1 4.22Å; P407-I410 PolarHBondContact O-N 3.01Å
408	S	75.4	Confident	79.5	Confident	91 Å²	91	62.7 Å²	62.7	64%	0.636	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-11.5	-179.1	66.9	0	0	0	0	116.5	R512	S408-R512 PolarHBondContact O-NH2 3.19Å
409	W	72.7	Confident	78.9	Confident	38 Å²	38	64.2 Å²	64.2	14%	0.144	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-11.9	-178.6	65.8	-95.8	0	0	0	113.5	P407 G425 N426 P427 I433 V456	P407-W409 HydrophobicContact CB-CG 4.3Å; P407-W409 PolarHBondContact O-N 3.12Å; W409-G425 CarbonylContact O-C 3.46Å; W409-G425 WeakPolarHBondContact O-CA 3.35Å; W409-N426 WeakPolarHBondContact CB-O 3.27Å; W409-N426 PolarHBondContact O-N 2.99Å; W409-P427 VanDerWaalsContact CE3-CA 3.45Å; W409-P427 HydrophobicContact CE3-CB 4.22Å; W409-P427 HydrophobicContact CH2-CB 3.62Å; W409-P427 HydrophobicContact CZ2-CB 4.04Å; W409-P427 VanDerWaalsContact CZ3-CA 3.49Å; W409-P427 HydrophobicContact CZ3-CB 3.72Å; W409-P427 HydrophobicContact CZ3-CG 4.31Å; W409-I433 HydrophobicContact CH2-CD1 3.67Å; W409-I433 HydrophobicContact CZ2-CD1 3.39Å; W409-V456 HydrophobicContact CH2-CG2 4.17Å
410	I	78.6	Confident	78.3	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.046	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	173.9	-59.8	179.6	0	0	0	108.9	L406 P407 L423 F424 I433	L406-I410 HydrophobicContact CB-CB 4.5Å; L406-I410 HydrophobicContact CD1-CG2 3.96Å; L406-I410 HydrophobicContact CD2-CB 4.08Å; L406-I410 HydrophobicContact CD2-CD1 4.29Å; L406-I410 HydrophobicContact CD2-CG2 3.71Å; L406-I410 HydrophobicContact CG-CG2 4.33Å; P407-I410 HydrophobicContact CG-CD1 4.22Å; P407-I410 PolarHBondContact O-N 3.01Å; I410-L423 HydrophobicContact CG2-CD2 3.5Å; I410-L423 HydrophobicContact CG2-CG 3.81Å; I410-F424 WeakPolarHBondContact CA-O 3.48Å; I410-I433 HydrophobicContact CD1-CD1 4.03Å
411	D	77.9	Confident	78	Confident	69 Å²	69	62.2 Å²	62.2	37%	0.369	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.8	168.8	-94.6	-49.8	0	0	0	109.9	F424	D411-F424 HydrophobicContact CB-CD1 4.48Å; D411-F424 HydrophobicContact CB-CD2 4.46Å; D411-F424 HydrophobicContact CB-CE1 3.85Å; D411-F424 HydrophobicContact CB-CE2 3.84Å; D411-F424 HydrophobicContact CB-CZ 3.5Å; D411-F424 VanDerWaalsContact CB-CZ 3.5Å; D411-F424 PolarHBondContact N-O 2.91Å; D411-F424 PolarHBondContact O-N 3.48Å
412	I	82.3	Confident	78	Confident	44 Å²	44	59.9 Å²	59.9	23%	0.226	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.5	172.1	-170.5	169	0	0	0	109.6	A398 A421 Y422 L423 V437	A398-I412 HydrophobicContact CB-CB 4.45Å; A398-I412 HydrophobicContact CB-CD1 3.76Å; A398-I412 HydrophobicContact CB-CG2 4.4Å; I412-A421 HydrophobicContact CD1-CB 4.38Å; I412-Y422 WeakPolarHBondContact CA-O 3.48Å; I412-L423 HydrophobicContact CB-CD1 4.36Å; I412-L423 HydrophobicContact CD1-CD1 4.03Å; I412-L423 HydrophobicContact CG1-CD1 4.26Å; I412-V437 HydrophobicContact CD1-CG1 4.06Å
413	T	78.9	Confident	78.2	Confident	26 Å²	26	57.5 Å²	57.5	16%	0.16	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.2	171	-171.7	0	0	0	0	109.5	A421 Y422 F424 A480 W481 F484	T413-A421 CarbonylContact O-C 3.44Å; T413-A421 WeakPolarHBondContact O-CA 3.28Å; T413-Y422 HydrophobicContact CG2-CD2 4.27Å; T413-Y422 PolarHBondContact N-O 2.76Å; T413-Y422 PolarHBondContact O-N 3.01Å; T413-F424 HydrophobicContact CG2-CD1 3.98Å; T413-F424 HydrophobicContact CG2-CE1 3.56Å; T413-A480 HydrophobicContact CG2-CB 4.49Å; T413-W481 HydrophobicContact CG2-CB 3.85Å; T413-F484 HydrophobicContact CG2-CD2 4.21Å; T413-F484 HydrophobicContact CG2-CE2 4.41Å
414	S	80.7	Confident	78	Confident	43 Å²	43	50.2 Å²	50.2	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.8	176	51.7	0	0	0	0	111.2	D420	S414-D420 CarbonylContact C-O 3.59Å; S414-D420 VanDerWaalsContact CA-O 3.32Å; S414-D420 WeakPolarHBondContact CA-O 3.42Å
415	S	79.9	Confident	77.6	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.014	26%	0.256	C	S	.	.			trans	-80.7	122.5	173.8	172.6	0	0	0	0	109.7	K417 T418 H419 D420 W481	S415-K417 PolarHBondContact O-N 3.25Å; S415-K417 PolarHBondContact OG-N 3.05Å; S415-T418 WeakPolarHBondContact CB-OG1 3.43Å; S415-T418 PolarHBondContact OG-N 3.06Å; S415-T418 PolarHBondContact OG-OG1 3.07Å; S415-H419 WeakPolarHBondContact O-CA 3.41Å; S415-H419 PolarHBondContact O-N 3.43Å; S415-D420 PolarHBondContact N-O 3.25Å; S415-W481 WeakPolarHBondContact OG-CZ3 3.43Å
416	P	74	Confident	77.1	Confident	79 Å²	79	42.7 Å²	42.7	51%	0.513	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.9	174.3	28.6	-32.9	0	0	0	112.4	H419 W481	P416-H419 PolarHBondContact O-CE1 2.99Å; P416-H419 PolarHBondContact O-ND1 3.15Å; P416-W481 HydrophobicContact CG-CZ2 4.1Å
417	K	70.7	Confident	76.6	Confident	175 Å²	175	43.5 Å²	43.5	76%	0.761	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-52.2	-178.7	-71.3	-171	176.9	-174	0	112.7	S415	S415-K417 PolarHBondContact O-N 3.25Å; S415-K417 PolarHBondContact OG-N 3.05Å
418	T	74.4	Confident	76	Confident	75 Å²	75	51.2 Å²	51.2	46%	0.46	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-14.2	-175.5	60.8	0	0	0	0	112.8	S415 D420	S415-T418 WeakPolarHBondContact CB-OG1 3.43Å; S415-T418 PolarHBondContact OG-N 3.06Å; S415-T418 PolarHBondContact OG-OG1 3.07Å; T418-D420 PolarHBondContact O-N 3.42Å; T418-D420 VanDerWaalsContact O-N 3.09Å; T418-D420 PolarHBondContact OG1-N 3.36Å; T418-D420 PolarHBondContact OG1-OD2 2.84Å
419	H	73.6	Confident	75.6	Confident	49 Å²	49	55.5 Å²	55.5	23%	0.227	28%	0.279	C	S	.	.			trans	63.9	7.7	-175.1	-55.1	7.5	0	0	0	113.2	V392 I394 Y396 S415 P416	V392-H419 PolarHBondContact O-NE2 2.85Å; I394-H419 HydrophobicContact CD1-CB 4.17Å; Y396-H419 WeakPolarHBondContact CE2-O 3.29Å; Y396-H419 PolarHBondContact OH-O 2.85Å; S415-H419 WeakPolarHBondContact O-CA 3.41Å; S415-H419 PolarHBondContact O-N 3.43Å; P416-H419 PolarHBondContact O-CE1 2.99Å; P416-H419 PolarHBondContact O-ND1 3.15Å
420	D	77.2	Confident	75.6	Confident	10 Å²	10	58 Å²	58	5%	0.053	30%	0.298	C	S	.	.			trans	-67.2	136.6	171.5	-70.9	-32	0	0	0	110.6	R382 S414 S415 T418 Y422	R382-D420 IonicContact CZ-OD2 2.75Å; R382-D420 IonicContact NE-OD1 3.64Å; R382-D420 IonicContact NE-OD2 3.37Å; R382-D420 PolarHBondContact NE-OD2 2.84Å; R382-D420 IonicContact NH2-OD2 3.63Å; R382-D420 PolarHBondContact NH2-OD2 2.91Å; S414-D420 CarbonylContact C-O 3.59Å; S414-D420 VanDerWaalsContact CA-O 3.32Å; S414-D420 WeakPolarHBondContact CA-O 3.42Å; S415-D420 PolarHBondContact N-O 3.25Å; T418-D420 PolarHBondContact O-N 3.42Å; T418-D420 VanDerWaalsContact O-N 3.09Å; T418-D420 PolarHBondContact OG1-N 3.36Å; T418-D420 PolarHBondContact OG1-OD2 2.84Å; D420-Y422 HydrophobicContact CB-CE1 4.15Å; D420-Y422 HydrophobicContact CB-CE2 4.3Å
421	A	79.5	Confident	75.4	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.1	171.7	0	0	0	0	0	111.2	Y396 I412 T413	Y396-A421 HydrophobicContact CD1-CB 3.62Å; Y396-A421 HydrophobicContact CD2-CB 3.74Å; Y396-A421 HydrophobicContact CE1-CB 3.84Å; Y396-A421 HydrophobicContact CE2-CB 3.96Å; Y396-A421 HydrophobicContact CG-CB 3.56Å; I412-A421 HydrophobicContact CD1-CB 4.38Å; T413-A421 CarbonylContact O-C 3.44Å; T413-A421 WeakPolarHBondContact O-CA 3.28Å
422	Y	79.7	Confident	75.5	Confident	9 Å²	9	59.3 Å²	59.3	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.4	-176	-56	-61.3	0	0	0	109.9	L380 I412 T413 D420 W481 F484 A485	L380-Y422 HydrophobicContact CD2-CD1 3.12Å; L380-Y422 HydrophobicContact CD2-CE1 3.55Å; L380-Y422 HydrophobicContact CD2-CG 3.97Å; L380-Y422 HydrophobicContact CG-CD1 3.87Å; I412-Y422 WeakPolarHBondContact CA-O 3.48Å; T413-Y422 HydrophobicContact CG2-CD2 4.27Å; T413-Y422 PolarHBondContact N-O 2.76Å; T413-Y422 PolarHBondContact O-N 3.01Å; D420-Y422 HydrophobicContact CB-CE1 4.15Å; D420-Y422 HydrophobicContact CB-CE2 4.3Å; Y422-W481 HydrophobicContact CD2-CB 3.91Å; Y422-W481 HydrophobicContact CE2-CB 4.07Å; Y422-F484 HydrophobicContact CD1-CB 4.46Å; Y422-F484 HydrophobicContact CD2-CB 4.41Å; Y422-F484 HydrophobicContact CG-CB 4.21Å; Y422-A485 HydrophobicContact CE2-CB 4.47Å
423	L	81.5	Confident	75.5	Confident	27 Å²	27	59 Å²	59	14%	0.141	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.8	168.8	-128.7	98.1	0	0	0	108.5	A398 I410 I412 V435 V437	A398-L423 HydrophobicContact CB-CD1 4.04Å; I410-L423 HydrophobicContact CG2-CD2 3.5Å; I410-L423 HydrophobicContact CG2-CG 3.81Å; I412-L423 HydrophobicContact CB-CD1 4.36Å; I412-L423 HydrophobicContact CD1-CD1 4.03Å; I412-L423 HydrophobicContact CG1-CD1 4.26Å; L423-V435 HydrophobicContact CD1-CG1 4.26Å; L423-V435 HydrophobicContact CD2-CG1 4.14Å; L423-V435 HydrophobicContact CD2-CG2 4.33Å; L423-V437 HydrophobicContact CD1-CG2 4.06Å
424	F	78.2	Confident	75.7	Confident	10 Å²	10	60.2 Å²	60.2	4%	0.044	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148	178.9	64.8	-80.9	0	0	0	110.7	V378 I410 D411 T413 A480 F484 I513 V515	V378-F424 HydrophobicContact CG1-CB 4.42Å; I410-F424 WeakPolarHBondContact CA-O 3.48Å; D411-F424 HydrophobicContact CB-CD1 4.48Å; D411-F424 HydrophobicContact CB-CD2 4.46Å; D411-F424 HydrophobicContact CB-CE1 3.85Å; D411-F424 HydrophobicContact CB-CE2 3.84Å; D411-F424 HydrophobicContact CB-CZ 3.5Å; D411-F424 VanDerWaalsContact CB-CZ 3.5Å; D411-F424 PolarHBondContact N-O 2.91Å; D411-F424 PolarHBondContact O-N 3.48Å; T413-F424 HydrophobicContact CG2-CD1 3.98Å; T413-F424 HydrophobicContact CG2-CE1 3.56Å; F424-A480 HydrophobicContact CZ-CB 4.45Å; F424-F484 HydrophobicContact CB-CE1 4Å; F424-F484 HydrophobicContact CB-CE2 3.94Å; F424-F484 HydrophobicContact CB-CZ 3.55Å; F424-F484 HydrophobicContact CD1-CD2 4.3Å; F424-F484 AromaticContact CD1-CE2 3.58Å; F424-F484 HydrophobicContact CD1-CE2 3.58Å; F424-F484 HydrophobicContact CD1-CZ 4.03Å; F424-F484 AromaticContact CD2-CE2 3.91Å; F424-F484 HydrophobicContact CD2-CE2 3.91Å; F424-F484 AromaticContact CD2-CZ 3.64Å; F424-F484 HydrophobicContact CD2-CZ 3.64Å; F424-F484 HydrophobicContact CE1-CE2 4.03Å; F424-F484 HydrophobicContact CE2-CE2 4.32Å; F424-F484 HydrophobicContact CE2-CZ 4.34Å; F424-F484 HydrophobicContact CG-CD2 4.49Å; F424-F484 HydrophobicContact CG-CE1 4.38Å; F424-F484 AromaticContact CG-CE2 3.52Å; F424-F484 HydrophobicContact CG-CE2 3.52Å; F424-F484 AromaticContact CG-CZ 3.45Å; F424-F484 HydrophobicContact CG-CZ 3.45Å; F424-F484 VanDerWaalsContact CG-CZ 3.45Å; F424-F484 HydrophobicContact CZ-CE2 4.37Å; F424-I513 WeakPolarHBondContact CE2-O 3.27Å; F424-V515 HydrophobicContact CZ-CG2 4.31Å
425	G	72.5	Confident	76	Confident	22 Å²	22	58.2 Å²	58.2	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.3	163.4	-176.5	0	0	0	0	0	112.4	W409	W409-G425 CarbonylContact O-C 3.46Å; W409-G425 WeakPolarHBondContact O-CA 3.35Å
426	N	69.5	Low	76.3	Confident	60 Å²	60	59.3 Å²	59.3	32%	0.321	32%	0.315	S	S	.	.			trans	-112.8	106.6	176.6	-154.3	-1.8	0	0	0	110.8	W409 Y511	W409-N426 WeakPolarHBondContact CB-O 3.27Å; W409-N426 PolarHBondContact O-N 2.99Å; N426-Y511 PolarHBondContact ND2-O 3.29Å
427	P	71.5	Confident	77	Confident	49 Å²	49	55.7 Å²	55.7	32%	0.318	29%	0.291	S	S	.	.			trans	-63.5	140.2	-172.6	21.6	-30.5	0	0	0	112.6	W409 V456	W409-P427 VanDerWaalsContact CE3-CA 3.45Å; W409-P427 HydrophobicContact CE3-CB 4.22Å; W409-P427 HydrophobicContact CH2-CB 3.62Å; W409-P427 HydrophobicContact CZ2-CB 4.04Å; W409-P427 VanDerWaalsContact CZ3-CA 3.49Å; W409-P427 HydrophobicContact CZ3-CB 3.72Å; W409-P427 HydrophobicContact CZ3-CG 4.31Å; P427-V456 HydrophobicContact CB-CB 4.27Å; P427-V456 HydrophobicContact CB-CG1 3.43Å; P427-V456 VanDerWaalsContact CB-CG1 3.43Å; P427-V456 HydrophobicContact CB-CG2 3.81Å; P427-V456 HydrophobicContact CG-CG1 3.67Å; P427-V456 HydrophobicContact CG-CG2 4.36Å
428	R	67.3	Low	77.8	Confident	187 Å²	187	49.5 Å²	49.5	71%	0.706	27%	0.266	S	S	*	.	S	Bend	trans	-97	-22.4	178.3	-69.5	-169.4	177.2	-168.3	0.7	114.4
429	K	67.5	Low	78.4	Confident	181 Å²	181	46.1 Å²	46.1	79%	0.787	25%	0.246	S	C	*	.	S	Bend	trans	-140.3	143.8	-177.9	-74.6	-173.6	176.5	-176.9	0	109.2	V456	K429-V456 WeakPolarHBondContact O-CG1 3.4Å
430	V	72.4	Confident	78.9	Confident	90 Å²	90	46.4 Å²	46.4	55%	0.545	25%	0.248	S	C	.	.			trans	-66.6	139	170.2	-159.9	0	0	0	0	108.5	V456 D458	V430-V456 WeakPolarHBondContact CG1-O 3.4Å; V430-D458 HydrophobicContact CG1-CB 4.2Å; V430-D458 HydrophobicContact CG2-CB 3.6Å
431	G	74.7	Confident	79.1	Confident	34 Å²	34	47.8 Å²	47.8	35%	0.351	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.3	174	-179.4	0	0	0	0	0	113.5	V456	G431-V456 PolarHBondContact N-O 3.28Å; G431-V456 WeakPolarHBondContact O-CA 3.3Å; G431-V456 VanDerWaalsContact O-CB 3.3Å; G431-V456 WeakPolarHBondContact O-CB 3.26Å; G431-V456 PolarHBondContact O-N 3.12Å
432	S	79.2	Confident	79.1	Confident	72 Å²	72	53.8 Å²	53.8	50%	0.503	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.7	178.2	-38	0	0	0	0	109.2	V454 H455	S432-V454 CarbonylContact C-O 3.53Å; S432-V454 WeakPolarHBondContact CA-O 3.47Å; S432-H455 PolarHBondContact OG-CE1 2.73Å; S432-H455 PolarHBondContact OG-ND1 3.33Å
433	I	81.7	Confident	79	Confident	38 Å²	38	56.4 Å²	56.4	20%	0.195	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.5	177.9	17.5	166.2	0	0	0	109.8	L400 W409 I410 V454 V456	L400-I433 HydrophobicContact CD2-CB 3.88Å; L400-I433 HydrophobicContact CD2-CG2 3.45Å; L400-I433 VanDerWaalsContact CD2-CG2 3.45Å; W409-I433 HydrophobicContact CH2-CD1 3.67Å; W409-I433 HydrophobicContact CZ2-CD1 3.39Å; I410-I433 HydrophobicContact CD1-CD1 4.03Å; I433-V454 HydrophobicContact CG1-CB 4.26Å; I433-V454 PolarHBondContact N-O 2.72Å; I433-V454 PolarHBondContact O-N 3.12Å; I433-V456 HydrophobicContact CD1-CG2 4.44Å
434	D	84.8	Confident	79	Confident	52 Å²	52	59 Å²	59	28%	0.278	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.8	178.4	-71	-21.7	0	0	0	109.5	L400 D401 L452 R453	L400-D434 WeakPolarHBondContact CA-O 3.36Å; L400-D434 WeakPolarHBondContact CD2-O 3.49Å; D401-D434 HydrophobicContact CB-CB 4.03Å; D401-D434 PolarHBondContact N-O 2.92Å; D434-L452 CarbonylContact C-O 3.54Å; D434-L452 WeakPolarHBondContact CA-O 3.41Å; D434-R453 WeakPolarHBondContact OD1-CA 3.32Å; D434-R453 VanDerWaalsContact OD1-CB 3.23Å; D434-R453 WeakPolarHBondContact OD1-CB 3.27Å; D434-R453 WeakPolarHBondContact OD1-CG 3.43Å; D434-R453 IonicContact OD1-CZ 2.92Å; D434-R453 IonicContact OD1-NE 2.7Å; D434-R453 PolarHBondContact OD1-NE 3.37Å; D434-R453 IonicContact OD1-NH2 2.79Å; D434-R453 IonicContact OD2-CZ 3.65Å; D434-R453 IonicContact OD2-NE 3.78Å; D434-R453 PolarHBondContact OD2-NE 3.49Å; D434-R453 IonicContact OD2-NH2 3.87Å; D434-R453 PolarHBondContact OD2-NH2 2.96Å
435	V	86	Confident	79	Confident	1 Å²	1	67 Å²	67	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.9	-179.2	-179	0	0	0	0	109.2	A398 S399 L406 L423 V437 L452 V454	A398-V435 HydrophobicContact CB-CG1 4.32Å; S399-V435 CarbonylContact O-C 3.54Å; S399-V435 WeakPolarHBondContact O-CA 3.49Å; L406-V435 HydrophobicContact CD2-CG1 4Å; L406-V435 HydrophobicContact CD2-CG2 4.36Å; L423-V435 HydrophobicContact CD1-CG1 4.26Å; L423-V435 HydrophobicContact CD2-CG1 4.14Å; L423-V435 HydrophobicContact CD2-CG2 4.33Å; V435-V437 HydrophobicContact CG1-CG2 4.07Å; V435-L452 HydrophobicContact CB-CB 4.44Å; V435-L452 PolarHBondContact N-O 3.04Å; V435-L452 PolarHBondContact O-N 3.43Å; V435-V454 HydrophobicContact CG2-CG2 4.17Å
436	L	87.2	Confident	79.4	Confident	24 Å²	24	70 Å²	70	13%	0.126	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.6	170.6	-157.8	71.6	0	0	0	109.1	A398 S399 I438 L449 R451	A398-L436 CarbonylContact C-O 3.57Å; A398-L436 VanDerWaalsContact CA-O 3.23Å; A398-L436 WeakPolarHBondContact CA-O 2.97Å; S399-L436 PolarHBondContact N-O 2.76Å; S399-L436 PolarHBondContact O-N 3.25Å; L436-I438 HydrophobicContact CD2-CD1 4.35Å; L436-I438 HydrophobicContact CD2-CG1 4.49Å; L436-L449 HydrophobicContact CD1-CD2 3.32Å; L436-L449 HydrophobicContact CD1-CG 4.3Å; L436-L449 HydrophobicContact CD2-CD1 4.4Å; L436-L449 HydrophobicContact CD2-CD2 4.18Å; L436-L449 HydrophobicContact CG-CD2 3.82Å; L436-L449 HydrophobicContact CG-CG 4.3Å; L436-R451 HydrophobicContact CD1-CG 3.37Å
437	V	88	Confident	80	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.018	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.4	172.9	-172.4	0	0	0	0	109.3	L383 Y396 A398 I412 L423 V435 L449 K450 L452	L383-V437 HydrophobicContact CD1-CB 3.88Å; L383-V437 HydrophobicContact CD1-CG1 3.59Å; L383-V437 HydrophobicContact CD1-CG2 4.02Å; Y396-V437 HydrophobicContact CD1-CG1 4.22Å; A398-V437 HydrophobicContact CB-CG2 4.08Å; I412-V437 HydrophobicContact CD1-CG1 4.06Å; L423-V437 HydrophobicContact CD1-CG2 4.06Å; V435-V437 HydrophobicContact CG1-CG2 4.07Å; V437-L449 CarbonylContact O-C 3.57Å; V437-L449 WeakPolarHBondContact O-CA 3.42Å; V437-K450 PolarHBondContact N-O 2.81Å; V437-K450 PolarHBondContact O-N 2.87Å; V437-L452 HydrophobicContact CG2-CD1 3.86Å
438	I	86.6	Confident	80.4	Confident	46 Å²	46	71.2 Å²	71.2	24%	0.236	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.3	179.5	-48.9	179.5	0	0	0	108.1	Y396 T397 L436 T447 S448 L449	Y396-I438 WeakPolarHBondContact CA-O 3.34Å; T397-I438 PolarHBondContact N-O 3.03Å; T397-I438 PolarHBondContact O-N 3.01Å; L436-I438 HydrophobicContact CD2-CD1 4.35Å; L436-I438 HydrophobicContact CD2-CG1 4.49Å; I438-T447 HydrophobicContact CG2-CG2 4.43Å; I438-S448 CarbonylContact C-O 3.49Å; I438-S448 WeakPolarHBondContact CA-O 3.23Å; I438-L449 HydrophobicContact CD1-CD1 3.97Å; I438-L449 HydrophobicContact CG1-CD1 3.78Å; I438-L449 HydrophobicContact CG1-CG 4.04Å
439	G	87.6	Confident	81.3	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.3	170.4	0	0	0	0	0	110.1	T447 S448	G439-T447 CarbonylContact O-C 3.31Å; G439-T447 WeakPolarHBondContact O-CA 3.3Å; G439-S448 PolarHBondContact N-O 2.88Å; G439-S448 PolarHBondContact O-N 2.99Å
440	L	84.5	Confident	81.9	Confident	55 Å²	55	63.9 Å²	63.9	29%	0.288	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.4	174.2	-175.5	90.8	0	0	0	109.3	R395 R442 T447	R395-L440 PolarHBondContact N-O 2.9Å; R395-L440 PolarHBondContact O-N 2.78Å; L440-R442 PolarHBondContact O-N 3.46Å; L440-T447 HydrophobicContact CD1-CG2 3.42Å; L440-T447 VanDerWaalsContact CD1-CG2 3.42Å
441	N	82.2	Confident	82.5	Confident	40 Å²	40	67.8 Å²	67.8	21%	0.214	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.2	167.2	-175.2	-32.2	0	0	0	109.1	V392 A443 T444 Y445 T446	V392-N441 WeakPolarHBondContact CG1-OD1 3.35Å; N441-A443 PolarHBondContact OD1-N 2.87Å; N441-T444 VanDerWaalsContact CB-OG1 3.28Å; N441-T444 WeakPolarHBondContact CB-OG1 3.06Å; N441-T444 PolarHBondContact ND2-OG1 3.03Å; N441-T444 PolarHBondContact OD1-N 2.7Å; N441-T444 PolarHBondContact OD1-OG1 2.74Å; N441-Y445 WeakPolarHBondContact O-CA 3.23Å; N441-Y445 PolarHBondContact O-N 2.91Å; N441-T446 PolarHBondContact N-O 2.83Å
442	R	79.5	Confident	82.9	Confident	127 Å²	127	67 Å²	67	48%	0.479	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.4	-175.9	-78.4	-175.7	151.5	-170.9	-5.5	115.2	V392 P393 L440	V392-R442 HydrophobicContact CG1-CB 4.44Å; P393-R442 WeakPolarHBondContact O-CB 3.5Å; P393-R442 WeakPolarHBondContact O-CD 2.93Å; P393-R442 VanDerWaalsContact O-CG 3.26Å; P393-R442 WeakPolarHBondContact O-CG 3.31Å; L440-R442 PolarHBondContact O-N 3.46Å
443	A	76.5	Confident	83	Confident	63 Å²	63	71.4 Å²	71.4	52%	0.521	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-43.4	177.4	0	0	0	0	0	111.5	V392 N441	V392-A443 HydrophobicContact CB-CB 4.26Å; V392-A443 HydrophobicContact CG1-CB 3.4Å; V392-A443 VanDerWaalsContact CG1-CB 3.4Å; V392-A443 HydrophobicContact CG2-CB 3.88Å; N441-A443 PolarHBondContact OD1-N 2.87Å
444	T	80.7	Confident	82.8	Confident	81 Å²	81	71.5 Å²	71.5	50%	0.497	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-9.8	-173.8	56.2	0	0	0	0	113.3	N441 T446	N441-T444 VanDerWaalsContact CB-OG1 3.28Å; N441-T444 WeakPolarHBondContact CB-OG1 3.06Å; N441-T444 PolarHBondContact ND2-OG1 3.03Å; N441-T444 PolarHBondContact OD1-N 2.7Å; N441-T444 PolarHBondContact OD1-OG1 2.74Å; T444-T446 PolarHBondContact O-N 2.85Å; T444-T446 PolarHBondContact OG1-N 3.33Å; T444-T446 PolarHBondContact OG1-OG1 3.39Å
445	Y	79.3	Confident	82.5	Confident	180 Å²	180	74.8 Å²	74.8	71%	0.706	37%	0.366	S	S	*	.			trans	55.4	17	-170.6	-63.3	-86.4	0	0	0	114	N441	N441-Y445 WeakPolarHBondContact O-CA 3.23Å; N441-Y445 PolarHBondContact O-N 2.91Å
446	T	80.2	Confident	81.8	Confident	85 Å²	85	75.7 Å²	75.7	52%	0.521	37%	0.371	S	S	.	.			trans	-74.5	132.4	176.1	52.1	0	0	0	0	109.8	N441 T444	N441-T446 PolarHBondContact N-O 2.83Å; T444-T446 PolarHBondContact O-N 2.85Å; T444-T446 PolarHBondContact OG1-N 3.33Å; T444-T446 PolarHBondContact OG1-OG1 3.39Å
447	T	82.3	Confident	80.8	Confident	96 Å²	96	78.6 Å²	78.6	59%	0.589	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.6	176.7	50.1	0	0	0	0	110.4	I438 G439 L440	I438-T447 HydrophobicContact CG2-CG2 4.43Å; G439-T447 CarbonylContact O-C 3.31Å; G439-T447 WeakPolarHBondContact O-CA 3.3Å; L440-T447 HydrophobicContact CD1-CG2 3.42Å; L440-T447 VanDerWaalsContact CD1-CG2 3.42Å
448	S	80.4	Confident	79.4	Confident	38 Å²	38	83.3 Å²	83.3	27%	0.266	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.8	164.5	65.4	0	0	0	0	109.8	H385 I438 G439	H385-S448 PolarHBondContact CE1-OG 2.78Å; H385-S448 VanDerWaalsContact CE1-OG 3.25Å; H385-S448 WeakPolarHBondContact NE2-CB 3.14Å; H385-S448 PolarHBondContact NE2-OG 2.77Å; I438-S448 CarbonylContact C-O 3.49Å; I438-S448 WeakPolarHBondContact CA-O 3.23Å; G439-S448 PolarHBondContact N-O 2.88Å; G439-S448 PolarHBondContact O-N 2.99Å
449	L	85.9	Confident	77.6	Confident	107 Å²	107	85.1 Å²	85.1	56%	0.56	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	133	-170.9	-153.9	137.6	0	0	0	109.3	L436 V437 I438	L436-L449 HydrophobicContact CD1-CD2 3.32Å; L436-L449 HydrophobicContact CD1-CG 4.3Å; L436-L449 HydrophobicContact CD2-CD1 4.4Å; L436-L449 HydrophobicContact CD2-CD2 4.18Å; L436-L449 HydrophobicContact CG-CD2 3.82Å; L436-L449 HydrophobicContact CG-CG 4.3Å; V437-L449 CarbonylContact O-C 3.57Å; V437-L449 WeakPolarHBondContact O-CA 3.42Å; I438-L449 HydrophobicContact CD1-CD1 3.97Å; I438-L449 HydrophobicContact CG1-CD1 3.78Å; I438-L449 HydrophobicContact CG1-CG 4.04Å
450	K	80.8	Confident	75.3	Confident	107 Å²	107	87 Å²	87	47%	0.465	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.4	-177.7	-167.3	127.8	169.2	-177.3	0	109.8	L383 V437 L452	L383-K450 HydrophobicContact CD2-CB 3.96Å; L383-K450 HydrophobicContact CD2-CD 3.44Å; L383-K450 VanDerWaalsContact CD2-CD 3.44Å; L383-K450 HydrophobicContact CD2-CG 3.52Å; V437-K450 PolarHBondContact N-O 2.81Å; V437-K450 PolarHBondContact O-N 2.87Å; K450-L452 HydrophobicContact CG-CD2 4.16Å
451	R	85.3	Confident	73.1	Confident	172 Å²	172	94.7 Å²	94.7	65%	0.649	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.9	170.7	-81.4	-178.7	173	145.7	3.1	109.9	D401 L436	D401-R451 IonicContact OD1-NE 3.98Å; D401-R451 IonicContact OD1-NH2 3.01Å; D401-R451 IonicContact OD2-CZ 3.07Å; D401-R451 IonicContact OD2-NE 3.35Å; D401-R451 PolarHBondContact OD2-NE 2.82Å; D401-R451 IonicContact OD2-NH2 3.6Å; D401-R451 PolarHBondContact OD2-NH2 2.82Å; L436-R451 HydrophobicContact CD1-CG 3.37Å
452	L	81.4	Confident	71.1	Confident	16 Å²	16	97.2 Å²	97.2	8%	0.084	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.5	-179.6	-62.9	176.7	0	0	0	109.1	I381 L383 D434 V435 V437 K450	I381-L452 HydrophobicContact CB-CD1 4.44Å; I381-L452 HydrophobicContact CB-CD2 4.47Å; I381-L452 HydrophobicContact CD1-CB 4.36Å; I381-L452 HydrophobicContact CD1-CD1 4.31Å; I381-L452 HydrophobicContact CD1-CD2 3.85Å; I381-L452 HydrophobicContact CD1-CG 4.41Å; I381-L452 HydrophobicContact CG2-CD1 4.43Å; I381-L452 HydrophobicContact CG2-CD2 3.79Å; L383-L452 HydrophobicContact CD1-CD1 4.34Å; L383-L452 HydrophobicContact CD2-CD1 4.31Å; L383-L452 HydrophobicContact CD2-CD2 4.29Å; D434-L452 CarbonylContact C-O 3.54Å; D434-L452 WeakPolarHBondContact CA-O 3.41Å; V435-L452 HydrophobicContact CB-CB 4.44Å; V435-L452 PolarHBondContact N-O 3.04Å; V435-L452 PolarHBondContact O-N 3.43Å; V437-L452 HydrophobicContact CG2-CD1 3.86Å; K450-L452 HydrophobicContact CG-CD2 4.16Å
453	R	82.2	Confident	69.2	Low	165 Å²	165	100.6 Å²	100.6	62%	0.623	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.9	171.2	-177.2	161.3	-70.1	165.7	-0.7	109.5	D434	D434-R453 WeakPolarHBondContact OD1-CA 3.32Å; D434-R453 VanDerWaalsContact OD1-CB 3.23Å; D434-R453 WeakPolarHBondContact OD1-CB 3.27Å; D434-R453 WeakPolarHBondContact OD1-CG 3.43Å; D434-R453 IonicContact OD1-CZ 2.92Å; D434-R453 IonicContact OD1-NE 2.7Å; D434-R453 PolarHBondContact OD1-NE 3.37Å; D434-R453 IonicContact OD1-NH2 2.79Å; D434-R453 IonicContact OD2-CZ 3.65Å; D434-R453 IonicContact OD2-NE 3.78Å; D434-R453 PolarHBondContact OD2-NE 3.49Å; D434-R453 IonicContact OD2-NH2 3.87Å; D434-R453 PolarHBondContact OD2-NH2 2.96Å
454	V	77.4	Confident	67.5	Low	40 Å²	40	104.1 Å²	104.1	24%	0.242	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.2	179.7	-177.9	0	0	0	0	108.8	S432 I433 V435 V456	S432-V454 CarbonylContact C-O 3.53Å; S432-V454 WeakPolarHBondContact CA-O 3.47Å; I433-V454 HydrophobicContact CG1-CB 4.26Å; I433-V454 PolarHBondContact N-O 2.72Å; I433-V454 PolarHBondContact O-N 3.12Å; V435-V454 HydrophobicContact CG2-CG2 4.17Å; V454-V456 HydrophobicContact CG1-CG2 4.46Å
455	H	77.9	Confident	65.9	Low	122 Å²	122	108.4 Å²	108.4	57%	0.565	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.1	172.1	-80.7	-80.5	0	0	0	110.5	S432	S432-H455 PolarHBondContact OG-CE1 2.73Å; S432-H455 PolarHBondContact OG-ND1 3.33Å
456	V	71.4	Confident	64.6	Low	19 Å²	19	103.6 Å²	103.6	12%	0.115	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112.4	170.7	-177.3	0	0	0	0	108.2	W409 P427 K429 V430 G431 I433 V454	W409-V456 HydrophobicContact CH2-CG2 4.17Å; P427-V456 HydrophobicContact CB-CB 4.27Å; P427-V456 HydrophobicContact CB-CG1 3.43Å; P427-V456 VanDerWaalsContact CB-CG1 3.43Å; P427-V456 HydrophobicContact CB-CG2 3.81Å; P427-V456 HydrophobicContact CG-CG1 3.67Å; P427-V456 HydrophobicContact CG-CG2 4.36Å; K429-V456 WeakPolarHBondContact O-CG1 3.4Å; V430-V456 WeakPolarHBondContact CG1-O 3.4Å; G431-V456 PolarHBondContact N-O 3.28Å; G431-V456 WeakPolarHBondContact O-CA 3.3Å; G431-V456 VanDerWaalsContact O-CB 3.3Å; G431-V456 WeakPolarHBondContact O-CB 3.26Å; G431-V456 PolarHBondContact O-N 3.12Å; I433-V456 HydrophobicContact CD1-CG2 4.44Å; V454-V456 HydrophobicContact CG1-CG2 4.46Å
457	V	67.3	Low	63.7	Low	86 Å²	86	100 Å²	100	52%	0.521	48%	0.484	S	S	.	.			trans	-112.1	132.2	179.6	-164.8	0	0	0	0	109.1	Q459	V457-Q459 PolarHBondContact O-N 3.05Å
458	D	59	Low	63.2	Low	101 Å²	101	99.4 Å²	99.4	54%	0.54	48%	0.477	S	S	.	.			trans	-78.9	105.5	172.6	-167.3	-5.6	0	0	0	109.1	V430 T460	V430-D458 HydrophobicContact CG1-CB 4.2Å; V430-D458 HydrophobicContact CG2-CB 3.6Å; D458-T460 VanDerWaalsContact C-N 3.3Å; D458-T460 PolarHBondContact OD1-N 3.1Å
459	Q	47.8	Very low	63.2	Low	85 Å²	85	99.4 Å²	99.4	40%	0.397	47%	0.473	S	S	.	.			trans	-85	-4.5	-176.8	-69.2	-172.4	-8.4	0	0	113	L376 V457	L376-Q459 HydrophobicContact CD1-CB 3.78Å; L376-Q459 HydrophobicContact CD1-CG 3.63Å; L376-Q459 HydrophobicContact CG-CG 4.11Å; V457-Q459 PolarHBondContact O-N 3.05Å
460	T	39.9	Very low	63.2	Low	43 Å²	43	97 Å²	97	26%	0.264	46%	0.456	S	S	.	.			trans	-138.3	99.6	-174	53.6	0	0	0	0	112.6	D458 T462 Y464	D458-T460 VanDerWaalsContact C-N 3.3Å; D458-T460 PolarHBondContact OD1-N 3.1Å; T460-T462 VanDerWaalsContact CB-OG1 3.29Å; T460-T462 WeakPolarHBondContact CB-OG1 3.3Å; T460-T462 PolarHBondContact O-N 2.8Å; T460-Y464 HydrophobicContact CG2-CE2 4.23Å
461	K	38.4	Very low	63.5	Low	216 Å²	216	92 Å²	92	94%	0.939	43%	0.434	S	S	*	.			trans	-57.2	-10.3	156.5	-80.7	-174.3	177.9	178.2	0	112.9	K463	K461-K463 PolarHBondContact O-N 3.23Å
462	T	39.4	Very low	63.7	Low	93 Å²	93	84.7 Å²	84.7	57%	0.571	41%	0.407	S	S	*	.	S	Bend	trans	-68.6	102.3	165.2	60.9	0	0	0	0	107.4	T460 Y464	T460-T462 VanDerWaalsContact CB-OG1 3.29Å; T460-T462 WeakPolarHBondContact CB-OG1 3.3Å; T460-T462 PolarHBondContact O-N 2.8Å; T462-Y464 PolarHBondContact O-N 3.48Å
463	K	39.2	Very low	64	Low	197 Å²	197	84 Å²	84	86%	0.857	40%	0.403	S	S	*	.			trans	-45.4	94.4	161.7	-78.9	177	175	175	0	107.6	K461 K465	K461-K463 PolarHBondContact O-N 3.23Å; K463-K465 PolarHBondContact O-N 3.09Å
464	Y	42.1	Very low	64.3	Low	138 Å²	138	76.4 Å²	76.4	54%	0.541	38%	0.376	S	S	.	.			trans	-58.5	102.6	155.2	-85.5	-93.3	0	0	0	102.8	T460 T462 S466 L539	T460-Y464 HydrophobicContact CG2-CE2 4.23Å; T462-Y464 PolarHBondContact O-N 3.48Å; Y464-S466 PolarHBondContact O-N 2.88Å; Y464-L539 HydrophobicContact CD1-CD1 4.49Å; Y464-L539 HydrophobicContact CD1-CD2 3.73Å; Y464-L539 HydrophobicContact CD1-CG 3.81Å; Y464-L539 HydrophobicContact CE1-CD1 3.72Å; Y464-L539 HydrophobicContact CE1-CD2 3.65Å; Y464-L539 HydrophobicContact CE1-CG 3.53Å
465	K	46.3	Very low	64.9	Low	170 Å²	170	74.5 Å²	74.5	74%	0.739	36%	0.364	S	S	*	.			trans	-60	95.7	161.4	-93.8	-177.5	174.1	177.2	0	103.1	K463 S467	K463-K465 PolarHBondContact O-N 3.09Å; K465-S467 VanDerWaalsContact C-N 3.28Å; K465-S467 PolarHBondContact O-N 3.46Å
466	S	52.5	Low	65.3	Low	79 Å²	79	70.8 Å²	70.8	55%	0.552	35%	0.354	S	S	*	.			trans	-48.7	103.8	172.5	159.2	0	0	0	0	105.1	Y464 D468	Y464-S466 PolarHBondContact O-N 2.88Å; S466-D468 PolarHBondContact O-N 3.34Å
467	S	61.1	Low	66.1	Low	11 Å²	11	72 Å²	72	8%	0.077	36%	0.36	C	S	.	.			trans	-59.7	137.1	177.6	62.7	0	0	0	0	107.4	K465 Q469 P538 D540	K465-S467 VanDerWaalsContact C-N 3.28Å; K465-S467 PolarHBondContact O-N 3.46Å; S467-Q469 PolarHBondContact O-N 2.8Å; S467-Q469 VanDerWaalsContact O-N 3.13Å; S467-Q469 PolarHBondContact OG-O 3.36Å; S467-P538 WeakPolarHBondContact CB-O 3.5Å; S467-P538 WeakPolarHBondContact OG-CD 3.33Å; S467-P538 WeakPolarHBondContact OG-CG 3.12Å; S467-P538 PolarHBondContact OG-O 3.27Å; S467-D540 WeakPolarHBondContact CB-O 3.33Å
468	D	70.8	Confident	67.1	Low	83 Å²	83	69.8 Å²	69.8	44%	0.444	34%	0.343	S	S	.	.	S	Bend	trans	-67.6	-12.6	-179.3	-77.6	-31	0	0	0	112.1	S466 S587 T588	S466-D468 PolarHBondContact O-N 3.34Å; D468-S587 CarbonylContact O-C 3.6Å; D468-S587 VanDerWaalsContact O-CA 3.23Å; D468-S587 WeakPolarHBondContact O-CA 3.34Å; D468-T588 WeakPolarHBondContact CA-OG1 3.47Å; D468-T588 WeakPolarHBondContact CB-OG1 3.44Å; D468-T588 PolarHBondContact O-N 3.37Å; D468-T588 PolarHBondContact O-OG1 2.82Å; D468-T588 VanDerWaalsContact O-OG1 3.09Å; D468-T588 PolarHBondContact OD1-OG1 2.99Å
469	Q	81.3	Confident	68.3	Low	38 Å²	38	66.8 Å²	66.8	18%	0.178	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129	-176.6	-68.7	-171.6	-19.4	0	0	112.4	S467 P538 F542 W586	S467-Q469 PolarHBondContact O-N 2.8Å; S467-Q469 VanDerWaalsContact O-N 3.13Å; S467-Q469 PolarHBondContact OG-O 3.36Å; Q469-P538 WeakPolarHBondContact O-CD 3.31Å; Q469-F542 HydrophobicContact CB-CD2 3.96Å; Q469-F542 HydrophobicContact CB-CE2 4.17Å; Q469-W586 WeakPolarHBondContact CA-O 3.43Å
470	R	85.3	Confident	69.9	Low	57 Å²	57	62.9 Å²	62.9	22%	0.215	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.8	174.1	-64.6	-173.7	-176.9	170.7	-0.3	110.7	Y511 T535 V536 A537 L585 W586	R470-Y511 VanDerWaalsContact CZ-CE1 3.47Å; R470-Y511 VanDerWaalsContact CZ-CZ 3.46Å; R470-Y511 VanDerWaalsContact NH2-CZ 3.25Å; R470-Y511 PolarHBondContact NH2-OH 2.97Å; R470-Y511 VanDerWaalsContact NH2-OH 3.14Å; R470-T535 HydrophobicContact CB-CG2 4.35Å; R470-V536 WeakPolarHBondContact CA-O 3.4Å; R470-A537 HydrophobicContact CG-CB 4.4Å; R470-L585 CarbonylContact O-C 3.42Å; R470-L585 WeakPolarHBondContact O-CA 3.35Å; R470-W586 HydrophobicContact CB-CE3 3.92Å; R470-W586 PolarHBondContact N-O 3.22Å; R470-W586 PolarHBondContact O-N 3.26Å
471	I	87.8	Confident	71.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140	174.2	-61.7	167.6	0	0	0	108.5	L473 F501 T535 V536 F542 V546 F583 R584 L585	I471-L473 HydrophobicContact CG2-CD2 3.92Å; I471-F501 HydrophobicContact CD1-CB 4.19Å; I471-F501 HydrophobicContact CD1-CD1 3.45Å; I471-F501 VanDerWaalsContact CD1-CD1 3.45Å; I471-F501 HydrophobicContact CD1-CE1 4Å; I471-F501 HydrophobicContact CD1-CG 3.86Å; I471-F501 HydrophobicContact CG2-CE1 4.43Å; I471-F501 HydrophobicContact CG2-CZ 4.5Å; I471-T535 CarbonylContact O-C 3.5Å; I471-T535 WeakPolarHBondContact O-CA 3.45Å; I471-V536 HydrophobicContact CB-CB 4.38Å; I471-V536 PolarHBondContact N-O 3.26Å; I471-V536 PolarHBondContact O-N 3.43Å; I471-F542 HydrophobicContact CB-CZ 4.4Å; I471-F542 HydrophobicContact CD1-CD1 4.07Å; I471-F542 HydrophobicContact CD1-CD2 3.93Å; I471-F542 HydrophobicContact CD1-CE1 3.6Å; I471-F542 HydrophobicContact CD1-CE2 3.43Å; I471-F542 VanDerWaalsContact CD1-CE2 3.43Å; I471-F542 HydrophobicContact CD1-CG 4.22Å; I471-F542 HydrophobicContact CD1-CZ 3.23Å; I471-F542 HydrophobicContact CG1-CD2 4.21Å; I471-F542 HydrophobicContact CG1-CE1 4.47Å; I471-F542 HydrophobicContact CG1-CE2 3.49Å; I471-F542 VanDerWaalsContact CG1-CE2 3.49Å; I471-F542 HydrophobicContact CG1-CZ 3.63Å; I471-V546 HydrophobicContact CD1-CG1 3.41Å; I471-V546 VanDerWaalsContact CD1-CG1 3.41Å; I471-V546 HydrophobicContact CG1-CG1 4.46Å; I471-F583 HydrophobicContact CD1-CZ 4.37Å; I471-F583 HydrophobicContact CG1-CZ 4.31Å; I471-F583 HydrophobicContact CG2-CD2 3.94Å; I471-F583 HydrophobicContact CG2-CE1 4.42Å; I471-F583 HydrophobicContact CG2-CE2 3.18Å; I471-F583 HydrophobicContact CG2-CZ 3.47Å; I471-F583 VanDerWaalsContact CG2-CZ 3.47Å; I471-R584 CarbonylContact C-O 3.52Å; I471-R584 VanDerWaalsContact CA-O 3.25Å; I471-R584 WeakPolarHBondContact CA-O 3.29Å; I471-L585 HydrophobicContact CD1-CD1 4.18Å; I471-L585 HydrophobicContact CG1-CD1 3.48Å; I471-L585 VanDerWaalsContact CG1-CD1 3.48Å
472	Q	88.8	Confident	74.1	Confident	20 Å²	20	53.7 Å²	53.7	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.6	162.9	-84.6	-167.5	-24.3	0	0	111.1	L533 V534 T535 F583 R584 W586	Q472-L533 VanDerWaalsContact CD-CD2 3.48Å; Q472-L533 HydrophobicContact CG-CG 4.44Å; Q472-V534 WeakPolarHBondContact CA-O 3.49Å; Q472-T535 HydrophobicContact CG-CG2 3.93Å; Q472-T535 PolarHBondContact NE2-OG1 3.39Å; Q472-F583 WeakPolarHBondContact O-CA 3.25Å; Q472-R584 HydrophobicContact CB-CB 4.5Å; Q472-R584 PolarHBondContact N-O 3.01Å; Q472-R584 PolarHBondContact O-N 2.98Å; Q472-W586 HydrophobicContact CB-CZ2 4.35Å; Q472-W586 HydrophobicContact CG-CH2 3.6Å; Q472-W586 HydrophobicContact CG-CZ2 3.84Å; Q472-W586 HydrophobicContact CG-CZ3 4.11Å
473	L	88.4	Confident	76.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.3	173.2	43.6	129	0	0	0	109.7	I471 V475 F501 V534 V536 V578	I471-L473 HydrophobicContact CG2-CD2 3.92Å; L473-V475 HydrophobicContact CD1-CG2 4.26Å; L473-F501 HydrophobicContact CD2-CD2 4.47Å; L473-F501 HydrophobicContact CD2-CE2 3.6Å; L473-F501 HydrophobicContact CD2-CZ 3.94Å; L473-V534 HydrophobicContact CD1-CB 3.92Å; L473-V534 HydrophobicContact CD1-CG1 4.31Å; L473-V534 HydrophobicContact CG-CB 4.05Å; L473-V534 PolarHBondContact N-O 3.04Å; L473-V534 PolarHBondContact O-N 3.4Å; L473-V536 HydrophobicContact CD2-CG2 3.81Å; L473-V578 HydrophobicContact CB-CG1 4.14Å
474	L	87.9	Confident	78.1	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.8	175	179.1	73.1	0	0	0	109.3	A516 L533 V578 D579 R582	L474-A516 HydrophobicContact CD1-CB 3.52Å; L474-L533 HydrophobicContact CB-CD1 4.28Å; L474-L533 HydrophobicContact CD1-CD1 4.33Å; L474-V578 CarbonylContact O-C 3.54Å; L474-V578 WeakPolarHBondContact O-CA 3.26Å; L474-D579 HydrophobicContact CB-CB 4.28Å; L474-D579 HydrophobicContact CD2-CB 4.08Å; L474-D579 HydrophobicContact CG-CB 4.48Å; L474-D579 PolarHBondContact O-N 3.02Å; L474-R582 HydrophobicContact CB-CB 4.25Å; L474-R582 VanDerWaalsContact CD2-CD 3.49Å
475	V	89.7	Confident	79.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111	169.9	-177.8	0	0	0	0	107.7	L473 N477 Y478 F483 L493 G531 V532 V534 F576	L473-V475 HydrophobicContact CD1-CG2 4.26Å; V475-N477 WeakPolarHBondContact CG1-OD1 3.15Å; V475-Y478 HydrophobicContact CG1-CD2 4.26Å; V475-F483 HydrophobicContact CG1-CZ 4.23Å; V475-L493 HydrophobicContact CG2-CD1 4.14Å; V475-G531 CarbonylContact O-C 3.54Å; V475-G531 WeakPolarHBondContact O-CA 3.07Å; V475-V532 PolarHBondContact N-O 3.03Å; V475-V532 PolarHBondContact O-N 2.89Å; V475-V534 HydrophobicContact CG2-CG2 3.97Å; V475-F576 HydrophobicContact CG1-CB 4.23Å; V475-F576 HydrophobicContact CG1-CD1 4.07Å
476	A	86.2	Confident	81.2	Confident	43 Å²	43	33.8 Å²	33.8	36%	0.355	19%	0.185	S	C	.	.			trans	-86.3	-23.2	-167.9	0	0	0	0	0	114.1	K577	A476-K577 PolarHBondContact N-O 3.21Å
477	N	88.9	Confident	82.4	Confident	46 Å²	46	34.8 Å²	34.8	25%	0.246	18%	0.181	C	C	.	.	S	Bend	trans	-89.9	-7.3	-171.6	62.6	-37.7	0	0	0	115.3	V475 S529 R575 K577	V475-N477 WeakPolarHBondContact CG1-OD1 3.15Å; N477-S529 PolarHBondContact O-OG 3.38Å; N477-R575 PolarHBondContact ND2-O 3Å; N477-K577 HydrophobicContact CB-CB 4.15Å; N477-K577 PolarHBondContact OD1-N 3.15Å
478	Y	88.1	Confident	83.5	Confident	39 Å²	39	38.6 Å²	38.6	15%	0.153	20%	0.197	C	C	.	.			trans	-126.7	149.7	179.2	-67.3	-75.3	0	0	0	112.3	V475 Q482 F483 L489 G531 V532 R575 F576	V475-Y478 HydrophobicContact CG1-CD2 4.26Å; Y478-Q482 VanDerWaalsContact CA-OE1 3.31Å; Y478-Q482 HydrophobicContact CD1-CB 4.34Å; Y478-F483 HydrophobicContact CD2-CZ 4.19Å; Y478-F483 HydrophobicContact CG-CE2 4.42Å; Y478-F483 HydrophobicContact CG-CZ 4.23Å; Y478-L489 HydrophobicContact CD1-CD2 3.91Å; Y478-L489 HydrophobicContact CD2-CD2 4.44Å; Y478-L489 HydrophobicContact CE1-CD1 3.94Å; Y478-L489 HydrophobicContact CE1-CD2 4.09Å; Y478-L489 HydrophobicContact CE2-CD1 4.33Å; Y478-L489 HydrophobicContact CG-CD2 4.11Å; Y478-G531 CarbonylContact O-C 3.49Å; Y478-G531 VanDerWaalsContact O-CA 3.25Å; Y478-G531 WeakPolarHBondContact O-CA 3.3Å; Y478-V532 WeakPolarHBondContact O-CG2 3.2Å; Y478-R575 VanDerWaalsContact CE2-O 3.26Å; Y478-R575 WeakPolarHBondContact CE2-O 3.13Å; Y478-F576 AromaticContact CD2-CD1 3.86Å; Y478-F576 HydrophobicContact CD2-CD1 3.86Å; Y478-F576 HydrophobicContact CD2-CE1 4.11Å; Y478-F576 AromaticContact CE2-CD1 3.73Å; Y478-F576 HydrophobicContact CE2-CD1 3.73Å; Y478-F576 AromaticContact CE2-CE1 3.89Å; Y478-F576 HydrophobicContact CE2-CE1 3.89Å
479	D	84.1	Confident	84.2	Confident	38 Å²	38	35 Å²	35	20%	0.203	18%	0.178	C	C	.	.			trans	-93.4	159.4	169.9	-74.3	-24	0	0	0	111.5	W481 Q482 F483 S529 I530	D479-W481 VanDerWaalsContact C-N 3.29Å; D479-W481 HydrophobicContact CB-CG 4.45Å; D479-W481 PolarHBondContact O-N 3.07Å; D479-W481 PolarHBondContact OD2-NE1 3.06Å; D479-Q482 WeakPolarHBondContact O-CB 3.48Å; D479-Q482 PolarHBondContact O-N 2.88Å; D479-F483 WeakPolarHBondContact O-CD2 3.31Å; D479-S529 WeakPolarHBondContact OD1-CA 3.49Å; D479-I530 PolarHBondContact OD1-N 2.75Å
480	A	81.2	Confident	84.4	Confident	2 Å²	2	34.8 Å²	34.8	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-42.3	-176.1	0	0	0	0	0	112.5	T413 F424 Q482 F483 F484 V515 V532	T413-A480 HydrophobicContact CG2-CB 4.49Å; F424-A480 HydrophobicContact CZ-CB 4.45Å; A480-Q482 PolarHBondContact O-N 3.16Å; A480-F483 PolarHBondContact O-N 3.41Å; A480-F484 HydrophobicContact CB-CE2 4.23Å; A480-F484 WeakPolarHBondContact O-CD2 3.45Å; A480-F484 VanDerWaalsContact O-CE2 3.27Å; A480-F484 WeakPolarHBondContact O-CE2 3.18Å; A480-V515 HydrophobicContact CB-CG2 3.92Å; A480-V532 VanDerWaalsContact CA-CG2 3.47Å; A480-V532 HydrophobicContact CB-CG2 3.99Å
481	W	80.9	Confident	84.3	Confident	28 Å²	28	36.1 Å²	36.1	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-27.8	-179.3	68.2	-92.5	0	0	0	113.3	T413 S415 P416 Y422 D479 F484 A485	T413-W481 HydrophobicContact CG2-CB 3.85Å; S415-W481 WeakPolarHBondContact OG-CZ3 3.43Å; P416-W481 HydrophobicContact CG-CZ2 4.1Å; Y422-W481 HydrophobicContact CD2-CB 3.91Å; Y422-W481 HydrophobicContact CE2-CB 4.07Å; D479-W481 VanDerWaalsContact C-N 3.29Å; D479-W481 HydrophobicContact CB-CG 4.45Å; D479-W481 PolarHBondContact O-N 3.07Å; D479-W481 PolarHBondContact OD2-NE1 3.06Å; W481-F484 PolarHBondContact O-N 2.76Å; W481-A485 HydrophobicContact CE3-CB 4.25Å; W481-A485 HydrophobicContact CZ3-CB 4.46Å; W481-A485 WeakPolarHBondContact O-CB 3.28Å; W481-A485 PolarHBondContact O-N 2.8Å
482	Q	85.9	Confident	84.4	Confident	38 Å²	38	39.9 Å²	39.9	18%	0.178	20%	0.202	C	C	.	.	H	α-helix	trans	-70	-37.2	-179.3	-66.2	177.2	-61.8	0	0	111.9	Y478 D479 A480 F484 A485 M486 L489	Y478-Q482 VanDerWaalsContact CA-OE1 3.31Å; Y478-Q482 HydrophobicContact CD1-CB 4.34Å; D479-Q482 WeakPolarHBondContact O-CB 3.48Å; D479-Q482 PolarHBondContact O-N 2.88Å; A480-Q482 PolarHBondContact O-N 3.16Å; Q482-F484 PolarHBondContact O-N 2.85Å; Q482-A485 PolarHBondContact O-N 2.79Å; Q482-M486 PolarHBondContact O-N 3.12Å; Q482-L489 HydrophobicContact CB-CD2 4.46Å
483	F	83.9	Confident	84.5	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-26.4	173.6	-69.7	-76.9	0	0	0	112.8	V475 Y478 D479 A480 L489 L490 L493 V532 F576	V475-F483 HydrophobicContact CG1-CZ 4.23Å; Y478-F483 HydrophobicContact CD2-CZ 4.19Å; Y478-F483 HydrophobicContact CG-CE2 4.42Å; Y478-F483 HydrophobicContact CG-CZ 4.23Å; D479-F483 WeakPolarHBondContact O-CD2 3.31Å; A480-F483 PolarHBondContact O-N 3.41Å; F483-L489 HydrophobicContact CD1-CD2 3.57Å; F483-L489 HydrophobicContact CD1-CG 4.21Å; F483-L489 HydrophobicContact CE1-CD2 3.69Å; F483-L489 HydrophobicContact CE1-CG 4.24Å; F483-L489 HydrophobicContact CG-CD2 4.06Å; F483-L489 HydrophobicContact CZ-CD2 4.29Å; F483-L490 HydrophobicContact CB-CD1 4.29Å; F483-L490 HydrophobicContact CD1-CD1 4.42Å; F483-L493 HydrophobicContact CD1-CD2 4.1Å; F483-L493 HydrophobicContact CE1-CB 4.21Å; F483-L493 HydrophobicContact CE1-CD1 4.32Å; F483-L493 HydrophobicContact CE1-CD2 3.71Å; F483-L493 HydrophobicContact CE1-CG 4.3Å; F483-L493 HydrophobicContact CZ-CD2 4.31Å; F483-V532 HydrophobicContact CD2-CB 4.46Å; F483-V532 HydrophobicContact CD2-CG1 4.39Å; F483-V532 HydrophobicContact CD2-CG2 4.04Å; F483-V532 HydrophobicContact CE2-CB 3.93Å; F483-V532 HydrophobicContact CE2-CG1 4.17Å; F483-V532 HydrophobicContact CE2-CG2 3.8Å; F483-F576 HydrophobicContact CE1-CD1 4.49Å; F483-F576 AromaticContact CE1-CE1 3.85Å; F483-F576 HydrophobicContact CE1-CE1 3.85Å; F483-F576 HydrophobicContact CZ-CE1 4.3Å
484	F	78.1	Confident	84.5	Confident	34 Å²	34	41.7 Å²	41.7	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-92.3	-26.4	178.7	-55.6	-56.9	0	0	0	113.1	L380 T413 Y422 F424 A480 W481 Q482 I513	L380-F484 HydrophobicContact CD1-CB 4.02Å; L380-F484 HydrophobicContact CD1-CD1 3.87Å; L380-F484 HydrophobicContact CD1-CG 3.98Å; L380-F484 HydrophobicContact CD2-CB 3.83Å; T413-F484 HydrophobicContact CG2-CD2 4.21Å; T413-F484 HydrophobicContact CG2-CE2 4.41Å; Y422-F484 HydrophobicContact CD1-CB 4.46Å; Y422-F484 HydrophobicContact CD2-CB 4.41Å; Y422-F484 HydrophobicContact CG-CB 4.21Å; F424-F484 HydrophobicContact CB-CE1 4Å; F424-F484 HydrophobicContact CB-CE2 3.94Å; F424-F484 HydrophobicContact CB-CZ 3.55Å; F424-F484 HydrophobicContact CD1-CD2 4.3Å; F424-F484 AromaticContact CD1-CE2 3.58Å; F424-F484 HydrophobicContact CD1-CE2 3.58Å; F424-F484 HydrophobicContact CD1-CZ 4.03Å; F424-F484 AromaticContact CD2-CE2 3.91Å; F424-F484 HydrophobicContact CD2-CE2 3.91Å; F424-F484 AromaticContact CD2-CZ 3.64Å; F424-F484 HydrophobicContact CD2-CZ 3.64Å; F424-F484 HydrophobicContact CE1-CE2 4.03Å; F424-F484 HydrophobicContact CE2-CE2 4.32Å; F424-F484 HydrophobicContact CE2-CZ 4.34Å; F424-F484 HydrophobicContact CG-CD2 4.49Å; F424-F484 HydrophobicContact CG-CE1 4.38Å; F424-F484 AromaticContact CG-CE2 3.52Å; F424-F484 HydrophobicContact CG-CE2 3.52Å; F424-F484 AromaticContact CG-CZ 3.45Å; F424-F484 HydrophobicContact CG-CZ 3.45Å; F424-F484 VanDerWaalsContact CG-CZ 3.45Å; F424-F484 HydrophobicContact CZ-CE2 4.37Å; A480-F484 HydrophobicContact CB-CE2 4.23Å; A480-F484 WeakPolarHBondContact O-CD2 3.45Å; A480-F484 VanDerWaalsContact O-CE2 3.27Å; A480-F484 WeakPolarHBondContact O-CE2 3.18Å; W481-F484 PolarHBondContact O-N 2.76Å; Q482-F484 PolarHBondContact O-N 2.85Å; F484-I513 HydrophobicContact CZ-CG2 4.41Å
485	A	73.4	Confident	84.5	Confident	45 Å²	45	44.3 Å²	44.3	37%	0.372	23%	0.233	S	C	.	.	H	α-helix	trans	-77	-28.9	175	0	0	0	0	0	112.6	Y422 W481 Q482	Y422-A485 HydrophobicContact CE2-CB 4.47Å; W481-A485 HydrophobicContact CE3-CB 4.25Å; W481-A485 HydrophobicContact CZ3-CB 4.46Å; W481-A485 WeakPolarHBondContact O-CB 3.28Å; W481-A485 PolarHBondContact O-N 2.8Å; Q482-A485 PolarHBondContact O-N 2.79Å
486	M	81.6	Confident	84.5	Confident	101 Å²	101	44.7 Å²	44.7	50%	0.498	24%	0.237	S	C	.	.			trans	-120.8	97.8	-175.5	-62.6	174.8	-179.8	0	0	110.5	Q482 E488 L489	Q482-M486 PolarHBondContact O-N 3.12Å; M486-E488 PolarHBondContact O-N 2.69Å; M486-L489 HydrophobicContact CB-CB 3.85Å; M486-L489 VanDerWaalsContact O-CB 3.32Å; M486-L489 WeakPolarHBondContact O-CB 3.32Å; M486-L489 PolarHBondContact O-N 3.01Å
487	E	77.2	Confident	84.6	Confident	100 Å²	100	42.6 Å²	42.6	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-58.4	-36.3	-177.1	-156.4	-171.4	162.9	0	0	112.3	R375 L489 L490 K491	R375-E487 IonicContact NH1-OE1 3.09Å; R375-E487 PolarHBondContact NH1-OE1 3.25Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 PolarHBondContact O-N 3.05Å; E487-L490 PolarHBondContact O-N 3.34Å; E487-K491 PolarHBondContact O-N 3.28Å; E487-K491 IonicContact OE1-NZ 3.84Å
488	E	83.8	Confident	84.5	Confident	90 Å²	90	43 Å²	43	42%	0.421	22%	0.224	S	C	.	.	H	α-helix	trans	-58.2	-41	174.9	-132.4	72.6	-148.4	0	0	112.5	M486 L490 K491 Q492	M486-E488 PolarHBondContact O-N 2.69Å; E488-L490 VanDerWaalsContact C-N 3.33Å; E488-L490 PolarHBondContact O-N 3.09Å; E488-K491 PolarHBondContact O-N 3.18Å; E488-Q492 WeakPolarHBondContact O-CG 3.49Å; E488-Q492 PolarHBondContact O-N 3.28Å
489	L	86.3	Confident	84.5	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-40.2	-176	-159	91.2	0	0	0	110.9	Y478 Q482 F483 M486 E487 L493 F576	Y478-L489 HydrophobicContact CD1-CD2 3.91Å; Y478-L489 HydrophobicContact CD2-CD2 4.44Å; Y478-L489 HydrophobicContact CE1-CD1 3.94Å; Y478-L489 HydrophobicContact CE1-CD2 4.09Å; Y478-L489 HydrophobicContact CE2-CD1 4.33Å; Y478-L489 HydrophobicContact CG-CD2 4.11Å; Q482-L489 HydrophobicContact CB-CD2 4.46Å; F483-L489 HydrophobicContact CD1-CD2 3.57Å; F483-L489 HydrophobicContact CD1-CG 4.21Å; F483-L489 HydrophobicContact CE1-CD2 3.69Å; F483-L489 HydrophobicContact CE1-CG 4.24Å; F483-L489 HydrophobicContact CG-CD2 4.06Å; F483-L489 HydrophobicContact CZ-CD2 4.29Å; M486-L489 HydrophobicContact CB-CB 3.85Å; M486-L489 VanDerWaalsContact O-CB 3.32Å; M486-L489 WeakPolarHBondContact O-CB 3.32Å; M486-L489 PolarHBondContact O-N 3.01Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 PolarHBondContact O-N 3.05Å; L489-L493 WeakPolarHBondContact O-CB 3.08Å; L489-L493 PolarHBondContact O-N 3.32Å; L489-F576 HydrophobicContact CG-CE1 4.26Å
490	L	85	Confident	84.6	Confident	32 Å²	32	45.9 Å²	45.9	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-40.1	177.6	-170.3	70.2	0	0	0	111.6	F483 E487 E488 L493 Q494 I513	F483-L490 HydrophobicContact CB-CD1 4.29Å; F483-L490 HydrophobicContact CD1-CD1 4.42Å; E487-L490 PolarHBondContact O-N 3.34Å; E488-L490 VanDerWaalsContact C-N 3.33Å; E488-L490 PolarHBondContact O-N 3.09Å; L490-L493 PolarHBondContact O-N 2.69Å; L490-Q494 WeakPolarHBondContact O-CB 3.2Å; L490-Q494 PolarHBondContact O-N 2.79Å; L490-I513 HydrophobicContact CD1-CD1 3.55Å
491	K	84	Confident	84.9	Confident	85 Å²	85	45.8 Å²	45.8	37%	0.37	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-44	174.8	-74.1	177	-172.9	160.6	0	111.8	E487 E488 Q494 A495	E487-K491 PolarHBondContact O-N 3.28Å; E487-K491 IonicContact OE1-NZ 3.84Å; E488-K491 PolarHBondContact O-N 3.18Å; K491-Q494 PolarHBondContact O-N 2.99Å; K491-A495 PolarHBondContact O-N 3.18Å
492	Q	89.4	Confident	85	Confident	79 Å²	79	46.7 Å²	46.7	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-44.8	176.6	-74	176.7	-2	0	0	111.6	E488 Q494 A495 A496 F576	E488-Q492 WeakPolarHBondContact O-CG 3.49Å; E488-Q492 PolarHBondContact O-N 3.28Å; Q492-Q494 VanDerWaalsContact C-N 3.3Å; Q492-Q494 PolarHBondContact O-N 3.46Å; Q492-A495 PolarHBondContact O-N 3.17Å; Q492-A496 PolarHBondContact O-N 3.2Å; Q492-F576 HydrophobicContact CB-CE2 4.18Å; Q492-F576 HydrophobicContact CB-CZ 4.1Å
493	L	90.5	Very high	84.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-43.2	174.8	-176.5	77	0	0	0	111.1	V475 F483 L489 L490 A496 V497 I510 V534 F576	V475-L493 HydrophobicContact CG2-CD1 4.14Å; F483-L493 HydrophobicContact CD1-CD2 4.1Å; F483-L493 HydrophobicContact CE1-CB 4.21Å; F483-L493 HydrophobicContact CE1-CD1 4.32Å; F483-L493 HydrophobicContact CE1-CD2 3.71Å; F483-L493 HydrophobicContact CE1-CG 4.3Å; F483-L493 HydrophobicContact CZ-CD2 4.31Å; L489-L493 WeakPolarHBondContact O-CB 3.08Å; L489-L493 PolarHBondContact O-N 3.32Å; L490-L493 PolarHBondContact O-N 2.69Å; L493-A496 PolarHBondContact O-N 3.46Å; L493-V497 WeakPolarHBondContact O-CB 3.49Å; L493-V497 VanDerWaalsContact O-CG2 3.26Å; L493-V497 WeakPolarHBondContact O-CG2 3.22Å; L493-V497 PolarHBondContact O-N 3.5Å; L493-I510 HydrophobicContact CD2-CD1 3.74Å; L493-I510 HydrophobicContact CG-CD1 4.07Å; L493-V534 HydrophobicContact CD2-CG1 4.29Å; L493-V534 HydrophobicContact CD2-CG2 3.98Å; L493-F576 HydrophobicContact CB-CE1 4.23Å; L493-F576 HydrophobicContact CB-CE2 4.23Å; L493-F576 HydrophobicContact CB-CZ 3.8Å; L493-F576 HydrophobicContact CD1-CD1 4.05Å; L493-F576 HydrophobicContact CD1-CD2 4.33Å; L493-F576 HydrophobicContact CD1-CE1 4.07Å; L493-F576 HydrophobicContact CD1-CE2 4.33Å; L493-F576 HydrophobicContact CD1-CG 4.19Å; L493-F576 HydrophobicContact CD1-CZ 4.2Å
494	Q	88.4	Confident	84.2	Confident	59 Å²	59	55.5 Å²	55.5	28%	0.276	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-39.8	-179.8	-167.2	167.4	-7.3	0	0	111.9	L490 K491 Q492 V497 V498 I510	L490-Q494 WeakPolarHBondContact O-CB 3.2Å; L490-Q494 PolarHBondContact O-N 2.79Å; K491-Q494 PolarHBondContact O-N 2.99Å; Q492-Q494 VanDerWaalsContact C-N 3.3Å; Q492-Q494 PolarHBondContact O-N 3.46Å; Q494-V497 PolarHBondContact O-N 2.93Å; Q494-V498 VanDerWaalsContact O-CG2 3.31Å; Q494-V498 WeakPolarHBondContact O-CG2 3.3Å; Q494-V498 PolarHBondContact O-N 2.92Å; Q494-I510 HydrophobicContact CB-CD1 4Å; Q494-I510 HydrophobicContact CG-CD1 4.34Å
495	A	87.4	Confident	83.9	Confident	61 Å²	61	57.7 Å²	57.7	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-47.9	174.1	0	0	0	0	0	111.9	K491 Q492 V497 V498 E499	K491-A495 PolarHBondContact O-N 3.18Å; Q492-A495 PolarHBondContact O-N 3.17Å; A495-V497 VanDerWaalsContact C-N 3.28Å; A495-V497 PolarHBondContact O-N 2.82Å; A495-V498 PolarHBondContact O-N 3.31Å; A495-V498 VanDerWaalsContact O-N 3.14Å; A495-E499 PolarHBondContact O-N 3.33Å
496	A	89.6	Confident	83.6	Confident	8 Å²	8	57.7 Å²	57.7	7%	0.066	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-37.8	177.2	0	0	0	0	0	112.2	Q492 L493 E499 A500 I571 F572	Q492-A496 PolarHBondContact O-N 3.2Å; L493-A496 PolarHBondContact O-N 3.46Å; A496-E499 PolarHBondContact O-N 2.61Å; A496-A500 WeakPolarHBondContact O-CB 3.3Å; A496-A500 PolarHBondContact O-N 3.23Å; A496-I571 HydrophobicContact CB-CG2 4.29Å; A496-F572 HydrophobicContact CB-CD1 3.88Å; A496-F572 HydrophobicContact CB-CE1 3.74Å; A496-F572 HydrophobicContact CB-CZ 4.47Å
497	V	88.8	Confident	83.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-41.2	175.5	163.3	0	0	0	0	112.2	L493 Q494 A495 F501 I510 V536 F572	L493-V497 WeakPolarHBondContact O-CB 3.49Å; L493-V497 VanDerWaalsContact O-CG2 3.26Å; L493-V497 WeakPolarHBondContact O-CG2 3.22Å; L493-V497 PolarHBondContact O-N 3.5Å; Q494-V497 PolarHBondContact O-N 2.93Å; A495-V497 VanDerWaalsContact C-N 3.28Å; A495-V497 PolarHBondContact O-N 2.82Å; V497-F501 HydrophobicContact CG1-CD2 4.26Å; V497-F501 WeakPolarHBondContact O-CB 3.3Å; V497-F501 WeakPolarHBondContact O-CD2 3.43Å; V497-F501 PolarHBondContact O-N 2.94Å; V497-I510 HydrophobicContact CG1-CG1 4.46Å; V497-I510 HydrophobicContact CG2-CG1 4.41Å; V497-V536 HydrophobicContact CB-CG2 4.42Å; V497-V536 HydrophobicContact CG1-CB 4.08Å; V497-V536 HydrophobicContact CG1-CG1 3.38Å; V497-V536 HydrophobicContact CG1-CG2 3.49Å; V497-V536 VanDerWaalsContact CG1-CG2 3.49Å; V497-V536 HydrophobicContact CG2-CG2 3.98Å; V497-F572 HydrophobicContact CG2-CE1 4.39Å
498	V	86.7	Confident	83.1	Confident	54 Å²	54	50.4 Å²	50.4	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-42.9	177.9	170.3	0	0	0	0	110.8	Q494 A495 S508	Q494-V498 VanDerWaalsContact O-CG2 3.31Å; Q494-V498 WeakPolarHBondContact O-CG2 3.3Å; Q494-V498 PolarHBondContact O-N 2.92Å; A495-V498 PolarHBondContact O-N 3.31Å; A495-V498 VanDerWaalsContact O-N 3.14Å; V498-S508 VanDerWaalsContact CG2-O 3.29Å; V498-S508 WeakPolarHBondContact CG2-O 3.49Å
499	E	88.1	Confident	82.9	Confident	133 Å²	133	49 Å²	49	62%	0.621	27%	0.267	S	S	*	.	H	α-helix	trans	-67.9	-46.6	179.3	-173	179.2	173.3	0	0	112.2	A495 A496 I571	A495-E499 PolarHBondContact O-N 3.33Å; A496-E499 PolarHBondContact O-N 2.61Å; E499-I571 HydrophobicContact CB-CG2 4.08Å; E499-I571 HydrophobicContact CG-CD1 4.37Å; E499-I571 HydrophobicContact CG-CG2 4.07Å
500	A	87.1	Confident	82.6	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-41.2	180	0	0	0	0	0	112.1	A496 P502 W568 I571 F572	A496-A500 WeakPolarHBondContact O-CB 3.3Å; A496-A500 PolarHBondContact O-N 3.23Å; A500-P502 WeakPolarHBondContact O-CD 3.33Å; A500-W568 HydrophobicContact CB-CE3 4.13Å; A500-W568 HydrophobicContact CB-CZ3 4.45Å; A500-W568 WeakPolarHBondContact O-CH2 3.43Å; A500-W568 WeakPolarHBondContact O-CZ3 3.39Å; A500-I571 HydrophobicContact CB-CD1 3.99Å; A500-I571 HydrophobicContact CB-CG2 4.41Å; A500-F572 HydrophobicContact CB-CE2 3.58Å; A500-F572 HydrophobicContact CB-CZ 3.74Å
501	F	87.8	Confident	82.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-118.1	63.1	-172	-51.1	-71.4	0	0	0	113	I471 L473 V497 S503 S508 F542 V546 W568 F572 W580 F583	I471-F501 HydrophobicContact CD1-CB 4.19Å; I471-F501 HydrophobicContact CD1-CD1 3.45Å; I471-F501 VanDerWaalsContact CD1-CD1 3.45Å; I471-F501 HydrophobicContact CD1-CE1 4Å; I471-F501 HydrophobicContact CD1-CG 3.86Å; I471-F501 HydrophobicContact CG2-CE1 4.43Å; I471-F501 HydrophobicContact CG2-CZ 4.5Å; L473-F501 HydrophobicContact CD2-CD2 4.47Å; L473-F501 HydrophobicContact CD2-CE2 3.6Å; L473-F501 HydrophobicContact CD2-CZ 3.94Å; V497-F501 HydrophobicContact CG1-CD2 4.26Å; V497-F501 WeakPolarHBondContact O-CB 3.3Å; V497-F501 WeakPolarHBondContact O-CD2 3.43Å; V497-F501 PolarHBondContact O-N 2.94Å; F501-S503 PolarHBondContact O-N 3.01Å; F501-S508 WeakPolarHBondContact O-CB 3.23Å; F501-S508 PolarHBondContact O-OG 2.83Å; F501-F542 HydrophobicContact CB-CD1 4.13Å; F501-F542 HydrophobicContact CB-CE1 3.77Å; F501-V546 HydrophobicContact CD1-CG1 3.93Å; F501-V546 HydrophobicContact CD1-CG2 4.32Å; F501-W568 HydrophobicContact CD1-CE3 4.3Å; F501-W568 HydrophobicContact CD1-CH2 4.42Å; F501-W568 AromaticContact CD1-CZ3 3.5Å; F501-W568 HydrophobicContact CD1-CZ3 3.5Å; F501-W568 AromaticContact CE1-CE3 3.84Å; F501-W568 HydrophobicContact CE1-CE3 3.84Å; F501-W568 AromaticContact CE1-CZ3 3.43Å; F501-W568 HydrophobicContact CE1-CZ3 3.43Å; F501-W568 VanDerWaalsContact CE1-CZ3 3.43Å; F501-W568 HydrophobicContact CG-CZ3 4.46Å; F501-W568 HydrophobicContact CZ-CE3 4.4Å; F501-W568 HydrophobicContact CZ-CZ3 4.37Å; F501-F572 HydrophobicContact CE2-CE2 4.28Å; F501-F572 AromaticContact CE2-CZ 3.82Å; F501-F572 HydrophobicContact CE2-CZ 3.82Å; F501-F572 HydrophobicContact CZ-CE2 4.48Å; F501-F572 HydrophobicContact CZ-CZ 4.44Å; F501-W580 HydrophobicContact CZ-CH2 4.48Å; F501-W580 HydrophobicContact CZ-CZ3 4.42Å; F501-F583 AromaticContact CE1-CE2 3.66Å; F501-F583 HydrophobicContact CE1-CE2 3.66Å; F501-F583 HydrophobicContact CE1-CZ 4.16Å; F501-F583 AromaticContact CZ-CE2 3.9Å; F501-F583 HydrophobicContact CZ-CE2 3.9Å
502	P	81.9	Confident	81.8	Confident	47 Å²	47	51.4 Å²	51.4	31%	0.305	27%	0.274	S	S	.	.			trans	-66.9	136.6	-177.4	24.7	-30.6	0	0	0	111.3	A500 T543	A500-P502 WeakPolarHBondContact O-CD 3.33Å; P502-T543 HydrophobicContact CB-CG2 4.46Å; P502-T543 HydrophobicContact CG-CG2 4.38Å; P502-T543 VanDerWaalsContact O-CG2 3.31Å; P502-T543 WeakPolarHBondContact O-CG2 3.35Å; P502-T543 PolarHBondContact O-N 2.82Å; P502-T543 PolarHBondContact O-OG1 3.37Å
503	S	81.3	Confident	81.3	Confident	7 Å²	7	48.7 Å²	48.7	5%	0.049	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-85.3	165.9	166.4	87.1	0	0	0	0	110.3	F501 T505 G506 S507 R541	F501-S503 PolarHBondContact O-N 3.01Å; S503-T505 PolarHBondContact O-N 2.89Å; S503-T505 VanDerWaalsContact O-N 3.11Å; S503-T505 PolarHBondContact OG-N 3.19Å; S503-T505 VanDerWaalsContact OG-N 3.08Å; S503-T505 PolarHBondContact OG-OG1 3.12Å; S503-G506 PolarHBondContact O-N 2.84Å; S503-G506 PolarHBondContact OG-N 2.91Å; S503-S507 PolarHBondContact OG-N 3.48Å; S503-S507 VanDerWaalsContact OG-N 3.09Å; S503-R541 WeakPolarHBondContact CA-O 3.31Å; S503-R541 WeakPolarHBondContact CB-O 3.09Å
504	R	72.1	Confident	80.7	Confident	217 Å²	217	51 Å²	51	82%	0.819	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.8	171.2	-98	-174	172.1	-173.9	-2.8	114	R541	R504-R541 PolarHBondContact N-O 3.02Å
505	T	72.6	Confident	80.1	Confident	80 Å²	80	50.8 Å²	50.8	49%	0.491	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.8	179.9	53.8	0	0	0	0	113.3	S503 S507	S503-T505 PolarHBondContact O-N 2.89Å; S503-T505 VanDerWaalsContact O-N 3.11Å; S503-T505 PolarHBondContact OG-N 3.19Å; S503-T505 VanDerWaalsContact OG-N 3.08Å; S503-T505 PolarHBondContact OG-OG1 3.12Å; T505-S507 PolarHBondContact O-OG 2.87Å
506	G	66.8	Low	79.2	Confident	46 Å²	46	48.3 Å²	48.3	47%	0.474	26%	0.255	S	S	.	.	S	Bend	trans	77.4	18.6	-179.4	0	0	0	0	0	115.4	S503	S503-G506 PolarHBondContact O-N 2.84Å; S503-G506 PolarHBondContact OG-N 2.91Å
507	S	70.1	Confident	77.8	Confident	46 Å²	46	55.2 Å²	55.2	32%	0.322	29%	0.291	S	S	.	.			trans	-128.5	63.1	-169.1	-37.7	0	0	0	0	113	S503 T505 L539	S503-S507 PolarHBondContact OG-N 3.48Å; S503-S507 VanDerWaalsContact OG-N 3.09Å; T505-S507 PolarHBondContact O-OG 2.87Å; S507-L539 PolarHBondContact O-N 3.16Å
508	S	78.1	Confident	75.9	Confident	2 Å²	2	59 Å²	59	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.5	168.7	25.5	0	0	0	0	110.7	V498 F501	V498-S508 VanDerWaalsContact CG2-O 3.29Å; V498-S508 WeakPolarHBondContact CG2-O 3.49Å; F501-S508 WeakPolarHBondContact O-CB 3.23Å; F501-S508 PolarHBondContact O-OG 2.83Å
509	T	79.7	Confident	73.4	Confident	59 Å²	59	61.3 Å²	61.3	36%	0.362	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.2	-178.1	57.2	0	0	0	0	111.5	Y511 V536 A537	T509-Y511 PolarHBondContact O-N 3.34Å; T509-V536 WeakPolarHBondContact O-CA 3.38Å; T509-A537 PolarHBondContact N-O 3.03Å; T509-A537 PolarHBondContact O-N 2.99Å
510	I	80.1	Confident	70.7	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.179	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	114	173	-61.6	172	0	0	0	107.5	L493 Q494 V497 I513 V534	L493-I510 HydrophobicContact CD2-CD1 3.74Å; L493-I510 HydrophobicContact CG-CD1 4.07Å; Q494-I510 HydrophobicContact CB-CD1 4Å; Q494-I510 HydrophobicContact CG-CD1 4.34Å; V497-I510 HydrophobicContact CG1-CG1 4.46Å; V497-I510 HydrophobicContact CG2-CG1 4.41Å; I510-I513 HydrophobicContact CG2-CD1 4.15Å; I510-I513 HydrophobicContact CG2-CG1 3.74Å; I510-V534 HydrophobicContact CG1-CG1 4.31Å; I510-V534 HydrophobicContact CG2-CG1 3.98Å
511	Y	75	Confident	68	Low	85 Å²	85	63.6 Å²	63.6	33%	0.333	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-38.6	-179.3	-179.8	-98	0	0	0	112.2	N426 R470 T509 T535 A537	N426-Y511 PolarHBondContact ND2-O 3.29Å; R470-Y511 VanDerWaalsContact CZ-CE1 3.47Å; R470-Y511 VanDerWaalsContact CZ-CZ 3.46Å; R470-Y511 VanDerWaalsContact NH2-CZ 3.25Å; R470-Y511 PolarHBondContact NH2-OH 2.97Å; R470-Y511 VanDerWaalsContact NH2-OH 3.14Å; T509-Y511 PolarHBondContact O-N 3.34Å; Y511-T535 WeakPolarHBondContact CA-O 3.44Å; Y511-T535 HydrophobicContact CD1-CG2 4.3Å; Y511-T535 PolarHBondContact N-O 2.97Å; Y511-A537 HydrophobicContact CD2-CB 4.24Å; Y511-A537 HydrophobicContact CG-CB 4.24Å
512	R	75.6	Confident	65.2	Low	58 Å²	58	72.5 Å²	72.5	22%	0.219	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	143.6	-178.2	-161.8	-179.9	-173	171.6	3.5	111.1	S408 Q514 T535	S408-R512 PolarHBondContact O-NH2 3.19Å; R512-Q514 HydrophobicContact CG-CG 3.94Å; R512-T535 PolarHBondContact N-O 3.1Å; R512-T535 VanDerWaalsContact N-O 3.13Å; R512-T535 PolarHBondContact O-N 2.97Å
513	I	80.4	Confident	62.8	Low	22 Å²	22	73.5 Å²	73.5	11%	0.113	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127	170.5	-59.7	-176.7	0	0	0	106.8	F424 F484 L490 I510 V532	F424-I513 WeakPolarHBondContact CE2-O 3.27Å; F484-I513 HydrophobicContact CZ-CG2 4.41Å; L490-I513 HydrophobicContact CD1-CD1 3.55Å; I510-I513 HydrophobicContact CG2-CD1 4.15Å; I510-I513 HydrophobicContact CG2-CG1 3.74Å; I513-V532 HydrophobicContact CG2-CG1 3.25Å
514	Q	76.8	Confident	60.7	Low	48 Å²	48	84.2 Å²	84.2	22%	0.224	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.4	179	-65.9	-172.4	-74.2	0	0	111	R512 L533	R512-Q514 HydrophobicContact CG-CG 3.94Å; Q514-L533 HydrophobicContact CB-CB 4.38Å; Q514-L533 PolarHBondContact N-O 2.79Å; Q514-L533 PolarHBondContact O-N 2.97Å
515	V	75.6	Confident	58.8	Low	55 Å²	55	79.9 Å²	79.9	33%	0.333	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.3	169.9	-172	0	0	0	0	108.7	F424 A480 N517 I530	F424-V515 HydrophobicContact CZ-CG2 4.31Å; A480-V515 HydrophobicContact CB-CG2 3.92Å; V515-N517 PolarHBondContact O-N 3.23Å; V515-I530 HydrophobicContact CG1-CG2 4.48Å
516	A	70	Confident	56.9	Low	8 Å²	8	85 Å²	85	7%	0.066	47%	0.468	C	S	.	.			trans	-70.1	104.7	176	0	0	0	0	0	109.9	L474 L518 I530 G531	L474-A516 HydrophobicContact CD1-CB 3.52Å; A516-L518 VanDerWaalsContact C-N 3.27Å; A516-L518 HydrophobicContact CB-CD1 4.48Å; A516-L518 PolarHBondContact O-N 2.92Å; A516-I530 HydrophobicContact CB-CG2 4.38Å; A516-I530 WeakPolarHBondContact O-CG2 3.46Å; A516-G531 VanDerWaalsContact CB-O 3.29Å; A516-G531 WeakPolarHBondContact CB-O 3.23Å; A516-G531 PolarHBondContact N-O 2.75Å
517	N	58.7	Low	56	Low	153 Å²	153	87 Å²	87	82%	0.818	49%	0.488	S	S	*	.			trans	-75.3	82	173.2	-106.4	-13.5	0	0	0	109.8	V515 T519	V515-N517 PolarHBondContact O-N 3.23Å; N517-T519 PolarHBondContact O-N 3.08Å
518	L	49.4	Very low	55.4	Low	81 Å²	81	92.2 Å²	92.2	42%	0.424	51%	0.513	S	S	.	.			trans	-75	102.4	170.3	-82.5	143.7	0	0	0	108.8	A516 S520 I530	A516-L518 VanDerWaalsContact C-N 3.27Å; A516-L518 HydrophobicContact CB-CD1 4.48Å; A516-L518 PolarHBondContact O-N 2.92Å; L518-S520 PolarHBondContact O-N 3.25Å; L518-I530 HydrophobicContact CD1-CG2 4.2Å; L518-I530 WeakPolarHBondContact CD1-O 3.23Å
519	T	35.5	Very low	54.8	Low	102 Å²	102	94.2 Å²	94.2	63%	0.626	53%	0.527	S	S	*	.			trans	-66.9	95	172.2	58.6	0	0	0	0	109.8	N517 W624	N517-T519 PolarHBondContact O-N 3.08Å; T519-W624 HydrophobicContact CG2-CH2 4.01Å; T519-W624 WeakPolarHBondContact OG1-CH2 3.28Å; T519-W624 WeakPolarHBondContact OG1-CZ2 3.36Å
520	S	30.9	Very low	54.5	Low	93 Å²	93	95.2 Å²	95.2	65%	0.65	53%	0.529	S	S	*	.	S	Bend	trans	-172.6	135.7	144.5	54.6	0	0	0	0	108.7	L518 K522	L518-S520 PolarHBondContact O-N 3.25Å; S520-K522 PolarHBondContact O-N 2.77Å
521	G	30.3	Very low	54.6	Low	91 Å²	91	93.6 Å²	93.6	94%	0.938	52%	0.521	S	S	*	.			trans	-67.5	47.4	-176.3	0	0	0	0	0	115.3	A523	G521-A523 PolarHBondContact O-N 3.24Å
522	K	28.9	Very low	55.2	Low	187 Å²	187	89.6 Å²	89.6	81%	0.813	51%	0.505	S	S	*	.			trans	-89.3	101.1	161	-73.6	-171.1	177.3	-178.1	0	107.6	S520	S520-K522 PolarHBondContact O-N 2.77Å
523	A	31.1	Very low	55.8	Low	69 Å²	69	88.5 Å²	88.5	57%	0.57	50%	0.504	S	S	*	.			trans	-40.5	149.5	167.4	0	0	0	0	0	111.4	G521 I525	G521-A523 PolarHBondContact O-N 3.24Å; A523-I525 VanDerWaalsContact C-N 3.31Å; A523-I525 HydrophobicContact CB-CD1 4.42Å; A523-I525 HydrophobicContact CB-CG1 4.32Å; A523-I525 WeakPolarHBondContact O-CG1 3.41Å; A523-I525 PolarHBondContact O-N 3.48Å
524	R	37.4	Very low	56.1	Low	232 Å²	232	87.5 Å²	87.5	88%	0.875	50%	0.498	S	S	*	.			trans	-40.8	94.9	162.2	-73.9	175.2	172.1	176.7	-4.3	109.6
525	I	31.5	Very low	56.5	Low	125 Å²	125	85.4 Å²	85.4	64%	0.641	49%	0.489	S	S	*	.			trans	-126.4	99.7	175.9	-67.3	171.8	0	0	0	104.2	A523	A523-I525 VanDerWaalsContact C-N 3.31Å; A523-I525 HydrophobicContact CB-CD1 4.42Å; A523-I525 HydrophobicContact CB-CG1 4.32Å; A523-I525 WeakPolarHBondContact O-CG1 3.41Å; A523-I525 PolarHBondContact O-N 3.48Å
526	F	33.9	Very low	57.1	Low	188 Å²	188	82.8 Å²	82.8	83%	0.825	47%	0.473	S	S	*	.	S	Bend	trans	62.1	100.9	172.3	-61.1	-78.3	0	0	0	118.2	N528	F526-N528 PolarHBondContact O-N 2.86Å
527	G	46.9	Very low	57.7	Low	88 Å²	88	82.8 Å²	82.8	91%	0.907	47%	0.473	S	S	*	.	S	Bend	trans	68.6	-13	142	0	0	0	0	0	120
528	N	57.1	Low	58.8	Low	156 Å²	156	75.8 Å²	75.8	83%	0.834	44%	0.436	S	S	*	.			trans	-90.8	127.2	-175.8	-72.2	-17.9	0	0	0	112	F526	F526-N528 PolarHBondContact O-N 2.86Å
529	S	66.2	Low	60	Low	44 Å²	44	74.7 Å²	74.7	31%	0.308	43%	0.43	S	S	.	.			trans	-60.5	140.6	175.8	-33.9	0	0	0	0	110.9	N477 D479 G531	N477-S529 PolarHBondContact O-OG 3.38Å; D479-S529 WeakPolarHBondContact OD1-CA 3.49Å; S529-G531 PolarHBondContact O-N 2.78Å
530	I	72.9	Confident	62	Low	80 Å²	80	74 Å²	74	41%	0.41	42%	0.423	S	S	.	.			trans	-72.3	-27.1	179.2	-60	171.6	0	0	0	110.2	D479 V515 A516 L518	D479-I530 PolarHBondContact OD1-N 2.75Å; V515-I530 HydrophobicContact CG1-CG2 4.48Å; A516-I530 HydrophobicContact CB-CG2 4.38Å; A516-I530 WeakPolarHBondContact O-CG2 3.46Å; L518-I530 HydrophobicContact CD1-CG2 4.2Å; L518-I530 WeakPolarHBondContact CD1-O 3.23Å
531	G	83.3	Confident	64.3	Low	1 Å²	1	78.1 Å²	78.1	1%	0.01	42%	0.424	C	S	.	.			trans	89	162.1	-175.7	0	0	0	0	0	112.8	V475 Y478 A516 S529	V475-G531 CarbonylContact O-C 3.54Å; V475-G531 WeakPolarHBondContact O-CA 3.07Å; Y478-G531 CarbonylContact O-C 3.49Å; Y478-G531 VanDerWaalsContact O-CA 3.25Å; Y478-G531 WeakPolarHBondContact O-CA 3.3Å; A516-G531 VanDerWaalsContact CB-O 3.29Å; A516-G531 WeakPolarHBondContact CB-O 3.23Å; A516-G531 PolarHBondContact N-O 2.75Å; S529-G531 PolarHBondContact O-N 2.78Å
532	V	87	Confident	66.9	Low	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.9	-174.4	172.5	0	0	0	0	109.8	V475 Y478 A480 F483 I513 V534	V475-V532 PolarHBondContact N-O 3.03Å; V475-V532 PolarHBondContact O-N 2.89Å; Y478-V532 WeakPolarHBondContact O-CG2 3.2Å; A480-V532 VanDerWaalsContact CA-CG2 3.47Å; A480-V532 HydrophobicContact CB-CG2 3.99Å; F483-V532 HydrophobicContact CD2-CB 4.46Å; F483-V532 HydrophobicContact CD2-CG1 4.39Å; F483-V532 HydrophobicContact CD2-CG2 4.04Å; F483-V532 HydrophobicContact CE2-CB 3.93Å; F483-V532 HydrophobicContact CE2-CG1 4.17Å; F483-V532 HydrophobicContact CE2-CG2 3.8Å; I513-V532 HydrophobicContact CG2-CG1 3.25Å; V532-V534 HydrophobicContact CG1-CG2 4.03Å
533	L	87	Confident	69.6	Low	36 Å²	36	67 Å²	67	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.1	174.4	-160.9	75.9	0	0	0	108.8	Q472 L474 Q514	Q472-L533 VanDerWaalsContact CD-CD2 3.48Å; Q472-L533 HydrophobicContact CG-CG 4.44Å; L474-L533 HydrophobicContact CB-CD1 4.28Å; L474-L533 HydrophobicContact CD1-CD1 4.33Å; Q514-L533 HydrophobicContact CB-CB 4.38Å; Q514-L533 PolarHBondContact N-O 2.79Å; Q514-L533 PolarHBondContact O-N 2.97Å
534	V	87.8	Confident	72.1	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.7	179.9	-177.1	0	0	0	0	108.1	Q472 L473 V475 L493 I510 V532 V536	Q472-V534 WeakPolarHBondContact CA-O 3.49Å; L473-V534 HydrophobicContact CD1-CB 3.92Å; L473-V534 HydrophobicContact CD1-CG1 4.31Å; L473-V534 HydrophobicContact CG-CB 4.05Å; L473-V534 PolarHBondContact N-O 3.04Å; L473-V534 PolarHBondContact O-N 3.4Å; V475-V534 HydrophobicContact CG2-CG2 3.97Å; L493-V534 HydrophobicContact CD2-CG1 4.29Å; L493-V534 HydrophobicContact CD2-CG2 3.98Å; I510-V534 HydrophobicContact CG1-CG1 4.31Å; I510-V534 HydrophobicContact CG2-CG1 3.98Å; V532-V534 HydrophobicContact CG1-CG2 4.03Å; V534-V536 HydrophobicContact CG1-CG2 4.22Å
535	T	85.8	Confident	74.3	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.8	175.4	-43.9	0	0	0	0	108.6	R470 I471 Q472 Y511 R512 W586	R470-T535 HydrophobicContact CB-CG2 4.35Å; I471-T535 CarbonylContact O-C 3.5Å; I471-T535 WeakPolarHBondContact O-CA 3.45Å; Q472-T535 HydrophobicContact CG-CG2 3.93Å; Q472-T535 PolarHBondContact NE2-OG1 3.39Å; Y511-T535 WeakPolarHBondContact CA-O 3.44Å; Y511-T535 HydrophobicContact CD1-CG2 4.3Å; Y511-T535 PolarHBondContact N-O 2.97Å; R512-T535 PolarHBondContact N-O 3.1Å; R512-T535 VanDerWaalsContact N-O 3.13Å; R512-T535 PolarHBondContact O-N 2.97Å; T535-W586 HydrophobicContact CG2-CZ3 4.37Å
536	V	86.9	Confident	76.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.6	-178.3	-179.1	0	0	0	0	109	R470 I471 L473 V497 T509 V534 F542	R470-V536 WeakPolarHBondContact CA-O 3.4Å; I471-V536 HydrophobicContact CB-CB 4.38Å; I471-V536 PolarHBondContact N-O 3.26Å; I471-V536 PolarHBondContact O-N 3.43Å; L473-V536 HydrophobicContact CD2-CG2 3.81Å; V497-V536 HydrophobicContact CB-CG2 4.42Å; V497-V536 HydrophobicContact CG1-CB 4.08Å; V497-V536 HydrophobicContact CG1-CG1 3.38Å; V497-V536 HydrophobicContact CG1-CG2 3.49Å; V497-V536 VanDerWaalsContact CG1-CG2 3.49Å; V497-V536 HydrophobicContact CG2-CG2 3.98Å; T509-V536 WeakPolarHBondContact O-CA 3.38Å; V534-V536 HydrophobicContact CG1-CG2 4.22Å; V536-F542 HydrophobicContact CG1-CE1 4.35Å; V536-F542 HydrophobicContact CG1-CZ 4.22Å
537	A	82.6	Confident	79	Confident	9 Å²	9	53.6 Å²	53.6	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.3	173.4	0	0	0	0	0	110.2	R470 T509 Y511	R470-A537 HydrophobicContact CG-CB 4.4Å; T509-A537 PolarHBondContact N-O 3.03Å; T509-A537 PolarHBondContact O-N 2.99Å; Y511-A537 HydrophobicContact CD2-CB 4.24Å; Y511-A537 HydrophobicContact CG-CB 4.24Å
538	P	83.1	Confident	80.6	Confident	5 Å²	5	53 Å²	53	3%	0.032	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	156.7	169.2	34.1	-28.5	0	0	0	109.7	S467 Q469 D540 F542	S467-P538 WeakPolarHBondContact CB-O 3.5Å; S467-P538 WeakPolarHBondContact OG-CD 3.33Å; S467-P538 WeakPolarHBondContact OG-CG 3.12Å; S467-P538 PolarHBondContact OG-O 3.27Å; Q469-P538 WeakPolarHBondContact O-CD 3.31Å; P538-D540 PolarHBondContact O-N 3.49Å; P538-F542 HydrophobicContact CB-CD1 4.07Å; P538-F542 HydrophobicContact CB-CE1 3.98Å; P538-F542 HydrophobicContact CB-CG 4.39Å; P538-F542 HydrophobicContact CB-CZ 4.23Å; P538-F542 VanDerWaalsContact CD-CE2 3.43Å; P538-F542 HydrophobicContact CG-CD1 4.14Å; P538-F542 HydrophobicContact CG-CD2 3.8Å; P538-F542 HydrophobicContact CG-CE1 4.03Å; P538-F542 HydrophobicContact CG-CE2 3.68Å; P538-F542 HydrophobicContact CG-CG 4.03Å; P538-F542 HydrophobicContact CG-CZ 3.82Å
539	L	73.1	Confident	81.6	Confident	58 Å²	58	46.7 Å²	46.7	30%	0.304	24%	0.236	S	C	.	.	S	Bend	trans	-64	-28.9	169.7	-120.6	137.9	0	0	0	113.2	Y464 S507	Y464-L539 HydrophobicContact CD1-CD1 4.49Å; Y464-L539 HydrophobicContact CD1-CD2 3.73Å; Y464-L539 HydrophobicContact CD1-CG 3.81Å; Y464-L539 HydrophobicContact CE1-CD1 3.72Å; Y464-L539 HydrophobicContact CE1-CD2 3.65Å; Y464-L539 HydrophobicContact CE1-CG 3.53Å; S507-L539 PolarHBondContact O-N 3.16Å
540	D	77.3	Confident	82.1	Confident	88 Å²	88	44.6 Å²	44.6	47%	0.471	22%	0.221	S	C	.	.	S	Bend	trans	-132.5	-84	-174.2	-116.7	-3.5	0	0	0	111.7	S467 P538	S467-D540 WeakPolarHBondContact CB-O 3.33Å; P538-D540 PolarHBondContact O-N 3.49Å
541	R	80.2	Confident	82.2	Confident	180 Å²	180	48.1 Å²	48.1	68%	0.679	23%	0.234	S	C	*	.			trans	-145.7	150.1	172.9	-76	-172.5	-178.8	-179.9	0.4	109.8	S503 R504	S503-R541 WeakPolarHBondContact CA-O 3.31Å; S503-R541 WeakPolarHBondContact CB-O 3.09Å; R504-R541 PolarHBondContact N-O 3.02Å
542	F	85.7	Confident	81.8	Confident	13 Å²	13	52 Å²	52	6%	0.057	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-66.3	153.4	171.1	-69	-66.4	0	0	0	111.2	Q469 I471 F501 V536 P538 V546 L585	Q469-F542 HydrophobicContact CB-CD2 3.96Å; Q469-F542 HydrophobicContact CB-CE2 4.17Å; I471-F542 HydrophobicContact CB-CZ 4.4Å; I471-F542 HydrophobicContact CD1-CD1 4.07Å; I471-F542 HydrophobicContact CD1-CD2 3.93Å; I471-F542 HydrophobicContact CD1-CE1 3.6Å; I471-F542 HydrophobicContact CD1-CE2 3.43Å; I471-F542 VanDerWaalsContact CD1-CE2 3.43Å; I471-F542 HydrophobicContact CD1-CG 4.22Å; I471-F542 HydrophobicContact CD1-CZ 3.23Å; I471-F542 HydrophobicContact CG1-CD2 4.21Å; I471-F542 HydrophobicContact CG1-CE1 4.47Å; I471-F542 HydrophobicContact CG1-CE2 3.49Å; I471-F542 VanDerWaalsContact CG1-CE2 3.49Å; I471-F542 HydrophobicContact CG1-CZ 3.63Å; F501-F542 HydrophobicContact CB-CD1 4.13Å; F501-F542 HydrophobicContact CB-CE1 3.77Å; V536-F542 HydrophobicContact CG1-CE1 4.35Å; V536-F542 HydrophobicContact CG1-CZ 4.22Å; P538-F542 HydrophobicContact CB-CD1 4.07Å; P538-F542 HydrophobicContact CB-CE1 3.98Å; P538-F542 HydrophobicContact CB-CG 4.39Å; P538-F542 HydrophobicContact CB-CZ 4.23Å; P538-F542 VanDerWaalsContact CD-CE2 3.43Å; P538-F542 HydrophobicContact CG-CD1 4.14Å; P538-F542 HydrophobicContact CG-CD2 3.8Å; P538-F542 HydrophobicContact CG-CE1 4.03Å; P538-F542 HydrophobicContact CG-CE2 3.68Å; P538-F542 HydrophobicContact CG-CG 4.03Å; P538-F542 HydrophobicContact CG-CZ 3.82Å; F542-V546 HydrophobicContact CB-CB 3.81Å; F542-V546 HydrophobicContact CB-CG1 3.95Å; F542-V546 HydrophobicContact CB-CG2 4.1Å; F542-V546 HydrophobicContact CD1-CG1 4.19Å; F542-V546 HydrophobicContact CD1-CG2 4.32Å; F542-V546 HydrophobicContact CD2-CG1 4.35Å; F542-V546 HydrophobicContact CG-CB 4.29Å; F542-V546 HydrophobicContact CG-CG1 3.92Å; F542-V546 HydrophobicContact CG-CG2 4.48Å; F542-L585 HydrophobicContact CD2-CD1 4.23Å; F542-L585 HydrophobicContact CE2-CD1 4.41Å
543	T	84.7	Confident	81.1	Confident	30 Å²	30	53 Å²	53	18%	0.184	26%	0.259	C	S	.	.			trans	-61.4	154.4	170.3	48.6	0	0	0	0	111.4	P502 R545 V546	P502-T543 HydrophobicContact CB-CG2 4.46Å; P502-T543 HydrophobicContact CG-CG2 4.38Å; P502-T543 VanDerWaalsContact O-CG2 3.31Å; P502-T543 WeakPolarHBondContact O-CG2 3.35Å; P502-T543 PolarHBondContact O-N 2.82Å; P502-T543 PolarHBondContact O-OG1 3.37Å; T543-R545 PolarHBondContact O-N 3.31Å; T543-R545 VanDerWaalsContact O-N 3.11Å; T543-V546 PolarHBondContact O-N 3.46Å
544	P	82.9	Confident	80.2	Confident	92 Å²	92	57.4 Å²	57.4	60%	0.597	28%	0.283	S	S	*	.	H	α-helix	trans	-54.7	-34.4	-178.5	-24.4	32.5	0	0	0	113.3	V546 S547 V548	P544-V546 VanDerWaalsContact C-N 3.31Å; P544-V546 PolarHBondContact O-N 3.22Å; P544-S547 WeakPolarHBondContact CA-OG 3.5Å; P544-S547 PolarHBondContact O-N 2.81Å; P544-S547 VanDerWaalsContact O-N 3.09Å; P544-S547 PolarHBondContact O-OG 3.02Å; P544-V548 WeakPolarHBondContact O-CG2 3.34Å; P544-V548 PolarHBondContact O-N 3.45Å
545	R	84	Confident	79.3	Confident	205 Å²	205	61.8 Å²	61.8	77%	0.774	31%	0.313	S	S	*	.	H	α-helix	trans	-52.4	-45.5	176.3	-89.6	-175.8	166.2	174.4	-3.6	113.1	T543 S547 V548 L549	T543-R545 PolarHBondContact O-N 3.31Å; T543-R545 VanDerWaalsContact O-N 3.11Å; R545-S547 VanDerWaalsContact C-N 3.34Å; R545-S547 PolarHBondContact O-N 2.69Å; R545-V548 PolarHBondContact O-N 2.82Å; R545-L549 PolarHBondContact O-N 2.99Å
546	V	84.4	Confident	78.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-39.3	179.9	-178.7	0	0	0	0	111	I471 F501 F542 T543 P544 L549 G550 W568	I471-V546 HydrophobicContact CD1-CG1 3.41Å; I471-V546 VanDerWaalsContact CD1-CG1 3.41Å; I471-V546 HydrophobicContact CG1-CG1 4.46Å; F501-V546 HydrophobicContact CD1-CG1 3.93Å; F501-V546 HydrophobicContact CD1-CG2 4.32Å; F542-V546 HydrophobicContact CB-CB 3.81Å; F542-V546 HydrophobicContact CB-CG1 3.95Å; F542-V546 HydrophobicContact CB-CG2 4.1Å; F542-V546 HydrophobicContact CD1-CG1 4.19Å; F542-V546 HydrophobicContact CD1-CG2 4.32Å; F542-V546 HydrophobicContact CD2-CG1 4.35Å; F542-V546 HydrophobicContact CG-CB 4.29Å; F542-V546 HydrophobicContact CG-CG1 3.92Å; F542-V546 HydrophobicContact CG-CG2 4.48Å; T543-V546 PolarHBondContact O-N 3.46Å; P544-V546 VanDerWaalsContact C-N 3.31Å; P544-V546 PolarHBondContact O-N 3.22Å; V546-L549 PolarHBondContact O-N 3.21Å; V546-G550 PolarHBondContact O-N 3.36Å; V546-W568 HydrophobicContact CB-CH2 4.33Å; V546-W568 HydrophobicContact CG2-CH2 3.79Å; V546-W568 HydrophobicContact CG2-CZ3 4.35Å
547	S	79.2	Confident	77.5	Confident	37 Å²	37	69.3 Å²	69.3	26%	0.259	36%	0.359	S	S	.	.	H	α-helix	trans	-70.1	-31.5	178.5	63.1	0	0	0	0	113.3	P544 R545 K551	P544-S547 WeakPolarHBondContact CA-OG 3.5Å; P544-S547 PolarHBondContact O-N 2.81Å; P544-S547 VanDerWaalsContact O-N 3.09Å; P544-S547 PolarHBondContact O-OG 3.02Å; R545-S547 VanDerWaalsContact C-N 3.34Å; R545-S547 PolarHBondContact O-N 2.69Å; S547-K551 WeakPolarHBondContact O-CG 3.32Å; S547-K551 PolarHBondContact O-N 3.09Å
548	V	80.8	Confident	76.8	Confident	76 Å²	76	72.4 Å²	72.4	46%	0.461	38%	0.377	S	S	.	.	H	α-helix	trans	-68.3	-48.7	172.6	173.6	0	0	0	0	109.9	P544 R545 G550 K551 D552	P544-V548 WeakPolarHBondContact O-CG2 3.34Å; P544-V548 PolarHBondContact O-N 3.45Å; R545-V548 PolarHBondContact O-N 2.82Å; V548-G550 VanDerWaalsContact C-N 3.28Å; V548-G550 PolarHBondContact O-N 3.04Å; V548-K551 WeakPolarHBondContact O-CA 3.43Å; V548-K551 WeakPolarHBondContact O-CB 3.27Å; V548-K551 PolarHBondContact O-N 2.81Å; V548-D552 PolarHBondContact O-N 2.78Å
549	L	79.5	Confident	76.1	Confident	22 Å²	22	73.6 Å²	73.6	12%	0.115	38%	0.384	C	S	.	.	H	α-helix	trans	-53.8	-46.3	176.2	-173.3	81.7	0	0	0	111.7	R545 V546 K551 D552 L553 W568 W580 F583	R545-L549 PolarHBondContact O-N 2.99Å; V546-L549 PolarHBondContact O-N 3.21Å; L549-K551 VanDerWaalsContact C-N 3.33Å; L549-K551 PolarHBondContact O-N 2.97Å; L549-D552 PolarHBondContact O-N 2.8Å; L549-L553 HydrophobicContact CD2-CD1 4.41Å; L549-L553 HydrophobicContact CG-CD1 4.01Å; L549-L553 WeakPolarHBondContact O-CB 3.47Å; L549-L553 PolarHBondContact O-N 3.39Å; L549-W568 HydrophobicContact CD2-CD2 3.89Å; L549-W568 HydrophobicContact CD2-CE3 3.71Å; L549-W568 HydrophobicContact CD2-CH2 4.04Å; L549-W568 HydrophobicContact CD2-CZ2 4.2Å; L549-W568 HydrophobicContact CD2-CZ3 3.78Å; L549-W580 HydrophobicContact CD2-CZ3 4.4Å; L549-F583 HydrophobicContact CD2-CZ 4.35Å
550	G	75.7	Confident	75.9	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.01	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-39.9	177.2	0	0	0	0	0	113.1	V546 V548 L554	V546-G550 PolarHBondContact O-N 3.36Å; V548-G550 VanDerWaalsContact C-N 3.28Å; V548-G550 PolarHBondContact O-N 3.04Å; G550-L554 WeakPolarHBondContact O-CB 3.33Å; G550-L554 WeakPolarHBondContact O-CD1 3.01Å; G550-L554 PolarHBondContact O-N 2.81Å; G550-L554 VanDerWaalsContact O-N 3.12Å
551	K	75.3	Confident	75.4	Confident	153 Å²	153	76.2 Å²	76.2	67%	0.665	39%	0.391	S	S	*	.	H	α-helix	trans	-68.4	-42.2	175.7	-78.1	-178.9	176.8	-177.1	0	112.4	S547 V548 L549 L554 S555	S547-K551 WeakPolarHBondContact O-CG 3.32Å; S547-K551 PolarHBondContact O-N 3.09Å; V548-K551 WeakPolarHBondContact O-CA 3.43Å; V548-K551 WeakPolarHBondContact O-CB 3.27Å; V548-K551 PolarHBondContact O-N 2.81Å; L549-K551 VanDerWaalsContact C-N 3.33Å; L549-K551 PolarHBondContact O-N 2.97Å; K551-L554 PolarHBondContact O-N 3.27Å; K551-S555 WeakPolarHBondContact O-CB 3.38Å; K551-S555 PolarHBondContact O-N 2.72Å; K551-S555 PolarHBondContact O-OG 3.07Å
552	D	74	Confident	74.3	Confident	84 Å²	84	74.9 Å²	74.9	45%	0.449	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-46.9	179.9	-71.6	-15.4	0	0	0	110.8	V548 L549 L554 S555 N556	V548-D552 PolarHBondContact O-N 2.78Å; L549-D552 PolarHBondContact O-N 2.8Å; D552-L554 VanDerWaalsContact C-N 3.33Å; D552-L554 PolarHBondContact O-N 2.74Å; D552-S555 PolarHBondContact O-N 2.89Å; D552-S555 PolarHBondContact O-OG 3.37Å; D552-N556 PolarHBondContact O-N 2.86Å
553	L	73.6	Confident	72.8	Confident	19 Å²	19	80.6 Å²	80.6	10%	0.099	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-36.6	175.6	-86	157.9	0	0	0	113	L549 C560 I565 F583	L549-L553 HydrophobicContact CD2-CD1 4.41Å; L549-L553 HydrophobicContact CG-CD1 4.01Å; L549-L553 WeakPolarHBondContact O-CB 3.47Å; L549-L553 PolarHBondContact O-N 3.39Å; L553-C560 HydrophobicContact CD2-CB 4.03Å; L553-I565 HydrophobicContact CD2-CD1 3.71Å; L553-I565 HydrophobicContact CG-CD1 4.27Å; L553-F583 HydrophobicContact CD1-CB 4.03Å; L553-F583 HydrophobicContact CD1-CD1 3.68Å; L553-F583 HydrophobicContact CD1-CE1 4.35Å; L553-F583 HydrophobicContact CD1-CG 3.92Å
554	L	67.5	Low	71.3	Confident	130 Å²	130	84.5 Å²	84.5	68%	0.681	44%	0.441	S	S	*	.	H	α-helix	trans	-71.5	-38.5	176	-98	150.4	0	0	0	112.6	G550 K551 D552	G550-L554 WeakPolarHBondContact O-CB 3.33Å; G550-L554 WeakPolarHBondContact O-CD1 3.01Å; G550-L554 PolarHBondContact O-N 2.81Å; G550-L554 VanDerWaalsContact O-N 3.12Å; K551-L554 PolarHBondContact O-N 3.27Å; D552-L554 VanDerWaalsContact C-N 3.33Å; D552-L554 PolarHBondContact O-N 2.74Å
555	S	68.9	Low	70.1	Confident	92 Å²	92	80.8 Å²	80.8	64%	0.643	42%	0.416	S	S	*	.	H	α-helix	trans	-71.2	-30.8	-175.3	71.9	0	0	0	0	113	K551 D552	K551-S555 WeakPolarHBondContact O-CB 3.38Å; K551-S555 PolarHBondContact O-N 2.72Å; K551-S555 PolarHBondContact O-OG 3.07Å; D552-S555 PolarHBondContact O-N 2.89Å; D552-S555 PolarHBondContact O-OG 3.37Å
556	N	67.4	Low	68.6	Low	65 Å²	65	75.6 Å²	75.6	35%	0.348	40%	0.403	S	S	.	.			trans	-147.5	93.6	-177	-160.8	-15.8	0	0	0	111.3	D552 T558 V559	D552-N556 PolarHBondContact O-N 2.86Å; N556-T558 PolarHBondContact O-N 3.36Å; N556-T558 PolarHBondContact OD1-OG1 2.82Å; N556-V559 HydrophobicContact CB-CG2 3.75Å; N556-V559 VanDerWaalsContact O-CB 3.28Å; N556-V559 WeakPolarHBondContact O-CB 3.25Å; N556-V559 WeakPolarHBondContact O-CG2 3.37Å; N556-V559 PolarHBondContact O-N 2.86Å
557	P	66.6	Low	67.8	Low	97 Å²	97	79.8 Å²	79.8	63%	0.63	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-63.4	-16.2	-174.8	22.7	-31.7	0	0	0	113.3	V559 C560	P557-V559 VanDerWaalsContact C-N 3.25Å; P557-V559 PolarHBondContact O-N 2.81Å; P557-C560 PolarHBondContact O-SG 3.24Å
558	T	69.1	Low	67.7	Low	74 Å²	74	80.1 Å²	80.1	45%	0.454	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-72	-18.6	174.1	65.5	0	0	0	0	113.4	N556 C560 K561	N556-T558 PolarHBondContact O-N 3.36Å; N556-T558 PolarHBondContact OD1-OG1 2.82Å; T558-C560 PolarHBondContact O-N 3.01Å; T558-K561 PolarHBondContact O-N 2.99Å; T558-K561 VanDerWaalsContact O-N 3.15Å
559	V	68.8	Low	67.6	Low	30 Å²	30	78.8 Å²	78.8	18%	0.182	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-63.5	-28.3	177.9	176.4	0	0	0	0	111.3	N556 P557 K561 R562 I565	N556-V559 HydrophobicContact CB-CG2 3.75Å; N556-V559 VanDerWaalsContact O-CB 3.28Å; N556-V559 WeakPolarHBondContact O-CB 3.25Å; N556-V559 WeakPolarHBondContact O-CG2 3.37Å; N556-V559 PolarHBondContact O-N 2.86Å; P557-V559 VanDerWaalsContact C-N 3.25Å; P557-V559 PolarHBondContact O-N 2.81Å; V559-K561 PolarHBondContact O-N 3.5Å; V559-K561 VanDerWaalsContact O-N 3.08Å; V559-R562 PolarHBondContact O-N 2.65Å; V559-I565 HydrophobicContact CG1-CD1 4.41Å; V559-I565 HydrophobicContact CG1-CG1 4.46Å
560	C	68.7	Low	67.7	Low	26 Å²	26	81 Å²	81	18%	0.176	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.5	176.9	75.1	0	0	0	0	113.8	L553 P557 T558 C581	L553-C560 HydrophobicContact CD2-CB 4.03Å; P557-C560 PolarHBondContact O-SG 3.24Å; T558-C560 PolarHBondContact O-N 3.01Å; C560-C581 HydrophobicContact CB-CB 3.86Å; C560-C581 WeakPolarHBondContact CB-SG 3.38Å; C560-C581 VanDerWaalsContact SG-CA 3.6Å; C560-C581 WeakPolarHBondContact SG-CB 3.33Å; C560-C581 CovalentContact SG-SG 2.04Å; C560-C581 PolarHBondContact SG-SG 3.24Å
561	K	65.8	Low	68.2	Low	174 Å²	174	83.1 Å²	83.1	76%	0.757	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-96.6	-9.2	176.6	-66.1	-174.1	178	-178.7	0	113.8	T558 V559	T558-K561 PolarHBondContact O-N 2.99Å; T558-K561 VanDerWaalsContact O-N 3.15Å; V559-K561 PolarHBondContact O-N 3.5Å; V559-K561 VanDerWaalsContact O-N 3.08Å
562	R	58.2	Low	68.8	Low	153 Å²	153	76 Å²	76	58%	0.577	42%	0.417	S	S	*	.	S	Bend	trans	-91.7	143.2	-179	-72.7	-179.4	172.8	154.7	-1.7	109.5	V559 V564	V559-R562 PolarHBondContact O-N 2.65Å; R562-V564 HydrophobicContact CB-CG2 4.36Å; R562-V564 PolarHBondContact O-N 3.31Å
563	N	52.8	Low	69.2	Low	133 Å²	133	74.1 Å²	74.1	71%	0.711	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-56.6	6.8	178.9	-75.6	-7.8	0	0	0	115.6	L566	N563-L566 HydrophobicContact CB-CD1 3.65Å; N563-L566 HydrophobicContact CB-CG 4.32Å; N563-L566 WeakPolarHBondContact O-CB 3.46Å; N563-L566 WeakPolarHBondContact O-CD1 3.32Å; N563-L566 WeakPolarHBondContact O-CG 3.36Å
564	V	53.4	Low	69.6	Low	112 Å²	112	79.5 Å²	79.5	68%	0.679	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-77.9	-19.9	-177.8	-174.1	0	0	0	0	112.2	R562 L566 P567	R562-V564 HydrophobicContact CB-CG2 4.36Å; R562-V564 PolarHBondContact O-N 3.31Å; V564-L566 VanDerWaalsContact C-N 3.34Å; V564-P567 WeakPolarHBondContact O-CD 3.33Å
565	I	58	Low	70.6	Confident	13 Å²	13	79.7 Å²	79.7	7%	0.067	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-87.7	-2.7	178.2	-50.6	-178.2	0	0	0	112.7	L553 V559 P567 W568 D569 W580	L553-I565 HydrophobicContact CD2-CD1 3.71Å; L553-I565 HydrophobicContact CG-CD1 4.27Å; V559-I565 HydrophobicContact CG1-CD1 4.41Å; V559-I565 HydrophobicContact CG1-CG1 4.46Å; I565-P567 VanDerWaalsContact C-N 3.28Å; I565-P567 VanDerWaalsContact O-CD 3.3Å; I565-P567 WeakPolarHBondContact O-CD 3.21Å; I565-W568 PolarHBondContact O-N 3.28Å; I565-W568 VanDerWaalsContact O-N 3.11Å; I565-D569 PolarHBondContact O-N 3.38Å; I565-W580 HydrophobicContact CD1-CB 4.24Å; I565-W580 HydrophobicContact CG2-CD2 3.77Å; I565-W580 HydrophobicContact CG2-CE3 4.15Å; I565-W580 HydrophobicContact CG2-CG 3.92Å
566	L	53.8	Low	71.6	Confident	97 Å²	97	75.7 Å²	75.7	51%	0.508	41%	0.412	S	S	.	.	H	α-helix	trans	-47.5	-33.7	-179.9	-79.6	170.3	0	0	0	116	N563 V564 W568 A570	N563-L566 HydrophobicContact CB-CD1 3.65Å; N563-L566 HydrophobicContact CB-CG 4.32Å; N563-L566 WeakPolarHBondContact O-CB 3.46Å; N563-L566 WeakPolarHBondContact O-CD1 3.32Å; N563-L566 WeakPolarHBondContact O-CG 3.36Å; V564-L566 VanDerWaalsContact C-N 3.34Å; L566-W568 VanDerWaalsContact C-N 3.32Å; L566-W568 PolarHBondContact O-N 2.82Å; L566-A570 VanDerWaalsContact O-CB 3.31Å; L566-A570 WeakPolarHBondContact O-CB 3.21Å; L566-A570 PolarHBondContact O-N 3.5Å
567	P	67.7	Low	72.5	Confident	87 Å²	87	79.8 Å²	79.8	57%	0.565	43%	0.427	S	S	*	.	H	α-helix	trans	-66.4	-33.7	-178.3	-17.9	29.5	0	0	0	113.4	V564 I565	V564-P567 WeakPolarHBondContact O-CD 3.33Å; I565-P567 VanDerWaalsContact C-N 3.28Å; I565-P567 VanDerWaalsContact O-CD 3.3Å; I565-P567 WeakPolarHBondContact O-CD 3.21Å
568	W	75.9	Confident	73.5	Confident	44 Å²	44	75.9 Å²	75.9	17%	0.167	40%	0.401	C	S	.	.	H	α-helix	trans	-87.2	-37.9	-178	-68.2	57.8	0	0	0	110.7	A500 F501 V546 L549 I565 L566 A570 I571 F572 W580	A500-W568 HydrophobicContact CB-CE3 4.13Å; A500-W568 HydrophobicContact CB-CZ3 4.45Å; A500-W568 WeakPolarHBondContact O-CH2 3.43Å; A500-W568 WeakPolarHBondContact O-CZ3 3.39Å; F501-W568 HydrophobicContact CD1-CE3 4.3Å; F501-W568 HydrophobicContact CD1-CH2 4.42Å; F501-W568 AromaticContact CD1-CZ3 3.5Å; F501-W568 HydrophobicContact CD1-CZ3 3.5Å; F501-W568 AromaticContact CE1-CE3 3.84Å; F501-W568 HydrophobicContact CE1-CE3 3.84Å; F501-W568 AromaticContact CE1-CZ3 3.43Å; F501-W568 HydrophobicContact CE1-CZ3 3.43Å; F501-W568 VanDerWaalsContact CE1-CZ3 3.43Å; F501-W568 HydrophobicContact CG-CZ3 4.46Å; F501-W568 HydrophobicContact CZ-CE3 4.4Å; F501-W568 HydrophobicContact CZ-CZ3 4.37Å; V546-W568 HydrophobicContact CB-CH2 4.33Å; V546-W568 HydrophobicContact CG2-CH2 3.79Å; V546-W568 HydrophobicContact CG2-CZ3 4.35Å; L549-W568 HydrophobicContact CD2-CD2 3.89Å; L549-W568 HydrophobicContact CD2-CE3 3.71Å; L549-W568 HydrophobicContact CD2-CH2 4.04Å; L549-W568 HydrophobicContact CD2-CZ2 4.2Å; L549-W568 HydrophobicContact CD2-CZ3 3.78Å; I565-W568 PolarHBondContact O-N 3.28Å; I565-W568 VanDerWaalsContact O-N 3.11Å; L566-W568 VanDerWaalsContact C-N 3.32Å; L566-W568 PolarHBondContact O-N 2.82Å; W568-A570 PolarHBondContact O-N 3.48Å; W568-I571 WeakPolarHBondContact O-CB 3.32Å; W568-I571 PolarHBondContact O-N 3.2Å; W568-F572 WeakPolarHBondContact O-CD2 3.45Å; W568-W580 HydrophobicContact CB-CH2 3.76Å; W568-W580 HydrophobicContact CB-CZ2 3.99Å
569	D	79.6	Confident	74.3	Confident	49 Å²	49	74.9 Å²	74.9	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-30.7	173.6	-154.1	42.5	0	0	0	111.1	I565 I571 F572 A573 W580	I565-D569 PolarHBondContact O-N 3.38Å; D569-I571 PolarHBondContact O-N 2.95Å; D569-F572 PolarHBondContact O-N 3.25Å; D569-F572 VanDerWaalsContact O-N 3.12Å; D569-A573 WeakPolarHBondContact O-CB 3.48Å; D569-A573 PolarHBondContact O-N 2.98Å; D569-W580 HydrophobicContact CB-CZ2 4.38Å; D569-W580 VanDerWaalsContact CG-NE1 3.32Å; D569-W580 PolarHBondContact OD1-NE1 3.26Å
570	A	81.1	Confident	74.9	Confident	68 Å²	68	74.3 Å²	74.3	56%	0.562	39%	0.388	S	S	*	.	H	α-helix	trans	-61.7	-25.6	173.2	0	0	0	0	0	114.4	L566 W568	L566-A570 VanDerWaalsContact O-CB 3.31Å; L566-A570 WeakPolarHBondContact O-CB 3.21Å; L566-A570 PolarHBondContact O-N 3.5Å; W568-A570 PolarHBondContact O-N 3.48Å
571	I	86	Confident	75.3	Confident	46 Å²	46	76.2 Å²	76.2	24%	0.236	40%	0.401	C	S	.	.	H	α-helix	trans	-74	-34.5	176.2	-56.3	170.7	0	0	0	110.3	A496 E499 A500 W568 D569	A496-I571 HydrophobicContact CB-CG2 4.29Å; E499-I571 HydrophobicContact CB-CG2 4.08Å; E499-I571 HydrophobicContact CG-CD1 4.37Å; E499-I571 HydrophobicContact CG-CG2 4.07Å; A500-I571 HydrophobicContact CB-CD1 3.99Å; A500-I571 HydrophobicContact CB-CG2 4.41Å; W568-I571 WeakPolarHBondContact O-CB 3.32Å; W568-I571 PolarHBondContact O-N 3.2Å; D569-I571 PolarHBondContact O-N 2.95Å
572	F	88.5	Confident	76	Confident	2 Å²	2	72 Å²	72	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-89.4	-34.7	-179	-69.5	-77.6	0	0	0	112.4	A496 V497 A500 F501 W568 D569 R575 F576 V578 W580	A496-F572 HydrophobicContact CB-CD1 3.88Å; A496-F572 HydrophobicContact CB-CE1 3.74Å; A496-F572 HydrophobicContact CB-CZ 4.47Å; V497-F572 HydrophobicContact CG2-CE1 4.39Å; A500-F572 HydrophobicContact CB-CE2 3.58Å; A500-F572 HydrophobicContact CB-CZ 3.74Å; F501-F572 HydrophobicContact CE2-CE2 4.28Å; F501-F572 AromaticContact CE2-CZ 3.82Å; F501-F572 HydrophobicContact CE2-CZ 3.82Å; F501-F572 HydrophobicContact CZ-CE2 4.48Å; F501-F572 HydrophobicContact CZ-CZ 4.44Å; W568-F572 WeakPolarHBondContact O-CD2 3.45Å; D569-F572 PolarHBondContact O-N 3.25Å; D569-F572 VanDerWaalsContact O-N 3.12Å; F572-R575 PolarHBondContact O-N 3.23Å; F572-F576 CarbonylContact C-O 3.6Å; F572-F576 HydrophobicContact CB-CB 4.12Å; F572-F576 HydrophobicContact CD1-CB 4.26Å; F572-F576 HydrophobicContact CD1-CD2 4.39Å; F572-F576 PolarHBondContact O-N 2.84Å; F572-V578 HydrophobicContact CB-CG2 3.84Å; F572-V578 HydrophobicContact CD1-CG2 3.88Å; F572-V578 HydrophobicContact CD2-CG2 4.08Å; F572-V578 HydrophobicContact CG-CG2 3.64Å; F572-W580 HydrophobicContact CD2-CH2 4.07Å; F572-W580 AromaticContact CD2-CZ2 3.84Å; F572-W580 HydrophobicContact CD2-CZ2 3.84Å; F572-W580 AromaticContact CE2-CH2 3.88Å; F572-W580 HydrophobicContact CE2-CH2 3.88Å; F572-W580 HydrophobicContact CE2-CZ2 4.14Å
573	A	82.3	Confident	77.2	Confident	46 Å²	46	65.5 Å²	65.5	38%	0.38	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	149.5	179.7	0	0	0	0	0	111.8	D569 R575	D569-A573 WeakPolarHBondContact O-CB 3.48Å; D569-A573 PolarHBondContact O-N 2.98Å; A573-R575 VanDerWaalsContact C-N 3.33Å
574	P	82.3	Confident	78.6	Confident	132 Å²	132	63.1 Å²	63.1	86%	0.857	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.3	-3.7	-1.6	33.9	-34	0	0	0	113.2
575	R	87.5	Confident	80.1	Confident	134 Å²	134	59.6 Å²	59.6	51%	0.506	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-42.6	-166.2	-149.5	74.4	172.2	175	-1.1	112.7	N477 Y478 F572 A573	N477-R575 PolarHBondContact ND2-O 3Å; Y478-R575 VanDerWaalsContact CE2-O 3.26Å; Y478-R575 WeakPolarHBondContact CE2-O 3.13Å; F572-R575 PolarHBondContact O-N 3.23Å; A573-R575 VanDerWaalsContact C-N 3.33Å
576	F	89.6	Confident	81	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.031	33%	0.328	C	S	.	.			trans	-116.2	121.5	-178.6	-56.7	-69.4	0	0	0	110.2	V475 Y478 F483 L489 Q492 L493 F572 V578	V475-F576 HydrophobicContact CG1-CB 4.23Å; V475-F576 HydrophobicContact CG1-CD1 4.07Å; Y478-F576 AromaticContact CD2-CD1 3.86Å; Y478-F576 HydrophobicContact CD2-CD1 3.86Å; Y478-F576 HydrophobicContact CD2-CE1 4.11Å; Y478-F576 AromaticContact CE2-CD1 3.73Å; Y478-F576 HydrophobicContact CE2-CD1 3.73Å; Y478-F576 AromaticContact CE2-CE1 3.89Å; Y478-F576 HydrophobicContact CE2-CE1 3.89Å; F483-F576 HydrophobicContact CE1-CD1 4.49Å; F483-F576 AromaticContact CE1-CE1 3.85Å; F483-F576 HydrophobicContact CE1-CE1 3.85Å; F483-F576 HydrophobicContact CZ-CE1 4.3Å; L489-F576 HydrophobicContact CG-CE1 4.26Å; Q492-F576 HydrophobicContact CB-CE2 4.18Å; Q492-F576 HydrophobicContact CB-CZ 4.1Å; L493-F576 HydrophobicContact CB-CE1 4.23Å; L493-F576 HydrophobicContact CB-CE2 4.23Å; L493-F576 HydrophobicContact CB-CZ 3.8Å; L493-F576 HydrophobicContact CD1-CD1 4.05Å; L493-F576 HydrophobicContact CD1-CD2 4.33Å; L493-F576 HydrophobicContact CD1-CE1 4.07Å; L493-F576 HydrophobicContact CD1-CE2 4.33Å; L493-F576 HydrophobicContact CD1-CG 4.19Å; L493-F576 HydrophobicContact CD1-CZ 4.2Å; F572-F576 CarbonylContact C-O 3.6Å; F572-F576 HydrophobicContact CB-CB 4.12Å; F572-F576 HydrophobicContact CD1-CB 4.26Å; F572-F576 HydrophobicContact CD1-CD2 4.39Å; F572-F576 PolarHBondContact O-N 2.84Å; F576-V578 PolarHBondContact O-N 3.4Å
577	K	88.1	Confident	81.6	Confident	152 Å²	152	60.5 Å²	60.5	66%	0.661	32%	0.316	S	S	*	.			trans	-88.7	104.5	171.3	-102.4	-175.9	173.8	179	0	109	A476 N477	A476-K577 PolarHBondContact N-O 3.21Å; N477-K577 HydrophobicContact CB-CB 4.15Å; N477-K577 PolarHBondContact OD1-N 3.15Å
578	V	86.8	Confident	81	Confident	14 Å²	14	59.6 Å²	59.6	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.4	178.9	-177.4	0	0	0	0	109.8	L473 L474 F572 F576 W580	L473-V578 HydrophobicContact CB-CG1 4.14Å; L474-V578 CarbonylContact O-C 3.54Å; L474-V578 WeakPolarHBondContact O-CA 3.26Å; F572-V578 HydrophobicContact CB-CG2 3.84Å; F572-V578 HydrophobicContact CD1-CG2 3.88Å; F572-V578 HydrophobicContact CD2-CG2 4.08Å; F572-V578 HydrophobicContact CG-CG2 3.64Å; F576-V578 PolarHBondContact O-N 3.4Å; V578-W580 HydrophobicContact CB-CZ2 4.22Å; V578-W580 HydrophobicContact CG1-CD2 4.08Å; V578-W580 HydrophobicContact CG1-CE3 4.44Å; V578-W580 HydrophobicContact CG1-CG 4.5Å; V578-W580 HydrophobicContact CG1-CZ2 4.18Å; V578-W580 PolarHBondContact O-N 3.41Å
579	D	84.9	Confident	79.7	Confident	54 Å²	54	60.5 Å²	60.5	29%	0.289	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	91.8	171.2	-175.4	1.7	0	0	0	109.7	L474 C581 R582	L474-D579 HydrophobicContact CB-CB 4.28Å; L474-D579 HydrophobicContact CD2-CB 4.08Å; L474-D579 HydrophobicContact CG-CB 4.48Å; L474-D579 PolarHBondContact O-N 3.02Å; D579-C581 PolarHBondContact O-N 2.59Å; D579-C581 WeakPolarHBondContact OD1-CB 3.45Å; D579-C581 PolarHBondContact OD1-N 3.42Å; D579-R582 PolarHBondContact O-N 3.19Å; D579-R582 VanDerWaalsContact O-N 3.08Å; D579-R582 IonicContact OD2-NE 3.84Å
580	W	81.8	Confident	77.9	Confident	17 Å²	17	62.4 Å²	62.4	6%	0.064	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-21.2	-179	-63.5	99	0	0	0	113.6	F501 L549 I565 W568 D569 F572 V578 R582 F583	F501-W580 HydrophobicContact CZ-CH2 4.48Å; F501-W580 HydrophobicContact CZ-CZ3 4.42Å; L549-W580 HydrophobicContact CD2-CZ3 4.4Å; I565-W580 HydrophobicContact CD1-CB 4.24Å; I565-W580 HydrophobicContact CG2-CD2 3.77Å; I565-W580 HydrophobicContact CG2-CE3 4.15Å; I565-W580 HydrophobicContact CG2-CG 3.92Å; W568-W580 HydrophobicContact CB-CH2 3.76Å; W568-W580 HydrophobicContact CB-CZ2 3.99Å; D569-W580 HydrophobicContact CB-CZ2 4.38Å; D569-W580 VanDerWaalsContact CG-NE1 3.32Å; D569-W580 PolarHBondContact OD1-NE1 3.26Å; F572-W580 HydrophobicContact CD2-CH2 4.07Å; F572-W580 AromaticContact CD2-CZ2 3.84Å; F572-W580 HydrophobicContact CD2-CZ2 3.84Å; F572-W580 AromaticContact CE2-CH2 3.88Å; F572-W580 HydrophobicContact CE2-CH2 3.88Å; F572-W580 HydrophobicContact CE2-CZ2 4.14Å; V578-W580 HydrophobicContact CB-CZ2 4.22Å; V578-W580 HydrophobicContact CG1-CD2 4.08Å; V578-W580 HydrophobicContact CG1-CE3 4.44Å; V578-W580 HydrophobicContact CG1-CG 4.5Å; V578-W580 HydrophobicContact CG1-CZ2 4.18Å; V578-W580 PolarHBondContact O-N 3.41Å; W580-R582 PolarHBondContact O-N 3.46Å; W580-F583 HydrophobicContact CE3-CD2 4.18Å; W580-F583 HydrophobicContact CZ3-CD2 4.12Å; W580-F583 HydrophobicContact CZ3-CE2 4.41Å; W580-F583 VanDerWaalsContact O-CB 3.26Å; W580-F583 WeakPolarHBondContact O-CB 3.37Å; W580-F583 PolarHBondContact O-N 3.3Å; W580-F583 VanDerWaalsContact O-N 3.14Å
581	C	78.1	Confident	76	Confident	67 Å²	67	63.8 Å²	63.8	45%	0.453	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-16.1	175.4	-56.4	0	0	0	0	112.4	C560 D579	C560-C581 HydrophobicContact CB-CB 3.86Å; C560-C581 WeakPolarHBondContact CB-SG 3.38Å; C560-C581 VanDerWaalsContact SG-CA 3.6Å; C560-C581 WeakPolarHBondContact SG-CB 3.33Å; C560-C581 CovalentContact SG-SG 2.04Å; C560-C581 PolarHBondContact SG-SG 3.24Å; D579-C581 PolarHBondContact O-N 2.59Å; D579-C581 WeakPolarHBondContact OD1-CB 3.45Å; D579-C581 PolarHBondContact OD1-N 3.42Å
582	R	79.4	Confident	73.4	Confident	84 Å²	84	67.6 Å²	67.6	32%	0.317	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	11.2	175.9	-70.3	-179.4	173.8	-168.4	3.1	113.5	L474 D579 W580 R584	L474-R582 HydrophobicContact CB-CB 4.25Å; L474-R582 VanDerWaalsContact CD2-CD 3.49Å; D579-R582 PolarHBondContact O-N 3.19Å; D579-R582 VanDerWaalsContact O-N 3.08Å; D579-R582 IonicContact OD2-NE 3.84Å; W580-R582 PolarHBondContact O-N 3.46Å; R582-R584 PolarHBondContact O-N 2.67Å
583	F	84.8	Confident	70.7	Confident	18 Å²	18	76.6 Å²	76.6	8%	0.079	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.6	173.1	-177.1	-90.1	0	0	0	110.7	I471 Q472 F501 L549 L553 W580 L585	I471-F583 HydrophobicContact CD1-CZ 4.37Å; I471-F583 HydrophobicContact CG1-CZ 4.31Å; I471-F583 HydrophobicContact CG2-CD2 3.94Å; I471-F583 HydrophobicContact CG2-CE1 4.42Å; I471-F583 HydrophobicContact CG2-CE2 3.18Å; I471-F583 HydrophobicContact CG2-CZ 3.47Å; I471-F583 VanDerWaalsContact CG2-CZ 3.47Å; Q472-F583 WeakPolarHBondContact O-CA 3.25Å; F501-F583 AromaticContact CE1-CE2 3.66Å; F501-F583 HydrophobicContact CE1-CE2 3.66Å; F501-F583 HydrophobicContact CE1-CZ 4.16Å; F501-F583 AromaticContact CZ-CE2 3.9Å; F501-F583 HydrophobicContact CZ-CE2 3.9Å; L549-F583 HydrophobicContact CD2-CZ 4.35Å; L553-F583 HydrophobicContact CD1-CB 4.03Å; L553-F583 HydrophobicContact CD1-CD1 3.68Å; L553-F583 HydrophobicContact CD1-CE1 4.35Å; L553-F583 HydrophobicContact CD1-CG 3.92Å; W580-F583 HydrophobicContact CE3-CD2 4.18Å; W580-F583 HydrophobicContact CZ3-CD2 4.12Å; W580-F583 HydrophobicContact CZ3-CE2 4.41Å; W580-F583 VanDerWaalsContact O-CB 3.26Å; W580-F583 WeakPolarHBondContact O-CB 3.37Å; W580-F583 PolarHBondContact O-N 3.3Å; W580-F583 VanDerWaalsContact O-N 3.14Å; F583-L585 HydrophobicContact CE1-CB 4.36Å
584	R	81.9	Confident	68.2	Low	82 Å²	82	79.9 Å²	79.9	31%	0.309	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.3	172.2	-70.5	-171.4	174.2	-179.6	-2.7	111.6	I471 Q472 R582 W624	I471-R584 CarbonylContact C-O 3.52Å; I471-R584 VanDerWaalsContact CA-O 3.25Å; I471-R584 WeakPolarHBondContact CA-O 3.29Å; Q472-R584 HydrophobicContact CB-CB 4.5Å; Q472-R584 PolarHBondContact N-O 3.01Å; Q472-R584 PolarHBondContact O-N 2.98Å; R582-R584 PolarHBondContact O-N 2.67Å; R584-W624 PolarHBondContact NH2-O 2.9Å
585	L	84.4	Confident	65.7	Low	39 Å²	39	77.3 Å²	77.3	20%	0.204	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.8	167.5	-173.5	78.2	0	0	0	108.6	R470 I471 F542 F583	R470-L585 CarbonylContact O-C 3.42Å; R470-L585 WeakPolarHBondContact O-CA 3.35Å; I471-L585 HydrophobicContact CD1-CD1 4.18Å; I471-L585 HydrophobicContact CG1-CD1 3.48Å; I471-L585 VanDerWaalsContact CG1-CD1 3.48Å; F542-L585 HydrophobicContact CD2-CD1 4.23Å; F542-L585 HydrophobicContact CE2-CD1 4.41Å; F583-L585 HydrophobicContact CE1-CB 4.36Å
586	W	75.9	Confident	62.9	Low	92 Å²	92	74.3 Å²	74.3	35%	0.348	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.4	176.5	-50.9	-30.8	0	0	0	110	Q469 R470 Q472 T535	Q469-W586 WeakPolarHBondContact CA-O 3.43Å; R470-W586 HydrophobicContact CB-CE3 3.92Å; R470-W586 PolarHBondContact N-O 3.22Å; R470-W586 PolarHBondContact O-N 3.26Å; Q472-W586 HydrophobicContact CB-CZ2 4.35Å; Q472-W586 HydrophobicContact CG-CH2 3.6Å; Q472-W586 HydrophobicContact CG-CZ2 3.84Å; Q472-W586 HydrophobicContact CG-CZ3 4.11Å; T535-W586 HydrophobicContact CG2-CZ3 4.37Å
587	S	67.2	Low	60	Low	37 Å²	37	84.2 Å²	84.2	26%	0.259	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.2	167.6	176.6	0	0	0	0	107.7	D468 A589 T590	D468-S587 CarbonylContact O-C 3.6Å; D468-S587 VanDerWaalsContact O-CA 3.23Å; D468-S587 WeakPolarHBondContact O-CA 3.34Å; S587-A589 PolarHBondContact O-N 2.54Å; S587-T590 PolarHBondContact O-N 3.35Å; S587-T590 VanDerWaalsContact O-N 3.12Å; S587-T590 PolarHBondContact O-OG1 3.49Å
588	T	55	Low	57.1	Low	67 Å²	67	82.3 Å²	82.3	41%	0.411	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-62.5	-20.2	-179.9	24	0	0	0	0	113	D468 T590 I591	D468-T588 WeakPolarHBondContact CA-OG1 3.47Å; D468-T588 WeakPolarHBondContact CB-OG1 3.44Å; D468-T588 PolarHBondContact O-N 3.37Å; D468-T588 PolarHBondContact O-OG1 2.82Å; D468-T588 VanDerWaalsContact O-OG1 3.09Å; D468-T588 PolarHBondContact OD1-OG1 2.99Å; T588-T590 PolarHBondContact O-N 3.38Å; T588-T590 VanDerWaalsContact O-N 3.11Å; T588-I591 PolarHBondContact O-N 2.9Å
589	A	48.7	Very low	54.1	Low	63 Å²	63	87 Å²	87	52%	0.521	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-63.1	-16.2	173.2	0	0	0	0	0	114.6	S587	S587-A589 PolarHBondContact O-N 2.54Å
590	T	42.7	Very low	51.3	Low	90 Å²	90	90.8 Å²	90.8	55%	0.552	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-99.5	-10.9	-176.9	15.5	0	0	0	0	114.7	S587 T588	S587-T590 PolarHBondContact O-N 3.35Å; S587-T590 VanDerWaalsContact O-N 3.12Å; S587-T590 PolarHBondContact O-OG1 3.49Å; T588-T590 PolarHBondContact O-N 3.38Å; T588-T590 VanDerWaalsContact O-N 3.11Å
591	I	39.4	Very low	48.6	Very low	96 Å²	96	98.2 Å²	98.2	49%	0.492	50%	0.495	S	S	.	.	H	α-helix	trans	-87.2	-29.7	-176.8	-63.5	176.8	0	0	0	111.5	T588 R593 L595	T588-I591 PolarHBondContact O-N 2.9Å; I591-R593 VanDerWaalsContact C-N 3.35Å; I591-R593 PolarHBondContact O-N 2.83Å; I591-L595 HydrophobicContact CG2-CD1 4.42Å; I591-L595 PolarHBondContact O-N 2.89Å
592	D	31.4	Very low	46	Very low	127 Å²	127	100.8 Å²	100.8	68%	0.679	51%	0.514	S	S	*	.	H	α-helix	trans	-76.6	-14.6	179.5	-78.6	-18.7	0	0	0	114.8	S596	D592-S596 VanDerWaalsContact O-CB 3.32Å; D592-S596 WeakPolarHBondContact O-CB 3.45Å; D592-S596 PolarHBondContact O-OG 2.92Å
593	R	32.2	Very low	43.3	Very low	190 Å²	190	102 Å²	102	72%	0.717	53%	0.531	S	S	*	.	H	α-helix	trans	-90.1	-23.6	175.8	-77	-173	178.4	-175.1	-0.1	114.6	I591	I591-R593 VanDerWaalsContact C-N 3.35Å; I591-R593 PolarHBondContact O-N 2.83Å
594	N	29.4	Very low	40.4	Very low	115 Å²	115	108.5 Å²	108.5	62%	0.615	57%	0.566	S	S	*	*	H	α-helix	trans	-97.8	-27.1	179.3	-72.5	-3.8	0	0	0	112.6	T598	N594-T598 PolarHBondContact O-OG1 3.3Å
595	L	31.4	Very low	37.6	Very low	79 Å²	79	111.8 Å²	111.8	41%	0.414	60%	0.595	S	S	.	*	H	α-helix	trans	-78.4	-27.2	172.2	-118.1	86.8	0	0	0	113.5	I591 M599	I591-L595 HydrophobicContact CG2-CD1 4.42Å; I591-L595 PolarHBondContact O-N 2.89Å; L595-M599 HydrophobicContact CD2-CE 3.83Å; L595-M599 HydrophobicContact CG-CE 4.23Å
596	S	28.6	Very low	34.8	Very low	71 Å²	71	112.9 Å²	112.9	50%	0.497	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-19	176.7	56.1	0	0	0	0	113.6	D592	D592-S596 VanDerWaalsContact O-CB 3.32Å; D592-S596 WeakPolarHBondContact O-CB 3.45Å; D592-S596 PolarHBondContact O-OG 2.92Å
597	R	28.2	Very low	32.3	Very low	215 Å²	215	116.5 Å²	116.5	81%	0.811	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-9.1	174.2	-91.3	-177.4	163.8	137.8	-3	115
598	T	26.1	Very low	30.2	Very low	111 Å²	111	122 Å²	122	68%	0.681	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	2.1	-177.1	49.2	0	0	0	0	114.9	N594	N594-T598 PolarHBondContact O-OG1 3.3Å
599	M	24.4	Very low	28.8	Very low	114 Å²	114	126 Å²	126	56%	0.562	68%	0.677	S	S	*	*	S	Bend	trans	-122.9	14	173.1	-83	-155.3	-79.8	0	0	115.1	L595	L595-M599 HydrophobicContact CD2-CE 3.83Å; L595-M599 HydrophobicContact CG-CE 4.23Å
600	I	26.5	Very low	27.5	Very low	133 Å²	133	132.2 Å²	132.2	68%	0.682	70%	0.696	S	S	*	*	S	Bend	trans	-134.7	64.9	168.3	-49	176.4	0	0	0	108.1
601	H	25.9	Very low	26.6	Very low	173 Å²	173	135.5 Å²	135.5	80%	0.801	71%	0.707	S	S	*	*			trans	171.3	74.7	155	-90.7	-16.4	0	0	0	108.3
602	S	21.8	Very low	25.9	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	72%	0.721	S	S	*	*			trans	-120.5	75.1	148.7	72.1	0	0	0	0	107.3
603	T	23.2	Very low	25.5	Very low	110 Å²	110	139.1 Å²	139.1	68%	0.675	73%	0.729	S	S	*	*			trans	-129.8	99.1	158.9	46.6	0	0	0	0	106
604	N	23.4	Very low	25.2	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	74%	0.736	S	S	*	*			trans	53	150	150.1	-61.5	-21.3	0	0	0	120.1
605	V	24.8	Very low	25	Very low	151 Å²	151	132.2 Å²	132.2	92%	0.915	74%	0.744	S	S	*	*			trans	80.6	119	177.8	-163.4	0	0	0	0	111.5
606	G	24.3	Very low	24.7	Very low	63 Å²	63	138.1 Å²	138.1	65%	0.649	77%	0.766	S	S	*	*			cis	138.1	120.3	17.9	0	0	0	0	0	106.6
607	Q	23.7	Very low	24.4	Very low	168 Å²	168	141.7 Å²	141.7	79%	0.785	78%	0.78	S	S	*	*			trans	67.7	133.2	162.3	-82.1	172.8	-72.1	0	0	121.9
608	E	23.3	Very low	24.2	Very low	151 Å²	151	139 Å²	139	71%	0.706	78%	0.781	S	S	*	*			trans	75.1	125.8	143.8	-69	163.3	-154.6	0	0	116.3
609	D	24.8	Very low	24.1	Very low	151 Å²	151	138.4 Å²	138.4	81%	0.807	78%	0.781	S	S	*	*			cis	-149.3	150.2	31.1	-85.8	-46	0	0	0	113.8
610	E	23.1	Very low	24.1	Very low	194 Å²	194	139.8 Å²	139.8	91%	0.907	79%	0.791	S	S	*	*			trans	-68.2	130.9	159.9	-66.6	-174.9	145.2	0	0	110.7
611	M	23.5	Very low	23.8	Very low	159 Å²	159	138 Å²	138	78%	0.783	79%	0.79	S	S	*	*			trans	-155.7	131.1	147.6	-142	166.1	157.3	0	0	112.5
612	F	25.2	Very low	23.7	Very low	179 Å²	179	137.7 Å²	137.7	79%	0.785	78%	0.783	S	S	*	*			trans	90.6	84	171.1	-65.6	-76.5	0	0	0	119
613	S	23	Very low	23.8	Very low	121 Å²	121	140.4 Å²	140.4	85%	0.846	78%	0.782	S	S	*	*			trans	-81.9	146.4	137.8	77.9	0	0	0	0	110.3
614	G	23.8	Very low	24	Very low	84 Å²	84	141.2 Å²	141.2	87%	0.866	77%	0.773	S	S	*	*			trans	143.7	103.2	162.5	0	0	0	0	0	114.6
615	G	25.4	Very low	24	Very low	76 Å²	76	138.6 Å²	138.6	78%	0.784	76%	0.762	S	S	*	*			trans	149.2	77.4	161.7	0	0	0	0	0	115.3	N617	G615-N617 PolarHBondContact O-N 2.8Å
616	K	25.6	Very low	24	Very low	203 Å²	203	135 Å²	135	88%	0.883	74%	0.742	S	S	*	*			trans	-58.9	128.1	154.1	-77.8	174.8	174.1	174	0	107.9
617	N	23.3	Very low	24.1	Very low	146 Å²	146	139.6 Å²	139.6	78%	0.781	75%	0.747	S	S	*	*			trans	-179.4	128.9	136.3	-86	-11.9	0	0	0	110.4	G615	G615-N617 PolarHBondContact O-N 2.8Å
618	D	23.5	Very low	24.1	Very low	158 Å²	158	140.8 Å²	140.8	85%	0.845	75%	0.749	S	S	*	*			trans	30.5	94.6	148.3	-64.8	-21.4	0	0	0	118.4
619	S	23.1	Very low	24.1	Very low	98 Å²	98	143.9 Å²	143.9	69%	0.685	76%	0.755	S	S	*	*			trans	-168.4	127.6	136.3	40.6	0	0	0	0	110.4	S621	S619-S621 PolarHBondContact O-N 2.86Å
620	L	24.2	Very low	24	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	75%	0.746	S	S	*	*			trans	-62.7	81.4	160.8	-80.7	151.4	0	0	0	108.5	Y622	L620-Y622 HydrophobicContact CB-CE1 4.44Å; L620-Y622 HydrophobicContact CB-CE2 4.15Å; L620-Y622 HydrophobicContact CD2-CE1 4.04Å; L620-Y622 WeakPolarHBondContact O-CE2 3.43Å
621	S	21.8	Very low	23.9	Very low	95 Å²	95	144.9 Å²	144.9	66%	0.664	75%	0.745	S	S	*	*			trans	-94.2	100.7	170	50.8	0	0	0	0	108.6	S619 E623	S619-S621 PolarHBondContact O-N 2.86Å; S621-E623 PolarHBondContact O-N 3.19Å; S621-E623 VanDerWaalsContact O-N 3.09Å
622	Y	24	Very low	24	Very low	167 Å²	167	142 Å²	142	66%	0.655	74%	0.74	S	S	*	*			trans	-76.6	93.1	170	-37.7	-87.5	0	0	0	107.9	L620 W624	L620-Y622 HydrophobicContact CB-CE1 4.44Å; L620-Y622 HydrophobicContact CB-CE2 4.15Å; L620-Y622 HydrophobicContact CD2-CE1 4.04Å; L620-Y622 WeakPolarHBondContact O-CE2 3.43Å; Y622-W624 PolarHBondContact O-N 2.89Å
623	E	22.9	Very low	24.1	Very low	177 Å²	177	141 Å²	141	83%	0.827	74%	0.742	S	S	*	*			trans	-77.5	103.5	174.7	-155.1	174.2	-157.1	0	0	109.1	S621	S621-E623 PolarHBondContact O-N 3.19Å; S621-E623 VanDerWaalsContact O-N 3.09Å
624	W	27	Very low	24.2	Very low	128 Å²	128	143.3 Å²	143.3	49%	0.485	74%	0.739	S	S	.	*			trans	-98.2	91.4	172.1	-91.7	87.2	0	0	0	109.9	T519 R584 Y622	T519-W624 HydrophobicContact CG2-CH2 4.01Å; T519-W624 WeakPolarHBondContact OG1-CH2 3.28Å; T519-W624 WeakPolarHBondContact OG1-CZ2 3.36Å; R584-W624 PolarHBondContact NH2-O 2.9Å; Y622-W624 PolarHBondContact O-N 2.89Å
625	V	24.3	Very low	24.5	Very low	97 Å²	97	144.3 Å²	144.3	59%	0.588	73%	0.733	S	S	*	*			trans	-67.3	131.9	160.7	178.9	0	0	0	0	108	Q627	V625-Q627 VanDerWaalsContact C-N 3.31Å; V625-Q627 PolarHBondContact O-N 3.4Å
626	P	25.4	Very low	24.7	Very low	77 Å²	77	147.3 Å²	147.3	50%	0.5	73%	0.725	S	S	.	*			trans	-70.3	93.2	170	28.1	-27.1	0	0	0	108.1	F628	P626-F628 PolarHBondContact O-N 2.91Å
627	Q	25.1	Very low	25.1	Very low	159 Å²	159	142.8 Å²	142.8	74%	0.743	73%	0.725	S	S	*	*			trans	-68.9	86.6	161.2	-78.5	-168.1	-9.6	0	0	108	V625 R629	V625-Q627 VanDerWaalsContact C-N 3.31Å; V625-Q627 PolarHBondContact O-N 3.4Å; Q627-R629 PolarHBondContact O-N 3.24Å
628	F	23.4	Very low	26	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.842	72%	0.72	S	S	*	*			trans	-52.6	96.8	137.4	-87.9	-86	0	0	0	105.9	P626 R630	P626-F628 PolarHBondContact O-N 2.91Å; F628-R630 PolarHBondContact O-N 2.95Å
629	R	23.5	Very low	27.3	Very low	216 Å²	216	140.5 Å²	140.5	82%	0.815	71%	0.706	S	S	*	*			trans	-63.7	90.4	157.6	-74.9	-165.4	-158.3	-165.8	7.5	106.2	Q627 F631	Q627-R629 PolarHBondContact O-N 3.24Å; R629-F631 PolarHBondContact O-N 2.9Å
630	R	22.3	Very low	28.9	Very low	164 Å²	164	142.9 Å²	142.9	62%	0.619	70%	0.701	S	S	*	*			trans	-51.5	127.6	138	-78.8	-179.4	-178.4	167.5	0.4	105	F628 S632	F628-R630 PolarHBondContact O-N 2.95Å; R630-S632 PolarHBondContact O-N 3.14Å
631	F	22.5	Very low	30.9	Very low	203 Å²	203	143.7 Å²	143.7	89%	0.89	70%	0.699	S	S	*	*			trans	-54.4	90.5	157.1	-105.5	-96.5	0	0	0	106.4	R629 L633	R629-F631 PolarHBondContact O-N 2.9Å; F631-L633 PolarHBondContact O-N 2.87Å
632	S	25.2	Very low	32.8	Very low	99 Å²	99	147.9 Å²	147.9	69%	0.692	70%	0.7	S	S	*	*			trans	-89.6	94.9	163.6	64.4	0	0	0	0	106	R630 H634	R630-S632 PolarHBondContact O-N 3.14Å; S632-H634 PolarHBondContact O-N 2.99Å
633	L	26.7	Very low	34.6	Very low	156 Å²	156	142.2 Å²	142.2	82%	0.817	68%	0.681	S	S	*	*			trans	-63.1	76.6	155.9	-98.5	148.5	0	0	0	107.7	F631	F631-L633 PolarHBondContact O-N 2.87Å
634	H	26.4	Very low	36.8	Very low	170 Å²	170	142 Å²	142	79%	0.787	67%	0.673	S	S	*	*			trans	-174.9	130.4	152.6	-103.9	27.7	0	0	0	113.6	S632	S632-H634 PolarHBondContact O-N 2.99Å
635	S	29.9	Very low	38.9	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	67%	0.665	S	S	*	*			trans	53.5	104.9	162.6	62.7	0	0	0	0	119.1
636	F	28.4	Very low	41.3	Very low	140 Å²	140	137.5 Å²	137.5	61%	0.614	66%	0.659	S	S	*	*				43.1	116.4	81.6	-83.1	-77.7	0	0	0	114	R638 Y640	F636-R638 HydrophobicContact CD1-CB 4.19Å; F636-R638 HydrophobicContact CE1-CB 3.86Å; F636-Y640 HydrophobicContact CD1-CD2 4.41Å; F636-Y640 AromaticContact CD1-CE2 3.64Å; F636-Y640 HydrophobicContact CD1-CE2 3.64Å; F636-Y640 AromaticContact CE1-CD2 4Å; F636-Y640 HydrophobicContact CE1-CD2 4Å; F636-Y640 AromaticContact CE1-CE2 3Å; F636-Y640 HydrophobicContact CE1-CE2 3Å; F636-Y640 AromaticContact CE1-CZ 3.35Å; F636-Y640 VanDerWaalsContact CE1-OH 3.23Å; F636-Y640 WeakPolarHBondContact CE1-OH 3.41Å; F636-Y640 AromaticContact CZ-CE2 3.64Å; F636-Y640 HydrophobicContact CZ-CE2 3.64Å; F636-Y640 AromaticContact CZ-CZ 3.55Å; F636-Y640 WeakPolarHBondContact CZ-OH 3.38Å
637	A	34.4	Very low	43.6	Very low	108 Å²	108	141.3 Å²	141.3	89%	0.893	67%	0.668	S	S	*	*				-131.7	108.3	73.3	0	0	0	0	0	114.4
638	R	42.3	Very low	46.1	Very low	177 Å²	177	135.3 Å²	135.3	67%	0.668	65%	0.649	S	S	*	*			trans	-93.4	126.9	159.4	-152.4	177	-174.1	178.8	1.2	106.2	F636 Y640 D643	F636-R638 HydrophobicContact CD1-CB 4.19Å; F636-R638 HydrophobicContact CE1-CB 3.86Å; R638-Y640 VanDerWaalsContact C-N 3.32Å; R638-Y640 WeakPolarHBondContact O-CD2 3.34Å; R638-Y640 PolarHBondContact O-N 3.16Å; R638-D643 IonicContact NE-OD2 3.43Å
639	S	50.9	Low	48.9	Very low	78 Å²	78	130.5 Å²	130.5	55%	0.545	63%	0.631	S	S	.	*			trans	-68.9	90	176	141.6	0	0	0	0	109.4	F641 R642	S639-F641 PolarHBondContact O-N 3.22Å; S639-R642 PolarHBondContact O-N 3.32Å
640	Y	56.6	Low	51.7	Low	149 Å²	149	124 Å²	124	58%	0.584	62%	0.615	S	S	*	*	H	α-helix	trans	-58.8	-26.1	176.3	-82.5	-76.3	0	0	0	113.5	F636 R638 R642 D643 W644	F636-Y640 HydrophobicContact CD1-CD2 4.41Å; F636-Y640 AromaticContact CD1-CE2 3.64Å; F636-Y640 HydrophobicContact CD1-CE2 3.64Å; F636-Y640 AromaticContact CE1-CD2 4Å; F636-Y640 HydrophobicContact CE1-CD2 4Å; F636-Y640 AromaticContact CE1-CE2 3Å; F636-Y640 HydrophobicContact CE1-CE2 3Å; F636-Y640 AromaticContact CE1-CZ 3.35Å; F636-Y640 VanDerWaalsContact CE1-OH 3.23Å; F636-Y640 WeakPolarHBondContact CE1-OH 3.41Å; F636-Y640 AromaticContact CZ-CE2 3.64Å; F636-Y640 HydrophobicContact CZ-CE2 3.64Å; F636-Y640 AromaticContact CZ-CZ 3.55Å; F636-Y640 WeakPolarHBondContact CZ-OH 3.38Å; R638-Y640 VanDerWaalsContact C-N 3.32Å; R638-Y640 WeakPolarHBondContact O-CD2 3.34Å; R638-Y640 PolarHBondContact O-N 3.16Å; Y640-R642 PolarHBondContact O-N 3.15Å; Y640-D643 PolarHBondContact O-N 3.25Å; Y640-W644 WeakPolarHBondContact O-CB 3.38Å; Y640-W644 PolarHBondContact O-N 3.3Å
641	F	67.1	Low	54.6	Low	161 Å²	161	119.2 Å²	119.2	71%	0.706	61%	0.605	S	S	*	*	H	α-helix	trans	-62.8	-44.4	-177.8	-167.6	-98.9	0	0	0	112.2	S639 W644 V645	S639-F641 PolarHBondContact O-N 3.22Å; F641-W644 PolarHBondContact O-N 3.29Å; F641-V645 HydrophobicContact CD1-CG2 4.31Å; F641-V645 HydrophobicContact CE1-CG2 4.06Å; F641-V645 HydrophobicContact CZ-CG2 4.45Å; F641-V645 WeakPolarHBondContact O-CG2 3.38Å; F641-V645 PolarHBondContact O-N 2.7Å
642	R	61	Low	57.7	Low	182 Å²	182	111.2 Å²	111.2	69%	0.687	58%	0.58	S	S	*	*	H	α-helix	trans	-67.8	-37.1	178.1	-160.6	-178.9	77.5	-175.2	5.6	112.3	S639 Y640 V646	S639-R642 PolarHBondContact O-N 3.32Å; Y640-R642 PolarHBondContact O-N 3.15Å; R642-V646 WeakPolarHBondContact O-CG2 2.77Å; R642-V646 PolarHBondContact O-N 2.95Å; R642-V646 VanDerWaalsContact O-N 3.13Å
643	D	61.4	Low	60.8	Low	49 Å²	49	109.2 Å²	109.2	26%	0.262	57%	0.57	S	S	.	*	H	α-helix	trans	-70.5	-35.4	176.9	-69.8	-13	0	0	0	110.7	R638 Y640 V646 F647	R638-D643 IonicContact NE-OD2 3.43Å; Y640-D643 PolarHBondContact O-N 3.25Å; D643-V646 PolarHBondContact O-N 3.49Å; D643-F647 HydrophobicContact CB-CD2 4.46Å; D643-F647 VanDerWaalsContact O-CB 3.31Å; D643-F647 WeakPolarHBondContact O-CB 3.31Å; D643-F647 VanDerWaalsContact O-CD2 3.31Å; D643-F647 WeakPolarHBondContact O-CD2 3.4Å; D643-F647 PolarHBondContact O-N 2.94Å
644	W	68.4	Low	63.9	Low	173 Å²	173	106.5 Å²	106.5	66%	0.655	56%	0.555	S	S	*	*	H	α-helix	trans	-69.2	-38.7	174.8	-167.4	81.8	0	0	0	113	Y640 F641 G648	Y640-W644 WeakPolarHBondContact O-CB 3.38Å; Y640-W644 PolarHBondContact O-N 3.3Å; F641-W644 PolarHBondContact O-N 3.29Å; W644-G648 VanDerWaalsContact O-CA 3.29Å; W644-G648 WeakPolarHBondContact O-CA 2.78Å; W644-G648 PolarHBondContact O-N 2.79Å
645	V	71.9	Confident	67.1	Low	54 Å²	54	103.5 Å²	103.5	33%	0.327	54%	0.544	S	S	.	.	I	π-helix	trans	-62.3	-44.4	173.9	168.7	0	0	0	0	111.1	F641 I649	F641-V645 HydrophobicContact CD1-CG2 4.31Å; F641-V645 HydrophobicContact CE1-CG2 4.06Å; F641-V645 HydrophobicContact CZ-CG2 4.45Å; F641-V645 WeakPolarHBondContact O-CG2 3.38Å; F641-V645 PolarHBondContact O-N 2.7Å; V645-I649 HydrophobicContact CB-CD1 4.4Å; V645-I649 HydrophobicContact CG1-CD1 4.23Å; V645-I649 HydrophobicContact CG2-CD1 4.18Å; V645-I649 VanDerWaalsContact O-CB 3.27Å; V645-I649 WeakPolarHBondContact O-CB 3.48Å; V645-I649 PolarHBondContact O-N 2.71Å
646	V	74.1	Confident	70.1	Confident	76 Å²	76	103.6 Å²	103.6	46%	0.461	54%	0.536	S	S	.	.	I	π-helix	trans	-77.5	-38.5	-176.9	176.7	0	0	0	0	112.4	R642 D643 V650	R642-V646 WeakPolarHBondContact O-CG2 2.77Å; R642-V646 PolarHBondContact O-N 2.95Å; R642-V646 VanDerWaalsContact O-N 3.13Å; D643-V646 PolarHBondContact O-N 3.49Å; V646-V650 WeakPolarHBondContact O-CB 3.35Å
647	F	75.1	Confident	73.3	Confident	156 Å²	156	103.6 Å²	103.6	68%	0.684	54%	0.536	S	S	*	.	I	π-helix	trans	-93.2	-16.3	-177.4	-73.2	-80.3	0	0	0	114.5	D643 P651	D643-F647 HydrophobicContact CB-CD2 4.46Å; D643-F647 VanDerWaalsContact O-CB 3.31Å; D643-F647 WeakPolarHBondContact O-CB 3.31Å; D643-F647 VanDerWaalsContact O-CD2 3.31Å; D643-F647 WeakPolarHBondContact O-CD2 3.4Å; D643-F647 PolarHBondContact O-N 2.94Å; F647-P651 WeakPolarHBondContact O-CD 3.5Å; F647-P651 VanDerWaalsContact O-CG 3.24Å; F647-P651 WeakPolarHBondContact O-CG 3.44Å
648	G	77	Confident	76.1	Confident	34 Å²	34	102.3 Å²	102.3	35%	0.351	51%	0.514	S	S	.	.	I	π-helix	trans	-99.8	-53.1	176.6	0	0	0	0	0	112.9	W644 G652	W644-G648 VanDerWaalsContact O-CA 3.29Å; W644-G648 WeakPolarHBondContact O-CA 2.78Å; W644-G648 PolarHBondContact O-N 2.79Å; G648-G652 PolarHBondContact O-N 2.61Å
649	I	82.1	Confident	78.5	Confident	91 Å²	91	98.7 Å²	98.7	47%	0.467	51%	0.506	S	S	.	.	I	π-helix	trans	-75	-41.3	-172	-55.9	-177.7	0	0	0	111.3	V645 G652 A653	V645-I649 HydrophobicContact CB-CD1 4.4Å; V645-I649 HydrophobicContact CG1-CD1 4.23Å; V645-I649 HydrophobicContact CG2-CD1 4.18Å; V645-I649 VanDerWaalsContact O-CB 3.27Å; V645-I649 WeakPolarHBondContact O-CB 3.48Å; V645-I649 PolarHBondContact O-N 2.71Å; I649-G652 PolarHBondContact O-N 3.31Å; I649-A653 VanDerWaalsContact O-CB 3.32Å; I649-A653 WeakPolarHBondContact O-CB 3.48Å; I649-A653 PolarHBondContact O-N 2.83Å
650	V	82.1	Confident	80.4	Confident	78 Å²	78	100 Å²	100	47%	0.473	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-49	-178.3	-177.7	0	0	0	0	111.7	V646 G652 A653 I654	V646-V650 WeakPolarHBondContact O-CB 3.35Å; V650-G652 VanDerWaalsContact C-N 3.33Å; V650-G652 PolarHBondContact O-N 3.03Å; V650-A653 PolarHBondContact O-N 2.88Å; V650-I654 HydrophobicContact CG1-CD1 4.14Å; V650-I654 VanDerWaalsContact O-CG1 3.31Å; V650-I654 WeakPolarHBondContact O-CG1 3.39Å; V650-I654 PolarHBondContact O-N 2.79Å; V650-I654 VanDerWaalsContact O-N 3.11Å
651	P	83.1	Confident	82	Confident	64 Å²	64	95.8 Å²	95.8	42%	0.416	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-34.1	174.6	-22.8	37.8	0	0	0	112.7	F647 I654 L655	F647-P651 WeakPolarHBondContact O-CD 3.5Å; F647-P651 VanDerWaalsContact O-CG 3.24Å; F647-P651 WeakPolarHBondContact O-CG 3.44Å; P651-I654 PolarHBondContact O-N 3.1Å; P651-L655 WeakPolarHBondContact O-CB 3.47Å; P651-L655 PolarHBondContact O-N 3.43Å
652	G	88.1	Confident	82.7	Confident	35 Å²	35	92.4 Å²	92.4	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-41.5	175.1	0	0	0	0	0	113	G648 I649 V650 L655 L656	G648-G652 PolarHBondContact O-N 2.61Å; I649-G652 PolarHBondContact O-N 3.31Å; V650-G652 VanDerWaalsContact C-N 3.33Å; V650-G652 PolarHBondContact O-N 3.03Å; G652-L655 PolarHBondContact O-N 3.1Å; G652-L656 WeakPolarHBondContact O-CB 3.44Å; G652-L656 PolarHBondContact O-N 3.19Å
653	A	90.6	Very high	83.8	Confident	58 Å²	58	85.8 Å²	85.8	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-66.8	-39.9	175.6	0	0	0	0	0	112	I649 V650 L656 F657	I649-A653 VanDerWaalsContact O-CB 3.32Å; I649-A653 WeakPolarHBondContact O-CB 3.48Å; I649-A653 PolarHBondContact O-N 2.83Å; V650-A653 PolarHBondContact O-N 2.88Å; A653-L656 PolarHBondContact O-N 3.32Å; A653-F657 WeakPolarHBondContact O-CB 3.39Å; A653-F657 PolarHBondContact O-N 3.24Å
654	I	91.2	Very high	84.7	Confident	98 Å²	98	87.3 Å²	87.3	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-43.3	174.4	-66	166.3	0	0	0	110.4	V650 P651 L656 F657 I658	V650-I654 HydrophobicContact CG1-CD1 4.14Å; V650-I654 VanDerWaalsContact O-CG1 3.31Å; V650-I654 WeakPolarHBondContact O-CG1 3.39Å; V650-I654 PolarHBondContact O-N 2.79Å; V650-I654 VanDerWaalsContact O-N 3.11Å; P651-I654 PolarHBondContact O-N 3.1Å; I654-L656 PolarHBondContact O-N 3.12Å; I654-F657 PolarHBondContact O-N 3.03Å; I654-I658 HydrophobicContact CG2-CD1 3.96Å; I654-I658 VanDerWaalsContact O-CG1 3.32Å; I654-I658 WeakPolarHBondContact O-CG1 3.4Å; I654-I658 PolarHBondContact O-N 3.44Å
655	L	93.2	Very high	85.1	Confident	107 Å²	107	83.3 Å²	83.3	56%	0.56	47%	0.472	S	S	*	.	H	α-helix	trans	-62.7	-42.7	176.9	-168.5	76.3	0	0	0	111.4	P651 G652 I658 I659	P651-L655 WeakPolarHBondContact O-CB 3.47Å; P651-L655 PolarHBondContact O-N 3.43Å; G652-L655 PolarHBondContact O-N 3.1Å; L655-I658 PolarHBondContact O-N 3.47Å; L655-I659 HydrophobicContact CG-CD1 4.19Å; L655-I659 VanDerWaalsContact O-CG1 3.28Å; L655-I659 WeakPolarHBondContact O-CG1 3.49Å; L655-I659 PolarHBondContact O-N 3.28Å
656	L	94	Very high	85	Confident	108 Å²	108	86.4 Å²	86.4	57%	0.565	49%	0.486	S	S	*	.	H	α-helix	trans	-66	-38.5	178.6	-163.2	147.2	0	0	0	111.8	G652 A653 I654 I659 L660	G652-L656 WeakPolarHBondContact O-CB 3.44Å; G652-L656 PolarHBondContact O-N 3.19Å; A653-L656 PolarHBondContact O-N 3.32Å; I654-L656 PolarHBondContact O-N 3.12Å; L656-I659 PolarHBondContact O-N 3.42Å; L656-L660 HydrophobicContact CD2-CD1 3.81Å; L656-L660 HydrophobicContact CD2-CG 4.34Å; L656-L660 PolarHBondContact O-N 3.39Å
657	F	94.7	Very high	84.5	Confident	139 Å²	139	89.4 Å²	89.4	61%	0.61	49%	0.493	S	S	*	.	H	α-helix	trans	-62.4	-45	172.5	-177.2	-99	0	0	0	111.9	A653 I654 I659 L660 V661	A653-F657 WeakPolarHBondContact O-CB 3.39Å; A653-F657 PolarHBondContact O-N 3.24Å; I654-F657 PolarHBondContact O-N 3.03Å; F657-I659 VanDerWaalsContact C-N 3.32Å; F657-I659 PolarHBondContact O-N 3.33Å; F657-L660 PolarHBondContact O-N 3.42Å; F657-V661 HydrophobicContact CD1-CG2 4.25Å; F657-V661 HydrophobicContact CE1-CG2 3.88Å; F657-V661 HydrophobicContact CE2-CG2 4.45Å; F657-V661 HydrophobicContact CZ-CG2 3.99Å; F657-V661 WeakPolarHBondContact O-CG2 3.45Å; F657-V661 PolarHBondContact O-N 3.42Å
658	I	93.6	Very high	83.7	Confident	82 Å²	82	84.4 Å²	84.4	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-61.6	-40.9	175.8	-68.5	167	0	0	0	111	I654 L655 V661 L662	I654-I658 HydrophobicContact CG2-CD1 3.96Å; I654-I658 VanDerWaalsContact O-CG1 3.32Å; I654-I658 WeakPolarHBondContact O-CG1 3.4Å; I654-I658 PolarHBondContact O-N 3.44Å; L655-I658 PolarHBondContact O-N 3.47Å; I658-V661 PolarHBondContact O-N 2.99Å; I658-L662 HydrophobicContact CG2-CD1 3.75Å; I658-L662 HydrophobicContact CG2-CG 4.36Å; I658-L662 WeakPolarHBondContact O-CB 3.1Å; I658-L662 WeakPolarHBondContact O-CG 3.33Å; I658-L662 PolarHBondContact O-N 2.76Å
659	I	91.9	Very high	82.6	Confident	101 Å²	101	86.6 Å²	86.6	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-63.4	-41.3	176.4	-69.7	166	0	0	0	111.2	L655 L656 F657 S663	L655-I659 HydrophobicContact CG-CD1 4.19Å; L655-I659 VanDerWaalsContact O-CG1 3.28Å; L655-I659 WeakPolarHBondContact O-CG1 3.49Å; L655-I659 PolarHBondContact O-N 3.28Å; L656-I659 PolarHBondContact O-N 3.42Å; F657-I659 VanDerWaalsContact C-N 3.32Å; F657-I659 PolarHBondContact O-N 3.33Å; I659-S663 WeakPolarHBondContact O-CB 3.41Å; I659-S663 PolarHBondContact O-N 3.37Å
660	L	90.5	Very high	81.1	Confident	106 Å²	106	91.8 Å²	91.8	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-40.6	177	-78.3	172.1	0	0	0	112.5	L656 F657 S663 S664	L656-L660 HydrophobicContact CD2-CD1 3.81Å; L656-L660 HydrophobicContact CD2-CG 4.34Å; L656-L660 PolarHBondContact O-N 3.39Å; F657-L660 PolarHBondContact O-N 3.42Å; L660-S663 WeakPolarHBondContact O-CB 3.38Å; L660-S663 PolarHBondContact O-N 2.52Å; L660-S664 PolarHBondContact O-N 3.48Å
661	V	90.2	Very high	79.7	Confident	59 Å²	59	95 Å²	95	36%	0.358	52%	0.518	S	S	.	.	H	α-helix	trans	-66.4	-45.9	175.8	173.1	0	0	0	0	110.8	F657 I658 S663 S664 I665	F657-V661 HydrophobicContact CD1-CG2 4.25Å; F657-V661 HydrophobicContact CE1-CG2 3.88Å; F657-V661 HydrophobicContact CE2-CG2 4.45Å; F657-V661 HydrophobicContact CZ-CG2 3.99Å; F657-V661 WeakPolarHBondContact O-CG2 3.45Å; F657-V661 PolarHBondContact O-N 3.42Å; I658-V661 PolarHBondContact O-N 2.99Å; V661-S663 VanDerWaalsContact C-N 3.31Å; V661-S663 PolarHBondContact O-N 3.11Å; V661-S664 PolarHBondContact O-N 2.87Å; V661-S664 PolarHBondContact O-OG 3.47Å; V661-I665 HydrophobicContact CG1-CD1 3.8Å; V661-I665 VanDerWaalsContact O-CG1 3.27Å; V661-I665 WeakPolarHBondContact O-CG1 3.46Å; V661-I665 PolarHBondContact O-N 2.78Å
662	L	83.6	Confident	78.5	Confident	90 Å²	90	93.1 Å²	93.1	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-37.9	175.3	-78	168.6	0	0	0	111.6	I658 I665 L666	I658-L662 HydrophobicContact CG2-CD1 3.75Å; I658-L662 HydrophobicContact CG2-CG 4.36Å; I658-L662 WeakPolarHBondContact O-CB 3.1Å; I658-L662 WeakPolarHBondContact O-CG 3.33Å; I658-L662 PolarHBondContact O-N 2.76Å; L662-I665 PolarHBondContact O-N 3.34Å; L662-L666 HydrophobicContact CB-CD1 4.49Å; L662-L666 WeakPolarHBondContact O-CB 3.49Å; L662-L666 WeakPolarHBondContact O-CD1 3.35Å; L662-L666 WeakPolarHBondContact O-CG 3.01Å; L662-L666 PolarHBondContact O-N 3.3Å
663	S	83.5	Confident	77.1	Confident	43 Å²	43	96.3 Å²	96.3	30%	0.301	52%	0.515	S	S	.	.	H	α-helix	trans	-60.6	-48.1	173.6	-179.6	0	0	0	0	110.8	I659 L660 V661 I665 L666 F667	I659-S663 WeakPolarHBondContact O-CB 3.41Å; I659-S663 PolarHBondContact O-N 3.37Å; L660-S663 WeakPolarHBondContact O-CB 3.38Å; L660-S663 PolarHBondContact O-N 2.52Å; V661-S663 VanDerWaalsContact C-N 3.31Å; V661-S663 PolarHBondContact O-N 3.11Å; S663-I665 VanDerWaalsContact C-N 3.34Å; S663-I665 PolarHBondContact O-N 3.41Å; S663-L666 PolarHBondContact O-N 3.44Å; S663-F667 WeakPolarHBondContact O-CB 3.49Å; S663-F667 WeakPolarHBondContact O-CD2 3.39Å; S663-F667 PolarHBondContact O-N 3.01Å; S663-F667 VanDerWaalsContact OG-CD2 3.28Å; S663-F667 WeakPolarHBondContact OG-CD2 3.26Å; S663-F667 WeakPolarHBondContact OG-CE2 3.28Å
664	S	79.3	Confident	75.7	Confident	81 Å²	81	100.5 Å²	100.5	57%	0.566	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-38.1	179.2	93.1	0	0	0	0	112.5	L660 V661 G668	L660-S664 PolarHBondContact O-N 3.48Å; V661-S664 PolarHBondContact O-N 2.87Å; V661-S664 PolarHBondContact O-OG 3.47Å; S664-G668 PolarHBondContact O-N 3.4Å
665	I	77.9	Confident	74.4	Confident	90 Å²	90	103 Å²	103	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-67.5	-44.2	175.6	-65.2	166.5	0	0	0	110.6	V661 L662 S663 G668 C669	V661-I665 HydrophobicContact CG1-CD1 3.8Å; V661-I665 VanDerWaalsContact O-CG1 3.27Å; V661-I665 WeakPolarHBondContact O-CG1 3.46Å; V661-I665 PolarHBondContact O-N 2.78Å; L662-I665 PolarHBondContact O-N 3.34Å; S663-I665 VanDerWaalsContact C-N 3.34Å; S663-I665 PolarHBondContact O-N 3.41Å; I665-G668 PolarHBondContact O-N 2.75Å; I665-C669 VanDerWaalsContact O-CB 3.3Å; I665-C669 WeakPolarHBondContact O-CB 3.26Å; I665-C669 PolarHBondContact O-N 2.86Å; I665-C669 PolarHBondContact O-SG 2.78Å
666	L	69.1	Low	72.9	Confident	118 Å²	118	106.2 Å²	106.2	62%	0.618	53%	0.532	S	S	*	.	H	α-helix	trans	-73.3	-36.5	-177.9	-72.8	167.8	0	0	0	112.6	L662 S663 C669 R670	L662-L666 HydrophobicContact CB-CD1 4.49Å; L662-L666 WeakPolarHBondContact O-CB 3.49Å; L662-L666 WeakPolarHBondContact O-CD1 3.35Å; L662-L666 WeakPolarHBondContact O-CG 3.01Å; L662-L666 PolarHBondContact O-N 3.3Å; S663-L666 PolarHBondContact O-N 3.44Å; L666-C669 PolarHBondContact O-N 2.92Å; L666-R670 PolarHBondContact O-N 3.5Å
667	F	63	Low	71.6	Confident	140 Å²	140	104.4 Å²	104.4	61%	0.614	52%	0.523	S	S	*	.	H	α-helix	trans	-70.2	-40.2	172.2	-82.1	-74.9	0	0	0	111.3	S663 C669 R670	S663-F667 WeakPolarHBondContact O-CB 3.49Å; S663-F667 WeakPolarHBondContact O-CD2 3.39Å; S663-F667 PolarHBondContact O-N 3.01Å; S663-F667 VanDerWaalsContact OG-CD2 3.28Å; S663-F667 WeakPolarHBondContact OG-CD2 3.26Å; S663-F667 WeakPolarHBondContact OG-CE2 3.28Å; F667-C669 VanDerWaalsContact C-N 3.26Å; F667-C669 PolarHBondContact O-N 2.7Å; F667-R670 WeakPolarHBondContact O-CB 3.45Å; F667-R670 PolarHBondContact O-N 3.14Å
668	G	59.6	Low	70.4	Confident	50 Å²	50	106.7 Å²	106.7	52%	0.515	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-26.3	172.5	0	0	0	0	0	113.8	S664 I665	S664-G668 PolarHBondContact O-N 3.4Å; I665-G668 PolarHBondContact O-N 2.75Å
669	C	52.5	Low	69.4	Low	80 Å²	80	109.5 Å²	109.5	54%	0.541	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.3	175.7	-71.6	0	0	0	0	113.9	I665 L666 F667 G672	I665-C669 VanDerWaalsContact O-CB 3.3Å; I665-C669 WeakPolarHBondContact O-CB 3.26Å; I665-C669 PolarHBondContact O-N 2.86Å; I665-C669 PolarHBondContact O-SG 2.78Å; L666-C669 PolarHBondContact O-N 2.92Å; F667-C669 VanDerWaalsContact C-N 3.26Å; F667-C669 PolarHBondContact O-N 2.7Å; C669-G672 PolarHBondContact O-N 2.79Å
670	R	50.9	Low	68.3	Low	201 Å²	201	106.8 Å²	106.8	76%	0.758	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-27.1	178.6	-160.7	171.3	168.9	142.7	-3.5	112.3	L666 F667 G672	L666-R670 PolarHBondContact O-N 3.5Å; F667-R670 WeakPolarHBondContact O-CB 3.45Å; F667-R670 PolarHBondContact O-N 3.14Å; R670-G672 VanDerWaalsContact C-N 3.27Å; R670-G672 PolarHBondContact O-N 2.92Å
671	E	52.6	Low	67.7	Low	146 Å²	146	105.4 Å²	105.4	68%	0.682	52%	0.524	S	S	*	.	H	α-helix	trans	-67.2	-27.7	168.7	-117.3	108.7	-146.4	0	0	112.5	Q673 H674 W675	E671-Q673 VanDerWaalsContact C-N 3.33Å; E671-Q673 PolarHBondContact O-N 3.44Å; E671-H674 PolarHBondContact O-N 3.19Å; E671-W675 WeakPolarHBondContact O-CB 3.09Å; E671-W675 PolarHBondContact O-N 3.44Å
672	G	58	Low	67	Low	23 Å²	23	113.3 Å²	113.3	24%	0.237	55%	0.547	C	S	.	.	H	α-helix	trans	-72.1	-17.7	-168.7	0	0	0	0	0	115.8	C669 R670 R676	C669-G672 PolarHBondContact O-N 2.79Å; R670-G672 VanDerWaalsContact C-N 3.27Å; R670-G672 PolarHBondContact O-N 2.92Å; G672-R676 WeakPolarHBondContact O-CB 3.45Å; G672-R676 WeakPolarHBondContact O-CG 3.3Å; G672-R676 PolarHBondContact O-N 2.67Å; G672-R676 PolarHBondContact O-NE 2.89Å
673	Q	59.9	Low	66.8	Low	102 Å²	102	115.8 Å²	115.8	48%	0.477	56%	0.559	S	S	.	*	H	α-helix	trans	-85.5	-44.5	174.9	-168.8	164.7	-18.8	0	0	111.3	E671 W675 R676 D677	E671-Q673 VanDerWaalsContact C-N 3.33Å; E671-Q673 PolarHBondContact O-N 3.44Å; Q673-W675 VanDerWaalsContact C-N 3.27Å; Q673-W675 PolarHBondContact O-N 2.76Å; Q673-R676 PolarHBondContact O-N 2.79Å; Q673-D677 WeakPolarHBondContact O-CB 3.31Å; Q673-D677 PolarHBondContact O-N 2.8Å
674	H	61.5	Low	66.4	Low	146 Å²	146	118.3 Å²	118.3	68%	0.676	57%	0.566	S	S	*	*	H	α-helix	trans	-62.5	-36	175.4	-162.2	-91	0	0	0	111.8	E671 D677 Y678	E671-H674 PolarHBondContact O-N 3.19Å; H674-D677 PolarHBondContact O-N 3.42Å; H674-Y678 WeakPolarHBondContact O-CB 3.36Å; H674-Y678 PolarHBondContact O-N 2.8Å
675	W	63.7	Low	66.4	Low	151 Å²	151	117 Å²	117	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-73.8	-30.9	178	-144.8	83.2	0	0	0	113.6	E671 Q673 K679	E671-W675 WeakPolarHBondContact O-CB 3.09Å; E671-W675 PolarHBondContact O-N 3.44Å; Q673-W675 VanDerWaalsContact C-N 3.27Å; Q673-W675 PolarHBondContact O-N 2.76Å; W675-K679 HydrophobicContact CE3-CD 3.9Å; W675-K679 HydrophobicContact CE3-CG 4.49Å; W675-K679 HydrophobicContact CH2-CD 4.14Å; W675-K679 HydrophobicContact CZ3-CD 3.6Å; W675-K679 PolarHBondContact O-N 2.8Å
676	R	61.3	Low	66.5	Low	175 Å²	175	119.8 Å²	119.8	66%	0.66	57%	0.566	S	S	*	*	H	α-helix	trans	-72.5	-38.7	171.6	-84.6	-177.2	-90.6	-178.1	-10.9	111.9	G672 Q673 Y678 K679 T680	G672-R676 WeakPolarHBondContact O-CB 3.45Å; G672-R676 WeakPolarHBondContact O-CG 3.3Å; G672-R676 PolarHBondContact O-N 2.67Å; G672-R676 PolarHBondContact O-NE 2.89Å; Q673-R676 PolarHBondContact O-N 2.79Å; R676-Y678 VanDerWaalsContact C-N 3.31Å; R676-K679 PolarHBondContact O-N 3.41Å; R676-T680 PolarHBondContact O-N 3.19Å; R676-T680 VanDerWaalsContact O-N 3.14Å; R676-T680 PolarHBondContact O-OG1 2.84Å
677	D	65.9	Low	66.9	Low	70 Å²	70	120.2 Å²	120.2	37%	0.374	56%	0.564	S	S	.	*	H	α-helix	trans	-68.7	-30.8	175.2	-65.8	-17.4	0	0	0	111.6	Q673 H674 T680 L685	Q673-D677 WeakPolarHBondContact O-CB 3.31Å; Q673-D677 PolarHBondContact O-N 2.8Å; H674-D677 PolarHBondContact O-N 3.42Å; D677-T680 WeakPolarHBondContact CA-OG1 3.28Å; D677-T680 PolarHBondContact O-OG1 2.76Å; D677-L685 HydrophobicContact CB-CD1 3.93Å
678	Y	70	Confident	67.6	Low	187 Å²	187	120.7 Å²	120.7	73%	0.733	56%	0.563	S	S	*	*	H	α-helix	trans	-71.6	-34.8	173.7	-175.4	-97.6	0	0	0	113.4	H674 R676	H674-Y678 WeakPolarHBondContact O-CB 3.36Å; H674-Y678 PolarHBondContact O-N 2.8Å; R676-Y678 VanDerWaalsContact C-N 3.31Å
679	K	72.6	Confident	68.6	Low	140 Å²	140	121.3 Å²	121.3	61%	0.609	56%	0.557	S	S	*	*	H	α-helix	trans	-85.4	-14.9	179.9	-83.3	-168.5	169.9	-172.4	0	114.6	W675 R676	W675-K679 HydrophobicContact CE3-CD 3.9Å; W675-K679 HydrophobicContact CE3-CG 4.49Å; W675-K679 HydrophobicContact CH2-CD 4.14Å; W675-K679 HydrophobicContact CZ3-CD 3.6Å; W675-K679 PolarHBondContact O-N 2.8Å; R676-K679 PolarHBondContact O-N 3.41Å
680	T	69.7	Low	70	Confident	45 Å²	45	120.8 Å²	120.8	28%	0.276	55%	0.554	S	S	.	*	S	Bend	trans	-86.1	127.7	180	27.1	0	0	0	0	110.4	R676 D677 R682 L685	R676-T680 PolarHBondContact O-N 3.19Å; R676-T680 VanDerWaalsContact O-N 3.14Å; R676-T680 PolarHBondContact O-OG1 2.84Å; D677-T680 WeakPolarHBondContact CA-OG1 3.28Å; D677-T680 PolarHBondContact O-OG1 2.76Å; T680-R682 PolarHBondContact O-N 3.23Å; T680-L685 VanDerWaalsContact OG1-CD1 3.28Å; T680-L685 WeakPolarHBondContact OG1-CD1 3.28Å
681	P	77.2	Confident	71.4	Confident	77 Å²	77	115.9 Å²	115.9	50%	0.5	54%	0.542	S	S	.	.			trans	-60.2	139.6	178.8	21.3	-29.6	0	0	0	110.8	I683 Q684 L685	P681-I683 PolarHBondContact O-N 2.51Å; P681-Q684 HydrophobicContact CG-CB 4.43Å; P681-Q684 HydrophobicContact CG-CG 4.29Å; P681-Q684 PolarHBondContact O-N 3.48Å; P681-L685 PolarHBondContact O-N 3.2Å
682	R	76.2	Confident	72.6	Confident	225 Å²	225	114.9 Å²	114.9	85%	0.849	53%	0.532	S	S	*	.	H	α-helix	trans	-47.5	-34.5	-171	-100	-176.4	172.1	178.7	-1.6	115	T680 L685 M686	T680-R682 PolarHBondContact O-N 3.23Å; R682-L685 PolarHBondContact O-N 3.14Å; R682-M686 WeakPolarHBondContact O-CG 3.14Å; R682-M686 PolarHBondContact O-N 2.96Å; R682-M686 VanDerWaalsContact O-N 3.15Å
683	I	79.5	Confident	73.8	Confident	141 Å²	141	122.4 Å²	122.4	72%	0.723	55%	0.554	S	S	*	*	H	α-helix	trans	-67.2	-45.8	-179.5	-63.1	166	0	0	0	110.8	P681 L685 M686 E687	P681-I683 PolarHBondContact O-N 2.51Å; I683-L685 VanDerWaalsContact C-N 3.33Å; I683-L685 PolarHBondContact O-N 3.42Å; I683-M686 PolarHBondContact O-N 2.93Å; I683-E687 PolarHBondContact O-N 2.98Å
684	Q	74.9	Confident	75	Confident	97 Å²	97	120.1 Å²	120.1	45%	0.453	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-35.8	176.3	-72.8	179.7	-20.9	0	0	111.5	P681 M686 E687 Y688	P681-Q684 HydrophobicContact CG-CB 4.43Å; P681-Q684 HydrophobicContact CG-CG 4.29Å; P681-Q684 PolarHBondContact O-N 3.48Å; Q684-M686 VanDerWaalsContact C-N 3.3Å; Q684-M686 PolarHBondContact O-N 2.56Å; Q684-E687 PolarHBondContact O-N 3.34Å; Q684-Y688 WeakPolarHBondContact O-CD2 3.24Å; Q684-Y688 PolarHBondContact O-N 3.41Å
685	L	78.8	Confident	76	Confident	52 Å²	52	118.3 Å²	118.3	27%	0.272	54%	0.541	S	S	.	.	H	α-helix	trans	-61.4	-39.4	177	-156.4	90.8	0	0	0	111.8	D677 T680 P681 R682 I683 Y688 V689	D677-L685 HydrophobicContact CB-CD1 3.93Å; T680-L685 VanDerWaalsContact OG1-CD1 3.28Å; T680-L685 WeakPolarHBondContact OG1-CD1 3.28Å; P681-L685 PolarHBondContact O-N 3.2Å; R682-L685 PolarHBondContact O-N 3.14Å; I683-L685 VanDerWaalsContact C-N 3.33Å; I683-L685 PolarHBondContact O-N 3.42Å; L685-Y688 PolarHBondContact O-N 3.25Å; L685-V689 WeakPolarHBondContact O-CB 3.39Å; L685-V689 VanDerWaalsContact O-CG2 3.22Å; L685-V689 WeakPolarHBondContact O-CG2 3.3Å; L685-V689 PolarHBondContact O-N 3.43Å
686	M	79.2	Confident	76.7	Confident	150 Å²	150	119.5 Å²	119.5	74%	0.739	55%	0.545	S	S	*	.	H	α-helix	trans	-63	-42.5	177.1	-78.9	-87.2	178.7	0	0	112.4	R682 I683 Q684 V689 S690	R682-M686 WeakPolarHBondContact O-CG 3.14Å; R682-M686 PolarHBondContact O-N 2.96Å; R682-M686 VanDerWaalsContact O-N 3.15Å; I683-M686 PolarHBondContact O-N 2.93Å; Q684-M686 VanDerWaalsContact C-N 3.3Å; Q684-M686 PolarHBondContact O-N 2.56Å; M686-V689 PolarHBondContact O-N 3.09Å; M686-S690 PolarHBondContact O-N 2.99Å
687	E	78.4	Confident	77.7	Confident	126 Å²	126	116.4 Å²	116.4	59%	0.589	54%	0.538	S	S	*	.	H	α-helix	trans	-65.7	-41.7	174.8	-79.1	-175.3	156.3	0	0	112.5	I683 Q684 V689 S690 L691	I683-E687 PolarHBondContact O-N 2.98Å; Q684-E687 PolarHBondContact O-N 3.34Å; E687-V689 VanDerWaalsContact C-N 3.3Å; E687-V689 PolarHBondContact O-N 2.77Å; E687-S690 PolarHBondContact O-N 2.86Å; E687-S690 PolarHBondContact O-OG 2.88Å; E687-L691 WeakPolarHBondContact O-CB 3.36Å; E687-L691 PolarHBondContact O-N 3.19Å
688	Y	77.2	Confident	78.5	Confident	151 Å²	151	118.2 Å²	118.2	59%	0.592	55%	0.547	S	S	*	.	H	α-helix	trans	-64.3	-36.3	176.2	-84.6	-65.9	0	0	0	112.5	Q684 L685 R692	Q684-Y688 WeakPolarHBondContact O-CD2 3.24Å; Q684-Y688 PolarHBondContact O-N 3.41Å; L685-Y688 PolarHBondContact O-N 3.25Å; Y688-R692 WeakPolarHBondContact O-CB 3.45Å; Y688-R692 PolarHBondContact O-N 2.85Å
689	V	80.8	Confident	78.7	Confident	63 Å²	63	117.7 Å²	117.7	38%	0.382	54%	0.544	S	S	.	.	H	α-helix	trans	-69.2	-39.7	176.6	170.9	0	0	0	0	111.2	L685 M686 E687 R692 R693	L685-V689 WeakPolarHBondContact O-CB 3.39Å; L685-V689 VanDerWaalsContact O-CG2 3.22Å; L685-V689 WeakPolarHBondContact O-CG2 3.3Å; L685-V689 PolarHBondContact O-N 3.43Å; M686-V689 PolarHBondContact O-N 3.09Å; E687-V689 VanDerWaalsContact C-N 3.3Å; E687-V689 PolarHBondContact O-N 2.77Å; V689-R692 PolarHBondContact O-N 2.93Å; V689-R693 WeakPolarHBondContact O-CG 3.36Å; V689-R693 PolarHBondContact O-N 2.88Å
690	S	82.1	Confident	79.2	Confident	69 Å²	69	116.9 Å²	116.9	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-66.8	-44	177.4	73.5	0	0	0	0	111.8	M686 E687 R692 R693 S694	M686-S690 PolarHBondContact O-N 2.99Å; E687-S690 PolarHBondContact O-N 2.86Å; E687-S690 PolarHBondContact O-OG 2.88Å; S690-R692 PolarHBondContact O-N 3.17Å; S690-R693 PolarHBondContact O-N 2.82Å; S690-S694 PolarHBondContact O-N 3.27Å; S690-S694 PolarHBondContact O-OG 3.23Å
691	L	80.5	Confident	79.7	Confident	97 Å²	97	118.7 Å²	118.7	51%	0.508	55%	0.55	S	S	.	.	H	α-helix	trans	-61.8	-41.3	174.4	-92.3	158.4	0	0	0	112.9	E687 S694 Q695	E687-L691 WeakPolarHBondContact O-CB 3.36Å; E687-L691 PolarHBondContact O-N 3.19Å; L691-S694 PolarHBondContact O-N 2.93Å; L691-S694 PolarHBondContact O-OG 3.29Å; L691-Q695 WeakPolarHBondContact O-CB 3.42Å; L691-Q695 WeakPolarHBondContact O-CG 3.47Å; L691-Q695 PolarHBondContact O-N 3.15Å
692	R	78.3	Confident	79.6	Confident	125 Å²	125	118.8 Å²	118.8	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-66.9	-36.9	175.8	-85	179.7	173.7	178.3	-1.6	112.3	Y688 V689 S690 R696	Y688-R692 WeakPolarHBondContact O-CB 3.45Å; Y688-R692 PolarHBondContact O-N 2.85Å; V689-R692 PolarHBondContact O-N 2.93Å; S690-R692 PolarHBondContact O-N 3.17Å; R692-R696 WeakPolarHBondContact O-CB 3.48Å; R692-R696 WeakPolarHBondContact O-CG 3.13Å; R692-R696 PolarHBondContact O-N 3.2Å
693	R	82.1	Confident	79.5	Confident	182 Å²	182	113.6 Å²	113.6	69%	0.687	54%	0.537	S	S	*	.	H	α-helix	trans	-65.2	-44.7	175.3	-78.8	-179.4	-177	169.8	2	111.1	V689 S690 R696 H697	V689-R693 WeakPolarHBondContact O-CG 3.36Å; V689-R693 PolarHBondContact O-N 2.88Å; S690-R693 PolarHBondContact O-N 2.82Å; R693-R696 PolarHBondContact O-N 3Å; R693-H697 WeakPolarHBondContact O-CB 3.17Å; R693-H697 PolarHBondContact O-N 3.37Å
694	S	84.8	Confident	79.3	Confident	54 Å²	54	115.6 Å²	115.6	38%	0.378	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-42.1	177.8	66	0	0	0	0	112.1	S690 L691 R696 H697 L698	S690-S694 PolarHBondContact O-N 3.27Å; S690-S694 PolarHBondContact O-OG 3.23Å; L691-S694 PolarHBondContact O-N 2.93Å; L691-S694 PolarHBondContact O-OG 3.29Å; S694-R696 PolarHBondContact O-N 3.02Å; S694-H697 PolarHBondContact O-N 2.95Å; S694-L698 WeakPolarHBondContact O-CB 3.5Å; S694-L698 WeakPolarHBondContact O-CG 3.46Å; S694-L698 PolarHBondContact O-N 2.82Å
695	Q	83.7	Confident	79	Confident	108 Å²	108	119.5 Å²	119.5	51%	0.505	55%	0.546	S	S	.	.	H	α-helix	trans	-63.2	-41.1	175.1	-77.2	-173.9	-20.3	0	0	113.1	L691 H697 R699	L691-Q695 WeakPolarHBondContact O-CB 3.42Å; L691-Q695 WeakPolarHBondContact O-CG 3.47Å; L691-Q695 PolarHBondContact O-N 3.15Å; Q695-H697 VanDerWaalsContact C-N 3.35Å; Q695-R699 WeakPolarHBondContact O-CG 3.22Å; Q695-R699 PolarHBondContact O-N 3.22Å
696	R	77.5	Confident	78.2	Confident	176 Å²	176	121.8 Å²	121.8	66%	0.664	56%	0.558	S	S	*	*	H	α-helix	trans	-64.5	-41.6	175	-78.7	-179.9	-176.7	168.8	1	111.5	R692 R693 S694 R699 Q700	R692-R696 WeakPolarHBondContact O-CB 3.48Å; R692-R696 WeakPolarHBondContact O-CG 3.13Å; R692-R696 PolarHBondContact O-N 3.2Å; R693-R696 PolarHBondContact O-N 3Å; S694-R696 PolarHBondContact O-N 3.02Å; R696-R699 PolarHBondContact O-N 2.93Å; R696-Q700 PolarHBondContact O-N 3Å
697	H	83.5	Confident	77.4	Confident	110 Å²	110	118.4 Å²	118.4	51%	0.509	55%	0.549	S	S	.	.	H	α-helix	trans	-64.6	-44.9	178.4	-166.3	56.1	0	0	0	111.6	R693 S694 Q695 R699 Q700 L701	R693-H697 WeakPolarHBondContact O-CB 3.17Å; R693-H697 PolarHBondContact O-N 3.37Å; S694-H697 PolarHBondContact O-N 2.95Å; Q695-H697 VanDerWaalsContact C-N 3.35Å; H697-R699 PolarHBondContact O-N 3.07Å; H697-Q700 WeakPolarHBondContact O-CB 3.29Å; H697-Q700 PolarHBondContact O-N 3.4Å; H697-L701 WeakPolarHBondContact O-CG 3.28Å; H697-L701 PolarHBondContact O-N 3.37Å
698	L	81.1	Confident	76.4	Confident	108 Å²	108	116.3 Å²	116.3	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-58.7	-46.3	174.6	-78.1	169	0	0	0	111.8	S694 Q700 L701 T702	S694-L698 WeakPolarHBondContact O-CB 3.5Å; S694-L698 WeakPolarHBondContact O-CG 3.46Å; S694-L698 PolarHBondContact O-N 2.82Å; L698-Q700 VanDerWaalsContact C-N 3.32Å; L698-Q700 PolarHBondContact O-N 2.76Å; L698-L701 WeakPolarHBondContact O-CB 3.3Å; L698-L701 PolarHBondContact O-N 2.74Å; L698-L701 VanDerWaalsContact O-N 3.11Å; L698-T702 PolarHBondContact O-N 2.88Å; L698-T702 PolarHBondContact O-OG1 3.16Å
699	R	75.6	Confident	75.1	Confident	176 Å²	176	115.9 Å²	115.9	66%	0.664	55%	0.552	S	S	*	*	H	α-helix	trans	-61	-38.6	176.6	-75	179.5	-178.7	178.8	1	112.8	Q695 R696 H697 L701 T702 L703	Q695-R699 WeakPolarHBondContact O-CG 3.22Å; Q695-R699 PolarHBondContact O-N 3.22Å; R696-R699 PolarHBondContact O-N 2.93Å; H697-R699 PolarHBondContact O-N 3.07Å; R699-L701 VanDerWaalsContact C-N 3.35Å; R699-T702 PolarHBondContact O-N 2.79Å; R699-L703 WeakPolarHBondContact O-CB 3.08Å; R699-L703 WeakPolarHBondContact O-CG 3.43Å; R699-L703 PolarHBondContact O-N 2.71Å
700	Q	81.9	Confident	73.3	Confident	122 Å²	122	120.9 Å²	120.9	57%	0.57	57%	0.573	S	S	*	*	H	α-helix	trans	-64.7	-39.7	174.1	-78.4	-178.1	-24	0	0	111.9	R696 H697 L698 L703 R704	R696-Q700 PolarHBondContact O-N 3Å; H697-Q700 WeakPolarHBondContact O-CB 3.29Å; H697-Q700 PolarHBondContact O-N 3.4Å; L698-Q700 VanDerWaalsContact C-N 3.32Å; L698-Q700 PolarHBondContact O-N 2.76Å; Q700-L703 PolarHBondContact O-N 2.86Å; Q700-R704 WeakPolarHBondContact O-CB 3.37Å; Q700-R704 WeakPolarHBondContact O-CG 3.45Å; Q700-R704 PolarHBondContact O-N 3.41Å
701	L	80.5	Confident	71.3	Confident	84 Å²	84	122.8 Å²	122.8	44%	0.44	58%	0.582	S	S	.	*	H	α-helix	trans	-66.9	-39.6	175	-68.1	173	0	0	0	111.8	H697 L698 R699 R704 R705	H697-L701 WeakPolarHBondContact O-CG 3.28Å; H697-L701 PolarHBondContact O-N 3.37Å; L698-L701 WeakPolarHBondContact O-CB 3.3Å; L698-L701 PolarHBondContact O-N 2.74Å; L698-L701 VanDerWaalsContact O-N 3.11Å; R699-L701 VanDerWaalsContact C-N 3.35Å; L701-R704 PolarHBondContact O-N 3.23Å; L701-R705 WeakPolarHBondContact O-CB 3.45Å; L701-R705 PolarHBondContact O-N 3.16Å
702	T	75.6	Confident	69.3	Low	79 Å²	79	125 Å²	125	49%	0.485	59%	0.594	S	S	.	*	H	α-helix	trans	-64.7	-43.7	175.5	-30.3	0	0	0	0	111.4	L698 R699 R704 R705 L706	L698-T702 PolarHBondContact O-N 2.88Å; L698-T702 PolarHBondContact O-OG1 3.16Å; R699-T702 PolarHBondContact O-N 2.79Å; T702-R704 VanDerWaalsContact C-N 3.33Å; T702-R704 PolarHBondContact O-N 3.21Å; T702-R705 PolarHBondContact O-N 3.32Å; T702-L706 HydrophobicContact CG2-CD1 4.35Å; T702-L706 WeakPolarHBondContact O-CB 3.34Å; T702-L706 WeakPolarHBondContact O-CG 3.44Å; T702-L706 PolarHBondContact O-N 3.04Å
703	L	73.7	Confident	67.2	Low	116 Å²	116	125.6 Å²	125.6	61%	0.607	61%	0.614	S	S	*	*	H	α-helix	trans	-63.2	-39.5	175.4	-76.8	170	0	0	0	111.8	R699 Q700 S707	R699-L703 WeakPolarHBondContact O-CB 3.08Å; R699-L703 WeakPolarHBondContact O-CG 3.43Å; R699-L703 PolarHBondContact O-N 2.71Å; Q700-L703 PolarHBondContact O-N 2.86Å; L703-S707 WeakPolarHBondContact O-CB 3.41Å; L703-S707 PolarHBondContact O-N 2.71Å; L703-S707 PolarHBondContact O-OG 2.91Å; L703-S707 VanDerWaalsContact O-OG 3.11Å
704	R	75.8	Confident	64.9	Low	183 Å²	183	121.7 Å²	121.7	69%	0.691	62%	0.621	S	S	*	*	H	α-helix	trans	-63.4	-40.4	173.7	-80.5	-175.9	175.4	-175	-1.4	112.3	Q700 L701 T702 S707 S708	Q700-R704 WeakPolarHBondContact O-CB 3.37Å; Q700-R704 WeakPolarHBondContact O-CG 3.45Å; Q700-R704 PolarHBondContact O-N 3.41Å; L701-R704 PolarHBondContact O-N 3.23Å; T702-R704 VanDerWaalsContact C-N 3.33Å; T702-R704 PolarHBondContact O-N 3.21Å; R704-S707 VanDerWaalsContact CA-OG 3.31Å; R704-S707 WeakPolarHBondContact CA-OG 3.49Å; R704-S707 PolarHBondContact O-N 3.43Å; R704-S707 PolarHBondContact O-OG 3.06Å; R704-S708 PolarHBondContact O-N 3.44Å
705	R	67.6	Low	62.5	Low	179 Å²	179	123 Å²	123	68%	0.675	64%	0.635	S	S	*	*	H	α-helix	trans	-66.1	-45.9	177.5	-150.2	180	-139.8	168.4	3.4	111.7	L701 T702 S707 S708 E709	L701-R705 WeakPolarHBondContact O-CB 3.45Å; L701-R705 PolarHBondContact O-N 3.16Å; T702-R705 PolarHBondContact O-N 3.32Å; R705-S707 VanDerWaalsContact C-N 3.29Å; R705-S707 PolarHBondContact O-N 3.02Å; R705-S708 PolarHBondContact O-N 2.92Å; R705-S708 VanDerWaalsContact O-N 3.16Å; R705-S708 PolarHBondContact O-OG 3.03Å; R705-S708 VanDerWaalsContact O-OG 3.06Å; R705-E709 PolarHBondContact O-N 2.84Å
706	L	63.1	Low	60	Low	99 Å²	99	126.4 Å²	126.4	52%	0.518	66%	0.656	S	S	.	*	H	α-helix	trans	-63.9	-34.5	175	-71.8	167.2	0	0	0	112	T702	T702-L706 HydrophobicContact CG2-CD1 4.35Å; T702-L706 WeakPolarHBondContact O-CB 3.34Å; T702-L706 WeakPolarHBondContact O-CG 3.44Å; T702-L706 PolarHBondContact O-N 3.04Å
707	S	61.6	Low	57.8	Low	79 Å²	79	129 Å²	129	55%	0.552	67%	0.667	S	S	*	*	H	α-helix	trans	-75.7	-24.6	174.6	65.7	0	0	0	0	113.7	L703 R704 R705	L703-S707 WeakPolarHBondContact O-CB 3.41Å; L703-S707 PolarHBondContact O-N 2.71Å; L703-S707 PolarHBondContact O-OG 2.91Å; L703-S707 VanDerWaalsContact O-OG 3.11Å; R704-S707 VanDerWaalsContact CA-OG 3.31Å; R704-S707 WeakPolarHBondContact CA-OG 3.49Å; R704-S707 PolarHBondContact O-N 3.43Å; R704-S707 PolarHBondContact O-OG 3.06Å; R705-S707 VanDerWaalsContact C-N 3.29Å; R705-S707 PolarHBondContact O-N 3.02Å
708	S	56.7	Low	55.2	Low	82 Å²	82	127.9 Å²	127.9	57%	0.573	68%	0.677	S	S	*	*	H	α-helix	trans	-85.5	-19.4	176.5	73.2	0	0	0	0	113.3	R704 R705 M710	R704-S708 PolarHBondContact O-N 3.44Å; R705-S708 PolarHBondContact O-N 2.92Å; R705-S708 VanDerWaalsContact O-N 3.16Å; R705-S708 PolarHBondContact O-OG 3.03Å; R705-S708 VanDerWaalsContact O-OG 3.06Å; S708-M710 VanDerWaalsContact C-N 3.29Å
709	E	51.7	Low	52.7	Low	142 Å²	142	132.8 Å²	132.8	66%	0.664	69%	0.694	S	S	*	*	S	Bend	trans	-80.4	-6.5	174.3	-76.4	173.5	-178.7	0	0	113.1	R705 V711	R705-E709 PolarHBondContact O-N 2.84Å; E709-V711 PolarHBondContact O-N 3.05Å
710	M	43	Very low	50.6	Low	169 Å²	169	130.2 Å²	130.2	83%	0.833	70%	0.7	S	S	*	*			trans	-95.8	49	176.4	-70.9	-168.9	166	0	0	113.3	S708	S708-M710 VanDerWaalsContact C-N 3.29Å
711	V	38.9	Very low	48.2	Very low	109 Å²	109	131.9 Å²	131.9	66%	0.661	72%	0.718	S	S	*	*			trans	-133.9	92.7	168.6	-175.7	0	0	0	0	109.3	E709	E709-V711 PolarHBondContact O-N 3.05Å
712	D	38.7	Very low	45.8	Very low	142 Å²	142	131.1 Å²	131.1	76%	0.759	73%	0.73	S	S	*	*			trans	171.5	102.6	134.7	-92.7	-16.8	0	0	0	110.6	A714	D712-A714 VanDerWaalsContact C-N 3.33Å; D712-A714 PolarHBondContact O-N 3.04Å
713	P	34.4	Very low	43.6	Very low	138 Å²	138	137.1 Å²	137.1	90%	0.896	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	42.1	-175	37.2	-33.9	0	0	0	113.1
714	A	34.3	Very low	41.7	Very low	100 Å²	100	140 Å²	140	83%	0.826	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143	-4.9	-175.5	0	0	0	0	0	117.7	D712	D712-A714 VanDerWaalsContact C-N 3.33Å; D712-A714 PolarHBondContact O-N 3.04Å
715	A	33.3	Very low	39.3	Very low	82 Å²	82	136.9 Å²	136.9	68%	0.678	76%	0.762	S	S	*	*			trans	-150	86.8	-174.5	0	0	0	0	0	113.2
716	L	31.5	Very low	37.5	Very low	179 Å²	179	133.7 Å²	133.7	94%	0.937	76%	0.761	S	S	*	*			trans	-179.1	83.9	143.3	-101.9	140.9	0	0	0	110.5
717	Y	32	Very low	35.8	Very low	231 Å²	231	136.4 Å²	136.4	91%	0.906	77%	0.772	S	S	*	*			trans	-83.2	138.5	158.2	-102.2	-89.1	0	0	0	109.9
718	A	29.2	Very low	34.1	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	78%	0.782	S	S	*	*			trans	85.9	91.8	155.4	0	0	0	0	0	119.5
719	K	27.8	Very low	32.7	Very low	211 Å²	211	141.4 Å²	141.4	92%	0.917	80%	0.795	S	S	*	*				-160.9	116.8	111.9	-104.2	176.9	-177.7	-178.9	0	110.2
720	P	30.8	Very low	31.6	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	80%	0.801	S	S	*	*			trans	-112.8	137.4	-175.6	37.1	-26.1	0	0	0	114.1
721	V	31.7	Very low	30.7	Very low	157 Å²	157	139.5 Å²	139.5	95%	0.952	80%	0.802	S	S	*	*			trans	-150.2	128	152.9	-176.7	0	0	0	0	104
722	G	30.9	Very low	30.2	Very low	67 Å²	67	141.5 Å²	141.5	69%	0.691	81%	0.809	S	S	*	*			cis	-177.6	137.4	-3.8	0	0	0	0	0	108.1
723	K	28.5	Very low	29.7	Very low	205 Å²	205	142.3 Å²	142.3	89%	0.891	81%	0.813	S	S	*	*			trans	49	120.4	150.4	-65.4	-179.8	176.7	175.9	0	121.7
724	Q	33.5	Very low	29.3	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.822	81%	0.812	S	S	*	*				179.5	106.5	100.9	-93.6	-178.3	-2	0	0	109.4
725	T	27.3	Very low	28.9	Very low	119 Å²	119	138.8 Å²	138.8	73%	0.73	81%	0.811	S	S	*	*				61.9	122.5	101.3	56.7	0	0	0	0	113.6
726	V	28.7	Very low	28.4	Very low	111 Å²	111	140.3 Å²	140.3	67%	0.673	82%	0.817	S	S	*	*				-176.2	135.9	62.9	167.1	0	0	0	0	111.7
727	Q	28.1	Very low	28.2	Very low	157 Å²	157	137.9 Å²	137.9	73%	0.734	81%	0.814	S	S	*	*			trans	52.7	145.6	150	-66.7	168.9	-56.5	0	0	121.5
728	E	25.3	Very low	27.8	Very low	163 Å²	163	133.9 Å²	133.9	76%	0.762	81%	0.808	S	S	*	*			cis	-170.4	134	11.6	-120.2	161.9	-153.7	0	0	109.1
729	A	26.9	Very low	27.5	Very low	102 Å²	102	137.9 Å²	137.9	84%	0.843	82%	0.816	S	S	*	*			trans	-163.6	99.9	153.9	0	0	0	0	0	112.2
730	A	28.8	Very low	27.2	Very low	96 Å²	96	138.3 Å²	138.3	79%	0.793	81%	0.813	S	S	*	*			trans	35.5	107	146.4	0	0	0	0	0	123
731	M	25.2	Very low	27	Very low	176 Å²	176	141.8 Å²	141.8	87%	0.867	81%	0.812	S	S	*	*				36.4	113.1	112.8	-72.1	-89.9	-118.2	0	0	120.9
732	L	27.2	Very low	26.7	Very low	151 Å²	151	141.5 Å²	141.5	79%	0.791	80%	0.8	S	S	*	*				142	97.7	122.2	-84.8	158.1	0	0	0	112.8
733	N	28.6	Very low	26.7	Very low	159 Å²	159	144.4 Å²	144.4	85%	0.85	80%	0.8	S	S	*	*				-178.5	140	112	-91	-20.9	0	0	0	110.6
734	G	25.3	Very low	26.8	Very low	86 Å²	86	137.5 Å²	137.5	89%	0.887	79%	0.787	S	S	*	*			trans	-68.7	158.4	-162.6	0	0	0	0	0	116.5
735	G	27.2	Very low	26.5	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	79%	0.786	S	S	*	*			trans	172.1	107.7	169.4	0	0	0	0	0	108.5
736	S	22.8	Very low	26.5	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	79%	0.794	S	S	*	*			trans	-58.8	138.6	176.2	57.2	0	0	0	0	111.5
737	C	26.9	Very low	26.3	Very low	129 Å²	129	138.5 Å²	138.5	87%	0.872	80%	0.795	S	S	*	*			trans	-165.3	135.8	145	-98.9	0	0	0	0	110.6
738	D	23.9	Very low	26.3	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	80%	0.801	S	S	*	*			trans	-73.5	152.4	-168.7	-59	-62.6	0	0	0	114.4	Y740	D738-Y740 HydrophobicContact CB-CE2 4.31Å
739	L	21.5	Very low	26.3	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	80%	0.804	S	S	*	*			trans	-94.6	125.6	172.7	-94.3	147.3	0	0	0	110
740	Y	22.9	Very low	26.1	Very low	220 Å²	220	143.6 Å²	143.6	86%	0.863	81%	0.805	S	S	*	*			trans	-130.8	129	157.8	-72.8	-83.9	0	0	0	109.5	D738	D738-Y740 HydrophobicContact CB-CE2 4.31Å
741	Y	25.4	Very low	26	Very low	195 Å²	195	144.5 Å²	144.5	77%	0.765	81%	0.806	S	S	*	*			trans	-136.4	117	159.4	-171.9	-92.2	0	0	0	107.1	D743	Y741-D743 HydrophobicContact CE1-CB 3.75Å; Y741-D743 PolarHBondContact OH-OD2 3.02Å
742	E	27	Very low	26	Very low	151 Å²	151	144 Å²	144	71%	0.706	81%	0.805	S	S	*	*			trans	-124.4	129.3	175.7	-168.1	175.3	-147.7	0	0	106
743	D	29.9	Very low	26	Very low	129 Å²	129	145.6 Å²	145.6	69%	0.69	81%	0.809	S	S	*	*			trans	-137.1	118.7	173.4	-125.9	-9.9	0	0	0	108.8	Y741	Y741-D743 HydrophobicContact CE1-CB 3.75Å; Y741-D743 PolarHBondContact OH-OD2 3.02Å
744	G	29.9	Very low	26	Very low	59 Å²	59	143.5 Å²	143.5	61%	0.608	81%	0.806	S	S	*	*	S	Bend	trans	88.5	84.6	146.3	0	0	0	0	0	117.8
745	T	27.9	Very low	26.2	Very low	131 Å²	131	149.5 Å²	149.5	80%	0.804	83%	0.826	S	S	*	*	S	Bend	trans	80.1	79.2	145.7	69.6	0	0	0	0	118.4
746	T	28.2	Very low	26.2	Very low	146 Å²	146	153.1 Å²	153.1	90%	0.896	83%	0.827	S	S	*	*				167.3	92.3	108	36.2	0	0	0	0	109.7
747	E	24.5	Very low	26.4	Very low	151 Å²	151	155.2 Å²	155.2	71%	0.706	83%	0.829	S	S	*	*			trans	-82.4	129.6	163.2	-81.2	-166.2	125.2	0	0	109.8
748	K	27.4	Very low	26.3	Very low	194 Å²	194	156.7 Å²	156.7	84%	0.843	83%	0.827	S	S	*	*				-166.2	100.9	122.9	-105.3	170.4	-173.7	179.6	0	112.3
749	K	24.2	Very low	26.5	Very low	193 Å²	193	157.2 Å²	157.2	84%	0.839	83%	0.829	S	S	*	*			trans	49.9	108.1	131.4	-69.3	-178.6	175.2	-179.8	0	118.8
750	T	24.5	Very low	26.8	Very low	141 Å²	141	156.4 Å²	156.4	87%	0.865	83%	0.826	S	S	*	*			trans	-125.3	118.6	140.1	39.3	0	0	0	0	109.6
751	S	25.9	Very low	27	Very low	116 Å²	116	152.2 Å²	152.2	81%	0.811	82%	0.823	S	S	*	*			trans	-73.2	131.1	173.2	51.4	0	0	0	0	110.3
752	I	25.4	Very low	27.2	Very low	164 Å²	164	149.1 Å²	149.1	84%	0.841	83%	0.827	S	S	*	*			trans	-109	112.1	163.1	-62.6	174.5	0	0	0	106.7
753	Q	27.6	Very low	27.2	Very low	185 Å²	185	149 Å²	149	86%	0.864	84%	0.837	S	S	*	*			trans	-79.8	131.1	159.2	-86.2	-176.3	-24.8	0	0	108.2
754	S	26.7	Very low	27	Very low	115 Å²	115	150.7 Å²	150.7	80%	0.804	85%	0.849	S	S	*	*			trans	-68.9	121.3	170.6	53.7	0	0	0	0	111.2
755	T	31.2	Very low	26.7	Very low	213 Å²	213	159 Å²	159	100%	1.307	87%	0.871	S	S	*	*			trans	-139.4	0	135.6	45.6	0	0	0	0	107.9

Retrieved 755 of 755 residues in 374.9 ms (Link to these results)

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