G4VKM6_SCHMA Loading...

Putative gtp binding protein

AlphaFold DB , UniProt , Accession G4VKM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 730 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	35.9	Very low	44.8	Very low	236 Å²	236	94.7 Å²	94.7	100%	1.163	57%	0.565	S	S	*	*				0	109.5	0	-70.9	-106.5	-165.9	0	0	104.6	G3	M1-G3 PolarHBondContact O-N 3.42Å
2	D	31.2	Very low	46.7	Very low	155 Å²	155	90.2 Å²	90.2	83%	0.829	54%	0.541	S	S	*	.			trans	-66.4	120.1	-143.5	-54.6	-36.9	0	0	0	112.9	N4	D2-N4 PolarHBondContact O-N 3.14Å
3	G	36.4	Very low	49.1	Very low	80 Å²	80	88 Å²	88	83%	0.825	53%	0.525	S	S	*	.			trans	-71.1	64.8	169	0	0	0	0	0	110.1	M1 P5	M1-G3 PolarHBondContact O-N 3.42Å; G3-P5 VanDerWaalsContact O-CD 3.22Å; G3-P5 WeakPolarHBondContact O-CD 3.45Å
4	N	39.4	Very low	51.3	Low	95 Å²	95	83.4 Å²	83.4	51%	0.508	50%	0.495	S	S	.	.			trans	-67.8	116.4	177	-160.6	-2.8	0	0	0	107.8	D2 S6 T7	D2-N4 PolarHBondContact O-N 3.14Å; N4-S6 PolarHBondContact ND2-OG 2.84Å; N4-S6 VanDerWaalsContact ND2-OG 3.14Å; N4-S6 PolarHBondContact O-N 2.94Å; N4-S6 PolarHBondContact OD1-OG 2.96Å; N4-T7 PolarHBondContact O-N 3.37Å; N4-T7 PolarHBondContact O-OG1 2.81Å
5	P	43.4	Very low	53.2	Low	98 Å²	98	83.6 Å²	83.6	64%	0.636	48%	0.484	S	S	*	.	H	α-helix	trans	-58.5	-14.7	-178.8	20.7	-32.1	0	0	0	113.3	G3 T7	G3-P5 VanDerWaalsContact O-CD 3.22Å; G3-P5 WeakPolarHBondContact O-CD 3.45Å; P5-T7 VanDerWaalsContact C-N 3.28Å; P5-T7 PolarHBondContact O-N 3.03Å
6	S	40.7	Very low	55	Low	58 Å²	58	79.7 Å²	79.7	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-30.8	172.5	59	0	0	0	0	114	N4 S9	N4-S6 PolarHBondContact ND2-OG 2.84Å; N4-S6 VanDerWaalsContact ND2-OG 3.14Å; N4-S6 PolarHBondContact O-N 2.94Å; N4-S6 PolarHBondContact OD1-OG 2.96Å; S6-S9 PolarHBondContact O-N 3.33Å; S6-S9 PolarHBondContact O-OG 2.66Å
7	T	46.5	Very low	56.8	Low	55 Å²	55	75.8 Å²	75.8	34%	0.337	44%	0.438	S	S	.	.	H	α-helix	trans	-73.3	-33.4	-176.1	-42.4	0	0	0	0	111.9	N4 P5 S9 I10	N4-T7 PolarHBondContact O-N 3.37Å; N4-T7 PolarHBondContact O-OG1 2.81Å; P5-T7 VanDerWaalsContact C-N 3.28Å; P5-T7 PolarHBondContact O-N 3.03Å; T7-S9 VanDerWaalsContact C-N 3.31Å; T7-S9 PolarHBondContact O-N 3.03Å; T7-I10 PolarHBondContact O-N 2.99Å
8	L	45.2	Very low	58.4	Low	116 Å²	116	73.9 Å²	73.9	61%	0.607	43%	0.426	S	S	*	.	H	α-helix	trans	-68	-30.8	175.2	-81.8	157.2	0	0	0	112.3	I10 L11 Y31	L8-I10 PolarHBondContact O-N 3.3Å; L8-L11 PolarHBondContact O-N 2.72Å; L8-Y31 HydrophobicContact CD2-CE2 4.12Å
9	S	52.9	Low	59.8	Low	71 Å²	71	75.4 Å²	75.4	50%	0.497	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-24.4	178.2	78.6	0	0	0	0	113.1	S6 T7 L11 S12	S6-S9 PolarHBondContact O-N 3.33Å; S6-S9 PolarHBondContact O-OG 2.66Å; T7-S9 VanDerWaalsContact C-N 3.31Å; T7-S9 PolarHBondContact O-N 3.03Å; S9-L11 VanDerWaalsContact C-N 3.35Å; S9-L11 PolarHBondContact O-N 3.33Å; S9-S12 WeakPolarHBondContact O-CB 3.27Å; S9-S12 PolarHBondContact O-N 3.24Å; S9-S12 PolarHBondContact O-OG 3.09Å
10	I	57.6	Low	61.1	Low	36 Å²	36	72.6 Å²	72.6	19%	0.185	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-70.2	-32.1	-172.8	-64.1	171.2	0	0	0	111.4	T7 L8 V16 R27 I28	T7-I10 PolarHBondContact O-N 2.99Å; L8-I10 PolarHBondContact O-N 3.3Å; I10-V16 HydrophobicContact CG2-CG1 4.28Å; I10-V16 WeakPolarHBondContact O-CG2 3.22Å; I10-R27 HydrophobicContact CD1-CB 3.92Å; I10-R27 HydrophobicContact CD1-CG 4.19Å; I10-I28 HydrophobicContact CG2-CG1 4.46Å
11	L	64.1	Low	62.5	Low	42 Å²	42	73.2 Å²	73.2	22%	0.22	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-92.6	0.6	-179.8	-75.4	163.8	0	0	0	114	L8 S9 D13 V16 F17 Y31	L8-L11 PolarHBondContact O-N 2.72Å; S9-L11 VanDerWaalsContact C-N 3.35Å; S9-L11 PolarHBondContact O-N 3.33Å; L11-D13 PolarHBondContact O-N 3.29Å; L11-V16 HydrophobicContact CD2-CB 4.5Å; L11-V16 HydrophobicContact CD2-CG1 3.81Å; L11-F17 HydrophobicContact CD2-CE2 3.74Å; L11-F17 HydrophobicContact CD2-CZ 4.08Å; L11-Y31 HydrophobicContact CD1-CD1 3.04Å; L11-Y31 HydrophobicContact CD1-CD2 3.88Å; L11-Y31 HydrophobicContact CD1-CE1 3.04Å; L11-Y31 HydrophobicContact CD1-CE2 3.87Å; L11-Y31 HydrophobicContact CD1-CG 3.47Å; L11-Y31 VanDerWaalsContact CD1-CG 3.47Å; L11-Y31 VanDerWaalsContact CD1-CZ 3.47Å; L11-Y31 HydrophobicContact CG-CD1 4.48Å
12	S	67.7	Low	65	Low	40 Å²	40	69 Å²	69	28%	0.28	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-67.7	-17.1	176.7	68.1	0	0	0	0	112.6	S9 G50 D51	S9-S12 WeakPolarHBondContact O-CB 3.27Å; S9-S12 PolarHBondContact O-N 3.24Å; S9-S12 PolarHBondContact O-OG 3.09Å; S12-G50 CarbonylContact O-C 3.58Å; S12-G50 VanDerWaalsContact O-C 3.24Å; S12-G50 WeakPolarHBondContact O-CA 3.32Å; S12-D51 PolarHBondContact O-N 2.63Å
13	D	78.1	Confident	67.7	Low	62 Å²	62	65.8 Å²	65.8	33%	0.332	38%	0.379	S	S	.	.	S	Bend	trans	-95.5	132.8	-179.1	-178.8	13.1	0	0	0	111.4	L11 Y15 V16 Q53	L11-D13 PolarHBondContact O-N 3.29Å; D13-Y15 PolarHBondContact O-N 2.89Å; D13-Y15 WeakPolarHBondContact OD1-CD2 3.43Å; D13-Y15 PolarHBondContact OD1-N 3.27Å; D13-V16 HydrophobicContact CB-CG2 3.62Å; D13-V16 WeakPolarHBondContact O-CB 3.49Å; D13-V16 WeakPolarHBondContact O-CG2 3.39Å; D13-V16 PolarHBondContact O-N 3Å; D13-Q53 PolarHBondContact OD1-NE2 2.86Å; D13-Q53 PolarHBondContact OD1-OE1 2.75Å
14	K	79.8	Confident	70.1	Confident	24 Å²	24	66 Å²	66	10%	0.104	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.3	-179.6	79.5	-170.3	177.1	157.3	0	113	I49 Q53 C54 G56 L57	K14-I49 WeakPolarHBondContact CA-O 3.27Å; K14-Q53 HydrophobicContact CD-CB 4.13Å; K14-Q53 VanDerWaalsContact CD-OE1 3.31Å; K14-C54 WeakPolarHBondContact CD-O 2.8Å; K14-C54 PolarHBondContact NZ-O 3.24Å; K14-G56 PolarHBondContact NZ-O 3.4Å; K14-L57 HydrophobicContact CG-CD2 4.09Å
15	Y	79.3	Confident	72.6	Confident	86 Å²	86	63 Å²	63	34%	0.337	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7.2	-179.6	-62.4	-74.3	0	0	0	113.7	D13 F17 L18 L57	D13-Y15 PolarHBondContact O-N 2.89Å; D13-Y15 WeakPolarHBondContact OD1-CD2 3.43Å; D13-Y15 PolarHBondContact OD1-N 3.27Å; Y15-F17 VanDerWaalsContact C-N 3.26Å; Y15-F17 PolarHBondContact O-N 3.29Å; Y15-L18 HydrophobicContact CD1-CD2 3.86Å; Y15-L18 WeakPolarHBondContact O-CA 3.35Å; Y15-L18 WeakPolarHBondContact O-CB 3.4Å; Y15-L18 PolarHBondContact O-N 3.35Å; Y15-L57 HydrophobicContact CD1-CD2 3.43Å; Y15-L57 VanDerWaalsContact CD1-CD2 3.43Å; Y15-L57 HydrophobicContact CE1-CD2 3.3Å; Y15-L57 HydrophobicContact CG-CD2 4.35Å
16	V	82.5	Confident	74.8	Confident	21 Å²	21	61.5 Å²	61.5	13%	0.127	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.6	-170.4	171.2	0	0	0	0	113.9	I10 L11 D13 L18 I28	I10-V16 HydrophobicContact CG2-CG1 4.28Å; I10-V16 WeakPolarHBondContact O-CG2 3.22Å; L11-V16 HydrophobicContact CD2-CB 4.5Å; L11-V16 HydrophobicContact CD2-CG1 3.81Å; D13-V16 HydrophobicContact CB-CG2 3.62Å; D13-V16 WeakPolarHBondContact O-CB 3.49Å; D13-V16 WeakPolarHBondContact O-CG2 3.39Å; D13-V16 PolarHBondContact O-N 3Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-I28 HydrophobicContact CG1-CD1 3.54Å; V16-I28 HydrophobicContact CG1-CG1 3.77Å; V16-I28 WeakPolarHBondContact O-CD1 3.34Å
17	F	85	Confident	77.1	Confident	14 Å²	14	64 Å²	64	6%	0.061	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.5	175.6	-69.3	-92.7	0	0	0	113	L11 Y15 N19 I28 L32 L45 L47 T68 A69 L72	L11-F17 HydrophobicContact CD2-CE2 3.74Å; L11-F17 HydrophobicContact CD2-CZ 4.08Å; Y15-F17 VanDerWaalsContact C-N 3.26Å; Y15-F17 PolarHBondContact O-N 3.29Å; F17-N19 PolarHBondContact O-N 3.46Å; F17-I28 HydrophobicContact CE1-CG2 3.82Å; F17-I28 HydrophobicContact CZ-CG2 3.9Å; F17-L32 HydrophobicContact CE1-CD1 4.46Å; F17-L45 HydrophobicContact CE1-CD1 4.31Å; F17-L45 HydrophobicContact CE1-CD2 4.39Å; F17-L45 HydrophobicContact CE2-CD1 3.96Å; F17-L45 HydrophobicContact CZ-CD1 3.56Å; F17-L45 HydrophobicContact CZ-CD2 4.43Å; F17-L47 HydrophobicContact CB-CD2 4.27Å; F17-L47 HydrophobicContact CD1-CD2 4.09Å; F17-L47 HydrophobicContact CD2-CD2 3.62Å; F17-L47 HydrophobicContact CE1-CD2 4.36Å; F17-L47 HydrophobicContact CE2-CD2 3.93Å; F17-L47 HydrophobicContact CG-CD2 3.72Å; F17-L47 HydrophobicContact CZ-CD2 4.3Å; F17-T68 HydrophobicContact CD1-CG2 4.36Å; F17-T68 WeakPolarHBondContact O-CB 3.46Å; F17-T68 WeakPolarHBondContact O-CG2 3.05Å; F17-T68 PolarHBondContact O-OG1 3Å; F17-A69 HydrophobicContact CD1-CB 4.35Å; F17-L72 HydrophobicContact CD1-CD1 3.82Å; F17-L72 HydrophobicContact CE1-CD1 3.51Å
18	L	86.4	Confident	79.2	Confident	41 Å²	41	61.4 Å²	61.4	22%	0.215	32%	0.315	C	S	.	.	S	Bend	trans	-81.4	101.8	-179.6	-167.5	73.7	0	0	0	109.7	Y15 V16 E61 Q64	Y15-L18 HydrophobicContact CD1-CD2 3.86Å; Y15-L18 WeakPolarHBondContact O-CA 3.35Å; Y15-L18 WeakPolarHBondContact O-CB 3.4Å; Y15-L18 PolarHBondContact O-N 3.35Å; V16-L18 VanDerWaalsContact C-N 3.33Å; L18-E61 HydrophobicContact CD1-CB 3.81Å; L18-E61 HydrophobicContact CD1-CG 4.11Å; L18-E61 WeakPolarHBondContact CD1-O 3.15Å; L18-E61 HydrophobicContact CD2-CB 4.48Å; L18-E61 HydrophobicContact CD2-CG 4.1Å; L18-Q64 HydrophobicContact CD1-CB 3.75Å; L18-Q64 VanDerWaalsContact CD1-OE1 3.31Å
19	N	84.6	Confident	81.4	Confident	103 Å²	103	59 Å²	59	55%	0.551	30%	0.299	S	S	*	.	S	Bend	trans	46.8	57.1	177	-57.3	-43.4	0	0	0	114.5	F17 Q64	F17-N19 PolarHBondContact O-N 3.46Å; N19-Q64 PolarHBondContact ND2-OE1 3.13Å
20	P	86.4	Confident	83.2	Confident	18 Å²	18	59.8 Å²	59.8	12%	0.117	30%	0.298	C	S	.	.			trans	-63.4	143.8	178	28.7	-35.8	0	0	0	110.9	Q24 F25 I28 T68	P20-Q24 HydrophobicContact CB-CB 3.71Å; P20-F25 HydrophobicContact CG-CB 4.45Å; P20-F25 HydrophobicContact CG-CD2 4.27Å; P20-I28 HydrophobicContact CB-CD1 4.09Å; P20-I28 HydrophobicContact CG-CD1 4.43Å; P20-T68 HydrophobicContact CG-CG2 3.54Å
21	N	89	Confident	84.7	Confident	86 Å²	86	60.6 Å²	60.6	46%	0.46	30%	0.299	S	S	.	.			trans	-67.9	166.4	166.7	68.1	34.5	0	0	0	110.8	D23 Q24 F25	N21-D23 VanDerWaalsContact C-N 3.28Å; N21-D23 PolarHBondContact O-N 2.79Å; N21-D23 PolarHBondContact OD1-N 3.17Å; N21-Q24 WeakPolarHBondContact O-CB 3.35Å; N21-Q24 PolarHBondContact O-N 3.37Å; N21-Q24 VanDerWaalsContact O-N 3.15Å; N21-Q24 VanDerWaalsContact OD1-CB 3.27Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.44Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.46Å; N21-Q24 PolarHBondContact OD1-N 2.92Å; N21-F25 WeakPolarHBondContact O-CB 3.15Å; N21-F25 PolarHBondContact O-N 2.63Å
22	E	89.1	Confident	85.9	Confident	149 Å²	149	58.9 Å²	58.9	70%	0.696	29%	0.29	S	S	*	.	H	α-helix	trans	-57.3	-37.7	-176.1	-71.1	-62.8	148.5	0	0	113.4	F25 V26	E22-F25 PolarHBondContact O-N 3.32Å; E22-V26 WeakPolarHBondContact O-CG2 3.38Å; E22-V26 PolarHBondContact O-N 3.42Å
23	D	88.2	Confident	86.9	Confident	86 Å²	86	59.5 Å²	59.5	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-68.4	-44.4	177.3	-177.3	24.4	0	0	0	111.4	N21 F25 V26 R27	N21-D23 VanDerWaalsContact C-N 3.28Å; N21-D23 PolarHBondContact O-N 2.79Å; N21-D23 PolarHBondContact OD1-N 3.17Å; D23-F25 VanDerWaalsContact C-N 3.33Å; D23-F25 PolarHBondContact O-N 3.33Å; D23-V26 PolarHBondContact O-N 3.36Å; D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.25Å; D23-R27 PolarHBondContact O-N 3.48Å; D23-R27 IonicContact OD1-CZ 3.72Å; D23-R27 IonicContact OD1-NE 2.99Å; D23-R27 PolarHBondContact OD1-NE 2.64Å; D23-R27 IonicContact OD1-NH2 3.62Å; D23-R27 IonicContact OD2-CZ 3.23Å; D23-R27 VanDerWaalsContact OD2-CZ 3.23Å; D23-R27 IonicContact OD2-NE 3.3Å; D23-R27 PolarHBondContact OD2-NE 3.12Å; D23-R27 IonicContact OD2-NH2 2.66Å; D23-R27 PolarHBondContact OD2-NH2 3.02Å
24	Q	87.5	Confident	87.3	Confident	84 Å²	84	61.2 Å²	61.2	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-43.3	172.7	-75.2	169.9	-26.9	0	0	111.1	P20 N21 V26 R27 I28	P20-Q24 HydrophobicContact CB-CB 3.71Å; N21-Q24 WeakPolarHBondContact O-CB 3.35Å; N21-Q24 PolarHBondContact O-N 3.37Å; N21-Q24 VanDerWaalsContact O-N 3.15Å; N21-Q24 VanDerWaalsContact OD1-CB 3.27Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.44Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.46Å; N21-Q24 PolarHBondContact OD1-N 2.92Å; Q24-V26 PolarHBondContact O-N 3.18Å; Q24-R27 PolarHBondContact O-N 3.39Å; Q24-I28 WeakPolarHBondContact O-CB 3.42Å; Q24-I28 WeakPolarHBondContact O-CD1 3.47Å; Q24-I28 WeakPolarHBondContact O-CG1 3.35Å; Q24-I28 PolarHBondContact O-N 2.87Å
25	F	90.1	Very high	87.6	Confident	32 Å²	32	63 Å²	63	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-45.7	177.6	-173.4	-88.8	0	0	0	111.4	P20 N21 E22 D23 I28 K29 T68 R71 L72	P20-F25 HydrophobicContact CG-CB 4.45Å; P20-F25 HydrophobicContact CG-CD2 4.27Å; N21-F25 WeakPolarHBondContact O-CB 3.15Å; N21-F25 PolarHBondContact O-N 2.63Å; E22-F25 PolarHBondContact O-N 3.32Å; D23-F25 VanDerWaalsContact C-N 3.33Å; D23-F25 PolarHBondContact O-N 3.33Å; F25-I28 PolarHBondContact O-N 3.02Å; F25-K29 VanDerWaalsContact O-CB 3.26Å; F25-K29 WeakPolarHBondContact O-CB 3.36Å; F25-K29 PolarHBondContact O-N 3.36Å; F25-T68 HydrophobicContact CD2-CG2 4.44Å; F25-R71 HydrophobicContact CE2-CB 4.1Å; F25-R71 HydrophobicContact CZ-CB 4.23Å; F25-L72 HydrophobicContact CD1-CD2 4.16Å; F25-L72 HydrophobicContact CD2-CD2 3.79Å; F25-L72 HydrophobicContact CD2-CG 4.11Å; F25-L72 HydrophobicContact CE1-CD2 3.87Å; F25-L72 HydrophobicContact CE2-CD2 3.5Å; F25-L72 VanDerWaalsContact CE2-CD2 3.5Å; F25-L72 HydrophobicContact CE2-CG 3.55Å; F25-L72 HydrophobicContact CG-CD2 4.12Å; F25-L72 HydrophobicContact CZ-CD2 3.53Å; F25-L72 HydrophobicContact CZ-CG 3.88Å
26	V	90.8	Very high	88	Confident	67 Å²	67	59 Å²	59	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-40	176.3	172.4	0	0	0	0	111.7	E22 D23 Q24 K29 N30	E22-V26 WeakPolarHBondContact O-CG2 3.38Å; E22-V26 PolarHBondContact O-N 3.42Å; D23-V26 PolarHBondContact O-N 3.36Å; Q24-V26 PolarHBondContact O-N 3.18Å; V26-K29 WeakPolarHBondContact O-CB 3.44Å; V26-K29 PolarHBondContact O-N 2.76Å; V26-N30 VanDerWaalsContact O-CG 3.26Å; V26-N30 PolarHBondContact O-N 3.2Å; V26-N30 PolarHBondContact O-ND2 2.78Å
27	R	88.7	Confident	88	Confident	110 Å²	110	61.8 Å²	61.8	42%	0.415	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-45.3	177.6	-68.9	176.6	-162.9	-167.1	0.2	112.3	I10 D23 Q24 K29 N30 Y31	I10-R27 HydrophobicContact CD1-CB 3.92Å; I10-R27 HydrophobicContact CD1-CG 4.19Å; D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.25Å; D23-R27 PolarHBondContact O-N 3.48Å; D23-R27 IonicContact OD1-CZ 3.72Å; D23-R27 IonicContact OD1-NE 2.99Å; D23-R27 PolarHBondContact OD1-NE 2.64Å; D23-R27 IonicContact OD1-NH2 3.62Å; D23-R27 IonicContact OD2-CZ 3.23Å; D23-R27 VanDerWaalsContact OD2-CZ 3.23Å; D23-R27 IonicContact OD2-NE 3.3Å; D23-R27 PolarHBondContact OD2-NE 3.12Å; D23-R27 IonicContact OD2-NH2 2.66Å; D23-R27 PolarHBondContact OD2-NH2 3.02Å; Q24-R27 PolarHBondContact O-N 3.39Å; R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.1Å; R27-N30 PolarHBondContact O-N 2.84Å; R27-Y31 PolarHBondContact O-N 3.24Å
28	I	89.6	Confident	87.7	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-43.6	175.6	-63.1	160.1	0	0	0	109.6	I10 V16 F17 P20 Q24 F25 Y31 L32 L72	I10-I28 HydrophobicContact CG2-CG1 4.46Å; V16-I28 HydrophobicContact CG1-CD1 3.54Å; V16-I28 HydrophobicContact CG1-CG1 3.77Å; V16-I28 WeakPolarHBondContact O-CD1 3.34Å; F17-I28 HydrophobicContact CE1-CG2 3.82Å; F17-I28 HydrophobicContact CZ-CG2 3.9Å; P20-I28 HydrophobicContact CB-CD1 4.09Å; P20-I28 HydrophobicContact CG-CD1 4.43Å; Q24-I28 WeakPolarHBondContact O-CB 3.42Å; Q24-I28 WeakPolarHBondContact O-CD1 3.47Å; Q24-I28 WeakPolarHBondContact O-CG1 3.35Å; Q24-I28 PolarHBondContact O-N 2.87Å; F25-I28 PolarHBondContact O-N 3.02Å; I28-Y31 PolarHBondContact O-N 2.82Å; I28-L32 HydrophobicContact CG2-CD1 4.01Å; I28-L32 HydrophobicContact CG2-CG 4.34Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.3Å; I28-L72 HydrophobicContact CB-CD1 4.37Å; I28-L72 HydrophobicContact CG2-CD1 3.53Å; I28-L72 HydrophobicContact CG2-CD2 4.33Å
29	K	91.4	Very high	87.3	Confident	65 Å²	65	64.5 Å²	64.5	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-50.8	175.9	179.5	-174.3	171.6	178.1	0	112	F25 V26 R27 Y31 L32 D33 L72 S75 L76	F25-K29 VanDerWaalsContact O-CB 3.26Å; F25-K29 WeakPolarHBondContact O-CB 3.36Å; F25-K29 PolarHBondContact O-N 3.36Å; V26-K29 WeakPolarHBondContact O-CB 3.44Å; V26-K29 PolarHBondContact O-N 2.76Å; R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.1Å; K29-Y31 VanDerWaalsContact C-N 3.29Å; K29-Y31 PolarHBondContact O-N 3.41Å; K29-L32 PolarHBondContact O-N 3.23Å; K29-D33 PolarHBondContact O-N 3.48Å; K29-L72 HydrophobicContact CB-CD2 3.9Å; K29-S75 WeakPolarHBondContact CE-OG 3.4Å; K29-S75 PolarHBondContact NZ-OG 3.49Å; K29-L76 HydrophobicContact CD-CD2 4.49Å; K29-L76 HydrophobicContact CG-CD2 3.64Å; K29-L76 HydrophobicContact CG-CG 4.05Å
30	N	91	Very high	87	Confident	88 Å²	88	61.1 Å²	61.1	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-38.7	-179.6	-71.1	-17.3	0	0	0	111.8	V26 R27 D33 I34	V26-N30 VanDerWaalsContact O-CG 3.26Å; V26-N30 PolarHBondContact O-N 3.2Å; V26-N30 PolarHBondContact O-ND2 2.78Å; R27-N30 PolarHBondContact O-N 2.84Å; N30-D33 PolarHBondContact O-N 3.49Å; N30-I34 WeakPolarHBondContact O-CG1 3.21Å; N30-I34 PolarHBondContact O-N 2.8Å
31	Y	88.8	Confident	86.9	Confident	54 Å²	54	60.7 Å²	60.7	21%	0.212	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-50.8	174.5	177.3	-84.2	0	0	0	111.7	L8 L11 R27 I28 K29 D33 I34 E35	L8-Y31 HydrophobicContact CD2-CE2 4.12Å; L11-Y31 HydrophobicContact CD1-CD1 3.04Å; L11-Y31 HydrophobicContact CD1-CD2 3.88Å; L11-Y31 HydrophobicContact CD1-CE1 3.04Å; L11-Y31 HydrophobicContact CD1-CE2 3.87Å; L11-Y31 HydrophobicContact CD1-CG 3.47Å; L11-Y31 VanDerWaalsContact CD1-CG 3.47Å; L11-Y31 VanDerWaalsContact CD1-CZ 3.47Å; L11-Y31 HydrophobicContact CG-CD1 4.48Å; R27-Y31 PolarHBondContact O-N 3.24Å; I28-Y31 PolarHBondContact O-N 2.82Å; K29-Y31 VanDerWaalsContact C-N 3.29Å; K29-Y31 PolarHBondContact O-N 3.41Å; Y31-D33 PolarHBondContact O-N 3.44Å; Y31-I34 PolarHBondContact O-N 2.75Å; Y31-I34 VanDerWaalsContact O-N 3.14Å; Y31-E35 HydrophobicContact CD1-CG 3.93Å; Y31-E35 HydrophobicContact CE1-CB 4.45Å; Y31-E35 HydrophobicContact CE1-CG 3.35Å; Y31-E35 HydrophobicContact CE2-CG 4.38Å; Y31-E35 PolarHBondContact O-N 3.15Å
32	L	89.7	Confident	86.9	Confident	6 Å²	6	57 Å²	57	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-33.1	-179.9	-72.5	176.9	0	0	0	112	F17 I28 K29 E35 L36 L45 L72 L76 L200	F17-L32 HydrophobicContact CE1-CD1 4.46Å; I28-L32 HydrophobicContact CG2-CD1 4.01Å; I28-L32 HydrophobicContact CG2-CG 4.34Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.3Å; K29-L32 PolarHBondContact O-N 3.23Å; L32-E35 PolarHBondContact O-N 3.44Å; L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.5Å; L32-L36 PolarHBondContact O-N 2.75Å; L32-L45 HydrophobicContact CD2-CD1 4.48Å; L32-L72 HydrophobicContact CD1-CB 4.35Å; L32-L72 HydrophobicContact CD1-CD1 4.19Å; L32-L76 HydrophobicContact CB-CD1 3.63Å; L32-L76 HydrophobicContact CD1-CD1 4.28Å; L32-L200 HydrophobicContact CB-CD2 4.5Å; L32-L200 HydrophobicContact CD1-CD2 4.44Å
33	D	89.8	Confident	86.9	Confident	53 Å²	53	50.8 Å²	50.8	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-65.6	-41.6	175.4	-157.3	34.3	0	0	0	111.9	K29 N30 Y31 L36 D37 L76 R202	K29-D33 PolarHBondContact O-N 3.48Å; N30-D33 PolarHBondContact O-N 3.49Å; Y31-D33 PolarHBondContact O-N 3.44Å; D33-L36 PolarHBondContact O-N 2.86Å; D33-D37 PolarHBondContact O-N 3.48Å; D33-L76 HydrophobicContact CB-CD2 3.82Å; D33-R202 IonicContact OD1-CZ 2.7Å; D33-R202 VanDerWaalsContact OD1-CZ 3.29Å; D33-R202 IonicContact OD1-NH1 3.25Å; D33-R202 PolarHBondContact OD1-NH1 3.22Å; D33-R202 IonicContact OD1-NH2 3.49Å; D33-R202 PolarHBondContact OD1-NH2 2.93Å
34	I	86.3	Confident	87	Confident	97 Å²	97	49.4 Å²	49.4	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-45.8	174.5	-66.7	165	0	0	0	110.7	N30 Y31 L36 D37 N38	N30-I34 WeakPolarHBondContact O-CG1 3.21Å; N30-I34 PolarHBondContact O-N 2.8Å; Y31-I34 PolarHBondContact O-N 2.75Å; Y31-I34 VanDerWaalsContact O-N 3.14Å; I34-L36 VanDerWaalsContact C-N 3.35Å; I34-L36 PolarHBondContact O-N 3.45Å; I34-D37 PolarHBondContact O-N 3.3Å; I34-N38 WeakPolarHBondContact O-CB 3.48Å; I34-N38 VanDerWaalsContact O-CG 3.25Å; I34-N38 PolarHBondContact O-N 3.02Å; I34-N38 PolarHBondContact O-ND2 2.75Å
35	E	85.7	Confident	87.2	Confident	63 Å²	63	46.1 Å²	46.1	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-39.2	178.2	-75.1	-58.4	112.2	0	0	112.3	Y31 L32 D37 N38 G39 C43	Y31-E35 HydrophobicContact CD1-CG 3.93Å; Y31-E35 HydrophobicContact CE1-CB 4.45Å; Y31-E35 HydrophobicContact CE1-CG 3.35Å; Y31-E35 HydrophobicContact CE2-CG 4.38Å; Y31-E35 PolarHBondContact O-N 3.15Å; L32-E35 PolarHBondContact O-N 3.44Å; E35-D37 VanDerWaalsContact C-N 3.34Å; E35-N38 PolarHBondContact O-N 2.94Å; E35-G39 PolarHBondContact O-N 3.41Å; E35-C43 HydrophobicContact CB-CB 4.43Å
36	L	86.8	Confident	87.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-43.4	171.7	-77.4	170.4	0	0	0	111	L32 D33 I34 G39 Q40 G41 C43 L76 L200	L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.5Å; L32-L36 PolarHBondContact O-N 2.75Å; D33-L36 PolarHBondContact O-N 2.86Å; I34-L36 VanDerWaalsContact C-N 3.35Å; I34-L36 PolarHBondContact O-N 3.45Å; L36-G39 CarbonylContact O-C 3.6Å; L36-G39 PolarHBondContact O-N 2.88Å; L36-Q40 PolarHBondContact O-N 3.33Å; L36-Q40 VanDerWaalsContact O-N 3.1Å; L36-G41 WeakPolarHBondContact O-CA 3.27Å; L36-G41 PolarHBondContact O-N 2.64Å; L36-C43 HydrophobicContact CD2-CB 4.02Å; L36-C43 HydrophobicContact CG-CB 4.41Å; L36-L76 HydrophobicContact CD1-CD1 4.25Å; L36-L200 HydrophobicContact CD1-CD2 3.78Å; L36-L200 HydrophobicContact CD1-CG 4.28Å; L36-L200 HydrophobicContact CD2-CB 4.35Å; L36-L200 HydrophobicContact CD2-CD2 4.1Å; L36-L200 HydrophobicContact CD2-CG 4.04Å; L36-L200 HydrophobicContact CG-CD2 4.07Å
37	D	83.3	Confident	87.1	Confident	81 Å²	81	45.1 Å²	45.1	43%	0.433	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-40.8	179	-76.3	-5.8	0	0	0	112.5	D33 I34 E35 G39 Q40 R202	D33-D37 PolarHBondContact O-N 3.48Å; I34-D37 PolarHBondContact O-N 3.3Å; E35-D37 VanDerWaalsContact C-N 3.34Å; D37-G39 VanDerWaalsContact C-N 3.33Å; D37-G39 PolarHBondContact O-N 3.08Å; D37-Q40 PolarHBondContact O-N 3.18Å; D37-Q40 PolarHBondContact O-NE2 2.89Å; D37-Q40 VanDerWaalsContact O-NE2 3.17Å; D37-R202 IonicContact OD1-CZ 3.34Å; D37-R202 IonicContact OD1-NH2 2.63Å; D37-R202 PolarHBondContact OD1-NH2 3.43Å
38	N	79.5	Confident	86.9	Confident	98 Å²	98	40 Å²	40	52%	0.524	21%	0.205	S	C	.	.	H	α-helix	trans	-61.1	-42.4	173.3	-70.6	-21.2	0	0	0	111.3	I34 E35 Q40	I34-N38 WeakPolarHBondContact O-CB 3.48Å; I34-N38 VanDerWaalsContact O-CG 3.25Å; I34-N38 PolarHBondContact O-N 3.02Å; I34-N38 PolarHBondContact O-ND2 2.75Å; E35-N38 PolarHBondContact O-N 2.94Å; N38-Q40 VanDerWaalsContact C-N 3.27Å; N38-Q40 PolarHBondContact O-N 3.08Å
39	G	77.4	Confident	86.7	Confident	14 Å²	14	42.7 Å²	42.7	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	11.7	177.4	0	0	0	0	0	115.4	E35 L36 D37 G41 E42	E35-G39 PolarHBondContact O-N 3.41Å; L36-G39 CarbonylContact O-C 3.6Å; L36-G39 PolarHBondContact O-N 2.88Å; D37-G39 VanDerWaalsContact C-N 3.33Å; D37-G39 PolarHBondContact O-N 3.08Å; G39-G41 PolarHBondContact O-N 2.85Å; G39-E42 WeakPolarHBondContact CA-O 3.49Å; G39-E42 PolarHBondContact O-N 2.84Å
40	Q	78.9	Confident	86.1	Confident	31 Å²	31	40 Å²	40	15%	0.145	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	32.9	-178.7	-65.1	-64.6	-78.5	0	0	114.5	L36 D37 N38 V210 P438	L36-Q40 PolarHBondContact O-N 3.33Å; L36-Q40 VanDerWaalsContact O-N 3.1Å; D37-Q40 PolarHBondContact O-N 3.18Å; D37-Q40 PolarHBondContact O-NE2 2.89Å; D37-Q40 VanDerWaalsContact O-NE2 3.17Å; N38-Q40 VanDerWaalsContact C-N 3.27Å; N38-Q40 PolarHBondContact O-N 3.08Å; Q40-V210 WeakPolarHBondContact O-CG2 3.49Å; Q40-P438 VanDerWaalsContact NE2-CD 3.27Å
41	G	83.7	Confident	85.5	Confident	9 Å²	9	42 Å²	42	9%	0.093	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	6.1	179.1	0	0	0	0	0	114.1	L36 G39 R201 R202	L36-G41 WeakPolarHBondContact O-CA 3.27Å; L36-G41 PolarHBondContact O-N 2.64Å; G39-G41 PolarHBondContact O-N 2.85Å; G41-R201 CarbonylContact O-C 3.58Å; G41-R201 WeakPolarHBondContact O-CA 3.17Å; G41-R202 PolarHBondContact O-N 3.46Å
42	E	89.2	Confident	84.8	Confident	10 Å²	10	44 Å²	44	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	179.5	-63.9	-173.7	139.1	0	0	111.8	G39 L199 L200 R201 V210 K295	G39-E42 WeakPolarHBondContact CA-O 3.49Å; G39-E42 PolarHBondContact O-N 2.84Å; E42-L199 HydrophobicContact CB-CD1 4.29Å; E42-L200 CarbonylContact C-O 3.59Å; E42-L200 WeakPolarHBondContact CA-O 3.41Å; E42-R201 HydrophobicContact CG-CG 4.3Å; E42-R201 IonicContact OE1-CZ 2.81Å; E42-R201 IonicContact OE1-NE 3.9Å; E42-R201 PolarHBondContact OE1-NE 2.96Å; E42-R201 IonicContact OE1-NH2 3.9Å; E42-R201 PolarHBondContact OE1-NH2 2.94Å; E42-V210 HydrophobicContact CG-CG2 4.35Å; E42-K295 IonicContact OE1-NZ 2.83Å; E42-K295 PolarHBondContact OE1-NZ 2.83Å; E42-K295 IonicContact OE2-NZ 2.75Å; E42-K295 PolarHBondContact OE2-NZ 3.39Å
43	C	89.3	Confident	84.3	Confident	18 Å²	18	46.9 Å²	46.9	12%	0.122	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.8	175.9	179.9	0	0	0	0	110	E35 L36 L200	E35-C43 HydrophobicContact CB-CB 4.43Å; L36-C43 HydrophobicContact CD2-CB 4.02Å; L36-C43 HydrophobicContact CG-CB 4.41Å; C43-L200 PolarHBondContact N-O 2.96Å; C43-L200 PolarHBondContact O-N 2.87Å
44	F	90.5	Very high	83.8	Confident	56 Å²	56	48.2 Å²	48.2	25%	0.246	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.1	170.8	-69.2	-78.3	0	0	0	109.5	L83 L199 A400 T401 L431	F44-L83 HydrophobicContact CD1-CD1 3.81Å; F44-L83 HydrophobicContact CE1-CD1 3.89Å; F44-L199 HydrophobicContact CD1-CD1 4.3Å; F44-L199 HydrophobicContact CE1-CD1 4.23Å; F44-A400 HydrophobicContact CZ-CB 4.28Å; F44-T401 HydrophobicContact CB-CG2 4.48Å; F44-T401 HydrophobicContact CD1-CG2 3.74Å; F44-T401 HydrophobicContact CD2-CG2 4.38Å; F44-T401 HydrophobicContact CE1-CG2 3.97Å; F44-T401 HydrophobicContact CG-CG2 3.95Å; F44-T401 HydrophobicContact CZ-CG2 4.39Å; F44-L431 HydrophobicContact CE1-CD2 4.42Å; F44-L431 HydrophobicContact CZ-CB 4.33Å; F44-L431 WeakPolarHBondContact CZ-O 3.05Å
45	L	90.4	Very high	83.6	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.3	178.3	179.1	63.6	0	0	0	109.5	F17 L32 L47 A69 L80 E197 Y198	F17-L45 HydrophobicContact CE1-CD1 4.31Å; F17-L45 HydrophobicContact CE1-CD2 4.39Å; F17-L45 HydrophobicContact CE2-CD1 3.96Å; F17-L45 HydrophobicContact CZ-CD1 3.56Å; F17-L45 HydrophobicContact CZ-CD2 4.43Å; L32-L45 HydrophobicContact CD2-CD1 4.48Å; L45-L47 HydrophobicContact CD1-CD2 4.11Å; L45-L47 HydrophobicContact CD2-CD2 3.97Å; L45-L47 HydrophobicContact CG-CD2 3.9Å; L45-L47 HydrophobicContact CG-CG 4.35Å; L45-A69 HydrophobicContact CD2-CB 4.05Å; L45-L80 HydrophobicContact CD2-CD1 4.2Å; L45-E197 WeakPolarHBondContact O-CA 3.49Å; L45-Y198 PolarHBondContact N-O 2.92Å; L45-Y198 PolarHBondContact O-N 3.37Å
46	E	89.4	Confident	83.6	Confident	77 Å²	77	43.3 Å²	43.3	36%	0.36	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117	174.2	-53.7	-167.3	157.7	0	0	109.4	I49 E197	E46-I49 HydrophobicContact CB-CD1 4.15Å; E46-I49 WeakPolarHBondContact OE2-CD1 3.44Å; E46-E197 HydrophobicContact CG-CG 4.11Å
47	L	90.3	Very high	83.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135	178.4	-60	-177.5	0	0	0	110.4	F17 L45 M62 V66 A69 V195 K196 Y198	F17-L47 HydrophobicContact CB-CD2 4.27Å; F17-L47 HydrophobicContact CD1-CD2 4.09Å; F17-L47 HydrophobicContact CD2-CD2 3.62Å; F17-L47 HydrophobicContact CE1-CD2 4.36Å; F17-L47 HydrophobicContact CE2-CD2 3.93Å; F17-L47 HydrophobicContact CG-CD2 3.72Å; F17-L47 HydrophobicContact CZ-CD2 4.3Å; L45-L47 HydrophobicContact CD1-CD2 4.11Å; L45-L47 HydrophobicContact CD2-CD2 3.97Å; L45-L47 HydrophobicContact CG-CD2 3.9Å; L45-L47 HydrophobicContact CG-CG 4.35Å; L47-M62 HydrophobicContact CB-CE 4.16Å; L47-M62 HydrophobicContact CB-SD 3.86Å; L47-M62 HydrophobicContact CD1-SD 4.37Å; L47-M62 WeakPolarHBondContact O-CE 3.34Å; L47-V66 HydrophobicContact CD1-CG2 3.83Å; L47-A69 HydrophobicContact CD1-CB 4.2Å; L47-V195 WeakPolarHBondContact O-CA 3.35Å; L47-V195 WeakPolarHBondContact O-CG1 3.33Å; L47-K196 PolarHBondContact N-O 2.97Å; L47-K196 PolarHBondContact O-N 3.25Å; L47-Y198 HydrophobicContact CD1-CD2 4.07Å; L47-Y198 HydrophobicContact CD1-CE2 3.81Å; L47-Y198 HydrophobicContact CG-CD2 4.34Å; L47-Y198 HydrophobicContact CG-CE2 4.46Å
48	G	84.9	Confident	83.9	Confident	4 Å²	4	42.6 Å²	42.6	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	15	178.5	0	0	0	0	0	114.8	G56	G48-G56 WeakPolarHBondContact O-CA 2.87Å; G48-G56 PolarHBondContact O-N 3.1Å
49	I	85.1	Confident	84.3	Confident	57 Å²	57	40.9 Å²	40.9	29%	0.292	26%	0.256	S	S	.	.			trans	-110.9	137.9	170.3	-65.4	172.4	0	0	0	108.4	K14 E46 P55 V195	K14-I49 WeakPolarHBondContact CA-O 3.27Å; E46-I49 HydrophobicContact CB-CD1 4.15Å; E46-I49 WeakPolarHBondContact OE2-CD1 3.44Å; I49-P55 HydrophobicContact CG1-CB 4.2Å; I49-V195 HydrophobicContact CD1-CG1 3.78Å; I49-V195 HydrophobicContact CD1-CG2 4.37Å; I49-V195 HydrophobicContact CG1-CG1 4.02Å; I49-V195 HydrophobicContact CG1-CG2 3.87Å
50	G	79.2	Confident	84.9	Confident	8 Å²	8	47.6 Å²	47.6	8%	0.082	28%	0.283	C	S	.	.			trans	-143.6	148	176	0	0	0	0	0	110	S12 G52 Q53	S12-G50 CarbonylContact O-C 3.58Å; S12-G50 VanDerWaalsContact O-C 3.24Å; S12-G50 WeakPolarHBondContact O-CA 3.32Å; G50-G52 PolarHBondContact O-N 2.86Å; G50-Q53 PolarHBondContact O-N 3.11Å
51	D	76.4	Confident	85.5	Confident	131 Å²	131	48.5 Å²	48.5	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	121.9	-178.7	-67.7	-29.8	0	0	0	110.5	S12 Q53	S12-D51 PolarHBondContact O-N 2.63Å; D51-Q53 PolarHBondContact O-N 2.86Å
52	G	75	Confident	85.9	Confident	94 Å²	94	48.1 Å²	48.1	97%	0.969	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	4.7	-179.8	0	0	0	0	0	115.1	G50	G50-G52 PolarHBondContact O-N 2.86Å
53	Q	78.4	Confident	86.1	Confident	67 Å²	67	52.4 Å²	52.4	31%	0.313	31%	0.306	S	S	.	.	S	Bend	trans	-103.2	151.5	-179.7	-59.9	-177.9	-11.9	0	0	111.9	D13 K14 G50 D51 P55	D13-Q53 PolarHBondContact OD1-NE2 2.86Å; D13-Q53 PolarHBondContact OD1-OE1 2.75Å; K14-Q53 HydrophobicContact CD-CB 4.13Å; K14-Q53 VanDerWaalsContact CD-OE1 3.31Å; G50-Q53 PolarHBondContact O-N 3.11Å; D51-Q53 PolarHBondContact O-N 2.86Å; Q53-P55 WeakPolarHBondContact O-CD 3.16Å
54	C	80.6	Confident	86.2	Confident	82 Å²	82	55.6 Å²	55.6	55%	0.554	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-64	122.3	171.3	-66.5	0	0	0	0	109.2	K14	K14-C54 WeakPolarHBondContact CD-O 2.8Å; K14-C54 PolarHBondContact NZ-O 3.24Å
55	P	82.4	Confident	86.3	Confident	56 Å²	56	53 Å²	53	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-70.2	148.6	-172.4	26.6	-32.3	0	0	0	111.7	I49 Q53 I88 V195	I49-P55 HydrophobicContact CG1-CB 4.2Å; Q53-P55 WeakPolarHBondContact O-CD 3.16Å; P55-I88 HydrophobicContact CB-CD1 3.56Å; P55-I88 HydrophobicContact CG-CD1 3.75Å; P55-I88 HydrophobicContact CG-CG2 4.42Å; P55-V195 HydrophobicContact CB-CG2 4.43Å
56	G	84.1	Confident	86.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.308	C	S	.	.			trans	98.6	155.7	178	0	0	0	0	0	115	K14 G48 L194	K14-G56 PolarHBondContact NZ-O 3.4Å; G48-G56 WeakPolarHBondContact O-CA 2.87Å; G48-G56 PolarHBondContact O-N 3.1Å; G56-L194 VanDerWaalsContact CA-O 3.27Å; G56-L194 WeakPolarHBondContact CA-O 3.46Å
57	L	87.4	Confident	86.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-119	161.2	177	-65.8	172.6	0	0	0	109.9	K14 Y15 E61 M62 S65 L194	K14-L57 HydrophobicContact CG-CD2 4.09Å; Y15-L57 HydrophobicContact CD1-CD2 3.43Å; Y15-L57 VanDerWaalsContact CD1-CD2 3.43Å; Y15-L57 HydrophobicContact CE1-CD2 3.3Å; Y15-L57 HydrophobicContact CG-CD2 4.35Å; L57-E61 HydrophobicContact CB-CB 3.98Å; L57-E61 HydrophobicContact CD2-CB 4.4Å; L57-M62 HydrophobicContact CB-CB 4.42Å; L57-M62 HydrophobicContact CB-CE 4.26Å; L57-M62 HydrophobicContact CD1-CE 4.2Å; L57-S65 WeakPolarHBondContact CD1-OG 3.46Å; L57-L194 PolarHBondContact N-O 3.41Å; L57-L194 PolarHBondContact O-N 3.43Å
58	T	89.6	Confident	86.8	Confident	64 Å²	64	52.2 Å²	52.2	39%	0.393	31%	0.312	S	S	.	.			trans	-64.8	155.4	168.1	63.5	0	0	0	0	110.2	Q60 E61 M62	T58-Q60 PolarHBondContact O-N 2.8Å; T58-Q60 VanDerWaalsContact O-N 3.12Å; T58-E61 WeakPolarHBondContact CB-OE2 3.44Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.22Å; T58-E61 PolarHBondContact N-OE2 2.87Å; T58-E61 PolarHBondContact O-N 2.94Å; T58-E61 VanDerWaalsContact O-N 3.16Å; T58-E61 WeakPolarHBondContact OG1-CB 3.48Å; T58-E61 WeakPolarHBondContact OG1-CG 3.49Å; T58-E61 PolarHBondContact OG1-N 3.27Å; T58-E61 PolarHBondContact OG1-OE2 3.08Å; T58-M62 WeakPolarHBondContact O-CB 3.24Å; T58-M62 PolarHBondContact O-N 2.83Å
59	P	88.9	Confident	87.2	Confident	63 Å²	63	52.2 Å²	52.2	41%	0.409	31%	0.311	S	S	.	.	H	α-helix	trans	-55.5	-32	178.5	-28.6	36	0	0	0	114.1	N63 W87	P59-N63 VanDerWaalsContact O-CG 3.26Å; P59-N63 PolarHBondContact O-N 2.65Å; P59-N63 VanDerWaalsContact O-N 3.12Å; P59-N63 PolarHBondContact O-ND2 2.8Å; P59-W87 HydrophobicContact CG-CH2 4.46Å
60	Q	90.1	Very high	87.6	Confident	155 Å²	155	54.2 Å²	54.2	72%	0.724	32%	0.319	S	S	*	.	H	α-helix	trans	-70.5	-48.3	177	-67.8	-179.9	-9.5	0	0	111.9	T58 M62 N63 Q64	T58-Q60 PolarHBondContact O-N 2.8Å; T58-Q60 VanDerWaalsContact O-N 3.12Å; Q60-M62 VanDerWaalsContact C-N 3.29Å; Q60-M62 PolarHBondContact O-N 2.79Å; Q60-N63 PolarHBondContact O-N 3.23Å; Q60-Q64 PolarHBondContact O-N 2.81Å
61	E	90.9	Very high	88.3	Confident	50 Å²	50	59.4 Å²	59.4	23%	0.234	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-36.8	175.6	-70.2	164.1	154.1	0	0	111.7	L18 L57 T58 Q64 S65	L18-E61 HydrophobicContact CD1-CB 3.81Å; L18-E61 HydrophobicContact CD1-CG 4.11Å; L18-E61 WeakPolarHBondContact CD1-O 3.15Å; L18-E61 HydrophobicContact CD2-CB 4.48Å; L18-E61 HydrophobicContact CD2-CG 4.1Å; L57-E61 HydrophobicContact CB-CB 3.98Å; L57-E61 HydrophobicContact CD2-CB 4.4Å; T58-E61 WeakPolarHBondContact CB-OE2 3.44Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.22Å; T58-E61 PolarHBondContact N-OE2 2.87Å; T58-E61 PolarHBondContact O-N 2.94Å; T58-E61 VanDerWaalsContact O-N 3.16Å; T58-E61 WeakPolarHBondContact OG1-CB 3.48Å; T58-E61 WeakPolarHBondContact OG1-CG 3.49Å; T58-E61 PolarHBondContact OG1-N 3.27Å; T58-E61 PolarHBondContact OG1-OE2 3.08Å; E61-Q64 PolarHBondContact O-N 2.85Å; E61-S65 WeakPolarHBondContact O-CB 3.21Å; E61-S65 PolarHBondContact O-N 3.24Å; E61-S65 PolarHBondContact O-OG 3.41Å
62	M	92.4	Very high	89.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-46.3	176.4	-178.1	55.3	72.1	0	0	111.4	L47 L57 T58 Q60 Q64 S65 V66 L194 K196	L47-M62 HydrophobicContact CB-CE 4.16Å; L47-M62 HydrophobicContact CB-SD 3.86Å; L47-M62 HydrophobicContact CD1-SD 4.37Å; L47-M62 WeakPolarHBondContact O-CE 3.34Å; L57-M62 HydrophobicContact CB-CB 4.42Å; L57-M62 HydrophobicContact CB-CE 4.26Å; L57-M62 HydrophobicContact CD1-CE 4.2Å; T58-M62 WeakPolarHBondContact O-CB 3.24Å; T58-M62 PolarHBondContact O-N 2.83Å; Q60-M62 VanDerWaalsContact C-N 3.29Å; Q60-M62 PolarHBondContact O-N 2.79Å; M62-Q64 VanDerWaalsContact C-N 3.29Å; M62-Q64 PolarHBondContact O-N 2.97Å; M62-S65 WeakPolarHBondContact O-CB 3.5Å; M62-S65 PolarHBondContact O-N 3.26Å; M62-S65 VanDerWaalsContact O-N 3.12Å; M62-V66 HydrophobicContact CG-CG2 4.39Å; M62-V66 VanDerWaalsContact O-CG2 3.31Å; M62-V66 WeakPolarHBondContact O-CG2 3.47Å; M62-V66 PolarHBondContact O-N 3.27Å; M62-V66 HydrophobicContact SD-CG2 4.14Å; M62-L194 HydrophobicContact CB-CD2 4.36Å; M62-L194 WeakPolarHBondContact CE-O 3.46Å; M62-L194 HydrophobicContact CG-CD2 3.97Å; M62-L194 HydrophobicContact CG-CG 4.35Å; M62-K196 HydrophobicContact CE-CB 4.29Å; M62-K196 HydrophobicContact CE-CG 4.05Å; M62-K196 HydrophobicContact CG-CD 3.79Å; M62-K196 HydrophobicContact CG-CG 3.8Å; M62-K196 HydrophobicContact SD-CB 3.92Å; M62-K196 HydrophobicContact SD-CD 4Å; M62-K196 HydrophobicContact SD-CG 3.65Å
63	N	92.2	Very high	90	Very high	100 Å²	100	48.9 Å²	48.9	54%	0.535	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-38.5	178	-72.6	-18.1	0	0	0	112.2	P59 Q60 V66 C67	P59-N63 VanDerWaalsContact O-CG 3.26Å; P59-N63 PolarHBondContact O-N 2.65Å; P59-N63 VanDerWaalsContact O-N 3.12Å; P59-N63 PolarHBondContact O-ND2 2.8Å; Q60-N63 PolarHBondContact O-N 3.23Å; N63-V66 PolarHBondContact O-N 3.43Å; N63-C67 PolarHBondContact O-N 2.72Å
64	Q	91.5	Very high	90.7	Very high	85 Å²	85	51 Å²	51	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-42.4	173.7	-69.4	179.2	6.6	0	0	111.7	L18 N19 Q60 E61 M62 V66 C67 T68	L18-Q64 HydrophobicContact CD1-CB 3.75Å; L18-Q64 VanDerWaalsContact CD1-OE1 3.31Å; N19-Q64 PolarHBondContact ND2-OE1 3.13Å; Q60-Q64 PolarHBondContact O-N 2.81Å; E61-Q64 PolarHBondContact O-N 2.85Å; M62-Q64 VanDerWaalsContact C-N 3.29Å; M62-Q64 PolarHBondContact O-N 2.97Å; Q64-V66 PolarHBondContact O-N 3.31Å; Q64-C67 PolarHBondContact O-N 2.98Å; Q64-T68 PolarHBondContact O-N 3.03Å; Q64-T68 VanDerWaalsContact O-N 3.08Å; Q64-T68 PolarHBondContact O-OG1 2.81Å
65	S	92.6	Very high	91.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-40.6	177.2	-58.8	0	0	0	0	112.2	L57 E61 M62 T68 A69	L57-S65 WeakPolarHBondContact CD1-OG 3.46Å; E61-S65 WeakPolarHBondContact O-CB 3.21Å; E61-S65 PolarHBondContact O-N 3.24Å; E61-S65 PolarHBondContact O-OG 3.41Å; M62-S65 WeakPolarHBondContact O-CB 3.5Å; M62-S65 PolarHBondContact O-N 3.26Å; M62-S65 VanDerWaalsContact O-N 3.12Å; S65-T68 PolarHBondContact O-N 3.49Å; S65-A69 PolarHBondContact O-N 2.83Å
66	V	93.4	Very high	91.7	Very high	14 Å²	14	47.3 Å²	47.3	9%	0.085	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-44.4	175.1	173.7	0	0	0	0	111	L47 M62 N63 Q64 T68 A69 E70 K196 Y198	L47-V66 HydrophobicContact CD1-CG2 3.83Å; M62-V66 HydrophobicContact CG-CG2 4.39Å; M62-V66 VanDerWaalsContact O-CG2 3.31Å; M62-V66 WeakPolarHBondContact O-CG2 3.47Å; M62-V66 PolarHBondContact O-N 3.27Å; M62-V66 HydrophobicContact SD-CG2 4.14Å; N63-V66 PolarHBondContact O-N 3.43Å; Q64-V66 PolarHBondContact O-N 3.31Å; V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 3.31Å; V66-A69 CarbonylContact O-C 3.55Å; V66-A69 WeakPolarHBondContact O-CB 3.45Å; V66-A69 PolarHBondContact O-N 3.1Å; V66-E70 HydrophobicContact CG1-CG 4.4Å; V66-E70 WeakPolarHBondContact O-CG 3.21Å; V66-E70 PolarHBondContact O-N 3.07Å; V66-K196 HydrophobicContact CG2-CD 4.1Å; V66-Y198 HydrophobicContact CG2-CE2 4.08Å; V66-Y198 VanDerWaalsContact CG2-OH 3.29Å; V66-Y198 WeakPolarHBondContact CG2-OH 3.37Å
67	C	93.7	Very high	92	Very high	63 Å²	63	50.8 Å²	50.8	43%	0.426	27%	0.272	S	S	.	.	H	α-helix	trans	-60.6	-38.1	176.7	-176.3	0	0	0	0	112.1	N63 Q64 R71	N63-C67 PolarHBondContact O-N 2.72Å; Q64-C67 PolarHBondContact O-N 2.98Å; C67-R71 WeakPolarHBondContact O-CG 3.43Å; C67-R71 PolarHBondContact O-N 3.26Å; C67-R71 VanDerWaalsContact O-N 3.13Å
68	T	93.3	Very high	92.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-43.3	171.6	-60.6	0	0	0	0	111.9	F17 P20 F25 Q64 S65 V66 E70 R71 L72	F17-T68 HydrophobicContact CD1-CG2 4.36Å; F17-T68 WeakPolarHBondContact O-CB 3.46Å; F17-T68 WeakPolarHBondContact O-CG2 3.05Å; F17-T68 PolarHBondContact O-OG1 3Å; P20-T68 HydrophobicContact CG-CG2 3.54Å; F25-T68 HydrophobicContact CD2-CG2 4.44Å; Q64-T68 PolarHBondContact O-N 3.03Å; Q64-T68 VanDerWaalsContact O-N 3.08Å; Q64-T68 PolarHBondContact O-OG1 2.81Å; S65-T68 PolarHBondContact O-N 3.49Å; V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 3.31Å; T68-E70 VanDerWaalsContact C-N 3.33Å; T68-E70 PolarHBondContact O-N 2.75Å; T68-R71 PolarHBondContact O-N 3.19Å; T68-R71 PolarHBondContact OG1-NH2 2.87Å; T68-L72 HydrophobicContact CG2-CD1 4.11Å; T68-L72 WeakPolarHBondContact O-CG 3.39Å; T68-L72 PolarHBondContact O-N 2.92Å
69	A	93.4	Very high	92.3	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-38.7	177.6	0	0	0	0	0	112.4	F17 L45 L47 S65 V66 L72 A73 L80	F17-A69 HydrophobicContact CD1-CB 4.35Å; L45-A69 HydrophobicContact CD2-CB 4.05Å; L47-A69 HydrophobicContact CD1-CB 4.2Å; S65-A69 PolarHBondContact O-N 2.83Å; V66-A69 CarbonylContact O-C 3.55Å; V66-A69 WeakPolarHBondContact O-CB 3.45Å; V66-A69 PolarHBondContact O-N 3.1Å; A69-L72 PolarHBondContact O-N 3.3Å; A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 2.77Å; A69-L80 HydrophobicContact CB-CD2 3.99Å
70	E	94.4	Very high	92.4	Very high	99 Å²	99	50 Å²	50	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-46.5	173.5	-72.1	173	166.1	0	0	111.3	V66 T68 L72 A73 D74 L80	V66-E70 HydrophobicContact CG1-CG 4.4Å; V66-E70 WeakPolarHBondContact O-CG 3.21Å; V66-E70 PolarHBondContact O-N 3.07Å; T68-E70 VanDerWaalsContact C-N 3.33Å; T68-E70 PolarHBondContact O-N 2.75Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 2.96Å; E70-A73 WeakPolarHBondContact O-CB 3.27Å; E70-A73 PolarHBondContact O-N 3.45Å; E70-D74 PolarHBondContact O-N 2.87Å; E70-L80 HydrophobicContact CG-CD2 3.73Å
71	R	93.9	Very high	92.5	Very high	118 Å²	118	44 Å²	44	45%	0.445	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-39.8	175.1	-72.6	-173.1	-67.2	153.8	-0.5	112.6	F25 C67 T68 S75	F25-R71 HydrophobicContact CE2-CB 4.1Å; F25-R71 HydrophobicContact CZ-CB 4.23Å; C67-R71 WeakPolarHBondContact O-CG 3.43Å; C67-R71 PolarHBondContact O-N 3.26Å; C67-R71 VanDerWaalsContact O-N 3.13Å; T68-R71 PolarHBondContact O-N 3.19Å; T68-R71 PolarHBondContact OG1-NH2 2.87Å; R71-S75 PolarHBondContact O-N 3.28Å
72	L	93.2	Very high	92.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-44.2	175.1	-74.7	165.3	0	0	0	111.3	F17 F25 I28 K29 L32 T68 A69 E70 D74 S75 L76	F17-L72 HydrophobicContact CD1-CD1 3.82Å; F17-L72 HydrophobicContact CE1-CD1 3.51Å; F25-L72 HydrophobicContact CD1-CD2 4.16Å; F25-L72 HydrophobicContact CD2-CD2 3.79Å; F25-L72 HydrophobicContact CD2-CG 4.11Å; F25-L72 HydrophobicContact CE1-CD2 3.87Å; F25-L72 HydrophobicContact CE2-CD2 3.5Å; F25-L72 VanDerWaalsContact CE2-CD2 3.5Å; F25-L72 HydrophobicContact CE2-CG 3.55Å; F25-L72 HydrophobicContact CG-CD2 4.12Å; F25-L72 HydrophobicContact CZ-CD2 3.53Å; F25-L72 HydrophobicContact CZ-CG 3.88Å; I28-L72 HydrophobicContact CB-CD1 4.37Å; I28-L72 HydrophobicContact CG2-CD1 3.53Å; I28-L72 HydrophobicContact CG2-CD2 4.33Å; K29-L72 HydrophobicContact CB-CD2 3.9Å; L32-L72 HydrophobicContact CD1-CB 4.35Å; L32-L72 HydrophobicContact CD1-CD1 4.19Å; T68-L72 HydrophobicContact CG2-CD1 4.11Å; T68-L72 WeakPolarHBondContact O-CG 3.39Å; T68-L72 PolarHBondContact O-N 2.92Å; A69-L72 PolarHBondContact O-N 3.3Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 2.96Å; L72-D74 PolarHBondContact O-N 3.33Å; L72-S75 PolarHBondContact O-N 3.47Å; L72-L76 WeakPolarHBondContact O-CB 2.83Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.89Å
73	A	93	Very high	92.4	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-44.6	177.6	0	0	0	0	0	111.7	A69 E70 L76 S77 S78 L80 L200	A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 2.77Å; E70-A73 WeakPolarHBondContact O-CB 3.27Å; E70-A73 PolarHBondContact O-N 3.45Å; A73-L76 CarbonylContact O-C 3.59Å; A73-L76 PolarHBondContact O-N 3.18Å; A73-S77 PolarHBondContact O-N 3.14Å; A73-S78 PolarHBondContact O-N 3.41Å; A73-L80 HydrophobicContact CB-CB 4.02Å; A73-L200 HydrophobicContact CB-CD1 3.6Å
74	D	93.4	Very high	92.4	Very high	111 Å²	111	45 Å²	45	59%	0.594	23%	0.228	S	C	*	.	H	α-helix	trans	-63.4	-42.3	175.5	-78	-28.5	0	0	0	112	E70 L72 L76 S77	E70-D74 PolarHBondContact O-N 2.87Å; L72-D74 PolarHBondContact O-N 3.33Å; D74-L76 PolarHBondContact O-N 3.45Å; D74-S77 PolarHBondContact O-N 2.95Å; D74-S77 VanDerWaalsContact O-N 3.15Å
75	S	93.2	Very high	92.3	Very high	51 Å²	51	43.7 Å²	43.7	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-65.2	-25.7	176	-178.1	0	0	0	0	113.5	K29 R71 L72	K29-S75 WeakPolarHBondContact CE-OG 3.4Å; K29-S75 PolarHBondContact NZ-OG 3.49Å; R71-S75 PolarHBondContact O-N 3.28Å; L72-S75 PolarHBondContact O-N 3.47Å
76	L	91.3	Very high	92.1	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.047	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	8	178.3	-70	170.8	0	0	0	112.6	K29 L32 D33 L36 L72 A73 D74 S78 L200	K29-L76 HydrophobicContact CD-CD2 4.49Å; K29-L76 HydrophobicContact CG-CD2 3.64Å; K29-L76 HydrophobicContact CG-CG 4.05Å; L32-L76 HydrophobicContact CB-CD1 3.63Å; L32-L76 HydrophobicContact CD1-CD1 4.28Å; D33-L76 HydrophobicContact CB-CD2 3.82Å; L36-L76 HydrophobicContact CD1-CD1 4.25Å; L72-L76 WeakPolarHBondContact O-CB 2.83Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.89Å; A73-L76 CarbonylContact O-C 3.59Å; A73-L76 PolarHBondContact O-N 3.18Å; D74-L76 PolarHBondContact O-N 3.45Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 3.24Å; L76-S78 PolarHBondContact O-OG 3.46Å; L76-S78 VanDerWaalsContact O-OG 3.12Å; L76-L200 HydrophobicContact CD1-CD2 4.41Å
77	S	91.3	Very high	91.7	Very high	74 Å²	74	54.5 Å²	54.5	52%	0.517	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	47.8	-172.2	-63.3	0	0	0	0	111.8	A73 D74 K203	A73-S77 PolarHBondContact O-N 3.14Å; D74-S77 PolarHBondContact O-N 2.95Å; D74-S77 VanDerWaalsContact O-N 3.15Å; S77-K203 WeakPolarHBondContact O-CB 3.29Å; S77-K203 VanDerWaalsContact O-CG 3.24Å; S77-K203 WeakPolarHBondContact O-CG 3.33Å; S77-K203 PolarHBondContact O-N 2.89Å
78	S	91	Very high	91.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156.2	-175.2	-63.5	0	0	0	0	111.1	A73 L76 R201 R202	A73-S78 PolarHBondContact O-N 3.41Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 3.24Å; L76-S78 PolarHBondContact O-OG 3.46Å; L76-S78 VanDerWaalsContact O-OG 3.12Å; S78-R201 CarbonylContact C-O 3.45Å; S78-R201 WeakPolarHBondContact CA-O 3.41Å; S78-R202 WeakPolarHBondContact OG-CA 3.34Å
79	H	91.2	Very high	90.1	Very high	73 Å²	73	59.2 Å²	59.2	34%	0.338	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.5	170.6	-71.4	-72.6	0	0	0	109.6	I81 L200 R201	H79-I81 HydrophobicContact CB-CG1 4.36Å; H79-L200 WeakPolarHBondContact O-CA 3.4Å; H79-R201 PolarHBondContact N-O 3.46Å; H79-R201 PolarHBondContact O-N 2.94Å
80	L	92.1	Very high	88.3	Confident	38 Å²	38	63 Å²	63	20%	0.199	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.5	170.2	-172.1	70.3	0	0	0	108.8	L45 A69 E70 A73 Y198 L200	L45-L80 HydrophobicContact CD2-CD1 4.2Å; A69-L80 HydrophobicContact CB-CD2 3.99Å; E70-L80 HydrophobicContact CG-CD2 3.73Å; A73-L80 HydrophobicContact CB-CB 4.02Å; L80-Y198 HydrophobicContact CD1-CD1 3.94Å; L80-Y198 HydrophobicContact CD1-CG 3.91Å; L80-Y198 HydrophobicContact CD2-CD1 4.01Å; L80-Y198 HydrophobicContact CD2-CE1 4.14Å; L80-Y198 HydrophobicContact CD2-CG 4.5Å; L80-Y198 HydrophobicContact CG-CD1 3.62Å; L80-Y198 HydrophobicContact CG-CE1 4.2Å; L80-Y198 HydrophobicContact CG-CG 4.11Å; L80-L200 HydrophobicContact CD1-CD1 4.27Å
81	I	91.4	Very high	86	Confident	28 Å²	28	61 Å²	61	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.7	-175.8	-56	160.7	0	0	0	108.2	H79 Y198 L199 R201 S271	H79-I81 HydrophobicContact CB-CG1 4.36Å; I81-Y198 CarbonylContact O-C 3.48Å; I81-Y198 VanDerWaalsContact O-CA 3.27Å; I81-Y198 WeakPolarHBondContact O-CA 3.36Å; I81-L199 HydrophobicContact CB-CB 4.26Å; I81-L199 WeakPolarHBondContact CB-O 3.26Å; I81-L199 HydrophobicContact CD1-CD2 4.13Å; I81-L199 HydrophobicContact CD1-CG 4.45Å; I81-L199 PolarHBondContact N-O 3.15Å; I81-L199 PolarHBondContact O-N 3.4Å; I81-R201 HydrophobicContact CD1-CB 3.99Å; I81-S271 WeakPolarHBondContact CD1-O 3.44Å
82	Y	91.8	Very high	82.9	Confident	118 Å²	118	61.5 Å²	61.5	46%	0.463	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.3	175.9	171	-105.1	0	0	0	111.4	R84 D85 Y198	Y82-R84 VanDerWaalsContact CE2-C 3.49Å; Y82-R84 VanDerWaalsContact OH-C 3.31Å; Y82-R84 WeakPolarHBondContact OH-CA 3.46Å; Y82-D85 VanDerWaalsContact CE2-OD1 3.24Å; Y82-D85 WeakPolarHBondContact CE2-OD1 3.35Å; Y82-D85 VanDerWaalsContact OH-CG 3.25Å; Y82-D85 PolarHBondContact OH-N 2.91Å; Y82-D85 PolarHBondContact OH-OD1 2.95Å; Y82-Y198 AromaticContact CD2-CE1 3.95Å; Y82-Y198 HydrophobicContact CD2-CE1 3.95Å; Y82-Y198 HydrophobicContact CG-CE1 4.4Å
83	L	89.7	Confident	80.1	Confident	25 Å²	25	69 Å²	69	13%	0.131	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-60.3	176.7	-57.3	178.1	0	0	0	111.7	F44 E197 L199 I397 L431	F44-L83 HydrophobicContact CD1-CD1 3.81Å; F44-L83 HydrophobicContact CE1-CD1 3.89Å; L83-E197 HydrophobicContact CB-CB 4.45Å; L83-E197 WeakPolarHBondContact CB-O 3.3Å; L83-E197 PolarHBondContact N-O 3.21Å; L83-L199 HydrophobicContact CD1-CB 4.1Å; L83-L199 HydrophobicContact CD2-CB 4.02Å; L83-L199 HydrophobicContact CG-CB 4.22Å; L83-I397 HydrophobicContact CB-CD1 3.99Å; L83-I397 HydrophobicContact CB-CG1 4.42Å; L83-I397 HydrophobicContact CB-CG2 4.29Å; L83-I397 HydrophobicContact CD1-CG2 4.28Å; L83-I397 WeakPolarHBondContact O-CD1 3.47Å; L83-L431 HydrophobicContact CD2-CD2 3.79Å
84	R	90.8	Very high	77	Confident	27 Å²	27	74.6 Å²	74.6	10%	0.102	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	162.9	-179.3	65.5	176.2	179.2	175.8	0.5	114.1	Y82 E197 D394 I397	Y82-R84 VanDerWaalsContact CE2-C 3.49Å; Y82-R84 VanDerWaalsContact OH-C 3.31Å; Y82-R84 WeakPolarHBondContact OH-CA 3.46Å; R84-E197 HydrophobicContact CG-CB 4.16Å; R84-E197 HydrophobicContact CG-CG 4.45Å; R84-E197 IonicContact CZ-OE1 3.14Å; R84-E197 IonicContact CZ-OE2 3.2Å; R84-E197 VanDerWaalsContact CZ-OE2 3.25Å; R84-E197 PolarHBondContact N-O 2.9Å; R84-E197 VanDerWaalsContact NE-CD 3.26Å; R84-E197 IonicContact NE-OE1 2.81Å; R84-E197 PolarHBondContact NE-OE1 2.82Å; R84-E197 IonicContact NE-OE2 3.22Å; R84-E197 PolarHBondContact NE-OE2 2.87Å; R84-E197 VanDerWaalsContact NH2-CD 3.33Å; R84-E197 IonicContact NH2-OE1 2.68Å; R84-E197 PolarHBondContact NH2-OE1 3.46Å; R84-E197 IonicContact NH2-OE2 3.41Å; R84-E197 PolarHBondContact NH2-OE2 3.24Å; R84-E197 PolarHBondContact O-N 2.89Å; R84-D394 VanDerWaalsContact CD-OD1 3.32Å; R84-D394 WeakPolarHBondContact CD-OD1 3.46Å; R84-D394 PolarHBondContact NH1-O 2.83Å; R84-I397 HydrophobicContact CB-CD1 3.88Å; R84-I397 HydrophobicContact CG-CD1 4.01Å; R84-I397 HydrophobicContact CG-CG2 4.25Å
85	D	91.1	Very high	73.9	Confident	58 Å²	58	74.1 Å²	74.1	31%	0.31	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.6	169.8	-79.2	-3.9	0	0	0	109.6	Y82 L194 K196	Y82-D85 VanDerWaalsContact CE2-OD1 3.24Å; Y82-D85 WeakPolarHBondContact CE2-OD1 3.35Å; Y82-D85 VanDerWaalsContact OH-CG 3.25Å; Y82-D85 PolarHBondContact OH-N 2.91Å; Y82-D85 PolarHBondContact OH-OD1 2.95Å; D85-L194 HydrophobicContact CB-CD1 3.97Å; D85-K196 VanDerWaalsContact OD1-CD 3.28Å; D85-K196 WeakPolarHBondContact OD1-CD 3.18Å; D85-K196 WeakPolarHBondContact OD1-CE 3.49Å; D85-K196 WeakPolarHBondContact OD1-CG 3.44Å; D85-K196 IonicContact OD1-NZ 3.91Å
86	R	87.6	Confident	70.8	Confident	95 Å²	95	76.3 Å²	76.3	36%	0.358	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.7	175.9	-72.2	174.7	63.4	-167.2	-5.6	110.2	V195 E197	R86-V195 HydrophobicContact CB-CB 4.12Å; R86-V195 HydrophobicContact CB-CG1 4.47Å; R86-V195 PolarHBondContact N-O 3.42Å; R86-V195 PolarHBondContact O-N 2.81Å; R86-E197 WeakPolarHBondContact CD-OE1 3.16Å; R86-E197 IonicContact CZ-OE1 3.67Å; R86-E197 IonicContact NE-OE1 3.43Å; R86-E197 IonicContact NH1-OE1 3.24Å; R86-E197 PolarHBondContact NH1-OE1 2.89Å
87	W	85.5	Confident	68	Low	147 Å²	147	81 Å²	81	56%	0.557	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.6	174.4	-67.3	84.3	0	0	0	110	P59 L194	P59-W87 HydrophobicContact CG-CH2 4.46Å; W87-L194 HydrophobicContact CD2-CD1 4.1Å; W87-L194 HydrophobicContact CG-CD1 4.35Å; W87-L194 HydrophobicContact CZ2-CD1 4.22Å
88	I	81.4	Confident	64.8	Low	39 Å²	39	83.9 Å²	83.9	20%	0.2	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.1	177.6	-63.2	151.1	0	0	0	108	P55 C193 V195	P55-I88 HydrophobicContact CB-CD1 3.56Å; P55-I88 HydrophobicContact CG-CD1 3.75Å; P55-I88 HydrophobicContact CG-CG2 4.42Å; I88-C193 PolarHBondContact N-O 2.72Å; I88-C193 PolarHBondContact O-N 2.78Å; I88-C193 VanDerWaalsContact O-N 3.09Å; I88-V195 HydrophobicContact CD1-CB 4.26Å; I88-V195 HydrophobicContact CD1-CG2 3.45Å; I88-V195 VanDerWaalsContact CD1-CG2 3.45Å
89	T	71.1	Confident	62	Low	124 Å²	124	89.1 Å²	89.1	76%	0.761	52%	0.524	S	S	*	.			trans	-78	127.1	168.5	-46.7	0	0	0	0	108	G91	T89-G91 PolarHBondContact O-N 2.96Å
90	A	55.3	Low	59	Low	83 Å²	83	91.2 Å²	91.2	69%	0.686	54%	0.542	S	S	*	.			trans	-53.3	111.4	177.5	0	0	0	0	0	109.9
91	G	46.7	Very low	56.3	Low	58 Å²	58	98 Å²	98	60%	0.598	57%	0.573	S	S	*	*			trans	-69	150.6	-172.2	0	0	0	0	0	112.8	T89 Q93	T89-G91 PolarHBondContact O-N 2.96Å; G91-Q93 VanDerWaalsContact C-N 3.29Å; G91-Q93 PolarHBondContact O-N 2.85Å
92	S	29.3	Very low	53.6	Low	128 Å²	128	102 Å²	102	90%	0.895	60%	0.603	S	S	*	*			trans	-47.4	96.4	145.3	30.5	0	0	0	0	109.4	S94	S92-S94 PolarHBondContact O-N 3.23Å
93	Q	33	Very low	50.7	Low	157 Å²	157	99.5 Å²	99.5	73%	0.734	61%	0.614	S	S	*	*			trans	-65.6	117.1	168.2	-68.5	-174.4	2.6	0	0	108.5	G91 S95	G91-Q93 VanDerWaalsContact C-N 3.29Å; G91-Q93 PolarHBondContact O-N 2.85Å; Q93-S95 PolarHBondContact O-N 3.03Å; Q93-S95 VanDerWaalsContact O-N 3.09Å
94	S	29.6	Very low	48	Very low	121 Å²	121	104.7 Å²	104.7	85%	0.846	65%	0.652	S	S	*	*			trans	-68.2	99.6	162.1	53	0	0	0	0	108.9	S92 A96	S92-S94 PolarHBondContact O-N 3.23Å; S94-A96 PolarHBondContact O-N 3.19Å
95	S	28	Very low	45.3	Very low	101 Å²	101	106.7 Å²	106.7	71%	0.706	68%	0.681	S	S	*	*			trans	-74.4	98.8	166.9	41.9	0	0	0	0	109.5	Q93 T97	Q93-S95 PolarHBondContact O-N 3.03Å; Q93-S95 VanDerWaalsContact O-N 3.09Å; S95-T97 VanDerWaalsContact C-N 3.34Å; S95-T97 PolarHBondContact O-N 2.93Å
96	A	28.1	Very low	42.8	Very low	97 Å²	97	110 Å²	110	80%	0.802	70%	0.703	S	S	*	*			trans	-89.8	80.4	158.9	0	0	0	0	0	107.9	S94 T98	S94-A96 PolarHBondContact O-N 3.19Å; A96-T98 PolarHBondContact O-N 2.92Å
97	T	31.5	Very low	40.3	Very low	109 Å²	109	112.5 Å²	112.5	67%	0.669	72%	0.724	S	S	*	*			trans	-73.9	112.7	173.9	-40.2	0	0	0	0	108.8	S95	S95-T97 VanDerWaalsContact C-N 3.34Å; S95-T97 PolarHBondContact O-N 2.93Å
98	T	25.5	Very low	38	Very low	134 Å²	134	110.4 Å²	110.4	82%	0.822	73%	0.727	S	S	*	*			trans	-79.7	114.3	160.7	-60	0	0	0	0	107.4	A96	A96-T98 PolarHBondContact O-N 2.92Å
99	T	32	Very low	35.9	Very low	111 Å²	111	115.4 Å²	115.4	68%	0.681	75%	0.753	S	S	*	*			trans	-140.6	107.3	164.9	-51.1	0	0	0	0	108.9
100	T	28	Very low	34.3	Very low	117 Å²	117	115.4 Å²	115.4	72%	0.718	75%	0.753	S	S	*	*			trans	-55.3	129	159.1	35.4	0	0	0	0	111.1
101	Q	35.9	Very low	33	Very low	180 Å²	180	122.3 Å²	122.3	84%	0.841	76%	0.762	S	S	*	*			trans	-172.9	115.2	140.2	-103.9	166.6	44.2	0	0	111.8
102	S	32.7	Very low	32.5	Very low	112 Å²	112	125.6 Å²	125.6	78%	0.783	77%	0.773	S	S	*	*			trans	35	125.2	138.9	56.9	0	0	0	0	122
103	G	32.9	Very low	32.7	Very low	67 Å²	67	123.9 Å²	123.9	69%	0.691	76%	0.761	S	S	*	*				114.3	104.1	117.8	0	0	0	0	0	119.7
104	S	33	Very low	32.8	Very low	134 Å²	134	121.4 Å²	121.4	94%	0.937	76%	0.76	S	S	*	*			trans	72.3	134.3	138.7	63.9	0	0	0	0	122.7
105	G	33.6	Very low	33.2	Very low	69 Å²	69	122.3 Å²	122.3	71%	0.711	76%	0.761	S	S	*	*			trans	117	76.4	159.5	0	0	0	0	0	114.6
106	V	38	Very low	33.5	Very low	128 Å²	128	124.2 Å²	124.2	78%	0.776	76%	0.763	S	S	*	*				72.6	130.3	90.2	-174.6	0	0	0	0	114.5
107	D	35	Very low	33.9	Very low	146 Å²	146	127 Å²	127	78%	0.781	76%	0.764	S	S	*	*			trans	93.6	136.9	168.2	-64	-33.6	0	0	0	120.7
108	T	37	Very low	34	Very low	103 Å²	103	124.8 Å²	124.8	63%	0.632	76%	0.764	S	S	*	*			cis	-179	134.4	-21.8	-94.7	0	0	0	0	106.2
109	L	38.4	Very low	34.5	Very low	144 Å²	144	127.6 Å²	127.6	75%	0.754	77%	0.767	S	S	*	*			trans	72.5	117.5	150.9	-75.6	161.7	0	0	0	124.5
110	T	35.9	Very low	34.6	Very low	124 Å²	124	128.3 Å²	128.3	76%	0.761	78%	0.777	S	S	*	*				84.6	113.9	126.4	42.6	0	0	0	0	125.5
111	R	28	Very low	34.8	Very low	229 Å²	229	128.1 Å²	128.1	86%	0.864	78%	0.78	S	S	*	*			trans	-29.9	162.9	141.2	-111.3	179.5	166.5	-171	-4.2	115.9
112	P	37.6	Very low	35	Very low	127 Å²	127	124.7 Å²	124.7	83%	0.825	77%	0.773	S	S	*	*				-154	-165.8	59.6	40.8	-16.8	0	0	0	117.6
113	S	33.2	Very low	35.1	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	78%	0.779	S	S	*	*			trans	-92.6	160.6	-161.3	47.3	0	0	0	0	117.4
114	S	34.3	Very low	34.9	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	78%	0.784	S	S	*	*			trans	55	134.3	140.9	61.1	0	0	0	0	121
115	V	38.8	Very low	35	Very low	140 Å²	140	138.3 Å²	138.3	85%	0.848	78%	0.782	S	S	*	*				175.8	145.9	121.7	163.5	0	0	0	0	111.2
116	D	33.8	Very low	34.6	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	78%	0.776	S	S	*	*			trans	-53.7	169.5	179.1	-89.6	-42.8	0	0	0	120.1
117	N	36	Very low	34.3	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	78%	0.783	S	S	*	*			trans	109.1	116.8	142.9	-70.8	-34.6	0	0	0	119.7
118	G	33.7	Very low	33.9	Very low	64 Å²	64	140.5 Å²	140.5	66%	0.66	78%	0.78	S	S	*	*				104.9	105	110	0	0	0	0	0	119.9
119	H	36.2	Very low	33.7	Very low	193 Å²	193	141 Å²	141	89%	0.894	79%	0.788	S	S	*	*			trans	70.5	116.7	136.2	-67.5	12.7	0	0	0	120.8
120	S	35.2	Very low	33.6	Very low	126 Å²	126	139 Å²	139	88%	0.881	79%	0.786	S	S	*	*				167.9	141.7	110.4	47.6	0	0	0	0	112.9
121	S	31.1	Very low	33.2	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	79%	0.79	S	S	*	*			trans	-127.4	-177	164.6	52.3	0	0	0	0	106.3
122	P	41.5	Very low	33.4	Very low	109 Å²	109	131.9 Å²	131.9	71%	0.708	79%	0.789	S	S	*	*			cis	-137	-178.9	-3.5	39.3	-20.1	0	0	0	114.2
123	H	34.1	Very low	32.9	Very low	196 Å²	196	134.5 Å²	134.5	91%	0.907	79%	0.791	S	S	*	*			trans	-152.5	141.5	151.2	-101.6	-60.8	0	0	0	113
124	R	29.3	Very low	32.7	Very low	207 Å²	207	136.2 Å²	136.2	78%	0.781	80%	0.803	S	S	*	*			trans	-119.4	138.7	-169.1	179.6	-172.7	-173	-176.3	4.8	108.4
125	H	33.6	Very low	32.3	Very low	195 Å²	195	140.5 Å²	140.5	90%	0.903	81%	0.808	S	S	*	*			trans	-138.3	131.7	155.9	-89.2	-73.2	0	0	0	110.4
126	T	25.8	Very low	32	Very low	94 Å²	94	141 Å²	141	58%	0.577	81%	0.811	S	S	*	*			trans	-125.7	136.9	179.3	-53.1	0	0	0	0	106.6	T128	T126-T128 HydrophobicContact CG2-CG2 4.33Å
127	L	31.3	Very low	31.7	Very low	179 Å²	179	144.4 Å²	144.4	94%	0.937	82%	0.819	S	S	*	*			trans	-141	134.4	161.9	-95.3	161.2	0	0	0	109.3
128	T	26.7	Very low	31.4	Very low	116 Å²	116	140.5 Å²	140.5	71%	0.712	82%	0.816	S	S	*	*			trans	-120.7	143.4	-168.9	46.3	0	0	0	0	110.4	T126	T126-T128 HydrophobicContact CG2-CG2 4.33Å
129	S	34.2	Very low	31.2	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	82%	0.824	S	S	*	*			trans	162.5	143.3	150	53.2	0	0	0	0	108.3
130	S	34.8	Very low	30.8	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	82%	0.816	S	S	*	*			cis	-176.9	132.7	0.9	40.9	0	0	0	0	107.5
131	S	29	Very low	30.6	Very low	122 Å²	122	140.4 Å²	140.4	85%	0.853	81%	0.81	S	S	*	*			trans	22.4	135.2	145.7	53.2	0	0	0	0	123.1
132	G	31.1	Very low	30.3	Very low	82 Å²	82	143 Å²	143	85%	0.845	81%	0.814	S	S	*	*			trans	-177	88.6	156	0	0	0	0	0	112.8
133	E	26.4	Very low	30	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	82%	0.819	S	S	*	*			trans	-73.1	147.1	169.3	-71.8	-179.1	127	0	0	111.7
134	S	30.3	Very low	29.7	Very low	128 Å²	128	142.7 Å²	142.7	90%	0.895	81%	0.812	S	S	*	*			trans	-164.3	123	138.8	-82.6	0	0	0	0	111.8
135	K	26.6	Very low	29.9	Very low	194 Å²	194	140 Å²	140	84%	0.843	81%	0.813	S	S	*	*			trans	-81.1	145.4	171.4	-70.8	164.7	174.1	160.3	0	110.1
136	T	31.3	Very low	29.5	Very low	149 Å²	149	133.8 Å²	133.8	91%	0.914	80%	0.802	S	S	*	*			trans	-157	136.3	138.4	7	0	0	0	0	112.9
137	K	26.9	Very low	29.8	Very low	213 Å²	213	137.5 Å²	137.5	93%	0.926	82%	0.817	S	S	*	*			trans	-72.4	161.2	179.5	-67.1	168.2	168.8	176.9	0	112
138	G	30.7	Very low	29.5	Very low	74 Å²	74	138.6 Å²	138.6	76%	0.763	81%	0.814	S	S	*	*			trans	175.3	81.5	160.6	0	0	0	0	0	117
139	N	30.2	Very low	29.8	Very low	154 Å²	154	138.1 Å²	138.1	82%	0.824	82%	0.815	S	S	*	*			trans	54.1	116.1	144.1	-69.5	0.1	0	0	0	123.6
140	S	26.5	Very low	29.5	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	81%	0.814	S	S	*	*			trans	-43.5	139.1	141.7	50.8	0	0	0	0	115
141	V	31.6	Very low	29.1	Very low	123 Å²	123	142.9 Å²	142.9	75%	0.745	81%	0.811	S	S	*	*			trans	-143.7	113.6	147.4	177	0	0	0	0	108.6	I143	V141-I143 HydrophobicContact CG1-CD1 4.05Å; V141-I143 HydrophobicContact CG1-CG1 3.79Å
142	N	25.3	Very low	28.9	Very low	165 Å²	165	143.9 Å²	143.9	88%	0.882	81%	0.807	S	S	*	*			trans	-77	134.5	156.7	-75.4	-38.6	0	0	0	107.7
143	I	34.3	Very low	28.6	Very low	158 Å²	158	144.1 Å²	144.1	81%	0.81	80%	0.796	S	S	*	*			trans	-131.5	117.4	155.8	-69	176.1	0	0	0	107.5	V141	V141-I143 HydrophobicContact CG1-CD1 4.05Å; V141-I143 HydrophobicContact CG1-CG1 3.79Å
144	D	27.7	Very low	28.7	Very low	141 Å²	141	142.3 Å²	142.3	75%	0.754	79%	0.79	S	S	*	*			trans	-77.6	-177.7	170.2	-147.7	-14.3	0	0	0	109.8
145	D	33.1	Very low	28.5	Very low	150 Å²	150	140.7 Å²	140.7	80%	0.802	78%	0.779	S	S	*	*			trans	86.2	112.4	174	-51.3	-33.4	0	0	0	114.4
146	G	25.8	Very low	28.6	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	77%	0.771	S	S	*	*			cis	93.8	103.4	33.5	0	0	0	0	0	109.1
147	I	31.8	Very low	28.4	Very low	172 Å²	172	135.9 Å²	135.9	88%	0.882	76%	0.761	S	S	*	*			trans	-166	131.5	145.6	-93.5	144.4	0	0	0	110
148	K	26.1	Very low	28.6	Very low	202 Å²	202	133.4 Å²	133.4	88%	0.878	76%	0.758	S	S	*	*			trans	-85.5	145.2	174.8	-64.4	162.5	171.6	168.1	0	110.4
149	S	31.9	Very low	28.4	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	76%	0.761	S	S	*	*			trans	-171	119.8	139.6	38.8	0	0	0	0	107.8
150	K	27.6	Very low	28.5	Very low	178 Å²	178	139.4 Å²	139.4	77%	0.774	76%	0.763	S	S	*	*				53.8	136	79.9	-79.2	-173.5	169.9	-174.7	0	110.8
151	Q	26.6	Very low	28.3	Very low	138 Å²	138	143.4 Å²	143.4	65%	0.645	77%	0.77	S	S	*	*			cis	174.2	147.3	5.7	-117.8	169.4	-23.4	0	0	102.5
152	N	25.2	Very low	28.3	Very low	144 Å²	144	145 Å²	145	77%	0.77	77%	0.774	S	S	*	*			trans	64	151.7	147.6	-71.1	-0.7	0	0	0	116.2
153	S	25.6	Very low	28.2	Very low	87 Å²	87	142.6 Å²	142.6	61%	0.608	77%	0.77	S	S	*	*			cis	173	157	8.1	40.9	0	0	0	0	107.1
154	I	27.6	Very low	28.1	Very low	143 Å²	143	140.4 Å²	140.4	73%	0.733	77%	0.768	S	S	*	*			trans	79.3	113.5	140.1	-70.4	157.1	0	0	0	118.5
155	S	26.1	Very low	28	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	77%	0.77	S	S	*	*			trans	57.2	148.8	139.8	74.8	0	0	0	0	119
156	T	28.5	Very low	27.6	Very low	111 Å²	111	140.3 Å²	140.3	68%	0.681	76%	0.763	S	S	*	*			cis	-174.4	142.6	42.2	-13.5	0	0	0	0	107
157	D	27.9	Very low	27.7	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	77%	0.769	S	S	*	*			trans	30.4	124.8	142.7	-55.4	-28.3	0	0	0	120.5
158	N	31.1	Very low	27.5	Very low	161 Å²	161	142.6 Å²	142.6	86%	0.861	76%	0.76	S	S	*	*				-174.6	125.9	101.6	-91.8	-48.2	0	0	0	113
159	N	26.7	Very low	27.7	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	76%	0.757	S	S	*	*			trans	-57.4	144.8	163.4	-69.3	-41.3	0	0	0	111.8
160	K	30.6	Very low	27.4	Very low	199 Å²	199	142 Å²	142	87%	0.865	76%	0.757	S	S	*	*			trans	-168.3	99.3	131	-108.5	172	-177.2	-179.7	0	110.3
161	E	23.7	Very low	27.5	Very low	189 Å²	189	141 Å²	141	88%	0.883	76%	0.76	S	S	*	*			trans	-59.7	136.6	144.5	-72.9	176.7	139.6	0	0	108.4
162	L	30.3	Very low	27.6	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	77%	0.767	S	S	*	*			trans	-148.2	108.6	149.5	-133.3	90	0	0	0	108.5
163	S	23.1	Very low	27.9	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	77%	0.765	S	S	*	*			trans	-64.8	137	159.4	51.1	0	0	0	0	110.5
164	S	32.2	Very low	27.9	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	77%	0.774	S	S	*	*			trans	-146.3	102.5	157.9	57.6	0	0	0	0	110.5
165	Q	26.3	Very low	28.1	Very low	169 Å²	169	142.6 Å²	142.6	79%	0.79	78%	0.775	S	S	*	*			trans	-13.2	143.7	147.3	-78.4	170.5	-44.3	0	0	119.4
166	D	25.5	Very low	28.1	Very low	121 Å²	121	144.4 Å²	144.4	65%	0.647	78%	0.783	S	S	*	*				95.1	128.9	124.3	-80.7	-1.5	0	0	0	122.8
167	K	26.5	Very low	28.3	Very low	187 Å²	187	144.1 Å²	144.1	81%	0.813	79%	0.785	S	S	*	*			trans	81.1	129.1	153.5	-62.9	157.9	-172.6	-177	0	114.6
168	S	28.3	Very low	28.2	Very low	99 Å²	99	144 Å²	144	69%	0.692	79%	0.789	S	S	*	*			cis	-167.5	144.8	39.4	42.4	0	0	0	0	112.9
169	E	31.2	Very low	28.4	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	79%	0.788	S	S	*	*			trans	70.1	105.6	133.3	-65.5	171.1	176.9	0	0	122.3
170	T	25.1	Very low	28.7	Very low	119 Å²	119	140.9 Å²	140.9	73%	0.73	78%	0.778	S	S	*	*				12	126.1	125.5	49.6	0	0	0	0	119.2
171	N	29	Very low	28.5	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	77%	0.774	S	S	*	*				-155.1	111.6	127.4	-94.9	-31.3	0	0	0	111.6
172	I	28.8	Very low	28.9	Very low	153 Å²	153	133 Å²	133	79%	0.785	77%	0.768	S	S	*	*			trans	-74.1	123.1	157.5	-67.1	165.1	0	0	0	105.9
173	T	31.7	Very low	28.9	Very low	120 Å²	120	131.6 Å²	131.6	74%	0.736	77%	0.771	S	S	*	*			trans	-145.2	119.2	156.5	33	0	0	0	0	109.9
174	D	26.4	Very low	29.2	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	77%	0.77	S	S	*	*			trans	-52.9	137.8	165.6	-67.3	-54.5	0	0	0	111
175	T	31.5	Very low	29	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	77%	0.773	S	S	*	*			trans	-140.1	84.9	158.8	-26.3	0	0	0	0	109	S177	T175-S177 PolarHBondContact O-N 3.42Å
176	T	26.3	Very low	29.2	Very low	134 Å²	134	131 Å²	131	82%	0.822	77%	0.773	S	S	*	*			trans	-51.5	113.5	152.1	27.3	0	0	0	0	109.7
177	S	32.2	Very low	29.4	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	78%	0.779	S	S	*	*			trans	-120.3	105.7	156.6	55.1	0	0	0	0	109.4	T175 I179	T175-S177 PolarHBondContact O-N 3.42Å; S177-I179 PolarHBondContact O-N 3.25Å
178	T	26.8	Very low	29.6	Very low	127 Å²	127	126.4 Å²	126.4	78%	0.779	77%	0.774	S	S	*	*			trans	-50.1	116.7	169.8	-35.9	0	0	0	0	110.6
179	I	34.3	Very low	30	Very low	165 Å²	165	125.6 Å²	125.6	85%	0.846	77%	0.774	S	S	*	*			trans	-112.8	110.8	156.1	-64.6	178.5	0	0	0	107.7	S177	S177-I179 PolarHBondContact O-N 3.25Å
180	S	32.4	Very low	30.6	Very low	86 Å²	86	123 Å²	123	60%	0.601	77%	0.77	S	S	*	*			trans	-57.9	139.6	-178	-29.4	0	0	0	0	112.5	S182	S180-S182 PolarHBondContact O-N 3.14Å
181	S	28.1	Very low	32.1	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	77%	0.773	S	S	*	*			trans	-21.7	114.7	150	51.8	0	0	0	0	114.8
182	S	31.6	Very low	33.9	Very low	108 Å²	108	116.6 Å²	116.6	76%	0.755	74%	0.739	S	S	*	*			trans	-141.6	90.4	148.4	46.5	0	0	0	0	108.7	S180 S184	S180-S182 PolarHBondContact O-N 3.14Å; S182-S184 PolarHBondContact O-N 3.42Å
183	S	28.9	Very low	36.5	Very low	127 Å²	127	111.4 Å²	111.4	89%	0.888	72%	0.716	S	S	*	*			trans	-53.2	112	162.4	-43.1	0	0	0	0	109
184	S	31.1	Very low	39.2	Very low	110 Å²	110	106 Å²	106	77%	0.769	68%	0.683	S	S	*	*			trans	-142.2	121.7	158.1	52.4	0	0	0	0	109.5	S182	S182-S184 PolarHBondContact O-N 3.42Å
185	N	27.7	Very low	42.3	Very low	158 Å²	158	99 Å²	99	85%	0.845	65%	0.645	S	S	*	*			trans	-56.6	126.3	-174.3	-72.4	-35.6	0	0	0	113.7
186	S	30.4	Very low	45.1	Very low	114 Å²	114	94.6 Å²	94.6	80%	0.797	62%	0.615	S	S	*	*			trans	-153.8	60.7	140.6	67	0	0	0	0	110.2	S188	S186-S188 VanDerWaalsContact C-N 3.32Å; S186-S188 PolarHBondContact O-N 2.94Å
187	S	29.3	Very low	48.2	Very low	109 Å²	109	88.3 Å²	88.3	76%	0.762	58%	0.577	S	S	*	*			trans	-74.2	82.5	167.6	43.1	0	0	0	0	110.1	A189	S187-A189 PolarHBondContact O-N 3.43Å
188	S	30.9	Very low	51.1	Low	103 Å²	103	84 Å²	84	72%	0.72	54%	0.544	S	S	*	.			trans	-87.6	92.6	150.8	55.9	0	0	0	0	106.7	S186 T190	S186-S188 VanDerWaalsContact C-N 3.32Å; S186-S188 PolarHBondContact O-N 2.94Å; S188-T190 PolarHBondContact O-N 3.47Å
189	A	37.2	Very low	54.2	Low	82 Å²	82	78.1 Å²	78.1	68%	0.678	51%	0.508	S	S	*	.			trans	-63.3	98	174.5	0	0	0	0	0	108.3	S187 T191	S187-A189 PolarHBondContact O-N 3.43Å; A189-T191 PolarHBondContact O-N 3.34Å; A189-T191 PolarHBondContact O-OG1 3.38Å
190	T	42.5	Very low	56.9	Low	120 Å²	120	70.4 Å²	70.4	74%	0.736	47%	0.468	S	S	*	.			trans	-61.9	93.5	169.5	-48.8	0	0	0	0	107.1	S188 G192	S188-T190 PolarHBondContact O-N 3.47Å; T190-G192 PolarHBondContact O-N 2.81Å
191	T	56.6	Low	59.7	Low	131 Å²	131	66.3 Å²	66.3	80%	0.804	44%	0.44	S	S	*	.			trans	-79.6	59.7	-179	-44.3	0	0	0	0	107.6	A189	A189-T191 PolarHBondContact O-N 3.34Å; A189-T191 PolarHBondContact O-OG1 3.38Å
192	G	68.3	Low	62.7	Low	11 Å²	11	64 Å²	64	11%	0.113	41%	0.414	C	S	.	.			trans	-96.8	138.9	-179.7	0	0	0	0	0	110.5	T190	T190-G192 PolarHBondContact O-N 2.81Å
193	C	82.1	Confident	65.2	Low	44 Å²	44	63.5 Å²	63.5	30%	0.297	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.1	171	-60.1	0	0	0	0	108.8	I88	I88-C193 PolarHBondContact N-O 2.72Å; I88-C193 PolarHBondContact O-N 2.78Å; I88-C193 VanDerWaalsContact O-N 3.09Å
194	L	89.6	Confident	67.7	Low	8 Å²	8	59.7 Å²	59.7	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.3	-176.9	-177.2	61.7	0	0	0	110.1	G56 L57 M62 D85 W87 K196	G56-L194 VanDerWaalsContact CA-O 3.27Å; G56-L194 WeakPolarHBondContact CA-O 3.46Å; L57-L194 PolarHBondContact N-O 3.41Å; L57-L194 PolarHBondContact O-N 3.43Å; M62-L194 HydrophobicContact CB-CD2 4.36Å; M62-L194 WeakPolarHBondContact CE-O 3.46Å; M62-L194 HydrophobicContact CG-CD2 3.97Å; M62-L194 HydrophobicContact CG-CG 4.35Å; D85-L194 HydrophobicContact CB-CD1 3.97Å; W87-L194 HydrophobicContact CD2-CD1 4.1Å; W87-L194 HydrophobicContact CG-CD1 4.35Å; W87-L194 HydrophobicContact CZ2-CD1 4.22Å; L194-K196 HydrophobicContact CD2-CG 4.36Å; L194-K196 HydrophobicContact CG-CG 4.23Å
195	V	89.7	Confident	70.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.8	166.4	165.6	0	0	0	0	107.8	L47 I49 P55 R86 I88	L47-V195 WeakPolarHBondContact O-CA 3.35Å; L47-V195 WeakPolarHBondContact O-CG1 3.33Å; I49-V195 HydrophobicContact CD1-CG1 3.78Å; I49-V195 HydrophobicContact CD1-CG2 4.37Å; I49-V195 HydrophobicContact CG1-CG1 4.02Å; I49-V195 HydrophobicContact CG1-CG2 3.87Å; P55-V195 HydrophobicContact CB-CG2 4.43Å; R86-V195 HydrophobicContact CB-CB 4.12Å; R86-V195 HydrophobicContact CB-CG1 4.47Å; R86-V195 PolarHBondContact N-O 3.42Å; R86-V195 PolarHBondContact O-N 2.81Å; I88-V195 HydrophobicContact CD1-CB 4.26Å; I88-V195 HydrophobicContact CD1-CG2 3.45Å; I88-V195 VanDerWaalsContact CD1-CG2 3.45Å
196	K	91.9	Very high	72.6	Confident	31 Å²	31	54 Å²	54	14%	0.135	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.9	175.3	-64.2	-160	173.3	-171.8	0	110.4	L47 M62 V66 D85 L194 Y198	L47-K196 PolarHBondContact N-O 2.97Å; L47-K196 PolarHBondContact O-N 3.25Å; M62-K196 HydrophobicContact CE-CB 4.29Å; M62-K196 HydrophobicContact CE-CG 4.05Å; M62-K196 HydrophobicContact CG-CD 3.79Å; M62-K196 HydrophobicContact CG-CG 3.8Å; M62-K196 HydrophobicContact SD-CB 3.92Å; M62-K196 HydrophobicContact SD-CD 4Å; M62-K196 HydrophobicContact SD-CG 3.65Å; V66-K196 HydrophobicContact CG2-CD 4.1Å; D85-K196 VanDerWaalsContact OD1-CD 3.28Å; D85-K196 WeakPolarHBondContact OD1-CD 3.18Å; D85-K196 WeakPolarHBondContact OD1-CE 3.49Å; D85-K196 WeakPolarHBondContact OD1-CG 3.44Å; D85-K196 IonicContact OD1-NZ 3.91Å; L194-K196 HydrophobicContact CD2-CG 4.36Å; L194-K196 HydrophobicContact CG-CG 4.23Å; K196-Y198 HydrophobicContact CB-CD2 4.2Å; K196-Y198 HydrophobicContact CB-CE2 3.48Å; K196-Y198 VanDerWaalsContact CB-CE2 3.48Å; K196-Y198 HydrophobicContact CD-CE2 4.16Å; K196-Y198 WeakPolarHBondContact CD-OH 3.36Å; K196-Y198 HydrophobicContact CG-CE2 4.48Å
197	E	91.6	Very high	75.1	Confident	3 Å²	3	51.1 Å²	51.1	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.7	178.5	-62.3	178.4	-166.7	0	0	109.7	L45 E46 L83 R84 R86 I397	L45-E197 WeakPolarHBondContact O-CA 3.49Å; E46-E197 HydrophobicContact CG-CG 4.11Å; L83-E197 HydrophobicContact CB-CB 4.45Å; L83-E197 WeakPolarHBondContact CB-O 3.3Å; L83-E197 PolarHBondContact N-O 3.21Å; R84-E197 HydrophobicContact CG-CB 4.16Å; R84-E197 HydrophobicContact CG-CG 4.45Å; R84-E197 IonicContact CZ-OE1 3.14Å; R84-E197 IonicContact CZ-OE2 3.2Å; R84-E197 VanDerWaalsContact CZ-OE2 3.25Å; R84-E197 PolarHBondContact N-O 2.9Å; R84-E197 VanDerWaalsContact NE-CD 3.26Å; R84-E197 IonicContact NE-OE1 2.81Å; R84-E197 PolarHBondContact NE-OE1 2.82Å; R84-E197 IonicContact NE-OE2 3.22Å; R84-E197 PolarHBondContact NE-OE2 2.87Å; R84-E197 VanDerWaalsContact NH2-CD 3.33Å; R84-E197 IonicContact NH2-OE1 2.68Å; R84-E197 PolarHBondContact NH2-OE1 3.46Å; R84-E197 IonicContact NH2-OE2 3.41Å; R84-E197 PolarHBondContact NH2-OE2 3.24Å; R84-E197 PolarHBondContact O-N 2.89Å; R86-E197 WeakPolarHBondContact CD-OE1 3.16Å; R86-E197 IonicContact CZ-OE1 3.67Å; R86-E197 IonicContact NE-OE1 3.43Å; R86-E197 IonicContact NH1-OE1 3.24Å; R86-E197 PolarHBondContact NH1-OE1 2.89Å; E197-I397 VanDerWaalsContact OE2-CG2 3.28Å; E197-I397 WeakPolarHBondContact OE2-CG2 3.35Å
198	Y	92.1	Very high	77.8	Confident	15 Å²	15	46.9 Å²	46.9	6%	0.059	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.8	-177.8	-68.3	-93.2	0	0	0	110.7	L45 L47 V66 L80 I81 Y82 K196	L45-Y198 PolarHBondContact N-O 2.92Å; L45-Y198 PolarHBondContact O-N 3.37Å; L47-Y198 HydrophobicContact CD1-CD2 4.07Å; L47-Y198 HydrophobicContact CD1-CE2 3.81Å; L47-Y198 HydrophobicContact CG-CD2 4.34Å; L47-Y198 HydrophobicContact CG-CE2 4.46Å; V66-Y198 HydrophobicContact CG2-CE2 4.08Å; V66-Y198 VanDerWaalsContact CG2-OH 3.29Å; V66-Y198 WeakPolarHBondContact CG2-OH 3.37Å; L80-Y198 HydrophobicContact CD1-CD1 3.94Å; L80-Y198 HydrophobicContact CD1-CG 3.91Å; L80-Y198 HydrophobicContact CD2-CD1 4.01Å; L80-Y198 HydrophobicContact CD2-CE1 4.14Å; L80-Y198 HydrophobicContact CD2-CG 4.5Å; L80-Y198 HydrophobicContact CG-CD1 3.62Å; L80-Y198 HydrophobicContact CG-CE1 4.2Å; L80-Y198 HydrophobicContact CG-CG 4.11Å; I81-Y198 CarbonylContact O-C 3.48Å; I81-Y198 VanDerWaalsContact O-CA 3.27Å; I81-Y198 WeakPolarHBondContact O-CA 3.36Å; Y82-Y198 AromaticContact CD2-CE1 3.95Å; Y82-Y198 HydrophobicContact CD2-CE1 3.95Å; Y82-Y198 HydrophobicContact CG-CE1 4.4Å; K196-Y198 HydrophobicContact CB-CD2 4.2Å; K196-Y198 HydrophobicContact CB-CE2 3.48Å; K196-Y198 VanDerWaalsContact CB-CE2 3.48Å; K196-Y198 HydrophobicContact CD-CE2 4.16Å; K196-Y198 WeakPolarHBondContact CD-OH 3.36Å; K196-Y198 HydrophobicContact CG-CE2 4.48Å
199	L	91.8	Very high	80.6	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.1	164.7	175.8	68.5	0	0	0	108.2	E42 F44 I81 L83 L431	E42-L199 HydrophobicContact CB-CD1 4.29Å; F44-L199 HydrophobicContact CD1-CD1 4.3Å; F44-L199 HydrophobicContact CE1-CD1 4.23Å; I81-L199 HydrophobicContact CB-CB 4.26Å; I81-L199 WeakPolarHBondContact CB-O 3.26Å; I81-L199 HydrophobicContact CD1-CD2 4.13Å; I81-L199 HydrophobicContact CD1-CG 4.45Å; I81-L199 PolarHBondContact N-O 3.15Å; I81-L199 PolarHBondContact O-N 3.4Å; L83-L199 HydrophobicContact CD1-CB 4.1Å; L83-L199 HydrophobicContact CD2-CB 4.02Å; L83-L199 HydrophobicContact CG-CB 4.22Å; L199-L431 HydrophobicContact CD2-CD2 3.98Å
200	L	92	Very high	83.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.6	169.3	-169.5	65.4	0	0	0	108.4	L32 L36 E42 C43 A73 L76 H79 L80	L32-L200 HydrophobicContact CB-CD2 4.5Å; L32-L200 HydrophobicContact CD1-CD2 4.44Å; L36-L200 HydrophobicContact CD1-CD2 3.78Å; L36-L200 HydrophobicContact CD1-CG 4.28Å; L36-L200 HydrophobicContact CD2-CB 4.35Å; L36-L200 HydrophobicContact CD2-CD2 4.1Å; L36-L200 HydrophobicContact CD2-CG 4.04Å; L36-L200 HydrophobicContact CG-CD2 4.07Å; E42-L200 CarbonylContact C-O 3.59Å; E42-L200 WeakPolarHBondContact CA-O 3.41Å; C43-L200 PolarHBondContact N-O 2.96Å; C43-L200 PolarHBondContact O-N 2.87Å; A73-L200 HydrophobicContact CB-CD1 3.6Å; L76-L200 HydrophobicContact CD1-CD2 4.41Å; H79-L200 WeakPolarHBondContact O-CA 3.4Å; L80-L200 HydrophobicContact CD1-CD1 4.27Å
201	R	91.1	Very high	85.4	Confident	1 Å²	1	33.4 Å²	33.4	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.4	-179.3	178.8	177.6	-75.9	171.2	-7.4	110.6	G41 E42 S78 H79 I81 N270 S271 N430	G41-R201 CarbonylContact O-C 3.58Å; G41-R201 WeakPolarHBondContact O-CA 3.17Å; E42-R201 HydrophobicContact CG-CG 4.3Å; E42-R201 IonicContact OE1-CZ 2.81Å; E42-R201 IonicContact OE1-NE 3.9Å; E42-R201 PolarHBondContact OE1-NE 2.96Å; E42-R201 IonicContact OE1-NH2 3.9Å; E42-R201 PolarHBondContact OE1-NH2 2.94Å; S78-R201 CarbonylContact C-O 3.45Å; S78-R201 WeakPolarHBondContact CA-O 3.41Å; H79-R201 PolarHBondContact N-O 3.46Å; H79-R201 PolarHBondContact O-N 2.94Å; I81-R201 HydrophobicContact CD1-CB 3.99Å; R201-N270 PolarHBondContact NH1-O 3.37Å; R201-N270 VanDerWaalsContact NH1-O 3.12Å; R201-S271 PolarHBondContact NH1-O 3Å; R201-N430 PolarHBondContact NH1-OD1 3.01Å; R201-N430 PolarHBondContact NH2-O 3.03Å; R201-N430 PolarHBondContact NH2-OD1 3.17Å
202	R	89.4	Confident	87.2	Confident	65 Å²	65	27.2 Å²	27.2	25%	0.245	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	138.1	179.1	-161	180	-65.7	-97.4	12.6	110.5	D33 D37 G41 S78 T204	D33-R202 IonicContact OD1-CZ 2.7Å; D33-R202 VanDerWaalsContact OD1-CZ 3.29Å; D33-R202 IonicContact OD1-NH1 3.25Å; D33-R202 PolarHBondContact OD1-NH1 3.22Å; D33-R202 IonicContact OD1-NH2 3.49Å; D33-R202 PolarHBondContact OD1-NH2 2.93Å; D37-R202 IonicContact OD1-CZ 3.34Å; D37-R202 IonicContact OD1-NH2 2.63Å; D37-R202 PolarHBondContact OD1-NH2 3.43Å; G41-R202 PolarHBondContact O-N 3.46Å; S78-R202 WeakPolarHBondContact OG-CA 3.34Å; R202-T204 PolarHBondContact O-N 2.83Å; R202-T204 VanDerWaalsContact O-N 3.14Å; R202-T204 PolarHBondContact O-OG1 3.31Å
203	K	86	Confident	88.5	Confident	96 Å²	96	27 Å²	27	42%	0.417	15%	0.152	S	C	.	.			trans	-68.3	109.8	172.6	-67.9	172.8	-175.8	170.2	0	107.8	S77	S77-K203 WeakPolarHBondContact O-CB 3.29Å; S77-K203 VanDerWaalsContact O-CG 3.24Å; S77-K203 WeakPolarHBondContact O-CG 3.33Å; S77-K203 PolarHBondContact O-N 2.89Å
204	T	79.6	Confident	89.2	Confident	47 Å²	47	25 Å²	25	29%	0.288	14%	0.138	S	C	.	.			trans	-85.2	143.5	179.9	-18.9	0	0	0	0	110.7	R202 D208	R202-T204 PolarHBondContact O-N 2.83Å; R202-T204 VanDerWaalsContact O-N 3.14Å; R202-T204 PolarHBondContact O-OG1 3.31Å; T204-D208 WeakPolarHBondContact CB-O 3.21Å; T204-D208 HydrophobicContact CG2-CB 3.66Å; T204-D208 WeakPolarHBondContact CG2-O 3.49Å
205	A	82.2	Confident	89.5	Confident	59 Å²	59	24.6 Å²	24.6	49%	0.488	14%	0.136	S	C	.	.			trans	-66.8	160.3	169.4	0	0	0	0	0	110.2	D207 D208	A205-D207 VanDerWaalsContact CB-OD1 3.23Å; A205-D207 WeakPolarHBondContact CB-OD1 3.14Å; A205-D207 PolarHBondContact O-N 3.34Å; A205-D208 PolarHBondContact O-N 2.81Å
206	S	80	Confident	89.9	Confident	91 Å²	91	24.6 Å²	24.6	64%	0.636	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.1	-178.3	55.6	0	0	0	0	114.3
207	D	82.6	Confident	90.1	Very high	52 Å²	52	23.2 Å²	23.2	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	4.5	178.1	68.4	-26.7	0	0	0	113.8	A205 V501	A205-D207 VanDerWaalsContact CB-OD1 3.23Å; A205-D207 WeakPolarHBondContact CB-OD1 3.14Å; A205-D207 PolarHBondContact O-N 3.34Å; D207-V501 HydrophobicContact CB-CG1 4.48Å; D207-V501 VanDerWaalsContact O-CG1 3.31Å; D207-V501 WeakPolarHBondContact O-CG1 3.35Å
208	D	87.1	Confident	90.2	Very high	20 Å²	20	23 Å²	23	11%	0.107	13%	0.129	C	C	.	.			trans	-138	151.9	-178.7	-173.3	31.4	0	0	0	112.2	T204 A205 R496 R505 Q508	T204-D208 WeakPolarHBondContact CB-O 3.21Å; T204-D208 HydrophobicContact CG2-CB 3.66Å; T204-D208 WeakPolarHBondContact CG2-O 3.49Å; A205-D208 PolarHBondContact O-N 2.81Å; D208-R496 IonicContact OD1-CZ 3.29Å; D208-R496 IonicContact OD1-NH1 2.78Å; D208-R496 PolarHBondContact OD1-NH1 2.83Å; D208-R496 IonicContact OD1-NH2 2.72Å; D208-R505 IonicContact OD1-NH2 2.87Å; D208-R505 PolarHBondContact OD1-NH2 3.26Å; D208-R505 IonicContact OD2-CZ 3.66Å; D208-R505 IonicContact OD2-NH2 2.64Å; D208-R505 PolarHBondContact OD2-NH2 3.02Å; D208-Q508 PolarHBondContact OD1-NE2 3.25Å
209	F	90.2	Very high	90.3	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.013	13%	0.134	C	C	.	.			trans	-161.8	154.3	-178.5	53.7	-94.5	0	0	0	109.4	D211 C290 V296 R496 K497 L499	F209-D211 HydrophobicContact CD2-CB 4.35Å; F209-D211 HydrophobicContact CE2-CB 4.1Å; F209-D211 PolarHBondContact O-N 3.08Å; F209-C290 HydrophobicContact CD1-CB 4.1Å; F209-C290 HydrophobicContact CE1-CB 3.78Å; F209-C290 HydrophobicContact CZ-CB 4.43Å; F209-V296 HydrophobicContact CB-CG2 4.3Å; F209-V296 HydrophobicContact CD2-CB 3.8Å; F209-V296 HydrophobicContact CD2-CG2 3.6Å; F209-V296 HydrophobicContact CE2-CB 4.08Å; F209-V296 HydrophobicContact CE2-CG2 4.06Å; F209-V296 HydrophobicContact CG-CG2 3.91Å; F209-R496 HydrophobicContact CE1-CB 4.44Å; F209-R496 HydrophobicContact CZ-CB 4.14Å; F209-R496 PolarHBondContact O-NH2 3.23Å; F209-K497 HydrophobicContact CE2-CD 3.87Å; F209-K497 HydrophobicContact CZ-CD 3.78Å; F209-K497 HydrophobicContact CZ-CG 4.37Å; F209-L499 HydrophobicContact CD1-CD2 4.36Å; F209-L499 HydrophobicContact CE1-CD2 4.05Å
210	V	89.9	Confident	90.3	Very high	11 Å²	11	24.9 Å²	24.9	7%	0.067	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.5	171.6	-174.6	0	0	0	0	108.7	Q40 E42 V212 A294 K295 V296	Q40-V210 WeakPolarHBondContact O-CG2 3.49Å; E42-V210 HydrophobicContact CG-CG2 4.35Å; V210-V212 HydrophobicContact CG1-CG2 4.33Å; V210-A294 PolarHBondContact N-O 2.99Å; V210-K295 HydrophobicContact CB-CB 4.29Å; V210-K295 HydrophobicContact CB-CG 4.17Å; V210-K295 HydrophobicContact CG1-CG 4.49Å; V210-K295 CarbonylContact O-C 3.51Å; V210-K295 WeakPolarHBondContact O-CA 3.26Å; V210-V296 PolarHBondContact O-N 3.35Å
211	D	90.6	Very high	90.2	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.2	177.4	-169.8	9.1	0	0	0	109.5	F209 T298 S434 T509	F209-D211 HydrophobicContact CD2-CB 4.35Å; F209-D211 HydrophobicContact CE2-CB 4.1Å; F209-D211 PolarHBondContact O-N 3.08Å; D211-T298 PolarHBondContact OD1-OG1 3.24Å; D211-S434 PolarHBondContact O-OG 3.39Å; D211-T509 PolarHBondContact OD2-OG1 3.29Å
212	V	93.7	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.1	175.4	179.8	0	0	0	0	108.9	V210 V214 V296 I297 T298 D322 Y323	V210-V212 HydrophobicContact CG1-CG2 4.33Å; V212-V214 HydrophobicContact CG1-CG2 4.38Å; V212-V296 PolarHBondContact N-O 3.13Å; V212-I297 HydrophobicContact CB-CD1 3.73Å; V212-I297 HydrophobicContact CG1-CD1 4.28Å; V212-I297 HydrophobicContact CG2-CD1 4.25Å; V212-I297 CarbonylContact O-C 3.49Å; V212-I297 WeakPolarHBondContact O-CA 3.42Å; V212-T298 PolarHBondContact O-N 2.75Å; V212-D322 HydrophobicContact CG1-CB 4.43Å; V212-Y323 HydrophobicContact CG1-CD2 3.62Å; V212-Y323 HydrophobicContact CG1-CE2 3.67Å
213	R	94.9	Very high	90.4	Very high	8 Å²	8	27.4 Å²	27.4	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.2	-176.6	-62.3	168.6	-70.5	-172.9	-11.2	111.3	T298 I300 H319 A320 D322 Y323 S436 T464	R213-T298 WeakPolarHBondContact CA-O 3.4Å; R213-I300 HydrophobicContact CB-CD1 4.4Å; R213-H319 PolarHBondContact NH1-O 3.02Å; R213-A320 PolarHBondContact NE-O 3.34Å; R213-A320 PolarHBondContact NH1-O 2.92Å; R213-A320 PolarHBondContact NH2-O 2.81Å; R213-D322 WeakPolarHBondContact CB-OD2 3.15Å; R213-D322 PolarHBondContact N-OD2 2.91Å; R213-D322 IonicContact NE-OD2 2.89Å; R213-D322 PolarHBondContact NE-OD2 2.83Å; R213-D322 IonicContact NH2-OD1 2.77Å; R213-D322 PolarHBondContact O-N 3.01Å; R213-Y323 PolarHBondContact O-N 2.67Å; R213-Y323 VanDerWaalsContact O-N 3.08Å; R213-S436 PolarHBondContact NH2-OG 3.17Å; R213-T464 PolarHBondContact NH1-OG1 2.93Å
214	V	96.9	Very high	90.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	112.6	-178.8	-176.6	0	0	0	0	109.4	V212 I297 T298 F299 I300 Y323 M325 F353 L432	V212-V214 HydrophobicContact CG1-CG2 4.38Å; V214-I297 HydrophobicContact CB-CG2 4.32Å; V214-I297 HydrophobicContact CG2-CG2 3.71Å; V214-T298 PolarHBondContact N-O 2.72Å; V214-F299 HydrophobicContact CB-CD1 4.05Å; V214-F299 HydrophobicContact CB-CE1 4.27Å; V214-F299 HydrophobicContact CG1-CD1 4.33Å; V214-F299 HydrophobicContact CG1-CE1 4.39Å; V214-F299 WeakPolarHBondContact O-CA 3.43Å; V214-I300 PolarHBondContact O-N 3.05Å; V214-Y323 CarbonylContact C-O 3.6Å; V214-Y323 WeakPolarHBondContact CA-O 3.48Å; V214-M325 HydrophobicContact CG1-CB 3.77Å; V214-F353 HydrophobicContact CG1-CE1 3.99Å; V214-F353 HydrophobicContact CG1-CZ 3.93Å; V214-L432 HydrophobicContact CG2-CD1 4.47Å
215	A	97.1	Very high	91.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.4	173	0	0	0	0	0	111.2	I300 L302 M316 P321 Y323 V324 M325	A215-I300 HydrophobicContact CB-CB 4.48Å; A215-L302 HydrophobicContact CB-CD1 4.01Å; A215-M316 HydrophobicContact CB-SD 3.54Å; A215-M316 VanDerWaalsContact CB-SD 3.54Å; A215-P321 HydrophobicContact CB-CB 3.63Å; A215-P321 HydrophobicContact CB-CG 3.69Å; A215-Y323 PolarHBondContact N-O 2.8Å; A215-V324 HydrophobicContact CB-CG2 4.35Å; A215-V324 CarbonylContact O-C 3.59Å; A215-V324 WeakPolarHBondContact O-CA 3.35Å; A215-M325 PolarHBondContact O-N 3.04Å
216	V	97.3	Very high	92	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.1	-178.2	-172.1	0	0	0	0	109.7	K224 L228 F299 I300 L302 M325 M327	V216-K224 HydrophobicContact CG1-CB 3.92Å; V216-K224 HydrophobicContact CG1-CD 4.29Å; V216-K224 HydrophobicContact CG1-CG 4.02Å; V216-L228 HydrophobicContact CB-CD1 4.34Å; V216-L228 HydrophobicContact CG2-CD1 3.95Å; V216-L228 HydrophobicContact CG2-CD2 3.91Å; V216-L228 HydrophobicContact CG2-CG 4.23Å; V216-F299 HydrophobicContact CG2-CB 4.39Å; V216-F299 HydrophobicContact CG2-CD1 4.06Å; V216-I300 PolarHBondContact N-O 2.81Å; V216-L302 WeakPolarHBondContact O-CB 3.49Å; V216-L302 PolarHBondContact O-N 3.13Å; V216-M325 HydrophobicContact CB-CE 4.11Å; V216-M325 HydrophobicContact CG1-CE 3.55Å; V216-M325 HydrophobicContact CG2-CE 3.49Å; V216-M325 VanDerWaalsContact CG2-CE 3.49Å; V216-M327 HydrophobicContact CG1-CG 3.75Å
217	V	95.5	Very high	92.7	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.5	-175	-55.6	0	0	0	0	111.6	L302 T312 M316 V324 M325 F326 M327 H341	V217-L302 HydrophobicContact CG1-CB 4.19Å; V217-L302 HydrophobicContact CG1-CD1 3.65Å; V217-L302 HydrophobicContact CG1-CG 4.4Å; V217-T312 HydrophobicContact CG1-CG2 4.5Å; V217-M316 HydrophobicContact CG1-SD 4.05Å; V217-V324 HydrophobicContact CG2-CG1 3.34Å; V217-M325 PolarHBondContact N-O 2.93Å; V217-F326 HydrophobicContact CG2-CD2 4.07Å; V217-F326 CarbonylContact O-C 3.6Å; V217-F326 WeakPolarHBondContact O-CA 3.27Å; V217-M327 PolarHBondContact O-N 2.98Å; V217-H341 HydrophobicContact CB-CB 3.85Å; V217-H341 HydrophobicContact CG2-CB 3.87Å
218	G	94.6	Very high	93.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.7	169.8	-179.2	0	0	0	0	0	111.3	K224 G304 M327 H341	G218-K224 PolarHBondContact O-NZ 2.72Å; G218-G304 VanDerWaalsContact O-CA 3.31Å; G218-G304 WeakPolarHBondContact O-CA 3.49Å; G218-M327 WeakPolarHBondContact CA-O 3.43Å; G218-H341 PolarHBondContact N-ND1 2.88Å; G218-H341 VanDerWaalsContact N-ND1 3.15Å; G218-H341 PolarHBondContact O-CE1 2.89Å; G218-H341 PolarHBondContact O-ND1 3.12Å
219	N	94.4	Very high	93.6	Very high	28 Å²	28	12.1 Å²	12.1	15%	0.15	7%	0.069	C	C	.	.			trans	-61.4	166.5	-177.9	-164.2	39.1	0	0	0	112.4	A222 K224 M337 A338	N219-A222 WeakPolarHBondContact O-CB 3.12Å; N219-A222 PolarHBondContact O-N 2.85Å; N219-K224 PolarHBondContact O-NZ 2.92Å; N219-M337 PolarHBondContact OD1-N 2.82Å; N219-A338 HydrophobicContact CB-CB 4.15Å
220	V	90.8	Very high	93.9	Very high	28 Å²	28	12.1 Å²	12.1	17%	0.17	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	141.2	163	-167.5	0	0	0	0	108.7	A222 G304 H305	V220-A222 PolarHBondContact O-N 3.23Å; V220-A222 VanDerWaalsContact O-N 3.16Å; V220-G304 WeakPolarHBondContact CG2-O 3.35Å; V220-G304 PolarHBondContact N-O 2.78Å; V220-H305 HydrophobicContact CG2-CB 3.72Å
221	D	90.4	Very high	94.1	Very high	108 Å²	108	11.7 Å²	11.7	58%	0.578	7%	0.067	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	7.2	-179.9	-49.6	-42.4	0	0	0	117.3	G223 K358	D221-G223 PolarHBondContact O-N 3.2Å; D221-G223 VanDerWaalsContact O-N 3.13Å; D221-K358 VanDerWaalsContact O-CE 3.28Å; D221-K358 WeakPolarHBondContact O-CE 3.38Å; D221-K358 PolarHBondContact O-NZ 3.18Å
222	A	92.9	Very high	94.3	Very high	4 Å²	4	11.2 Å²	11.2	3%	0.033	6%	0.064	C	C	.	.	S	Bend	trans	-69.3	-2.2	171.7	0	0	0	0	0	114.2	N219 V220 M327 T357	N219-A222 WeakPolarHBondContact O-CB 3.12Å; N219-A222 PolarHBondContact O-N 2.85Å; V220-A222 PolarHBondContact O-N 3.23Å; V220-A222 VanDerWaalsContact O-N 3.16Å; A222-M327 HydrophobicContact CB-CB 4.12Å; A222-T357 PolarHBondContact O-OG1 3.15Å
223	G	92	Very high	94.2	Very high	9 Å²	9	11.8 Å²	11.8	9%	0.093	7%	0.067	C	C	.	.			trans	80.5	23.4	177.9	0	0	0	0	0	115.6	D221 T226 L227	D221-G223 PolarHBondContact O-N 3.2Å; D221-G223 VanDerWaalsContact O-N 3.13Å; G223-T226 PolarHBondContact O-N 3.31Å; G223-L227 WeakPolarHBondContact O-CB 3.5Å; G223-L227 PolarHBondContact O-N 3.19Å
224	K	93.7	Very high	94	Very high	14 Å²	14	14 Å²	14	6%	0.061	9%	0.092	C	C	.	.	H	α-helix	trans	-52	-69.7	-179.6	-64.3	-173	-65.4	-64.5	0	113.6	V216 G218 N219 T226 L227 L228 L302 M327	V216-K224 HydrophobicContact CG1-CB 3.92Å; V216-K224 HydrophobicContact CG1-CD 4.29Å; V216-K224 HydrophobicContact CG1-CG 4.02Å; G218-K224 PolarHBondContact O-NZ 2.72Å; N219-K224 PolarHBondContact O-NZ 2.92Å; K224-T226 PolarHBondContact O-N 3.28Å; K224-L227 PolarHBondContact O-N 3.36Å; K224-L228 PolarHBondContact O-N 2.7Å; K224-L302 WeakPolarHBondContact CE-O 3.32Å; K224-M327 HydrophobicContact CG-CB 3.84Å; K224-M327 HydrophobicContact CG-CG 3.88Å
225	S	93.7	Very high	93.7	Very high	12 Å²	12	18.1 Å²	18.1	8%	0.084	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-25.7	-178.6	-38.4	0	0	0	0	112	G229 L247 T259 D301	S225-G229 PolarHBondContact O-N 3.03Å; S225-L247 WeakPolarHBondContact O-CD1 3.46Å; S225-T259 PolarHBondContact OG-OG1 3.31Å; S225-T259 VanDerWaalsContact OG-OG1 3.06Å; S225-D301 PolarHBondContact OG-OD2 2.92Å
226	T	94.1	Very high	93.5	Very high	19 Å²	19	22.3 Å²	22.3	12%	0.117	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-50.5	172.7	-55.5	0	0	0	0	111	G223 K224 L228 G229 V230 D237 A243 N416	G223-T226 PolarHBondContact O-N 3.31Å; K224-T226 PolarHBondContact O-N 3.28Å; T226-L228 VanDerWaalsContact C-N 3.31Å; T226-L228 PolarHBondContact O-N 3.27Å; T226-G229 PolarHBondContact O-N 3.36Å; T226-V230 WeakPolarHBondContact O-CG2 3.31Å; T226-V230 PolarHBondContact O-N 2.85Å; T226-D237 HydrophobicContact CG2-CB 3.7Å; T226-D237 VanDerWaalsContact CG2-CG 3.45Å; T226-D237 VanDerWaalsContact CG2-OD2 3.26Å; T226-D237 WeakPolarHBondContact CG2-OD2 3.31Å; T226-A243 HydrophobicContact CG2-CB 4.26Å; T226-N416 HydrophobicContact CG2-CB 4.21Å
227	L	95.5	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-44.2	177.5	175.2	66.5	0	0	0	110.6	G223 K224 G229 V230 L231 M325 M327 V355 N416 L422 L425	G223-L227 WeakPolarHBondContact O-CB 3.5Å; G223-L227 PolarHBondContact O-N 3.19Å; K224-L227 PolarHBondContact O-N 3.36Å; L227-G229 VanDerWaalsContact C-N 3.32Å; L227-G229 PolarHBondContact O-N 2.86Å; L227-V230 PolarHBondContact O-N 2.89Å; L227-L231 HydrophobicContact CD1-CD1 4.06Å; L227-L231 HydrophobicContact CD1-CD2 4.5Å; L227-L231 HydrophobicContact CD1-CG 4.01Å; L227-L231 HydrophobicContact CD2-CD1 4.38Å; L227-L231 HydrophobicContact CG-CD1 3.9Å; L227-L231 HydrophobicContact CG-CG 4.24Å; L227-L231 WeakPolarHBondContact O-CG 2.97Å; L227-L231 PolarHBondContact O-N 3.44Å; L227-M325 HydrophobicContact CD2-CE 3.79Å; L227-M325 HydrophobicContact CD2-SD 3.81Å; L227-M327 HydrophobicContact CB-CE 3.72Å; L227-M327 HydrophobicContact CD2-CE 3.43Å; L227-M327 VanDerWaalsContact CD2-CE 3.43Å; L227-M327 HydrophobicContact CD2-SD 3.51Å; L227-M327 VanDerWaalsContact CD2-SD 3.51Å; L227-M327 HydrophobicContact CG-CE 4.21Å; L227-V355 HydrophobicContact CD2-CG1 3.93Å; L227-N416 WeakPolarHBondContact CD1-OD1 3.49Å; L227-N416 PolarHBondContact N-ND2 2.88Å; L227-L422 HydrophobicContact CD1-CD2 3.74Å; L227-L425 HydrophobicContact CD1-CD2 4.21Å; L227-L425 HydrophobicContact CD2-CD2 4.07Å
228	L	95.1	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-45.9	176.4	-72	-178.6	0	0	0	111.7	V216 K224 T226 V230 L231 T232 L247 F299 D301 M325	V216-L228 HydrophobicContact CB-CD1 4.34Å; V216-L228 HydrophobicContact CG2-CD1 3.95Å; V216-L228 HydrophobicContact CG2-CD2 3.91Å; V216-L228 HydrophobicContact CG2-CG 4.23Å; K224-L228 PolarHBondContact O-N 2.7Å; T226-L228 VanDerWaalsContact C-N 3.31Å; T226-L228 PolarHBondContact O-N 3.27Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 PolarHBondContact O-N 3.23Å; L228-L231 PolarHBondContact O-N 3.17Å; L228-T232 WeakPolarHBondContact O-CG2 3.43Å; L228-T232 PolarHBondContact O-N 3.37Å; L228-T232 PolarHBondContact O-OG1 3.25Å; L228-L247 HydrophobicContact CB-CD1 3.39Å; L228-F299 HydrophobicContact CD1-CB 4.29Å; L228-F299 HydrophobicContact CD2-CB 3.57Å; L228-F299 HydrophobicContact CD2-CD1 3.55Å; L228-F299 HydrophobicContact CD2-CD2 3.63Å; L228-F299 HydrophobicContact CD2-CE1 4.09Å; L228-F299 HydrophobicContact CD2-CE2 4.13Å; L228-F299 HydrophobicContact CD2-CG 3.28Å; L228-F299 HydrophobicContact CD2-CZ 4.35Å; L228-D301 HydrophobicContact CD1-CB 3.67Å; L228-M325 HydrophobicContact CD2-CE 4.23Å
229	G	93.4	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-38.5	178.5	0	0	0	0	0	112.5	S225 T226 L227 H233	S225-G229 PolarHBondContact O-N 3.03Å; T226-G229 PolarHBondContact O-N 3.36Å; L227-G229 VanDerWaalsContact C-N 3.32Å; L227-G229 PolarHBondContact O-N 2.86Å; G229-H233 WeakPolarHBondContact O-CB 3.21Å; G229-H233 PolarHBondContact O-CD2 3.5Å; G229-H233 PolarHBondContact O-N 3.1Å; G229-H233 VanDerWaalsContact O-N 3.09Å
230	V	95	Very high	92.4	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-43.6	176.3	175.6	0	0	0	0	111.6	T226 L227 L228 G234 E235 L236 D237 A243 N416 L422	T226-V230 WeakPolarHBondContact O-CG2 3.31Å; T226-V230 PolarHBondContact O-N 2.85Å; L227-V230 PolarHBondContact O-N 2.89Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 PolarHBondContact O-N 3.23Å; V230-G234 WeakPolarHBondContact O-CA 3.47Å; V230-G234 PolarHBondContact O-N 3.32Å; V230-E235 WeakPolarHBondContact CA-O 2.9Å; V230-E235 WeakPolarHBondContact CG2-O 3.43Å; V230-L236 HydrophobicContact CG1-CD2 4.01Å; V230-D237 HydrophobicContact CG2-CB 4.12Å; V230-A243 HydrophobicContact CG2-CB 3.77Å; V230-N416 HydrophobicContact CG2-CB 4.09Å; V230-L422 HydrophobicContact CG1-CD1 3.63Å
231	L	95.1	Very high	92.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67.1	-42.7	-179.7	-70.1	177	0	0	0	112.1	L227 L228 L267 F299 L425 K426 L429	L227-L231 HydrophobicContact CD1-CD1 4.06Å; L227-L231 HydrophobicContact CD1-CD2 4.5Å; L227-L231 HydrophobicContact CD1-CG 4.01Å; L227-L231 HydrophobicContact CD2-CD1 4.38Å; L227-L231 HydrophobicContact CG-CD1 3.9Å; L227-L231 HydrophobicContact CG-CG 4.24Å; L227-L231 WeakPolarHBondContact O-CG 2.97Å; L227-L231 PolarHBondContact O-N 3.44Å; L228-L231 PolarHBondContact O-N 3.17Å; L231-L267 WeakPolarHBondContact O-CD1 3.49Å; L231-F299 HydrophobicContact CD1-CZ 4.1Å; L231-L425 HydrophobicContact CD1-CD2 4.26Å; L231-K426 HydrophobicContact CD2-CG 3.96Å; L231-L429 HydrophobicContact CD1-CD1 4.3Å
232	T	94	Very high	92	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-84.7	-32.5	-172.4	60.9	0	0	0	0	114.1	L228 D265 I266 N277 F299	L228-T232 WeakPolarHBondContact O-CG2 3.43Å; L228-T232 PolarHBondContact O-N 3.37Å; L228-T232 PolarHBondContact O-OG1 3.25Å; T232-D265 HydrophobicContact CG2-CB 4.1Å; T232-I266 WeakPolarHBondContact CG2-O 3.4Å; T232-N277 WeakPolarHBondContact O-CB 3.13Å; T232-N277 PolarHBondContact O-ND2 2.86Å; T232-F299 HydrophobicContact CG2-CD2 4.25Å; T232-F299 HydrophobicContact CG2-CE2 4.4Å
233	H	91.9	Very high	91.9	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.056	20%	0.198	C	C	.	.	H	α-helix	trans	-94.2	-15.8	176.6	-65.5	-83.1	0	0	0	113.2	G229 E235 P279 G282	G229-H233 WeakPolarHBondContact O-CB 3.21Å; G229-H233 PolarHBondContact O-CD2 3.5Å; G229-H233 PolarHBondContact O-N 3.1Å; G229-H233 VanDerWaalsContact O-N 3.09Å; H233-E235 PolarHBondContact O-N 2.91Å; H233-P279 HydrophobicContact CB-CG 4.23Å; H233-P279 VanDerWaalsContact O-CG 3.26Å; H233-P279 WeakPolarHBondContact O-CG 3.46Å; H233-G282 PolarHBondContact CE1-O 3.49Å
234	G	90.4	Very high	91.8	Very high	55 Å²	55	38.6 Å²	38.6	57%	0.567	21%	0.207	S	C	*	.			trans	72.7	12.7	-179.8	0	0	0	0	0	114.6	V230	V230-G234 WeakPolarHBondContact O-CA 3.47Å; V230-G234 PolarHBondContact O-N 3.32Å
235	E	91.4	Very high	91.5	Very high	86 Å²	86	42.5 Å²	42.5	40%	0.402	23%	0.228	S	C	.	.			trans	-112.2	137.2	177.4	-66.3	-179.5	-156	0	0	110.9	V230 H233 R246	V230-E235 WeakPolarHBondContact CA-O 2.9Å; V230-E235 WeakPolarHBondContact CG2-O 3.43Å; H233-E235 PolarHBondContact O-N 2.91Å; E235-R246 VanDerWaalsContact CD-NH1 3.33Å; E235-R246 IonicContact OE1-NH1 3.36Å; E235-R246 IonicContact OE1-NH2 3.1Å; E235-R246 IonicContact OE2-CZ 3.93Å; E235-R246 IonicContact OE2-NH1 3.43Å; E235-R246 PolarHBondContact OE2-NH1 3.34Å; E235-R246 IonicContact OE2-NH2 2.63Å; E235-R246 PolarHBondContact OE2-NH2 3.27Å
236	L	93.4	Very high	91.1	Very high	87 Å²	87	46 Å²	46	46%	0.455	24%	0.239	S	C	.	.			trans	-71.1	152.8	179.4	-60.7	176.2	0	0	0	111.8	V230 V417 L422	V230-L236 HydrophobicContact CG1-CD2 4.01Å; L236-V417 WeakPolarHBondContact CD1-O 3.47Å; L236-L422 HydrophobicContact CD2-CD1 3.86Å
237	D	93.2	Very high	90.8	Very high	14 Å²	14	45.6 Å²	45.6	8%	0.075	24%	0.237	C	C	.	.			trans	-77.8	142.1	177	-167.5	43.3	0	0	0	110.8	T226 V230 G239 G241 L242 A243 N416 V417	T226-D237 HydrophobicContact CG2-CB 3.7Å; T226-D237 VanDerWaalsContact CG2-CG 3.45Å; T226-D237 VanDerWaalsContact CG2-OD2 3.26Å; T226-D237 WeakPolarHBondContact CG2-OD2 3.31Å; V230-D237 HydrophobicContact CG2-CB 4.12Å; D237-G239 PolarHBondContact O-N 3.31Å; D237-G239 VanDerWaalsContact O-N 3.15Å; D237-G241 VanDerWaalsContact OD1-C 3.28Å; D237-G241 VanDerWaalsContact OD1-CA 3.26Å; D237-G241 WeakPolarHBondContact OD1-CA 3.48Å; D237-G241 PolarHBondContact OD1-N 3.05Å; D237-G241 PolarHBondContact OD2-N 3.32Å; D237-L242 PolarHBondContact OD1-N 2.96Å; D237-A243 HydrophobicContact CB-CB 3.98Å; D237-A243 PolarHBondContact OD1-N 3.5Å; D237-N416 HydrophobicContact CB-CB 4.25Å; D237-N416 PolarHBondContact N-O 3.47Å; D237-V417 WeakPolarHBondContact O-CA 3.43Å
238	N	92.4	Very high	90.3	Very high	86 Å²	86	46.9 Å²	46.9	46%	0.46	24%	0.243	S	C	.	.			trans	-81.4	15.4	178.2	69.3	-9.7	0	0	0	113.6	R240 G241 L242	N238-R240 PolarHBondContact O-N 3.08Å; N238-R240 VanDerWaalsContact O-N 3.09Å; N238-R240 WeakPolarHBondContact OD1-CA 3.24Å; N238-R240 PolarHBondContact OD1-N 3.3Å; N238-G241 PolarHBondContact OD1-N 2.94Å; N238-L242 HydrophobicContact CB-CB 4.37Å; N238-L242 WeakPolarHBondContact OD1-CB 3.35Å; N238-L242 PolarHBondContact OD1-N 3.25Å
239	G	86.5	Confident	89.7	Confident	49 Å²	49	52.9 Å²	52.9	51%	0.505	27%	0.266	S	S	.	.	S	Bend	trans	71.3	-6.6	-173.8	0	0	0	0	0	115.2	D237	D237-G239 PolarHBondContact O-N 3.31Å; D237-G239 VanDerWaalsContact O-N 3.15Å
240	R	85.7	Confident	89.4	Confident	222 Å²	222	57 Å²	57	84%	0.838	29%	0.285	S	S	*	.	S	Bend	trans	-107.2	6.3	177.2	-62.2	-172.2	177.2	-173.7	0	112.8	N238	N238-R240 PolarHBondContact O-N 3.08Å; N238-R240 VanDerWaalsContact O-N 3.09Å; N238-R240 WeakPolarHBondContact OD1-CA 3.24Å; N238-R240 PolarHBondContact OD1-N 3.3Å
241	G	83.6	Confident	88.9	Confident	4 Å²	4	64.6 Å²	64.6	4%	0.041	32%	0.318	C	S	.	.	S	Bend	trans	81.1	31.7	177.8	0	0	0	0	0	114	D237 N238 A243 R244 L245	D237-G241 VanDerWaalsContact OD1-C 3.28Å; D237-G241 VanDerWaalsContact OD1-CA 3.26Å; D237-G241 WeakPolarHBondContact OD1-CA 3.48Å; D237-G241 PolarHBondContact OD1-N 3.05Å; D237-G241 PolarHBondContact OD2-N 3.32Å; N238-G241 PolarHBondContact OD1-N 2.94Å; G241-A243 VanDerWaalsContact C-N 3.25Å; G241-A243 PolarHBondContact O-N 3.06Å; G241-R244 WeakPolarHBondContact O-CG 3.19Å; G241-R244 PolarHBondContact O-N 2.7Å; G241-L245 PolarHBondContact O-N 2.95Å
242	L	88.7	Confident	88.5	Confident	71 Å²	71	68.5 Å²	68.5	37%	0.372	34%	0.336	S	S	.	.	H	α-helix	trans	-56.3	-42.2	169.8	179.5	65.6	0	0	0	111.4	D237 N238 R244 L245	D237-L242 PolarHBondContact OD1-N 2.96Å; N238-L242 HydrophobicContact CB-CB 4.37Å; N238-L242 WeakPolarHBondContact OD1-CB 3.35Å; N238-L242 PolarHBondContact OD1-N 3.25Å; L242-R244 PolarHBondContact O-N 3.41Å; L242-L245 PolarHBondContact O-N 3.37Å
243	A	90.6	Very high	88.2	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-39.3	-177.4	0	0	0	0	0	112.3	T226 V230 D237 G241 L245	T226-A243 HydrophobicContact CG2-CB 4.26Å; V230-A243 HydrophobicContact CG2-CB 3.77Å; D237-A243 HydrophobicContact CB-CB 3.98Å; D237-A243 PolarHBondContact OD1-N 3.5Å; G241-A243 VanDerWaalsContact C-N 3.25Å; G241-A243 PolarHBondContact O-N 3.06Å; A243-L245 PolarHBondContact O-N 3.17Å
244	R	89.5	Confident	87.9	Confident	74 Å²	74	70.5 Å²	70.5	28%	0.279	35%	0.354	S	S	.	.	H	α-helix	trans	-69.8	-31.3	179.7	62.4	168.6	-178	-171.8	-2.6	112.9	G241 L242 R246 L247 L248 G257	G241-R244 WeakPolarHBondContact O-CG 3.19Å; G241-R244 PolarHBondContact O-N 2.7Å; L242-R244 PolarHBondContact O-N 3.41Å; R244-R246 PolarHBondContact O-N 2.74Å; R244-R246 VanDerWaalsContact O-N 3.1Å; R244-L247 PolarHBondContact O-N 3.13Å; R244-L248 WeakPolarHBondContact O-CG 3.4Å; R244-L248 PolarHBondContact O-N 3.36Å; R244-G257 PolarHBondContact NH1-O 3.48Å
245	L	88.1	Confident	87.8	Confident	97 Å²	97	74.6 Å²	74.6	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-26.8	-177.7	-72.3	173.3	0	0	0	112.4	G241 L242 A243 L247 L248	G241-L245 PolarHBondContact O-N 2.95Å; L242-L245 PolarHBondContact O-N 3.37Å; A243-L245 PolarHBondContact O-N 3.17Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L248 HydrophobicContact CD2-CD1 4.38Å
246	R	85.9	Confident	87.5	Confident	84 Å²	84	73.1 Å²	73.1	32%	0.317	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.3	177.2	-62.6	179.2	174.5	146.4	-0.9	113.7	E235 R244	E235-R246 VanDerWaalsContact CD-NH1 3.33Å; E235-R246 IonicContact OE1-NH1 3.36Å; E235-R246 IonicContact OE1-NH2 3.1Å; E235-R246 IonicContact OE2-CZ 3.93Å; E235-R246 IonicContact OE2-NH1 3.43Å; E235-R246 PolarHBondContact OE2-NH1 3.34Å; E235-R246 IonicContact OE2-NH2 2.63Å; E235-R246 PolarHBondContact OE2-NH2 3.27Å; R244-R246 PolarHBondContact O-N 2.74Å; R244-R246 VanDerWaalsContact O-N 3.1Å
247	L	87.3	Confident	87	Confident	12 Å²	12	69.9 Å²	69.9	6%	0.063	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-21.2	-176.8	-59.6	-169.2	0	0	0	113.5	S225 L228 R244 L245 R249	S225-L247 WeakPolarHBondContact O-CD1 3.46Å; L228-L247 HydrophobicContact CB-CD1 3.39Å; R244-L247 PolarHBondContact O-N 3.13Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.39Å
248	L	85.2	Confident	86.7	Confident	27 Å²	27	74.1 Å²	74.1	14%	0.141	36%	0.36	C	S	.	.			trans	-71.2	126.2	-176.5	-58.2	176.3	0	0	0	110.4	R244 L245 E253 A254	R244-L248 WeakPolarHBondContact O-CG 3.4Å; R244-L248 PolarHBondContact O-N 3.36Å; L245-L248 HydrophobicContact CD2-CD1 4.38Å; L248-E253 HydrophobicContact CB-CB 4.13Å; L248-E253 HydrophobicContact CD1-CB 4.5Å; L248-E253 HydrophobicContact CD2-CB 4.08Å; L248-E253 HydrophobicContact CG-CB 4.42Å; L248-A254 HydrophobicContact CD1-CB 4.48Å
249	R	83	Confident	86.4	Confident	126 Å²	126	70.6 Å²	70.6	48%	0.475	34%	0.342	S	S	.	.			trans	-95.1	-25.1	-172.6	-65.6	179.3	177.1	-177.2	-3.9	112.7	L247 E253 H264	L247-R249 PolarHBondContact O-N 3.39Å; R249-E253 PolarHBondContact N-OE2 2.88Å; R249-E253 VanDerWaalsContact N-OE2 3.08Å; R249-H264 VanDerWaalsContact NH2-N 3.18Å; R249-H264 PolarHBondContact NH2-O 3.4Å; R249-H264 VanDerWaalsContact NH2-O 3.13Å
250	H	85.9	Confident	86.6	Confident	87 Å²	87	69 Å²	69	40%	0.403	32%	0.323	S	S	.	.	S	Bend	trans	-118.3	147.3	-173.4	-56.3	-59.5	0	0	0	112.7	H252 E253 A254	H250-H252 VanDerWaalsContact C-N 3.32Å; H250-H252 WeakPolarHBondContact CB-CE1 3.45Å; H250-H252 AromaticContact CD2-CE1 3.95Å; H250-H252 AromaticContact CG-CE1 3.69Å; H250-H252 PolarHBondContact O-N 2.94Å; H250-E253 HydrophobicContact CB-CG 4Å; H250-E253 IonicContact CD2-OE1 3.73Å; H250-E253 IonicContact CD2-OE2 2.74Å; H250-E253 PolarHBondContact N-OE2 3.47Å; H250-E253 WeakPolarHBondContact O-CA 3.2Å; H250-E253 WeakPolarHBondContact O-CB 3.31Å; H250-E253 PolarHBondContact O-N 2.93Å; H250-A254 PolarHBondContact O-N 3.19Å
251	K	85.7	Confident	86.8	Confident	162 Å²	162	59.5 Å²	59.5	70%	0.704	29%	0.29	S	S	*	.	H	α-helix	trans	-55.2	-44.5	-179.9	-175.6	175.3	174.8	178.1	0	112.8	E253 A254 E255	K251-E253 VanDerWaalsContact C-N 3.27Å; K251-E253 PolarHBondContact O-N 3.18Å; K251-A254 WeakPolarHBondContact O-CB 3.39Å; K251-A254 PolarHBondContact O-N 2.97Å; K251-E255 WeakPolarHBondContact CE-OE1 3.42Å; K251-E255 WeakPolarHBondContact CG-OE1 3.41Å; K251-E255 WeakPolarHBondContact O-CG 3.48Å; K251-E255 PolarHBondContact O-N 3.03Å
252	H	86.8	Confident	87.1	Confident	82 Å²	82	60 Å²	60	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-68.8	-24.2	178.1	64.1	-86.3	0	0	0	113.1	H250 S256 S260	H250-H252 VanDerWaalsContact C-N 3.32Å; H250-H252 WeakPolarHBondContact CB-CE1 3.45Å; H250-H252 AromaticContact CD2-CE1 3.95Å; H250-H252 AromaticContact CG-CE1 3.69Å; H250-H252 PolarHBondContact O-N 2.94Å; H252-S256 WeakPolarHBondContact O-CB 3.38Å; H252-S256 PolarHBondContact O-N 3.27Å; H252-S256 PolarHBondContact O-OG 3.29Å; H252-S260 PolarHBondContact NE2-OG 2.73Å
253	E	87.5	Confident	87.1	Confident	3 Å²	3	56.8 Å²	56.8	1%	0.014	28%	0.276	C	S	.	.	H	α-helix	trans	-70.7	-42.1	173.1	-64.6	-179	158.5	0	0	110.1	L248 R249 H250 K251 G257 R258 S260 S261	L248-E253 HydrophobicContact CB-CB 4.13Å; L248-E253 HydrophobicContact CD1-CB 4.5Å; L248-E253 HydrophobicContact CD2-CB 4.08Å; L248-E253 HydrophobicContact CG-CB 4.42Å; R249-E253 PolarHBondContact N-OE2 2.88Å; R249-E253 VanDerWaalsContact N-OE2 3.08Å; H250-E253 HydrophobicContact CB-CG 4Å; H250-E253 IonicContact CD2-OE1 3.73Å; H250-E253 IonicContact CD2-OE2 2.74Å; H250-E253 PolarHBondContact N-OE2 3.47Å; H250-E253 WeakPolarHBondContact O-CA 3.2Å; H250-E253 WeakPolarHBondContact O-CB 3.31Å; H250-E253 PolarHBondContact O-N 2.93Å; K251-E253 VanDerWaalsContact C-N 3.27Å; K251-E253 PolarHBondContact O-N 3.18Å; E253-G257 VanDerWaalsContact O-CA 3.22Å; E253-G257 WeakPolarHBondContact O-CA 3.36Å; E253-G257 PolarHBondContact O-N 3.25Å; E253-R258 WeakPolarHBondContact CG-O 3.4Å; E253-R258 PolarHBondContact O-N 2.82Å; E253-S260 WeakPolarHBondContact CG-OG 3.48Å; E253-S260 WeakPolarHBondContact OE1-CA 3.46Å; E253-S260 WeakPolarHBondContact OE1-CB 3.35Å; E253-S260 PolarHBondContact OE1-N 3.15Å; E253-S260 PolarHBondContact OE1-OG 3.49Å; E253-S261 PolarHBondContact OE1-N 2.98Å; E253-S261 VanDerWaalsContact OE1-N 3.14Å; E253-S261 PolarHBondContact OE1-OG 3.18Å
254	A	85.7	Confident	87.2	Confident	52 Å²	52	58.2 Å²	58.2	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-43.4	175	0	0	0	0	0	112.2	L248 H250 K251	L248-A254 HydrophobicContact CD1-CB 4.48Å; H250-A254 PolarHBondContact O-N 3.19Å; K251-A254 WeakPolarHBondContact O-CB 3.39Å; K251-A254 PolarHBondContact O-N 2.97Å
255	E	87.2	Confident	87.4	Confident	140 Å²	140	55.4 Å²	55.4	65%	0.654	27%	0.273	S	S	*	.	H	α-helix	trans	-68.8	-43.5	178.5	-70.1	168.9	178.2	0	0	112.7	K251	K251-E255 WeakPolarHBondContact CE-OE1 3.42Å; K251-E255 WeakPolarHBondContact CG-OE1 3.41Å; K251-E255 WeakPolarHBondContact O-CG 3.48Å; K251-E255 PolarHBondContact O-N 3.03Å
256	S	86.4	Confident	87.7	Confident	56 Å²	56	50.8 Å²	50.8	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-86.6	-16.2	-177.1	67.8	0	0	0	0	114	H252 R258	H252-S256 WeakPolarHBondContact O-CB 3.38Å; H252-S256 PolarHBondContact O-N 3.27Å; H252-S256 PolarHBondContact O-OG 3.29Å; S256-R258 PolarHBondContact O-N 3.19Å; S256-R258 PolarHBondContact OG-N 3.12Å
257	G	82.6	Confident	88.2	Confident	18 Å²	18	46.8 Å²	46.8	19%	0.186	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	18.1	-170.4	0	0	0	0	0	114.2	R244 E253	R244-G257 PolarHBondContact NH1-O 3.48Å; E253-G257 VanDerWaalsContact O-CA 3.22Å; E253-G257 WeakPolarHBondContact O-CA 3.36Å; E253-G257 PolarHBondContact O-N 3.25Å
258	R	86.1	Confident	88.6	Confident	104 Å²	104	46.2 Å²	46.2	39%	0.392	23%	0.231	S	C	.	.			trans	-120.8	121.8	-173.8	-63.9	169.9	-179.3	-169.4	-4.5	111.5	E253 S256 S260 H305	E253-R258 WeakPolarHBondContact CG-O 3.4Å; E253-R258 PolarHBondContact O-N 2.82Å; S256-R258 PolarHBondContact O-N 3.19Å; S256-R258 PolarHBondContact OG-N 3.12Å; R258-S260 PolarHBondContact O-N 2.87Å; R258-H305 PolarHBondContact NH1-CD2 3.12Å; R258-H305 PolarHBondContact NH1-NE2 3.16Å
259	T	87.4	Confident	89.1	Confident	12 Å²	12	45 Å²	45	7%	0.074	23%	0.225	C	C	.	.			trans	-60.9	130.8	169.7	-43.4	0	0	0	0	110.7	S225 S261 D301 A303 Y308	S225-T259 PolarHBondContact OG-OG1 3.31Å; S225-T259 VanDerWaalsContact OG-OG1 3.06Å; T259-S261 WeakPolarHBondContact CG2-O 3.17Å; T259-D301 WeakPolarHBondContact CG2-OD2 3.41Å; T259-D301 PolarHBondContact OG1-OD2 2.8Å; T259-A303 VanDerWaalsContact O-CB 3.24Å; T259-A303 WeakPolarHBondContact O-CB 3.27Å; T259-Y308 WeakPolarHBondContact O-CD2 3.35Å
260	S	89.3	Confident	89.5	Confident	15 Å²	15	40.6 Å²	40.6	11%	0.105	21%	0.21	C	C	.	.			trans	-120.2	-23.8	-176.9	69.6	0	0	0	0	113.4	H252 E253 R258	H252-S260 PolarHBondContact NE2-OG 2.73Å; E253-S260 WeakPolarHBondContact CG-OG 3.48Å; E253-S260 WeakPolarHBondContact OE1-CA 3.46Å; E253-S260 WeakPolarHBondContact OE1-CB 3.35Å; E253-S260 PolarHBondContact OE1-N 3.15Å; E253-S260 PolarHBondContact OE1-OG 3.49Å; R258-S260 PolarHBondContact O-N 2.87Å
261	S	89.5	Confident	89.6	Confident	23 Å²	23	38.3 Å²	38.3	16%	0.161	20%	0.204	C	C	.	.	S	Bend	trans	-106.4	164.6	179.6	62.6	0	0	0	0	111.4	E253 T259	E253-S261 PolarHBondContact OE1-N 2.98Å; E253-S261 VanDerWaalsContact OE1-N 3.14Å; E253-S261 PolarHBondContact OE1-OG 3.18Å; T259-S261 WeakPolarHBondContact CG2-O 3.17Å
262	V	90.1	Very high	89.7	Confident	15 Å²	15	36.1 Å²	36.1	9%	0.091	20%	0.199	C	C	.	.			trans	-81.9	117.1	164.3	-177.7	0	0	0	0	106.5	I300 L302 T311 F314	V262-I300 HydrophobicContact CG1-CG2 3.4Å; V262-I300 VanDerWaalsContact CG1-CG2 3.4Å; V262-L302 HydrophobicContact CB-CD2 4.49Å; V262-L302 HydrophobicContact CG1-CD2 3.99Å; V262-L302 HydrophobicContact CG2-CD2 3.97Å; V262-T311 HydrophobicContact CG2-CG2 3.51Å; V262-F314 HydrophobicContact CG2-CD1 4.44Å
263	A	90.1	Very high	89.7	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.6	174.8	0	0	0	0	0	110.2	I300 D301	A263-I300 CarbonylContact O-C 3.57Å; A263-I300 WeakPolarHBondContact O-CA 3.45Å; A263-D301 HydrophobicContact CB-CB 4.25Å; A263-D301 PolarHBondContact N-O 2.89Å; A263-D301 PolarHBondContact O-N 3.34Å
264	H	92.4	Very high	89.9	Confident	30 Å²	30	39 Å²	39	14%	0.139	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.5	174.1	-65.7	-62.5	0	0	0	108.8	R249 W286 F299 H319	R249-H264 VanDerWaalsContact NH2-N 3.18Å; R249-H264 PolarHBondContact NH2-O 3.4Å; R249-H264 VanDerWaalsContact NH2-O 3.13Å; H264-W286 HydrophobicContact CB-CH2 3.9Å; H264-W286 WeakPolarHBondContact O-CH2 3.41Å; H264-W286 VanDerWaalsContact O-CZ2 3.29Å; H264-W286 WeakPolarHBondContact O-CZ2 3.49Å; H264-F299 VanDerWaalsContact CA-O 3.31Å; H264-F299 WeakPolarHBondContact CA-O 3.35Å; H264-H319 AromaticContact CE1-CE1 3.56Å; H264-H319 AromaticContact CE1-CG 3.89Å; H264-H319 AromaticContact CE1-ND1 3.49Å; H264-H319 PolarHBondContact CE1-ND1 3.12Å; H264-H319 AromaticContact NE2-CE1 3.13Å; H264-H319 PolarHBondContact NE2-CE1 3.47Å; H264-H319 AromaticContact NE2-ND1 3.46Å; H264-H319 PolarHBondContact NE2-ND1 2.87Å; H264-H319 AromaticContact NE2-NE2 3.8Å
265	D	93.5	Very high	90.3	Very high	16 Å²	16	39 Å²	39	9%	0.086	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.1	172.4	-68.4	-63.7	0	0	0	109.3	T232 F299	T232-D265 HydrophobicContact CG2-CB 4.1Å; D265-F299 PolarHBondContact N-O 2.98Å; D265-F299 PolarHBondContact O-N 2.72Å
266	I	95.1	Very high	90.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.2	-173	66.6	172	0	0	0	112	T232 N277 W286 I289 V296 I297 K497	T232-I266 WeakPolarHBondContact CG2-O 3.4Å; I266-N277 PolarHBondContact O-ND2 3.05Å; I266-W286 HydrophobicContact CD1-CB 3.78Å; I266-W286 HydrophobicContact CD1-CD2 3.81Å; I266-W286 HydrophobicContact CD1-CE3 4.29Å; I266-W286 HydrophobicContact CD1-CG 3.58Å; I266-W286 HydrophobicContact CG1-CD2 4.13Å; I266-W286 HydrophobicContact CG1-CG 4.17Å; I266-W286 HydrophobicContact CG2-CD2 4.34Å; I266-W286 HydrophobicContact CG2-CE3 4.15Å; I266-W286 HydrophobicContact CG2-CH2 4.15Å; I266-W286 HydrophobicContact CG2-CZ2 4.32Å; I266-W286 HydrophobicContact CG2-CZ3 4.06Å; I266-I289 HydrophobicContact CD1-CB 4.04Å; I266-I289 HydrophobicContact CD1-CD1 4.26Å; I266-I289 HydrophobicContact CD1-CG2 3.78Å; I266-I289 HydrophobicContact CG1-CD1 4.4Å; I266-I289 HydrophobicContact CG1-CG2 4.29Å; I266-V296 HydrophobicContact CB-CG1 4Å; I266-V296 HydrophobicContact CG2-CG1 4.25Å; I266-I297 WeakPolarHBondContact CA-O 3.33Å; I266-K497 HydrophobicContact CG2-CD 4.25Å
267	L	96	Very high	91	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.4	169.8	177	68.9	0	0	0	108.6	L231 F269 V275 V296 I297 F299 L429	L231-L267 WeakPolarHBondContact O-CD1 3.49Å; L267-F269 HydrophobicContact CD2-CE2 3.85Å; L267-F269 HydrophobicContact CD2-CZ 3.64Å; L267-F269 HydrophobicContact CG-CE2 4.01Å; L267-F269 HydrophobicContact CG-CZ 4.08Å; L267-V275 HydrophobicContact CD1-CB 4.4Å; L267-V275 HydrophobicContact CD1-CG1 3.49Å; L267-V275 VanDerWaalsContact CD1-CG1 3.49Å; L267-V275 HydrophobicContact CD1-CG2 4.01Å; L267-V296 WeakPolarHBondContact O-CA 3.1Å; L267-I297 HydrophobicContact CB-CB 4.36Å; L267-I297 PolarHBondContact N-O 2.93Å; L267-I297 PolarHBondContact O-N 3.07Å; L267-F299 HydrophobicContact CB-CE2 3.72Å; L267-F299 HydrophobicContact CB-CZ 4.47Å; L267-F299 HydrophobicContact CD2-CE2 4.29Å; L267-F299 HydrophobicContact CD2-CZ 4.35Å; L267-L429 HydrophobicContact CD2-CD1 4.26Å
268	G	95.2	Very high	91.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.6	-179.4	0	0	0	0	0	112.6	V275 V276 N277 S293	G268-V275 WeakPolarHBondContact O-CA 3.24Å; G268-V276 PolarHBondContact O-N 2.85Å; G268-N277 PolarHBondContact N-OD1 2.95Å; G268-S293 WeakPolarHBondContact CA-OG 3.4Å
269	F	94.8	Very high	91.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134	173.7	-65.3	-81	0	0	0	110.2	L267 G273 Q274 V275 S293 A294 K295 I297 K426 L429 N430	L267-F269 HydrophobicContact CD2-CE2 3.85Å; L267-F269 HydrophobicContact CD2-CZ 3.64Å; L267-F269 HydrophobicContact CG-CE2 4.01Å; L267-F269 HydrophobicContact CG-CZ 4.08Å; F269-G273 WeakPolarHBondContact CD1-O 3.44Å; F269-Q274 VanDerWaalsContact CA-O 3.31Å; F269-Q274 WeakPolarHBondContact CA-O 3.49Å; F269-V275 HydrophobicContact CD1-CG2 4.08Å; F269-V275 HydrophobicContact CE1-CG2 3.64Å; F269-V275 HydrophobicContact CZ-CG2 4.37Å; F269-S293 CarbonylContact O-C 3.52Å; F269-S293 VanDerWaalsContact O-CA 3.3Å; F269-S293 WeakPolarHBondContact O-CA 3.39Å; F269-A294 PolarHBondContact O-N 3.12Å; F269-K295 HydrophobicContact CB-CB 4.41Å; F269-K295 PolarHBondContact N-O 3.42Å; F269-K295 PolarHBondContact O-N 3Å; F269-K295 VanDerWaalsContact O-N 3.16Å; F269-I297 HydrophobicContact CD2-CG1 4.19Å; F269-I297 HydrophobicContact CE2-CG1 3.68Å; F269-K426 WeakPolarHBondContact CZ-O 3.28Å; F269-L429 HydrophobicContact CE2-CB 4.36Å; F269-L429 HydrophobicContact CZ-CB 4.26Å; F269-N430 HydrophobicContact CD1-CB 3.9Å; F269-N430 HydrophobicContact CD2-CB 4.26Å; F269-N430 HydrophobicContact CE1-CB 3.82Å; F269-N430 HydrophobicContact CE2-CB 4.19Å; F269-N430 HydrophobicContact CG-CB 4.1Å; F269-N430 HydrophobicContact CZ-CB 3.97Å
270	N	92.3	Very high	90.8	Very high	32 Å²	32	40 Å²	40	17%	0.171	22%	0.215	C	C	.	.			trans	-70.6	177.2	170.8	69.9	8.7	0	0	0	111.1	R201 I272 G273 Q274 V276	R201-N270 PolarHBondContact NH1-O 3.37Å; R201-N270 VanDerWaalsContact NH1-O 3.12Å; N270-I272 PolarHBondContact O-N 3.36Å; N270-I272 PolarHBondContact OD1-N 2.8Å; N270-I272 VanDerWaalsContact OD1-N 3.14Å; N270-G273 PolarHBondContact O-N 3.5Å; N270-G273 PolarHBondContact OD1-N 3.23Å; N270-Q274 PolarHBondContact N-O 3.27Å; N270-Q274 PolarHBondContact ND2-OE1 3.41Å; N270-Q274 PolarHBondContact OD1-N 3.08Å; N270-Q274 PolarHBondContact OD1-O 3.09Å; N270-V276 HydrophobicContact CB-CG1 3.77Å
271	S	87.5	Confident	90.3	Very high	39 Å²	39	47.9 Å²	47.9	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.1	178.9	51.3	0	0	0	0	113	I81 R201	I81-S271 WeakPolarHBondContact CD1-O 3.44Å; R201-S271 PolarHBondContact NH1-O 3Å
272	I	87.6	Confident	89.5	Confident	116 Å²	116	48.1 Å²	48.1	60%	0.595	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.5	-179.5	-54.3	171.9	0	0	0	112.3	N270	N270-I272 PolarHBondContact O-N 3.36Å; N270-I272 PolarHBondContact OD1-N 2.8Å; N270-I272 VanDerWaalsContact OD1-N 3.14Å
273	G	87.6	Confident	89.1	Confident	20 Å²	20	54.4 Å²	54.4	21%	0.206	28%	0.284	C	S	.	.	S	Bend	trans	101.2	13.9	-178	0	0	0	0	0	115.3	F269 N270	F269-G273 WeakPolarHBondContact CD1-O 3.44Å; N270-G273 PolarHBondContact O-N 3.5Å; N270-G273 PolarHBondContact OD1-N 3.23Å
274	Q	92.2	Very high	89	Confident	125 Å²	125	55.4 Å²	55.4	58%	0.584	29%	0.289	S	S	*	.			trans	-84.4	146.5	171.1	-60.7	174.5	-27.8	0	0	111	F269 N270	F269-Q274 VanDerWaalsContact CA-O 3.31Å; F269-Q274 WeakPolarHBondContact CA-O 3.49Å; N270-Q274 PolarHBondContact N-O 3.27Å; N270-Q274 PolarHBondContact ND2-OE1 3.41Å; N270-Q274 PolarHBondContact OD1-N 3.08Å; N270-Q274 PolarHBondContact OD1-O 3.09Å
275	V	94.6	Very high	88.9	Confident	53 Å²	53	57.4 Å²	57.4	32%	0.321	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-71.1	128.7	178.9	175	0	0	0	0	110.7	L267 G268 F269 N277 K426	L267-V275 HydrophobicContact CD1-CB 4.4Å; L267-V275 HydrophobicContact CD1-CG1 3.49Å; L267-V275 VanDerWaalsContact CD1-CG1 3.49Å; L267-V275 HydrophobicContact CD1-CG2 4.01Å; G268-V275 WeakPolarHBondContact O-CA 3.24Å; F269-V275 HydrophobicContact CD1-CG2 4.08Å; F269-V275 HydrophobicContact CE1-CG2 3.64Å; F269-V275 HydrophobicContact CZ-CG2 4.37Å; V275-N277 HydrophobicContact CG1-CB 3.9Å; V275-K426 HydrophobicContact CG2-CD 4.18Å
276	V	94.1	Very high	88.8	Confident	24 Å²	24	58.2 Å²	58.2	15%	0.145	30%	0.302	C	S	.	.			trans	-97	-9.8	-179.6	-55.8	0	0	0	0	114	G268 N270 K278 I289 A292 S293	G268-V276 PolarHBondContact O-N 2.85Å; N270-V276 HydrophobicContact CB-CG1 3.77Å; V276-K278 PolarHBondContact O-N 2.88Å; V276-K278 VanDerWaalsContact O-N 3.11Å; V276-I289 HydrophobicContact CG2-CG2 4.09Å; V276-A292 HydrophobicContact CB-CB 4.29Å; V276-A292 HydrophobicContact CG1-CB 4.39Å; V276-A292 HydrophobicContact CG2-CB 4.33Å; V276-S293 WeakPolarHBondContact CG2-OG 3.4Å
277	N	92.7	Very high	88.6	Confident	16 Å²	16	59.6 Å²	59.6	9%	0.086	31%	0.311	C	S	.	.			trans	-58.6	115.5	-179.6	-73.4	45.5	0	0	0	111.3	T232 I266 G268 V275	T232-N277 WeakPolarHBondContact O-CB 3.13Å; T232-N277 PolarHBondContact O-ND2 2.86Å; I266-N277 PolarHBondContact O-ND2 3.05Å; G268-N277 PolarHBondContact N-OD1 2.95Å; V275-N277 HydrophobicContact CG1-CB 3.9Å
278	K	88.1	Confident	88.4	Confident	169 Å²	169	64.4 Å²	64.4	74%	0.735	33%	0.334	S	S	*	.			trans	-124.3	96.4	174.2	-67.7	175.5	-174.8	178	0	108.7	V276 I280	V276-K278 PolarHBondContact O-N 2.88Å; V276-K278 VanDerWaalsContact O-N 3.11Å; K278-I280 PolarHBondContact O-N 2.88Å
279	P	83.4	Confident	88.3	Confident	37 Å²	37	64.7 Å²	64.7	24%	0.24	34%	0.336	C	S	.	.			trans	-69.1	129	176.3	28.4	-33.7	0	0	0	110.5	H233 H283 L284	H233-P279 HydrophobicContact CB-CG 4.23Å; H233-P279 VanDerWaalsContact O-CG 3.26Å; H233-P279 WeakPolarHBondContact O-CG 3.46Å; P279-H283 WeakPolarHBondContact CA-O 3.37Å; P279-L284 HydrophobicContact CB-CD2 3.85Å
280	I	81.6	Confident	88.3	Confident	105 Å²	105	64.7 Å²	64.7	54%	0.538	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-102.9	117.8	173	-58.3	173.5	0	0	0	106.8	K278 G282 H283	K278-I280 PolarHBondContact O-N 2.88Å; I280-G282 PolarHBondContact O-N 3.47Å; I280-G282 VanDerWaalsContact O-N 3.16Å; I280-H283 PolarHBondContact N-O 2.76Å; I280-H283 PolarHBondContact O-N 3.12Å
281	H	77.1	Confident	88.2	Confident	180 Å²	180	67.8 Å²	67.8	83%	0.833	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.5	-174.9	-56	-60.5	0	0	0	114.1	H283	H281-H283 PolarHBondContact O-N 3.28Å
282	G	73.8	Confident	88.4	Confident	28 Å²	28	68.6 Å²	68.6	29%	0.289	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-0.4	-178.9	0	0	0	0	0	114.9	H233 I280	H233-G282 PolarHBondContact CE1-O 3.49Å; I280-G282 PolarHBondContact O-N 3.47Å; I280-G282 VanDerWaalsContact O-N 3.16Å
283	H	82.2	Confident	88.7	Confident	147 Å²	147	63.4 Å²	63.4	68%	0.681	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-100.5	136.5	175.2	-65	-68.8	0	0	0	111.1	P279 I280 H281	P279-H283 WeakPolarHBondContact CA-O 3.37Å; I280-H283 PolarHBondContact N-O 2.76Å; I280-H283 PolarHBondContact O-N 3.12Å; H281-H283 PolarHBondContact O-N 3.28Å
284	L	87.7	Confident	88.9	Confident	25 Å²	25	63 Å²	63	13%	0.131	33%	0.327	C	S	.	.			trans	-97.6	124.6	176.3	-66.6	169.4	0	0	0	109.6	P279 I289	P279-L284 HydrophobicContact CB-CD2 3.85Å; L284-I289 HydrophobicContact CB-CD1 4.17Å; L284-I289 HydrophobicContact CD2-CD1 4.15Å
285	N	90.4	Very high	88.9	Confident	71 Å²	71	57 Å²	57	38%	0.38	30%	0.299	S	S	.	.			trans	-89.1	106.1	171.8	-164.9	-8.8	0	0	0	110.3	S287 E288 I289	N285-S287 VanDerWaalsContact C-N 3.34Å; N285-S287 PolarHBondContact O-N 3.43Å; N285-S287 PolarHBondContact OD1-N 3Å; N285-E288 HydrophobicContact CB-CB 4.4Å; N285-E288 HydrophobicContact CB-CG 4.35Å; N285-E288 VanDerWaalsContact ND2-CD 3.29Å; N285-E288 PolarHBondContact ND2-OE1 3.2Å; N285-I289 WeakPolarHBondContact O-CD1 3.48Å; N285-I289 VanDerWaalsContact O-CG1 3.29Å; N285-I289 WeakPolarHBondContact O-CG1 3.34Å; N285-I289 PolarHBondContact O-N 2.82Å
286	W	91.8	Very high	88.9	Confident	34 Å²	34	54.5 Å²	54.5	13%	0.129	28%	0.283	C	S	.	.	H	α-helix	trans	-69.4	-28.9	-173.1	-71.1	22.6	0	0	0	113.5	H264 I266 C290 K497	H264-W286 HydrophobicContact CB-CH2 3.9Å; H264-W286 WeakPolarHBondContact O-CH2 3.41Å; H264-W286 VanDerWaalsContact O-CZ2 3.29Å; H264-W286 WeakPolarHBondContact O-CZ2 3.49Å; I266-W286 HydrophobicContact CD1-CB 3.78Å; I266-W286 HydrophobicContact CD1-CD2 3.81Å; I266-W286 HydrophobicContact CD1-CE3 4.29Å; I266-W286 HydrophobicContact CD1-CG 3.58Å; I266-W286 HydrophobicContact CG1-CD2 4.13Å; I266-W286 HydrophobicContact CG1-CG 4.17Å; I266-W286 HydrophobicContact CG2-CD2 4.34Å; I266-W286 HydrophobicContact CG2-CE3 4.15Å; I266-W286 HydrophobicContact CG2-CH2 4.15Å; I266-W286 HydrophobicContact CG2-CZ2 4.32Å; I266-W286 HydrophobicContact CG2-CZ3 4.06Å; W286-C290 WeakPolarHBondContact O-CB 3.5Å; W286-C290 PolarHBondContact O-N 2.86Å; W286-C290 PolarHBondContact O-SG 3.16Å; W286-K497 HydrophobicContact CE3-CB 4.3Å
287	S	91.2	Very high	89	Confident	28 Å²	28	53.3 Å²	53.3	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-52.8	178.9	-157.7	0	0	0	0	110.6	N285 I289 C290 E291	N285-S287 VanDerWaalsContact C-N 3.34Å; N285-S287 PolarHBondContact O-N 3.43Å; N285-S287 PolarHBondContact OD1-N 3Å; S287-I289 VanDerWaalsContact C-N 3.31Å; S287-I289 PolarHBondContact O-N 2.86Å; S287-C290 PolarHBondContact O-N 3.18Å; S287-C290 VanDerWaalsContact O-N 3.07Å; S287-E291 WeakPolarHBondContact O-CG 3.48Å; S287-E291 PolarHBondContact O-N 2.68Å; S287-E291 PolarHBondContact OG-OE1 2.7Å
288	E	91.6	Very high	89.2	Confident	101 Å²	101	52.9 Å²	52.9	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-40.3	179.1	-68	170.1	-157.1	0	0	112.2	N285 E291 A292	N285-E288 HydrophobicContact CB-CB 4.4Å; N285-E288 HydrophobicContact CB-CG 4.35Å; N285-E288 VanDerWaalsContact ND2-CD 3.29Å; N285-E288 PolarHBondContact ND2-OE1 3.2Å; E288-E291 PolarHBondContact O-N 3.36Å; E288-A292 WeakPolarHBondContact O-CB 3.2Å; E288-A292 PolarHBondContact O-N 3.31Å
289	I	93.2	Very high	89.6	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-46.8	175.6	-67.8	167	0	0	0	109.9	I266 V276 L284 N285 S287 A292 S293	I266-I289 HydrophobicContact CD1-CB 4.04Å; I266-I289 HydrophobicContact CD1-CD1 4.26Å; I266-I289 HydrophobicContact CD1-CG2 3.78Å; I266-I289 HydrophobicContact CG1-CD1 4.4Å; I266-I289 HydrophobicContact CG1-CG2 4.29Å; V276-I289 HydrophobicContact CG2-CG2 4.09Å; L284-I289 HydrophobicContact CB-CD1 4.17Å; L284-I289 HydrophobicContact CD2-CD1 4.15Å; N285-I289 WeakPolarHBondContact O-CD1 3.48Å; N285-I289 VanDerWaalsContact O-CG1 3.29Å; N285-I289 WeakPolarHBondContact O-CG1 3.34Å; N285-I289 PolarHBondContact O-N 2.82Å; S287-I289 VanDerWaalsContact C-N 3.31Å; S287-I289 PolarHBondContact O-N 2.86Å; I289-A292 PolarHBondContact O-N 3.07Å; I289-S293 WeakPolarHBondContact O-CB 3.5Å; I289-S293 PolarHBondContact O-N 2.85Å; I289-S293 VanDerWaalsContact O-N 3.14Å; I289-S293 PolarHBondContact O-OG 3.01Å
290	C	92.9	Very high	90.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-41.9	-179.3	-65.1	0	0	0	0	112	F209 W286 S287 A292 S293 L499	F209-C290 HydrophobicContact CD1-CB 4.1Å; F209-C290 HydrophobicContact CE1-CB 3.78Å; F209-C290 HydrophobicContact CZ-CB 4.43Å; W286-C290 WeakPolarHBondContact O-CB 3.5Å; W286-C290 PolarHBondContact O-N 2.86Å; W286-C290 PolarHBondContact O-SG 3.16Å; S287-C290 PolarHBondContact O-N 3.18Å; S287-C290 VanDerWaalsContact O-N 3.07Å; C290-A292 VanDerWaalsContact C-N 3.32Å; C290-A292 PolarHBondContact O-N 3.13Å; C290-S293 PolarHBondContact O-N 3Å; C290-L499 HydrophobicContact CB-CB 4.41Å; C290-L499 HydrophobicContact CB-CD2 4.12Å
291	E	91.4	Very high	90.8	Very high	97 Å²	97	38.3 Å²	38.3	45%	0.453	20%	0.203	S	C	.	.	H	α-helix	trans	-63.3	-35.7	178.3	-72.4	164.4	-146.6	0	0	112.7	S287 E288 L499	S287-E291 WeakPolarHBondContact O-CG 3.48Å; S287-E291 PolarHBondContact O-N 2.68Å; S287-E291 PolarHBondContact OG-OE1 2.7Å; E288-E291 PolarHBondContact O-N 3.36Å; E291-L499 HydrophobicContact CG-CD1 3.58Å; E291-L499 HydrophobicContact CG-CD2 4.5Å
292	A	91.4	Very high	91.6	Very high	56 Å²	56	29.7 Å²	29.7	46%	0.463	16%	0.164	S	C	.	.	H	α-helix	trans	-85.8	-7.5	178.1	0	0	0	0	0	113.9	V276 E288 I289 C290	V276-A292 HydrophobicContact CB-CB 4.29Å; V276-A292 HydrophobicContact CG1-CB 4.39Å; V276-A292 HydrophobicContact CG2-CB 4.33Å; E288-A292 WeakPolarHBondContact O-CB 3.2Å; E288-A292 PolarHBondContact O-N 3.31Å; I289-A292 PolarHBondContact O-N 3.07Å; C290-A292 VanDerWaalsContact C-N 3.32Å; C290-A292 PolarHBondContact O-N 3.13Å
293	S	92.9	Very high	92.5	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.049	15%	0.15	C	C	.	.			trans	-99.6	131	-173.8	-66.9	0	0	0	0	112.1	G268 F269 V276 I289 C290 K295	G268-S293 WeakPolarHBondContact CA-OG 3.4Å; F269-S293 CarbonylContact O-C 3.52Å; F269-S293 VanDerWaalsContact O-CA 3.3Å; F269-S293 WeakPolarHBondContact O-CA 3.39Å; V276-S293 WeakPolarHBondContact CG2-OG 3.4Å; I289-S293 WeakPolarHBondContact O-CB 3.5Å; I289-S293 PolarHBondContact O-N 2.85Å; I289-S293 VanDerWaalsContact O-N 3.14Å; I289-S293 PolarHBondContact O-OG 3.01Å; C290-S293 PolarHBondContact O-N 3Å; S293-K295 VanDerWaalsContact C-N 3.35Å
294	A	91.9	Very high	92.8	Very high	11 Å²	11	21.7 Å²	21.7	9%	0.091	12%	0.121	C	C	.	.	S	Bend	trans	-76.6	-30.1	161.9	0	0	0	0	0	111.1	V210 F269	V210-A294 PolarHBondContact N-O 2.99Å; F269-A294 PolarHBondContact O-N 3.12Å
295	K	92.9	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.7	-178.6	-179.7	172.5	-168.3	159.2	0	111.4	E42 V210 F269 S293 I297 N430 L432	E42-K295 IonicContact OE1-NZ 2.83Å; E42-K295 PolarHBondContact OE1-NZ 2.83Å; E42-K295 IonicContact OE2-NZ 2.75Å; E42-K295 PolarHBondContact OE2-NZ 3.39Å; V210-K295 HydrophobicContact CB-CB 4.29Å; V210-K295 HydrophobicContact CB-CG 4.17Å; V210-K295 HydrophobicContact CG1-CG 4.49Å; V210-K295 CarbonylContact O-C 3.51Å; V210-K295 WeakPolarHBondContact O-CA 3.26Å; F269-K295 HydrophobicContact CB-CB 4.41Å; F269-K295 PolarHBondContact N-O 3.42Å; F269-K295 PolarHBondContact O-N 3Å; F269-K295 VanDerWaalsContact O-N 3.16Å; S293-K295 VanDerWaalsContact C-N 3.35Å; K295-I297 HydrophobicContact CG-CD1 4.42Å; K295-N430 WeakPolarHBondContact CD-O 3.38Å; K295-N430 WeakPolarHBondContact CE-O 3.3Å; K295-N430 PolarHBondContact NZ-O 3.39Å; K295-L432 VanDerWaalsContact CE-O 3.27Å; K295-L432 WeakPolarHBondContact CE-O 3.29Å; K295-L432 PolarHBondContact NZ-O 3.04Å
296	V	94.7	Very high	92.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.5	179.6	179.8	0	0	0	0	109.5	F209 V210 V212 I266 L267 K497	F209-V296 HydrophobicContact CB-CG2 4.3Å; F209-V296 HydrophobicContact CD2-CB 3.8Å; F209-V296 HydrophobicContact CD2-CG2 3.6Å; F209-V296 HydrophobicContact CE2-CB 4.08Å; F209-V296 HydrophobicContact CE2-CG2 4.06Å; F209-V296 HydrophobicContact CG-CG2 3.91Å; V210-V296 PolarHBondContact O-N 3.35Å; V212-V296 PolarHBondContact N-O 3.13Å; I266-V296 HydrophobicContact CB-CG1 4Å; I266-V296 HydrophobicContact CG2-CG1 4.25Å; L267-V296 WeakPolarHBondContact O-CA 3.1Å; V296-K497 HydrophobicContact CG1-CD 4.01Å
297	I	96.3	Very high	92.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.1	169.9	-52.7	-55.5	0	0	0	108.6	V212 V214 I266 L267 F269 K295 F299 L429	V212-I297 HydrophobicContact CB-CD1 3.73Å; V212-I297 HydrophobicContact CG1-CD1 4.28Å; V212-I297 HydrophobicContact CG2-CD1 4.25Å; V212-I297 CarbonylContact O-C 3.49Å; V212-I297 WeakPolarHBondContact O-CA 3.42Å; V214-I297 HydrophobicContact CB-CG2 4.32Å; V214-I297 HydrophobicContact CG2-CG2 3.71Å; I266-I297 WeakPolarHBondContact CA-O 3.33Å; L267-I297 HydrophobicContact CB-CB 4.36Å; L267-I297 PolarHBondContact N-O 2.93Å; L267-I297 PolarHBondContact O-N 3.07Å; F269-I297 HydrophobicContact CD2-CG1 4.19Å; F269-I297 HydrophobicContact CE2-CG1 3.68Å; K295-I297 HydrophobicContact CG-CD1 4.42Å; I297-F299 HydrophobicContact CB-CZ 4.47Å; I297-F299 HydrophobicContact CG2-CD1 4.25Å; I297-F299 HydrophobicContact CG2-CE1 3.78Å; I297-F299 HydrophobicContact CG2-CE2 4.21Å; I297-F299 HydrophobicContact CG2-CZ 3.77Å; I297-L429 WeakPolarHBondContact CD1-O 3.38Å; I297-L429 HydrophobicContact CG1-CB 4.38Å; I297-L429 HydrophobicContact CG2-CD2 4.49Å
298	T	95.8	Very high	92.5	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	106.7	176.2	-55	0	0	0	0	109.7	D211 V212 R213 V214 K497	D211-T298 PolarHBondContact OD1-OG1 3.24Å; V212-T298 PolarHBondContact O-N 2.75Å; R213-T298 WeakPolarHBondContact CA-O 3.4Å; V214-T298 PolarHBondContact N-O 2.72Å; T298-K497 WeakPolarHBondContact OG1-CE 3.28Å; T298-K497 PolarHBondContact OG1-NZ 3.33Å
299	F	96.9	Very high	92.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	136.4	172.1	-62.6	-67.3	0	0	0	110.8	V214 V216 L228 L231 T232 H264 D265 L267 I297 M325 L429	V214-F299 HydrophobicContact CB-CD1 4.05Å; V214-F299 HydrophobicContact CB-CE1 4.27Å; V214-F299 HydrophobicContact CG1-CD1 4.33Å; V214-F299 HydrophobicContact CG1-CE1 4.39Å; V214-F299 WeakPolarHBondContact O-CA 3.43Å; V216-F299 HydrophobicContact CG2-CB 4.39Å; V216-F299 HydrophobicContact CG2-CD1 4.06Å; L228-F299 HydrophobicContact CD1-CB 4.29Å; L228-F299 HydrophobicContact CD2-CB 3.57Å; L228-F299 HydrophobicContact CD2-CD1 3.55Å; L228-F299 HydrophobicContact CD2-CD2 3.63Å; L228-F299 HydrophobicContact CD2-CE1 4.09Å; L228-F299 HydrophobicContact CD2-CE2 4.13Å; L228-F299 HydrophobicContact CD2-CG 3.28Å; L228-F299 HydrophobicContact CD2-CZ 4.35Å; L231-F299 HydrophobicContact CD1-CZ 4.1Å; T232-F299 HydrophobicContact CG2-CD2 4.25Å; T232-F299 HydrophobicContact CG2-CE2 4.4Å; H264-F299 VanDerWaalsContact CA-O 3.31Å; H264-F299 WeakPolarHBondContact CA-O 3.35Å; D265-F299 PolarHBondContact N-O 2.98Å; D265-F299 PolarHBondContact O-N 2.72Å; L267-F299 HydrophobicContact CB-CE2 3.72Å; L267-F299 HydrophobicContact CB-CZ 4.47Å; L267-F299 HydrophobicContact CD2-CE2 4.29Å; L267-F299 HydrophobicContact CD2-CZ 4.35Å; I297-F299 HydrophobicContact CB-CZ 4.47Å; I297-F299 HydrophobicContact CG2-CD1 4.25Å; I297-F299 HydrophobicContact CG2-CE1 3.78Å; I297-F299 HydrophobicContact CG2-CE2 4.21Å; I297-F299 HydrophobicContact CG2-CZ 3.77Å; F299-M325 HydrophobicContact CE1-CE 4.5Å; F299-L429 HydrophobicContact CE1-CD1 4.35Å; F299-L429 HydrophobicContact CE1-CD2 4.47Å; F299-L429 HydrophobicContact CZ-CD1 3.88Å
300	I	95.8	Very high	92.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	99.3	171.5	-51.2	166.9	0	0	0	106.2	R213 V214 A215 V216 V262 A263 L302 H319 P321	R213-I300 HydrophobicContact CB-CD1 4.4Å; V214-I300 PolarHBondContact O-N 3.05Å; A215-I300 HydrophobicContact CB-CB 4.48Å; V216-I300 PolarHBondContact N-O 2.81Å; V262-I300 HydrophobicContact CG1-CG2 3.4Å; V262-I300 VanDerWaalsContact CG1-CG2 3.4Å; A263-I300 CarbonylContact O-C 3.57Å; A263-I300 WeakPolarHBondContact O-CA 3.45Å; I300-L302 HydrophobicContact CG2-CD2 3.7Å; I300-L302 HydrophobicContact CG2-CG 4.19Å; I300-L302 PolarHBondContact O-N 3.05Å; I300-H319 HydrophobicContact CD1-CB 3.66Å; I300-P321 HydrophobicContact CD1-CB 4.14Å
301	D	94.7	Very high	92	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.6	178.5	-169.9	23.5	0	0	0	109.3	S225 L228 T259 A263	S225-D301 PolarHBondContact OG-OD2 2.92Å; L228-D301 HydrophobicContact CD1-CB 3.67Å; T259-D301 WeakPolarHBondContact CG2-OD2 3.41Å; T259-D301 PolarHBondContact OG1-OD2 2.8Å; A263-D301 HydrophobicContact CB-CB 4.25Å; A263-D301 PolarHBondContact N-O 2.89Å; A263-D301 PolarHBondContact O-N 3.34Å
302	L	94.1	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.			trans	-111.2	145.2	-178.8	-57.3	-179.4	0	0	0	111.6	A215 V216 V217 K224 V262 I300 T312 M316	A215-L302 HydrophobicContact CB-CD1 4.01Å; V216-L302 WeakPolarHBondContact O-CB 3.49Å; V216-L302 PolarHBondContact O-N 3.13Å; V217-L302 HydrophobicContact CG1-CB 4.19Å; V217-L302 HydrophobicContact CG1-CD1 3.65Å; V217-L302 HydrophobicContact CG1-CG 4.4Å; K224-L302 WeakPolarHBondContact CE-O 3.32Å; V262-L302 HydrophobicContact CB-CD2 4.49Å; V262-L302 HydrophobicContact CG1-CD2 3.99Å; V262-L302 HydrophobicContact CG2-CD2 3.97Å; I300-L302 HydrophobicContact CG2-CD2 3.7Å; I300-L302 HydrophobicContact CG2-CG 4.19Å; I300-L302 PolarHBondContact O-N 3.05Å; L302-T312 HydrophobicContact CB-CG2 4.01Å; L302-T312 HydrophobicContact CD1-CG2 4.08Å; L302-M316 HydrophobicContact CD1-CG 3.76Å; L302-M316 HydrophobicContact CD1-SD 3.68Å
303	A	92	Very high	92	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.128	C	C	.	.			trans	-64.7	140.2	-174.8	0	0	0	0	0	112.5	T259 Y308 T312 H341	T259-A303 VanDerWaalsContact O-CB 3.24Å; T259-A303 WeakPolarHBondContact O-CB 3.27Å; A303-Y308 HydrophobicContact CB-CD2 4.26Å; A303-Y308 HydrophobicContact CB-CG 4.21Å; A303-T312 PolarHBondContact O-OG1 3.45Å; A303-H341 PolarHBondContact O-CE1 2.78Å
304	G	89.1	Confident	91.9	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	13%	0.131	C	C	.	.			trans	-87.8	-14.6	179.1	0	0	0	0	0	115.7	G218 V220 M337	G218-G304 VanDerWaalsContact O-CA 3.31Å; G218-G304 WeakPolarHBondContact O-CA 3.49Å; V220-G304 WeakPolarHBondContact CG2-O 3.35Å; V220-G304 PolarHBondContact N-O 2.78Å; G304-M337 WeakPolarHBondContact O-CB 3.06Å; G304-M337 WeakPolarHBondContact O-CG 3.46Å
305	H	90.2	Very high	92	Very high	33 Å²	33	28.7 Å²	28.7	15%	0.153	13%	0.127	C	C	.	.	S	Bend	trans	-104.4	140.5	-167.3	-167	-67.3	0	0	0	111.2	V220 R258 R307 Y308	V220-H305 HydrophobicContact CG2-CB 3.72Å; R258-H305 PolarHBondContact NH1-CD2 3.12Å; R258-H305 PolarHBondContact NH1-NE2 3.16Å; H305-R307 VanDerWaalsContact C-N 3.27Å; H305-R307 PolarHBondContact ND1-N 2.84Å; H305-R307 PolarHBondContact O-N 2.85Å; H305-R307 VanDerWaalsContact O-N 3.13Å; H305-Y308 HydrophobicContact CB-CD2 4.18Å; H305-Y308 PolarHBondContact O-N 3.35Å
306	E	87.2	Confident	91.9	Very high	139 Å²	139	29 Å²	29	65%	0.65	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-51.8	-39.6	-176.6	59	176.1	-169.2	0	0	114.2	Y308 L309 M337	E306-Y308 PolarHBondContact O-N 2.86Å; E306-Y308 VanDerWaalsContact O-N 3.12Å; E306-L309 WeakPolarHBondContact O-CB 3.42Å; E306-L309 PolarHBondContact O-N 3.44Å; E306-L309 VanDerWaalsContact O-N 3.14Å; E306-M337 HydrophobicContact CB-CE 4.43Å; E306-M337 HydrophobicContact CB-CG 4.26Å; E306-M337 HydrophobicContact CB-SD 3.58Å; E306-M337 VanDerWaalsContact CB-SD 3.58Å
307	R	88.3	Confident	91.8	Very high	181 Å²	181	29.6 Å²	29.6	68%	0.683	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-52.5	-32.2	175.4	-172.2	-178.3	-68.6	-171.5	0.1	113.8	H305	H305-R307 VanDerWaalsContact C-N 3.27Å; H305-R307 PolarHBondContact ND1-N 2.84Å; H305-R307 PolarHBondContact O-N 2.85Å; H305-R307 VanDerWaalsContact O-N 3.13Å
308	Y	89.3	Confident	91.5	Very high	46 Å²	46	29.7 Å²	29.7	18%	0.18	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-106.5	11.1	-175.2	-56.9	-55	0	0	0	113.2	T259 A303 H305 E306 K310 T311 T312	T259-Y308 WeakPolarHBondContact O-CD2 3.35Å; A303-Y308 HydrophobicContact CB-CD2 4.26Å; A303-Y308 HydrophobicContact CB-CG 4.21Å; H305-Y308 HydrophobicContact CB-CD2 4.18Å; H305-Y308 PolarHBondContact O-N 3.35Å; E306-Y308 PolarHBondContact O-N 2.86Å; E306-Y308 VanDerWaalsContact O-N 3.12Å; Y308-K310 PolarHBondContact O-N 2.83Å; Y308-T311 WeakPolarHBondContact O-CA 3.47Å; Y308-T311 WeakPolarHBondContact O-CB 3.47Å; Y308-T311 PolarHBondContact O-N 2.82Å; Y308-T311 PolarHBondContact O-OG1 2.93Å; Y308-T312 PolarHBondContact O-N 3.27Å
309	L	87.8	Confident	91.3	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.063	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-31.5	-178.5	178.1	55	0	0	0	114.5	E306 T311 T312 I313 M337 E340 L344	E306-L309 WeakPolarHBondContact O-CB 3.42Å; E306-L309 PolarHBondContact O-N 3.44Å; E306-L309 VanDerWaalsContact O-N 3.14Å; L309-T311 PolarHBondContact O-N 2.82Å; L309-T312 WeakPolarHBondContact O-CB 3.19Å; L309-T312 PolarHBondContact O-N 3.09Å; L309-I313 HydrophobicContact CG-CD1 4.46Å; L309-I313 WeakPolarHBondContact O-CG1 3.47Å; L309-I313 PolarHBondContact O-N 2.87Å; L309-M337 HydrophobicContact CB-CE 4.23Å; L309-M337 HydrophobicContact CD1-CE 3.52Å; L309-M337 HydrophobicContact CD2-CE 3.56Å; L309-M337 HydrophobicContact CG-CE 3.96Å; L309-E340 HydrophobicContact CD1-CG 4.01Å; L309-E340 WeakPolarHBondContact CD2-OE1 3.44Å; L309-L344 HydrophobicContact CD1-CD1 4.12Å
310	K	88.4	Confident	90.9	Very high	118 Å²	118	31.3 Å²	31.3	51%	0.513	15%	0.146	S	C	.	.	H	α-helix	trans	-59.4	-32.9	170.4	66.2	-176.3	178.9	-177.2	0	112.6	Y308 F314	Y308-K310 PolarHBondContact O-N 2.83Å; K310-F314 PolarHBondContact O-N 2.77Å
311	T	90.6	Very high	90.8	Very high	28 Å²	28	31.7 Å²	31.7	17%	0.172	15%	0.149	C	C	.	.	H	α-helix	trans	-73.6	-43.1	176.4	-51.2	0	0	0	0	109.4	V262 Y308 L309 F314 G315	V262-T311 HydrophobicContact CG2-CG2 3.51Å; Y308-T311 WeakPolarHBondContact O-CA 3.47Å; Y308-T311 WeakPolarHBondContact O-CB 3.47Å; Y308-T311 PolarHBondContact O-N 2.82Å; Y308-T311 PolarHBondContact O-OG1 2.93Å; L309-T311 PolarHBondContact O-N 2.82Å; T311-F314 PolarHBondContact O-N 3.14Å; T311-G315 PolarHBondContact O-N 3.16Å
312	T	92.2	Very high	90.7	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-45.1	174.1	-53.5	0	0	0	0	112.3	V217 L302 A303 Y308 L309 G315 M316	V217-T312 HydrophobicContact CG1-CG2 4.5Å; L302-T312 HydrophobicContact CB-CG2 4.01Å; L302-T312 HydrophobicContact CD1-CG2 4.08Å; A303-T312 PolarHBondContact O-OG1 3.45Å; Y308-T312 PolarHBondContact O-N 3.27Å; L309-T312 WeakPolarHBondContact O-CB 3.19Å; L309-T312 PolarHBondContact O-N 3.09Å; T312-G315 WeakPolarHBondContact O-CA 3.38Å; T312-G315 PolarHBondContact O-N 3.12Å; T312-M316 WeakPolarHBondContact O-CG 3.26Å; T312-M316 PolarHBondContact O-N 3.21Å
313	I	91.1	Very high	90.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-46.4	177.1	-65.3	165.1	0	0	0	110.6	L309 G315 M316 T317 L344 H563 I608 R610	L309-I313 HydrophobicContact CG-CD1 4.46Å; L309-I313 WeakPolarHBondContact O-CG1 3.47Å; L309-I313 PolarHBondContact O-N 2.87Å; I313-G315 VanDerWaalsContact C-N 3.25Å; I313-G315 PolarHBondContact O-N 2.78Å; I313-M316 PolarHBondContact O-N 3.34Å; I313-M316 VanDerWaalsContact O-N 3.15Å; I313-T317 HydrophobicContact CG2-CG2 4.13Å; I313-T317 PolarHBondContact O-N 2.94Å; I313-T317 PolarHBondContact O-OG1 3.36Å; I313-L344 HydrophobicContact CG1-CD1 3.98Å; I313-L344 HydrophobicContact CG1-CD2 4.3Å; I313-H563 HydrophobicContact CG2-CB 3.94Å; I313-H563 WeakPolarHBondContact CG2-ND1 3.39Å; I313-I608 HydrophobicContact CG2-CD1 4.18Å; I313-R610 VanDerWaalsContact CD1-CD 3.48Å; I313-R610 VanDerWaalsContact CD1-NH1 3.26Å
314	F	91.5	Very high	91	Very high	26 Å²	26	32.1 Å²	32.1	11%	0.114	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-38.5	175.4	178.2	-95.6	0	0	0	111.9	V262 K310 T311 M316 G318 H319 D449 K524 P566	V262-F314 HydrophobicContact CG2-CD1 4.44Å; K310-F314 PolarHBondContact O-N 2.77Å; T311-F314 PolarHBondContact O-N 3.14Å; F314-M316 PolarHBondContact O-N 3.12Å; F314-G318 VanDerWaalsContact O-CA 3.29Å; F314-G318 WeakPolarHBondContact O-CA 3.41Å; F314-G318 PolarHBondContact O-N 3.39Å; F314-H319 AromaticContact CE1-NE2 3.87Å; F314-D449 HydrophobicContact CZ-CB 4.43Å; F314-D449 WeakPolarHBondContact CZ-O 3.36Å; F314-K524 HydrophobicContact CE2-CD 4.48Å; F314-K524 HydrophobicContact CZ-CD 4.13Å; F314-P566 HydrophobicContact CE2-CB 4.12Å
315	G	92.8	Very high	91.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-52.4	-51.1	170.6	0	0	0	0	0	113.5	T311 T312 I313	T311-G315 PolarHBondContact O-N 3.16Å; T312-G315 WeakPolarHBondContact O-CA 3.38Å; T312-G315 PolarHBondContact O-N 3.12Å; I313-G315 VanDerWaalsContact C-N 3.25Å; I313-G315 PolarHBondContact O-N 2.78Å
316	M	92	Very high	91.7	Very high	7 Å²	7	30.2 Å²	30.2	3%	0.034	14%	0.14	C	C	.	.	H	α-helix	trans	-74.7	-35.3	-177	-70.3	-60.3	-63.9	0	0	113.9	A215 V217 L302 T312 I313 F314 P321 V324 A345 L348	A215-M316 HydrophobicContact CB-SD 3.54Å; A215-M316 VanDerWaalsContact CB-SD 3.54Å; V217-M316 HydrophobicContact CG1-SD 4.05Å; L302-M316 HydrophobicContact CD1-CG 3.76Å; L302-M316 HydrophobicContact CD1-SD 3.68Å; T312-M316 WeakPolarHBondContact O-CG 3.26Å; T312-M316 PolarHBondContact O-N 3.21Å; I313-M316 PolarHBondContact O-N 3.34Å; I313-M316 VanDerWaalsContact O-N 3.15Å; F314-M316 PolarHBondContact O-N 3.12Å; M316-P321 HydrophobicContact CE-CG 4.1Å; M316-P321 WeakPolarHBondContact O-CD 3.28Å; M316-P321 HydrophobicContact SD-CG 4.09Å; M316-V324 HydrophobicContact CE-CG2 3.35Å; M316-V324 HydrophobicContact SD-CG2 4.13Å; M316-A345 HydrophobicContact CE-CB 4.27Å; M316-L348 HydrophobicContact CB-CD1 3.65Å; M316-L348 HydrophobicContact CE-CD1 4.23Å
317	T	91.7	Very high	92.1	Very high	13 Å²	13	23.6 Å²	23.6	8%	0.08	11%	0.11	C	C	.	.	H	α-helix	trans	-93.5	-36.1	-178	65.2	0	0	0	0	113.1	I313 L348 H563 G565 I608	I313-T317 HydrophobicContact CG2-CG2 4.13Å; I313-T317 PolarHBondContact O-N 2.94Å; I313-T317 PolarHBondContact O-OG1 3.36Å; T317-L348 HydrophobicContact CG2-CD1 4.14Å; T317-L348 HydrophobicContact CG2-CD2 4.15Å; T317-H563 HydrophobicContact CG2-CB 4.29Å; T317-G565 CarbonylContact C-O 3.43Å; T317-G565 WeakPolarHBondContact CB-O 3.39Å; T317-G565 CarbonylContact O-C 3.45Å; T317-G565 VanDerWaalsContact O-CA 3.28Å; T317-G565 WeakPolarHBondContact O-CA 3.42Å; T317-G565 PolarHBondContact OG1-O 3.29Å; T317-I608 HydrophobicContact CG2-CD1 3.76Å; T317-I608 HydrophobicContact CG2-CG1 4.4Å
318	G	89.6	Confident	92.5	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-82	-44.4	-172.7	0	0	0	0	0	113.7	F314 A320	F314-G318 VanDerWaalsContact O-CA 3.29Å; F314-G318 WeakPolarHBondContact O-CA 3.41Å; F314-G318 PolarHBondContact O-N 3.39Å; G318-A320 VanDerWaalsContact C-N 3.34Å
319	H	91.5	Very high	92.8	Very high	7 Å²	7	13 Å²	13	3%	0.032	7%	0.07	C	C	.	.	S	Bend	trans	-87.9	-4.8	179.6	-62.6	-77.8	0	0	0	113.5	R213 H264 I300 F314 D449	R213-H319 PolarHBondContact NH1-O 3.02Å; H264-H319 AromaticContact CE1-CE1 3.56Å; H264-H319 AromaticContact CE1-CG 3.89Å; H264-H319 AromaticContact CE1-ND1 3.49Å; H264-H319 PolarHBondContact CE1-ND1 3.12Å; H264-H319 AromaticContact NE2-CE1 3.13Å; H264-H319 PolarHBondContact NE2-CE1 3.47Å; H264-H319 AromaticContact NE2-ND1 3.46Å; H264-H319 PolarHBondContact NE2-ND1 2.87Å; H264-H319 AromaticContact NE2-NE2 3.8Å; I300-H319 HydrophobicContact CD1-CB 3.66Å; F314-H319 AromaticContact CE1-NE2 3.87Å; H319-D449 IonicContact CE1-OD2 3.93Å; H319-D449 PolarHBondContact CE1-OD2 3.4Å; H319-D449 IonicContact CG-OD2 3Å; H319-D449 IonicContact ND1-OD2 2.68Å; H319-D449 PolarHBondContact ND1-OD2 3.14Å
320	A	88.6	Confident	93.2	Very high	34 Å²	34	12.5 Å²	12.5	28%	0.281	7%	0.067	S	C	.	.			trans	43.3	67.9	176.3	0	0	0	0	0	113.1	R213 G318	R213-A320 PolarHBondContact NE-O 3.34Å; R213-A320 PolarHBondContact NH1-O 2.92Å; R213-A320 PolarHBondContact NH2-O 2.81Å; G318-A320 VanDerWaalsContact C-N 3.34Å
321	P	93.6	Very high	93.4	Very high	9 Å²	9	10.4 Å²	10.4	6%	0.058	6%	0.062	C	C	.	.			trans	-63.4	142.6	-178.9	28	-34.1	0	0	0	111.9	A215 I300 M316	A215-P321 HydrophobicContact CB-CB 3.63Å; A215-P321 HydrophobicContact CB-CG 3.69Å; I300-P321 HydrophobicContact CD1-CB 4.14Å; M316-P321 HydrophobicContact CE-CG 4.1Å; M316-P321 WeakPolarHBondContact O-CD 3.28Å; M316-P321 HydrophobicContact SD-CG 4.09Å
322	D	92.8	Very high	93.4	Very high	8 Å²	8	11.3 Å²	11.3	4%	0.043	7%	0.072	C	C	.	.	S	Bend	trans	-72.9	-34.5	174.2	-56.8	-71.9	0	0	0	111.1	V212 R213 P351 R435 S436	V212-D322 HydrophobicContact CG1-CB 4.43Å; R213-D322 WeakPolarHBondContact CB-OD2 3.15Å; R213-D322 PolarHBondContact N-OD2 2.91Å; R213-D322 IonicContact NE-OD2 2.89Å; R213-D322 PolarHBondContact NE-OD2 2.83Å; R213-D322 IonicContact NH2-OD1 2.77Å; R213-D322 PolarHBondContact O-N 3.01Å; D322-P351 WeakPolarHBondContact O-CD 3.46Å; D322-R435 HydrophobicContact CB-CB 4.22Å; D322-R435 HydrophobicContact CB-CG 4.35Å; D322-R435 WeakPolarHBondContact O-CD 3.43Å; D322-S436 PolarHBondContact OD1-OG 3.29Å
323	Y	95.5	Very high	93.3	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.008	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.4	-179	-58.5	-75.4	0	0	0	112.8	V212 R213 V214 A215 P351 F403 L432 P433 R435	V212-Y323 HydrophobicContact CG1-CD2 3.62Å; V212-Y323 HydrophobicContact CG1-CE2 3.67Å; R213-Y323 PolarHBondContact O-N 2.67Å; R213-Y323 VanDerWaalsContact O-N 3.08Å; V214-Y323 CarbonylContact C-O 3.6Å; V214-Y323 WeakPolarHBondContact CA-O 3.48Å; A215-Y323 PolarHBondContact N-O 2.8Å; Y323-P351 HydrophobicContact CD1-CB 3.99Å; Y323-P351 HydrophobicContact CD1-CG 4.28Å; Y323-P351 HydrophobicContact CE1-CB 4.28Å; Y323-P351 HydrophobicContact CE1-CG 4.33Å; Y323-F403 HydrophobicContact CD1-CD1 4.01Å; Y323-F403 AromaticContact CD1-CE1 3.32Å; Y323-F403 HydrophobicContact CD1-CE1 3.32Å; Y323-F403 HydrophobicContact CD1-CZ 4.19Å; Y323-F403 AromaticContact CE1-CD1 3.6Å; Y323-F403 HydrophobicContact CE1-CD1 3.6Å; Y323-F403 AromaticContact CE1-CE1 3.43Å; Y323-F403 HydrophobicContact CE1-CE1 3.43Å; Y323-F403 VanDerWaalsContact CE1-CE1 3.43Å; Y323-F403 HydrophobicContact CG-CE1 4.32Å; Y323-L432 HydrophobicContact CD1-CD2 4.41Å; Y323-L432 HydrophobicContact CD2-CD1 4.03Å; Y323-L432 HydrophobicContact CD2-CD2 4.43Å; Y323-L432 HydrophobicContact CE1-CD2 4.14Å; Y323-L432 HydrophobicContact CE2-CB 4.04Å; Y323-L432 HydrophobicContact CE2-CD1 4.35Å; Y323-L432 HydrophobicContact CE2-CD2 4.17Å; Y323-L432 HydrophobicContact CE2-CG 4.44Å; Y323-L432 HydrophobicContact CG-CD1 4.35Å; Y323-P433 WeakPolarHBondContact CE2-O 3.44Å; Y323-P433 WeakPolarHBondContact OH-CD 3.48Å; Y323-P433 WeakPolarHBondContact OH-CG 3.31Å; Y323-P433 PolarHBondContact OH-O 2.87Å; Y323-R435 HydrophobicContact CE1-CG 4.05Å; Y323-R435 HydrophobicContact CE2-CG 4.12Å; Y323-R435 VanDerWaalsContact OH-CG 3.31Å; Y323-R435 WeakPolarHBondContact OH-CG 3.08Å
324	V	96.3	Very high	93.4	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.9	171.9	174	0	0	0	0	110.4	A215 V217 M316 F326 A345 V350 P351 V352 F353	A215-V324 HydrophobicContact CB-CG2 4.35Å; A215-V324 CarbonylContact O-C 3.59Å; A215-V324 WeakPolarHBondContact O-CA 3.35Å; V217-V324 HydrophobicContact CG2-CG1 3.34Å; M316-V324 HydrophobicContact CE-CG2 3.35Å; M316-V324 HydrophobicContact SD-CG2 4.13Å; V324-F326 PolarHBondContact O-N 2.75Å; V324-A345 HydrophobicContact CB-CB 4.23Å; V324-A345 HydrophobicContact CG1-CB 4.11Å; V324-A345 HydrophobicContact CG2-CB 3.88Å; V324-V350 HydrophobicContact CG2-CB 4.04Å; V324-V350 HydrophobicContact CG2-CG1 3.73Å; V324-P351 PolarHBondContact N-O 2.98Å; V324-V352 HydrophobicContact CB-CG2 4.19Å; V324-V352 HydrophobicContact CG1-CG1 4.38Å; V324-V352 WeakPolarHBondContact O-CA 3.45Å; V324-F353 WeakPolarHBondContact O-CD1 3.38Å; V324-F353 PolarHBondContact O-N 2.97Å; V324-F353 VanDerWaalsContact O-N 3.07Å
325	M	97.4	Very high	93.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	102.9	165.8	-175.6	164.6	67.8	0	0	108.9	V214 A215 V216 V217 L227 L228 F299 M327 F353 V355	V214-M325 HydrophobicContact CG1-CB 3.77Å; A215-M325 PolarHBondContact O-N 3.04Å; V216-M325 HydrophobicContact CB-CE 4.11Å; V216-M325 HydrophobicContact CG1-CE 3.55Å; V216-M325 HydrophobicContact CG2-CE 3.49Å; V216-M325 VanDerWaalsContact CG2-CE 3.49Å; V217-M325 PolarHBondContact N-O 2.93Å; L227-M325 HydrophobicContact CD2-CE 3.79Å; L227-M325 HydrophobicContact CD2-SD 3.81Å; L228-M325 HydrophobicContact CD2-CE 4.23Å; F299-M325 HydrophobicContact CE1-CE 4.5Å; M325-M327 HydrophobicContact CE-SD 3.99Å; M325-M327 HydrophobicContact CG-CG 4.31Å; M325-M327 HydrophobicContact CG-SD 3.91Å; M325-M327 PolarHBondContact O-N 3.05Å; M325-M327 HydrophobicContact SD-SD 4.06Å; M325-F353 HydrophobicContact CB-CE1 4.08Å; M325-F353 HydrophobicContact CB-CE2 3.73Å; M325-F353 HydrophobicContact CB-CZ 3.45Å; M325-F353 VanDerWaalsContact CB-CZ 3.45Å; M325-F353 HydrophobicContact CG-CD2 4.3Å; M325-F353 HydrophobicContact CG-CE2 3.46Å; M325-F353 VanDerWaalsContact CG-CE2 3.46Å; M325-F353 HydrophobicContact CG-CZ 3.72Å; M325-F353 HydrophobicContact SD-CE2 3.84Å; M325-F353 HydrophobicContact SD-CZ 4.08Å; M325-V355 HydrophobicContact CG-CB 4.4Å; M325-V355 HydrophobicContact CG-CG2 3.77Å; M325-V355 HydrophobicContact SD-CG2 3.86Å
326	F	97.2	Very high	93.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	107.7	178.2	-177.4	-119.3	0	0	0	111.1	V217 V324 V328 V334 A338 L342 V352 F353 V354 V355 L374	V217-F326 HydrophobicContact CG2-CD2 4.07Å; V217-F326 CarbonylContact O-C 3.6Å; V217-F326 WeakPolarHBondContact O-CA 3.27Å; V324-F326 PolarHBondContact O-N 2.75Å; F326-V328 HydrophobicContact CD1-CG2 3.69Å; F326-V328 HydrophobicContact CE1-CG2 3.36Å; F326-V328 HydrophobicContact CZ-CG2 4.01Å; F326-V334 HydrophobicContact CE1-CG2 4.45Å; F326-V334 HydrophobicContact CZ-CG1 4.24Å; F326-A338 HydrophobicContact CE2-CB 4.06Å; F326-A338 VanDerWaalsContact CE2-O 3.28Å; F326-A338 WeakPolarHBondContact CE2-O 3.41Å; F326-A338 HydrophobicContact CZ-CB 3.87Å; F326-L342 HydrophobicContact CD2-CB 4.46Å; F326-L342 HydrophobicContact CE1-CD2 4.44Å; F326-L342 HydrophobicContact CE2-CB 3.99Å; F326-L342 HydrophobicContact CZ-CB 4.1Å; F326-L342 HydrophobicContact CZ-CD2 4.48Å; F326-V352 HydrophobicContact CB-CG1 3.54Å; F326-V352 HydrophobicContact CG-CG1 4.44Å; F326-F353 PolarHBondContact N-O 2.68Å; F326-V354 HydrophobicContact CB-CG2 4.41Å; F326-V354 HydrophobicContact CD1-CG1 4.02Å; F326-V354 HydrophobicContact CD1-CG2 3.96Å; F326-V354 WeakPolarHBondContact O-CA 3.45Å; F326-V354 WeakPolarHBondContact O-CG1 3.47Å; F326-V355 PolarHBondContact O-N 2.96Å; F326-L374 HydrophobicContact CE1-CD1 4.45Å
327	M	96.8	Very high	92.9	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124	-175.7	-64.3	-69.3	-68.6	0	0	111.2	V216 V217 G218 A222 K224 L227 M325 V355 T357	V216-M327 HydrophobicContact CG1-CG 3.75Å; V217-M327 PolarHBondContact O-N 2.98Å; G218-M327 WeakPolarHBondContact CA-O 3.43Å; A222-M327 HydrophobicContact CB-CB 4.12Å; K224-M327 HydrophobicContact CG-CB 3.84Å; K224-M327 HydrophobicContact CG-CG 3.88Å; L227-M327 HydrophobicContact CB-CE 3.72Å; L227-M327 HydrophobicContact CD2-CE 3.43Å; L227-M327 VanDerWaalsContact CD2-CE 3.43Å; L227-M327 HydrophobicContact CD2-SD 3.51Å; L227-M327 VanDerWaalsContact CD2-SD 3.51Å; L227-M327 HydrophobicContact CG-CE 4.21Å; M325-M327 HydrophobicContact CE-SD 3.99Å; M325-M327 HydrophobicContact CG-CG 4.31Å; M325-M327 HydrophobicContact CG-SD 3.91Å; M325-M327 PolarHBondContact O-N 3.05Å; M325-M327 HydrophobicContact SD-SD 4.06Å; M327-V355 WeakPolarHBondContact CA-O 3.47Å; M327-V355 HydrophobicContact CE-CG1 4.5Å; M327-V355 HydrophobicContact SD-CB 3.67Å; M327-V355 HydrophobicContact SD-CG1 3.96Å; M327-V355 HydrophobicContact SD-CG2 4.43Å; M327-T357 HydrophobicContact CE-CG2 3.22Å; M327-T357 HydrophobicContact SD-CG2 4.41Å
328	V	96.7	Very high	92.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.4	177	-177.6	0	0	0	0	108.8	F326 V334 V354 V355 V356 T357 T370	F326-V328 HydrophobicContact CD1-CG2 3.69Å; F326-V328 HydrophobicContact CE1-CG2 3.36Å; F326-V328 HydrophobicContact CZ-CG2 4.01Å; V328-V334 HydrophobicContact CG1-CG2 4.32Å; V328-V334 HydrophobicContact CG2-CG2 4.3Å; V328-V354 HydrophobicContact CG2-CG1 3.97Å; V328-V355 PolarHBondContact N-O 2.9Å; V328-V356 CarbonylContact O-C 3.5Å; V328-V356 VanDerWaalsContact O-CA 3.25Å; V328-V356 WeakPolarHBondContact O-CA 3.38Å; V328-T357 PolarHBondContact O-N 2.95Å; V328-T357 PolarHBondContact O-OG1 2.85Å; V328-T370 HydrophobicContact CG1-CG2 4.42Å
329	G	95.7	Very high	92.9	Very high	3 Å²	3	24 Å²	24	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.4	170.2	0	0	0	0	0	110	N331 A332 G333	G329-N331 PolarHBondContact O-N 2.74Å; G329-A332 PolarHBondContact O-N 3.45Å; G329-G333 PolarHBondContact O-N 3.14Å
330	A	95.7	Very high	92.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-40.3	179.2	0	0	0	0	0	112.7	V356 T357 I359 C362 L367 T370	A330-V356 HydrophobicContact CB-CG1 3.82Å; A330-T357 WeakPolarHBondContact CB-O 3.37Å; A330-T357 PolarHBondContact N-O 3.48Å; A330-I359 HydrophobicContact CB-CG2 4.31Å; A330-C362 HydrophobicContact CB-CB 3.66Å; A330-L367 HydrophobicContact CB-CD1 3.84Å; A330-T370 PolarHBondContact O-OG1 2.78Å
331	N	92.6	Very high	92.8	Very high	75 Å²	75	23.5 Å²	23.5	40%	0.401	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.4	-178.5	67.1	-27.6	0	0	0	114.8	G329	G329-N331 PolarHBondContact O-N 2.74Å
332	A	90.6	Very high	92.7	Very high	46 Å²	46	23.4 Å²	23.4	38%	0.38	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-29.9	-174.4	0	0	0	0	0	113.3	G329 I335	G329-A332 PolarHBondContact O-N 3.45Å; A332-I335 HydrophobicContact CB-CD1 4Å; A332-I335 HydrophobicContact CB-CG1 4.31Å; A332-I335 WeakPolarHBondContact O-CG2 3.44Å
333	G	90.6	Very high	92.5	Very high	6 Å²	6	24.6 Å²	24.6	6%	0.062	15%	0.154	C	C	.	.			trans	66	-159.4	-174.2	0	0	0	0	0	113.9	G329 I335	G329-G333 PolarHBondContact O-N 3.14Å; G333-I335 PolarHBondContact O-N 3.05Å; G333-I335 VanDerWaalsContact O-N 3.1Å
334	V	91.3	Very high	92.2	Very high	8 Å²	8	25 Å²	25	5%	0.048	16%	0.156	C	C	.	.	S	Bend	trans	-86.1	80.7	-174.8	-172.8	0	0	0	0	110.7	F326 V328 A338 K339 L374 I377	F326-V334 HydrophobicContact CE1-CG2 4.45Å; F326-V334 HydrophobicContact CZ-CG1 4.24Å; V328-V334 HydrophobicContact CG1-CG2 4.32Å; V328-V334 HydrophobicContact CG2-CG2 4.3Å; V334-A338 HydrophobicContact CG1-CB 3.96Å; V334-K339 HydrophobicContact CG1-CG 3.83Å; V334-L374 HydrophobicContact CG2-CD1 4.03Å; V334-I377 HydrophobicContact CB-CD1 3.78Å; V334-I377 HydrophobicContact CG1-CD1 3.99Å; V334-I377 HydrophobicContact CG2-CD1 3.97Å
335	I	90.4	Very high	91.9	Very high	84 Å²	84	25 Å²	25	43%	0.431	16%	0.156	S	C	.	.			trans	-116.8	159.9	-177.7	59.6	160.8	0	0	0	113.5	A332 G333 M337 A338	A332-I335 HydrophobicContact CB-CD1 4Å; A332-I335 HydrophobicContact CB-CG1 4.31Å; A332-I335 WeakPolarHBondContact O-CG2 3.44Å; G333-I335 PolarHBondContact O-N 3.05Å; G333-I335 VanDerWaalsContact O-N 3.1Å; I335-M337 PolarHBondContact O-N 3.03Å; I335-A338 VanDerWaalsContact O-CB 3.25Å; I335-A338 WeakPolarHBondContact O-CB 3.41Å; I335-A338 PolarHBondContact O-N 3.09Å; I335-A338 VanDerWaalsContact O-N 3.12Å
336	G	87.7	Confident	91.5	Very high	61 Å²	61	26.9 Å²	26.9	63%	0.629	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	-123.2	172.7	0	0	0	0	0	113.2	A338	G336-A338 PolarHBondContact O-N 2.95Å
337	M	89.2	Confident	90.9	Very high	18 Å²	18	27.6 Å²	27.6	9%	0.089	17%	0.172	C	C	.	.	H	α-helix	trans	-70.1	-13.9	-176.5	-67.3	-55	-60.5	0	0	113.8	N219 G304 E306 L309 I335 K339 E340 H341	N219-M337 PolarHBondContact OD1-N 2.82Å; G304-M337 WeakPolarHBondContact O-CB 3.06Å; G304-M337 WeakPolarHBondContact O-CG 3.46Å; E306-M337 HydrophobicContact CB-CE 4.43Å; E306-M337 HydrophobicContact CB-CG 4.26Å; E306-M337 HydrophobicContact CB-SD 3.58Å; E306-M337 VanDerWaalsContact CB-SD 3.58Å; L309-M337 HydrophobicContact CB-CE 4.23Å; L309-M337 HydrophobicContact CD1-CE 3.52Å; L309-M337 HydrophobicContact CD2-CE 3.56Å; L309-M337 HydrophobicContact CG-CE 3.96Å; I335-M337 PolarHBondContact O-N 3.03Å; M337-K339 VanDerWaalsContact C-N 3.34Å; M337-K339 PolarHBondContact O-N 2.99Å; M337-E340 HydrophobicContact CE-CB 4Å; M337-E340 HydrophobicContact CE-CG 3.83Å; M337-E340 WeakPolarHBondContact CE-OE2 3.42Å; M337-E340 WeakPolarHBondContact O-CB 3.19Å; M337-E340 PolarHBondContact O-N 2.82Å; M337-E340 VanDerWaalsContact O-N 3.09Å; M337-H341 PolarHBondContact O-CD2 3.33Å; M337-H341 PolarHBondContact O-N 3.49Å
338	A	91.9	Very high	90.4	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-44.8	179.8	0	0	0	0	0	112.1	N219 F326 V334 I335 G336 E340 H341 L342	N219-A338 HydrophobicContact CB-CB 4.15Å; F326-A338 HydrophobicContact CE2-CB 4.06Å; F326-A338 VanDerWaalsContact CE2-O 3.28Å; F326-A338 WeakPolarHBondContact CE2-O 3.41Å; F326-A338 HydrophobicContact CZ-CB 3.87Å; V334-A338 HydrophobicContact CG1-CB 3.96Å; I335-A338 VanDerWaalsContact O-CB 3.25Å; I335-A338 WeakPolarHBondContact O-CB 3.41Å; I335-A338 PolarHBondContact O-N 3.09Å; I335-A338 VanDerWaalsContact O-N 3.12Å; G336-A338 PolarHBondContact O-N 2.95Å; A338-E340 VanDerWaalsContact C-N 3.27Å; A338-E340 PolarHBondContact O-N 3.08Å; A338-H341 PolarHBondContact O-N 3.29Å; A338-L342 WeakPolarHBondContact O-CB 3.5Å; A338-L342 PolarHBondContact O-N 3.46Å
339	K	88.5	Confident	90	Very high	138 Å²	138	30.6 Å²	30.6	60%	0.6	19%	0.191	S	C	*	.	H	α-helix	trans	-62.6	-36.5	177	-66.6	-173.8	179.4	-179.4	0	112.2	V334 M337 G343	V334-K339 HydrophobicContact CG1-CG 3.83Å; M337-K339 VanDerWaalsContact C-N 3.34Å; M337-K339 PolarHBondContact O-N 2.99Å; K339-G343 PolarHBondContact O-N 2.84Å
340	E	87.3	Confident	89.7	Confident	27 Å²	27	31.1 Å²	31.1	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-43.5	178.2	172.3	147.4	-158.2	0	0	112.1	L309 M337 A338 G343 L344 R610 K615	L309-E340 HydrophobicContact CD1-CG 4.01Å; L309-E340 WeakPolarHBondContact CD2-OE1 3.44Å; M337-E340 HydrophobicContact CE-CB 4Å; M337-E340 HydrophobicContact CE-CG 3.83Å; M337-E340 WeakPolarHBondContact CE-OE2 3.42Å; M337-E340 WeakPolarHBondContact O-CB 3.19Å; M337-E340 PolarHBondContact O-N 2.82Å; M337-E340 VanDerWaalsContact O-N 3.09Å; A338-E340 VanDerWaalsContact C-N 3.27Å; A338-E340 PolarHBondContact O-N 3.08Å; E340-G343 PolarHBondContact O-N 2.99Å; E340-L344 HydrophobicContact CG-CD1 4.18Å; E340-L344 VanDerWaalsContact O-CG 3.31Å; E340-L344 WeakPolarHBondContact O-CG 3.41Å; E340-L344 PolarHBondContact O-N 3.19Å; E340-R610 IonicContact OE1-CZ 2.81Å; E340-R610 IonicContact OE1-NH1 3.66Å; E340-R610 PolarHBondContact OE1-NH1 3.25Å; E340-R610 IonicContact OE1-NH2 3.7Å; E340-R610 PolarHBondContact OE1-NH2 3.32Å; E340-R610 IonicContact OE2-NH2 2.7Å; E340-K615 VanDerWaalsContact CD-CE 3.47Å; E340-K615 WeakPolarHBondContact OE1-CE 3.4Å; E340-K615 IonicContact OE1-NZ 3.05Å; E340-K615 PolarHBondContact OE1-NZ 3.46Å; E340-K615 IonicContact OE2-NZ 3.24Å; E340-K615 PolarHBondContact OE2-NZ 3.02Å
341	H	91.6	Very high	89.6	Confident	3 Å²	3	31.2 Å²	31.2	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-42.7	177.6	-65.7	176.9	0	0	0	112.2	V217 G218 A303 M337 A338 G343 L344 A345	V217-H341 HydrophobicContact CB-CB 3.85Å; V217-H341 HydrophobicContact CG2-CB 3.87Å; G218-H341 PolarHBondContact N-ND1 2.88Å; G218-H341 VanDerWaalsContact N-ND1 3.15Å; G218-H341 PolarHBondContact O-CE1 2.89Å; G218-H341 PolarHBondContact O-ND1 3.12Å; A303-H341 PolarHBondContact O-CE1 2.78Å; M337-H341 PolarHBondContact O-CD2 3.33Å; M337-H341 PolarHBondContact O-N 3.49Å; A338-H341 PolarHBondContact O-N 3.29Å; H341-G343 VanDerWaalsContact C-N 3.34Å; H341-L344 PolarHBondContact O-N 2.7Å; H341-A345 PolarHBondContact O-N 2.94Å
342	L	91.9	Very high	89.7	Confident	8 Å²	8	27.8 Å²	27.8	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-45.1	174	-177.7	60.7	0	0	0	110.9	F326 A338 L344 A345 L346 V352 I377	F326-L342 HydrophobicContact CD2-CB 4.46Å; F326-L342 HydrophobicContact CE1-CD2 4.44Å; F326-L342 HydrophobicContact CE2-CB 3.99Å; F326-L342 HydrophobicContact CZ-CB 4.1Å; F326-L342 HydrophobicContact CZ-CD2 4.48Å; A338-L342 WeakPolarHBondContact O-CB 3.5Å; A338-L342 PolarHBondContact O-N 3.46Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 PolarHBondContact O-N 3.39Å; L342-A345 PolarHBondContact O-N 2.97Å; L342-L346 HydrophobicContact CD1-CD1 4.27Å; L342-L346 HydrophobicContact CD1-CG 4.36Å; L342-L346 HydrophobicContact CG-CD1 4.04Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.4Å; L342-L346 PolarHBondContact O-N 2.88Å; L342-V352 HydrophobicContact CD1-CG1 4.17Å; L342-V352 HydrophobicContact CD1-CG2 4.39Å; L342-I377 HydrophobicContact CD2-CG2 4Å
343	G	87.9	Confident	90	Very high	32 Å²	32	25.6 Å²	25.6	33%	0.33	16%	0.158	S	C	.	.	H	α-helix	trans	-60.1	-38.7	175.8	0	0	0	0	0	113.4	K339 E340 H341 A347	K339-G343 PolarHBondContact O-N 2.84Å; E340-G343 PolarHBondContact O-N 2.99Å; H341-G343 VanDerWaalsContact C-N 3.34Å; G343-A347 WeakPolarHBondContact O-CB 3.32Å; G343-A347 PolarHBondContact O-N 2.48Å
344	L	88.6	Confident	90.3	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.058	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-41.4	175.4	-72.2	169	0	0	0	112.4	L309 I313 E340 H341 L342 A347 L348 I608	L309-L344 HydrophobicContact CD1-CD1 4.12Å; I313-L344 HydrophobicContact CG1-CD1 3.98Å; I313-L344 HydrophobicContact CG1-CD2 4.3Å; E340-L344 HydrophobicContact CG-CD1 4.18Å; E340-L344 VanDerWaalsContact O-CG 3.31Å; E340-L344 WeakPolarHBondContact O-CG 3.41Å; E340-L344 PolarHBondContact O-N 3.19Å; H341-L344 PolarHBondContact O-N 2.7Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 PolarHBondContact O-N 3.39Å; L344-A347 WeakPolarHBondContact O-CB 3.15Å; L344-A347 PolarHBondContact O-N 2.9Å; L344-L348 WeakPolarHBondContact O-CG 3.36Å; L344-L348 PolarHBondContact O-N 2.8Å; L344-I608 HydrophobicContact CD2-CD1 3.84Å
345	A	91.1	Very high	90.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-45	177.5	0	0	0	0	0	111.9	M316 V324 H341 L342 L348 C349 V350 V352	M316-A345 HydrophobicContact CE-CB 4.27Å; V324-A345 HydrophobicContact CB-CB 4.23Å; V324-A345 HydrophobicContact CG1-CB 4.11Å; V324-A345 HydrophobicContact CG2-CB 3.88Å; H341-A345 PolarHBondContact O-N 2.94Å; L342-A345 PolarHBondContact O-N 2.97Å; A345-L348 PolarHBondContact O-N 2.58Å; A345-C349 PolarHBondContact O-N 3.04Å; A345-V350 PolarHBondContact O-N 2.93Å; A345-V352 HydrophobicContact CB-CG2 3.74Å
346	L	88.5	Confident	90.9	Very high	40 Å²	40	20.9 Å²	20.9	21%	0.209	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-41.2	176.6	-64.9	170.3	0	0	0	111.9	L342 L348 C349 C383 K385	L342-L346 HydrophobicContact CD1-CD1 4.27Å; L342-L346 HydrophobicContact CD1-CG 4.36Å; L342-L346 HydrophobicContact CG-CD1 4.04Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.4Å; L342-L346 PolarHBondContact O-N 2.88Å; L346-L348 VanDerWaalsContact C-N 3.31Å; L346-L348 PolarHBondContact O-N 3.42Å; L346-C349 WeakPolarHBondContact O-CA 3.14Å; L346-C349 PolarHBondContact O-N 3.45Å; L346-C383 HydrophobicContact CD1-CB 4.06Å; L346-C383 WeakPolarHBondContact CD1-SG 3.48Å; L346-K385 VanDerWaalsContact CD2-CE 3.5Å
347	A	84.8	Confident	91.4	Very high	16 Å²	16	18 Å²	18	13%	0.132	10%	0.102	C	C	.	.	H	α-helix	trans	-58.6	-40.3	175.1	0	0	0	0	0	113.2	G343 L344 C349 L548 V617	G343-A347 WeakPolarHBondContact O-CB 3.32Å; G343-A347 PolarHBondContact O-N 2.48Å; L344-A347 WeakPolarHBondContact O-CB 3.15Å; L344-A347 PolarHBondContact O-N 2.9Å; A347-C349 PolarHBondContact O-N 3.02Å; A347-L548 HydrophobicContact CB-CD1 4.18Å; A347-V617 HydrophobicContact CB-CG1 4.46Å; A347-V617 HydrophobicContact CB-CG2 3.36Å
348	L	86.8	Confident	91.6	Very high	16 Å²	16	20.1 Å²	20.1	8%	0.084	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.2	176.6	-67.3	171.2	0	0	0	112.8	M316 T317 L344 A345 L346 V350 R606 I608	M316-L348 HydrophobicContact CB-CD1 3.65Å; M316-L348 HydrophobicContact CE-CD1 4.23Å; T317-L348 HydrophobicContact CG2-CD1 4.14Å; T317-L348 HydrophobicContact CG2-CD2 4.15Å; L344-L348 WeakPolarHBondContact O-CG 3.36Å; L344-L348 PolarHBondContact O-N 2.8Å; A345-L348 PolarHBondContact O-N 2.58Å; L346-L348 VanDerWaalsContact C-N 3.31Å; L346-L348 PolarHBondContact O-N 3.42Å; L348-V350 HydrophobicContact CB-CG2 3.9Å; L348-V350 PolarHBondContact O-N 3.36Å; L348-R606 PolarHBondContact O-NH1 2.82Å; L348-I608 HydrophobicContact CD1-CD1 3.95Å; L348-I608 HydrophobicContact CD2-CD1 3.79Å; L348-I608 HydrophobicContact CD2-CG1 4.02Å; L348-I608 HydrophobicContact CG-CD1 3.92Å
349	C	87.5	Confident	91.8	Very high	48 Å²	48	21.7 Å²	21.7	32%	0.324	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	43	48	-170.8	-30.9	0	0	0	0	112.9	A345 L346 A347 R606	A345-C349 PolarHBondContact O-N 3.04Å; L346-C349 WeakPolarHBondContact O-CA 3.14Å; L346-C349 PolarHBondContact O-N 3.45Å; A347-C349 PolarHBondContact O-N 3.02Å; C349-R606 VanDerWaalsContact SG-CZ 3.53Å
350	V	90.2	Very high	92	Very high	14 Å²	14	18.2 Å²	18.2	9%	0.085	11%	0.106	C	C	.	.			trans	-93.2	130.2	171.3	-172.1	0	0	0	0	108.2	V324 A345 L348 V352	V324-V350 HydrophobicContact CG2-CB 4.04Å; V324-V350 HydrophobicContact CG2-CG1 3.73Å; A345-V350 PolarHBondContact O-N 2.93Å; L348-V350 HydrophobicContact CB-CG2 3.9Å; L348-V350 PolarHBondContact O-N 3.36Å; V350-V352 WeakPolarHBondContact O-CG2 3.31Å
351	P	93.1	Very high	92.3	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.013	13%	0.132	C	C	.	.			trans	-63.1	141.2	178.7	-19.4	30.1	0	0	0	110.8	D322 Y323 V324 F403 E406	D322-P351 WeakPolarHBondContact O-CD 3.46Å; Y323-P351 HydrophobicContact CD1-CB 3.99Å; Y323-P351 HydrophobicContact CD1-CG 4.28Å; Y323-P351 HydrophobicContact CE1-CB 4.28Å; Y323-P351 HydrophobicContact CE1-CG 4.33Å; V324-P351 PolarHBondContact N-O 2.98Å; P351-F403 HydrophobicContact CB-CE1 4.18Å; P351-F403 HydrophobicContact CB-CE2 4.39Å; P351-F403 HydrophobicContact CB-CZ 3.91Å; P351-E406 HydrophobicContact CG-CG 4.32Å
352	V	94.5	Very high	92.3	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.9	-172	-174.1	0	0	0	0	108.8	V324 F326 L342 A345 V350 C409	V324-V352 HydrophobicContact CB-CG2 4.19Å; V324-V352 HydrophobicContact CG1-CG1 4.38Å; V324-V352 WeakPolarHBondContact O-CA 3.45Å; F326-V352 HydrophobicContact CB-CG1 3.54Å; F326-V352 HydrophobicContact CG-CG1 4.44Å; L342-V352 HydrophobicContact CD1-CG1 4.17Å; L342-V352 HydrophobicContact CD1-CG2 4.39Å; A345-V352 HydrophobicContact CB-CG2 3.74Å; V350-V352 WeakPolarHBondContact O-CG2 3.31Å; V352-C409 PolarHBondContact O-SG 2.85Å
353	F	96.4	Very high	92.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.2	162.2	65.5	-86.9	0	0	0	108.9	V214 V324 M325 F326 V355 F403 P410 F412 L425 F428 L429 L432	V214-F353 HydrophobicContact CG1-CE1 3.99Å; V214-F353 HydrophobicContact CG1-CZ 3.93Å; V324-F353 WeakPolarHBondContact O-CD1 3.38Å; V324-F353 PolarHBondContact O-N 2.97Å; V324-F353 VanDerWaalsContact O-N 3.07Å; M325-F353 HydrophobicContact CB-CE1 4.08Å; M325-F353 HydrophobicContact CB-CE2 3.73Å; M325-F353 HydrophobicContact CB-CZ 3.45Å; M325-F353 VanDerWaalsContact CB-CZ 3.45Å; M325-F353 HydrophobicContact CG-CD2 4.3Å; M325-F353 HydrophobicContact CG-CE2 3.46Å; M325-F353 VanDerWaalsContact CG-CE2 3.46Å; M325-F353 HydrophobicContact CG-CZ 3.72Å; M325-F353 HydrophobicContact SD-CE2 3.84Å; M325-F353 HydrophobicContact SD-CZ 4.08Å; F326-F353 PolarHBondContact N-O 2.68Å; F353-V355 HydrophobicContact CD2-CG2 3.98Å; F353-V355 HydrophobicContact CE2-CG2 3.86Å; F353-F403 HydrophobicContact CB-CE2 4.44Å; F353-F403 HydrophobicContact CB-CZ 4.01Å; F353-F403 HydrophobicContact CD1-CE1 4.36Å; F353-F403 HydrophobicContact CD1-CZ 4.19Å; F353-P410 HydrophobicContact CB-CB 4.29Å; F353-P410 HydrophobicContact CB-CG 4.44Å; F353-F412 HydrophobicContact CD2-CD2 4.28Å; F353-F412 HydrophobicContact CD2-CE2 4.21Å; F353-L425 HydrophobicContact CE2-CD1 4.08Å; F353-F428 HydrophobicContact CB-CE1 4.05Å; F353-F428 HydrophobicContact CB-CZ 4.31Å; F353-F428 AromaticContact CD1-CE1 3.86Å; F353-F428 HydrophobicContact CD1-CE1 3.86Å; F353-F428 HydrophobicContact CD2-CD1 4.49Å; F353-F428 HydrophobicContact CD2-CE1 4Å; F353-F428 HydrophobicContact CE1-CE1 4.25Å; F353-F428 HydrophobicContact CE2-CE1 4.38Å; F353-F428 AromaticContact CG-CE1 3.71Å; F353-F428 HydrophobicContact CG-CE1 3.71Å; F353-F428 HydrophobicContact CG-CZ 4.41Å; F353-F428 HydrophobicContact CZ-CE1 4.48Å; F353-L429 HydrophobicContact CZ-CD2 4.02Å; F353-L432 HydrophobicContact CE1-CD1 4.3Å
354	V	97.2	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.7	-174.5	-173.2	0	0	0	0	110.2	F326 V328 V356 L374 L378 P410 I411 F412	F326-V354 HydrophobicContact CB-CG2 4.41Å; F326-V354 HydrophobicContact CD1-CG1 4.02Å; F326-V354 HydrophobicContact CD1-CG2 3.96Å; F326-V354 WeakPolarHBondContact O-CA 3.45Å; F326-V354 WeakPolarHBondContact O-CG1 3.47Å; V328-V354 HydrophobicContact CG2-CG1 3.97Å; V354-V356 HydrophobicContact CG1-CG2 4.2Å; V354-L374 HydrophobicContact CB-CD2 4.41Å; V354-L374 HydrophobicContact CG1-CD1 4.23Å; V354-L374 HydrophobicContact CG1-CD2 3.73Å; V354-L374 HydrophobicContact CG2-CD1 4.46Å; V354-L378 HydrophobicContact CG2-CD1 4.15Å; V354-P410 PolarHBondContact N-O 3.16Å; V354-I411 HydrophobicContact CB-CG1 4.16Å; V354-I411 HydrophobicContact CB-CG2 4.31Å; V354-I411 HydrophobicContact CG1-CG2 4.48Å; V354-I411 HydrophobicContact CG2-CG1 4.45Å; V354-I411 CarbonylContact O-C 3.4Å; V354-I411 WeakPolarHBondContact O-CA 3.41Å; V354-F412 PolarHBondContact O-N 3.26Å
355	V	97.8	Very high	93.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.8	171.6	-178.9	0	0	0	0	108.5	L227 M325 F326 M327 V328 F353 T357 F412 V414 L425	L227-V355 HydrophobicContact CD2-CG1 3.93Å; M325-V355 HydrophobicContact CG-CB 4.4Å; M325-V355 HydrophobicContact CG-CG2 3.77Å; M325-V355 HydrophobicContact SD-CG2 3.86Å; F326-V355 PolarHBondContact O-N 2.96Å; M327-V355 WeakPolarHBondContact CA-O 3.47Å; M327-V355 HydrophobicContact CE-CG1 4.5Å; M327-V355 HydrophobicContact SD-CB 3.67Å; M327-V355 HydrophobicContact SD-CG1 3.96Å; M327-V355 HydrophobicContact SD-CG2 4.43Å; V328-V355 PolarHBondContact N-O 2.9Å; F353-V355 HydrophobicContact CD2-CG2 3.98Å; F353-V355 HydrophobicContact CE2-CG2 3.86Å; V355-T357 HydrophobicContact CG1-CG2 4.23Å; V355-F412 CarbonylContact C-O 3.56Å; V355-F412 WeakPolarHBondContact CA-O 3.44Å; V355-F412 HydrophobicContact CG2-CB 4.33Å; V355-F412 HydrophobicContact CG2-CD2 4.37Å; V355-V414 HydrophobicContact CG1-CB 4.41Å; V355-V414 HydrophobicContact CG1-CG1 4.13Å; V355-V414 HydrophobicContact CG1-CG2 3.38Å; V355-L425 HydrophobicContact CG1-CD2 4.34Å; V355-L425 HydrophobicContact CG2-CD1 3.99Å; V355-L425 HydrophobicContact CG2-CD2 4.28Å
356	V	97.6	Very high	93.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.1	176.7	-177.7	0	0	0	0	108.3	V328 A330 V354 I359 L367 M371 L374 I411 F412 V414	V328-V356 CarbonylContact O-C 3.5Å; V328-V356 VanDerWaalsContact O-CA 3.25Å; V328-V356 WeakPolarHBondContact O-CA 3.38Å; A330-V356 HydrophobicContact CB-CG1 3.82Å; V354-V356 HydrophobicContact CG1-CG2 4.2Å; V356-I359 HydrophobicContact CG1-CG2 4.47Å; V356-L367 HydrophobicContact CG1-CD1 4.24Å; V356-M371 HydrophobicContact CG2-SD 3.94Å; V356-L374 HydrophobicContact CG2-CD2 4.04Å; V356-I411 HydrophobicContact CG2-CG2 4.01Å; V356-F412 PolarHBondContact N-O 2.86Å; V356-V414 PolarHBondContact O-N 3.33Å
357	T	96.4	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	171	-177.7	63.3	0	0	0	0	112.5	A222 M327 V328 A330 V355 I359 V414	A222-T357 PolarHBondContact O-OG1 3.15Å; M327-T357 HydrophobicContact CE-CG2 3.22Å; M327-T357 HydrophobicContact SD-CG2 4.41Å; V328-T357 PolarHBondContact O-N 2.95Å; V328-T357 PolarHBondContact O-OG1 2.85Å; A330-T357 WeakPolarHBondContact CB-O 3.37Å; A330-T357 PolarHBondContact N-O 3.48Å; V355-T357 HydrophobicContact CG1-CG2 4.23Å; T357-I359 VanDerWaalsContact C-N 3.29Å; T357-I359 PolarHBondContact O-N 3.15Å; T357-V414 WeakPolarHBondContact CA-O 3.27Å; T357-V414 HydrophobicContact CG2-CG2 3.94Å
358	K	95	Very high	94.2	Very high	63 Å²	63	40.3 Å²	40.3	27%	0.274	22%	0.22	S	C	.	.			trans	63.4	32.4	174.1	-53.8	176.9	171.6	-178.1	0	113.3	D221 D360 M361 C362 V414	D221-K358 VanDerWaalsContact O-CE 3.28Å; D221-K358 WeakPolarHBondContact O-CE 3.38Å; D221-K358 PolarHBondContact O-NZ 3.18Å; K358-D360 WeakPolarHBondContact CA-OD1 3.44Å; K358-D360 PolarHBondContact O-N 3.32Å; K358-M361 PolarHBondContact O-N 3.2Å; K358-C362 PolarHBondContact O-N 3.38Å; K358-V414 PolarHBondContact N-O 3.39Å
359	I	95.2	Very high	94.6	Very high	34 Å²	34	45.6 Å²	45.6	17%	0.174	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.6	175.3	65.7	176.4	0	0	0	111.9	A330 V356 T357 M361 L367 T420	A330-I359 HydrophobicContact CB-CG2 4.31Å; V356-I359 HydrophobicContact CG1-CG2 4.47Å; T357-I359 VanDerWaalsContact C-N 3.29Å; T357-I359 PolarHBondContact O-N 3.15Å; I359-M361 VanDerWaalsContact C-N 3.32Å; I359-M361 PolarHBondContact O-N 3.09Å; I359-L367 HydrophobicContact CG2-CD1 4.37Å; I359-T420 HydrophobicContact CD1-CG2 3.95Å
360	D	93.7	Very high	94.9	Very high	66 Å²	66	43.9 Å²	43.9	35%	0.353	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.7	175.5	51.4	-76.8	0	0	0	113.4	K358 S415	K358-D360 WeakPolarHBondContact CA-OD1 3.44Å; K358-D360 PolarHBondContact O-N 3.32Å; D360-S415 WeakPolarHBondContact CB-OG 3.29Å; D360-S415 WeakPolarHBondContact OD1-CB 3.41Å; D360-S415 PolarHBondContact OD1-OG 2.9Å
361	M	91.8	Very high	95.2	Very high	134 Å²	134	44.1 Å²	44.1	66%	0.66	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-13.6	-177	-174.4	177.3	-83.5	0	0	112.7	K358 I359	K358-M361 PolarHBondContact O-N 3.2Å; I359-M361 VanDerWaalsContact C-N 3.32Å; I359-M361 PolarHBondContact O-N 3.09Å
362	C	93.5	Very high	95.3	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.081	26%	0.258	C	S	.	.	S	Bend	trans	-89.5	125.8	-171.5	-170.2	0	0	0	0	111.7	A330 K358	A330-C362 HydrophobicContact CB-CB 3.66Å; K358-C362 PolarHBondContact O-N 3.38Å
363	P	95.4	Very high	95.3	Very high	64 Å²	64	52 Å²	52	42%	0.416	27%	0.274	S	S	.	.			trans	-57.3	141.1	169.6	-25.1	35.4	0	0	0	111.4	N365 V366 L367	P363-N365 VanDerWaalsContact C-N 3.29Å; P363-N365 WeakPolarHBondContact CB-OD1 3.38Å; P363-N365 PolarHBondContact O-N 3Å; P363-V366 HydrophobicContact CB-CG2 4.26Å; P363-V366 HydrophobicContact CG-CG2 4.47Å; P363-V366 PolarHBondContact O-N 2.92Å; P363-L367 PolarHBondContact O-N 3.45Å
364	P	94.4	Very high	95.2	Very high	92 Å²	92	52 Å²	52	60%	0.597	27%	0.274	S	S	*	.	H	α-helix	trans	-61	-35.3	-171.4	22.5	-33.6	0	0	0	113.2	L367 H368	P364-L367 PolarHBondContact O-N 2.91Å; P364-H368 PolarHBondContact O-CD2 3.06Å; P364-H368 PolarHBondContact O-N 3.32Å
365	N	95.5	Very high	95.1	Very high	94 Å²	94	54.4 Å²	54.4	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-44.7	175.3	60.2	-49.3	0	0	0	112.1	P363 H368 E369	P363-N365 VanDerWaalsContact C-N 3.29Å; P363-N365 WeakPolarHBondContact CB-OD1 3.38Å; P363-N365 PolarHBondContact O-N 3Å; N365-H368 PolarHBondContact O-N 2.88Å; N365-E369 WeakPolarHBondContact O-CG 3.16Å; N365-E369 PolarHBondContact O-N 2.65Å
366	V	95.1	Very high	95	Very high	43 Å²	43	62.5 Å²	62.5	26%	0.261	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-39.3	177.9	-179.9	0	0	0	0	110.5	P363 E369 T370	P363-V366 HydrophobicContact CB-CG2 4.26Å; P363-V366 HydrophobicContact CG-CG2 4.47Å; P363-V366 PolarHBondContact O-N 2.92Å; V366-E369 PolarHBondContact O-N 3.08Å; V366-T370 WeakPolarHBondContact O-CB 3.46Å; V366-T370 PolarHBondContact O-N 2.87Å; V366-T370 PolarHBondContact O-OG1 2.7Å
367	L	95.4	Very high	94.8	Very high	37 Å²	37	64.1 Å²	64.1	19%	0.194	32%	0.324	C	S	.	.	H	α-helix	trans	-60.1	-47.5	174.9	179	62.1	0	0	0	110.9	A330 V356 I359 P363 P364 E369 T370 M371	A330-L367 HydrophobicContact CB-CD1 3.84Å; V356-L367 HydrophobicContact CG1-CD1 4.24Å; I359-L367 HydrophobicContact CG2-CD1 4.37Å; P363-L367 PolarHBondContact O-N 3.45Å; P364-L367 PolarHBondContact O-N 2.91Å; L367-E369 VanDerWaalsContact C-N 3.35Å; L367-E369 PolarHBondContact O-N 2.91Å; L367-T370 PolarHBondContact O-N 2.82Å; L367-M371 HydrophobicContact CD1-CG 4.16Å; L367-M371 HydrophobicContact CG-CG 4.42Å; L367-M371 WeakPolarHBondContact O-CB 3.19Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 3.34Å
368	H	95.3	Very high	94.6	Very high	124 Å²	124	64.2 Å²	64.2	57%	0.574	32%	0.324	S	S	*	.	H	α-helix	trans	-59.7	-42.6	176.7	-76.1	-59.5	0	0	0	112.6	P364 N365 M371 N372	P364-H368 PolarHBondContact O-CD2 3.06Å; P364-H368 PolarHBondContact O-N 3.32Å; N365-H368 PolarHBondContact O-N 2.88Å; H368-M371 PolarHBondContact O-N 3.47Å; H368-N372 WeakPolarHBondContact O-CB 3.46Å; H368-N372 VanDerWaalsContact O-CG 3.24Å; H368-N372 PolarHBondContact O-N 2.67Å; H368-N372 PolarHBondContact O-ND2 3.44Å
369	E	95.4	Very high	94.5	Very high	127 Å²	127	67.9 Å²	67.9	59%	0.593	34%	0.34	S	S	*	.	H	α-helix	trans	-61.8	-46.1	174.9	-73.3	175.4	-168.5	0	0	112.1	N365 V366 L367 M371 N372 L373	N365-E369 WeakPolarHBondContact O-CG 3.16Å; N365-E369 PolarHBondContact O-N 2.65Å; V366-E369 PolarHBondContact O-N 3.08Å; L367-E369 VanDerWaalsContact C-N 3.35Å; L367-E369 PolarHBondContact O-N 2.91Å; E369-M371 VanDerWaalsContact C-N 3.34Å; E369-M371 PolarHBondContact O-N 2.77Å; E369-N372 PolarHBondContact O-N 3.08Å; E369-L373 WeakPolarHBondContact O-CB 3.2Å; E369-L373 PolarHBondContact O-N 2.85Å
370	T	95	Very high	94.3	Very high	13 Å²	13	68.1 Å²	68.1	8%	0.08	34%	0.344	C	S	.	.	H	α-helix	trans	-60.1	-44.3	176.7	-70.7	0	0	0	0	111.4	V328 A330 V366 L367 L373 L374	V328-T370 HydrophobicContact CG1-CG2 4.42Å; A330-T370 PolarHBondContact O-OG1 2.78Å; V366-T370 WeakPolarHBondContact O-CB 3.46Å; V366-T370 PolarHBondContact O-N 2.87Å; V366-T370 PolarHBondContact O-OG1 2.7Å; L367-T370 PolarHBondContact O-N 2.82Å; T370-L373 PolarHBondContact O-N 2.79Å; T370-L374 WeakPolarHBondContact O-CB 3.31Å; T370-L374 PolarHBondContact O-N 2.84Å
371	M	95.4	Very high	93.8	Very high	18 Å²	18	68.5 Å²	68.5	9%	0.089	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-46.5	177.3	-67.5	-61	-81	0	0	111.2	V356 L367 H368 E369 L373 L374 F375 L389 I411	V356-M371 HydrophobicContact CG2-SD 3.94Å; L367-M371 HydrophobicContact CD1-CG 4.16Å; L367-M371 HydrophobicContact CG-CG 4.42Å; L367-M371 WeakPolarHBondContact O-CB 3.19Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 3.34Å; H368-M371 PolarHBondContact O-N 3.47Å; E369-M371 VanDerWaalsContact C-N 3.34Å; E369-M371 PolarHBondContact O-N 2.77Å; M371-L373 VanDerWaalsContact C-N 3.31Å; M371-L373 PolarHBondContact O-N 3.4Å; M371-L374 WeakPolarHBondContact O-CB 3.21Å; M371-L374 PolarHBondContact O-N 3.23Å; M371-L374 VanDerWaalsContact O-N 3.16Å; M371-L374 HydrophobicContact SD-CD2 4.47Å; M371-F375 HydrophobicContact CE-CE2 4.14Å; M371-F375 WeakPolarHBondContact O-CD2 3.23Å; M371-F375 PolarHBondContact O-N 3.13Å; M371-L389 HydrophobicContact CE-CD1 3.52Å; M371-I411 HydrophobicContact CE-CG2 3.83Å; M371-I411 HydrophobicContact SD-CG2 4.47Å
372	N	95.5	Very high	93.2	Very high	103 Å²	103	63.5 Å²	63.5	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-59.9	-41.3	176.7	-75	-26.4	0	0	0	112.4	H368 E369 R376	H368-N372 WeakPolarHBondContact O-CB 3.46Å; H368-N372 VanDerWaalsContact O-CG 3.24Å; H368-N372 PolarHBondContact O-N 2.67Å; H368-N372 PolarHBondContact O-ND2 3.44Å; E369-N372 PolarHBondContact O-N 3.08Å; N372-R376 WeakPolarHBondContact O-CB 3.49Å; N372-R376 PolarHBondContact O-N 3.46Å
373	L	94.3	Very high	92.7	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-44.8	175	178.4	61.5	0	0	0	111.4	E369 T370 M371 R376 I377	E369-L373 WeakPolarHBondContact O-CB 3.2Å; E369-L373 PolarHBondContact O-N 2.85Å; T370-L373 PolarHBondContact O-N 2.79Å; M371-L373 VanDerWaalsContact C-N 3.31Å; M371-L373 PolarHBondContact O-N 3.4Å; L373-R376 PolarHBondContact O-N 3.49Å; L373-I377 HydrophobicContact CD1-CD1 4.06Å; L373-I377 HydrophobicContact CD1-CG1 4.3Å; L373-I377 HydrophobicContact CG-CD1 3.93Å; L373-I377 WeakPolarHBondContact O-CG1 3.3Å; L373-I377 PolarHBondContact O-N 3.34Å
374	L	95	Very high	92.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-47.2	177.8	179.6	65.5	0	0	0	111.1	F326 V334 V354 V356 T370 M371 R376 I377 L378 I411	F326-L374 HydrophobicContact CE1-CD1 4.45Å; V334-L374 HydrophobicContact CG2-CD1 4.03Å; V354-L374 HydrophobicContact CB-CD2 4.41Å; V354-L374 HydrophobicContact CG1-CD1 4.23Å; V354-L374 HydrophobicContact CG1-CD2 3.73Å; V354-L374 HydrophobicContact CG2-CD1 4.46Å; V356-L374 HydrophobicContact CG2-CD2 4.04Å; T370-L374 WeakPolarHBondContact O-CB 3.31Å; T370-L374 PolarHBondContact O-N 2.84Å; M371-L374 WeakPolarHBondContact O-CB 3.21Å; M371-L374 PolarHBondContact O-N 3.23Å; M371-L374 VanDerWaalsContact O-N 3.16Å; M371-L374 HydrophobicContact SD-CD2 4.47Å; L374-R376 VanDerWaalsContact C-N 3.32Å; L374-R376 PolarHBondContact O-N 2.83Å; L374-I377 PolarHBondContact O-N 3.38Å; L374-L378 HydrophobicContact CD1-CD1 4.1Å; L374-L378 HydrophobicContact CD1-CG 4.29Å; L374-L378 HydrophobicContact CG-CD1 3.98Å; L374-L378 WeakPolarHBondContact O-CG 3.39Å; L374-L378 PolarHBondContact O-N 2.95Å; L374-I411 HydrophobicContact CD2-CD1 3.93Å; L374-I411 HydrophobicContact CD2-CG1 4.46Å; L374-I411 HydrophobicContact CD2-CG2 3.99Å; L374-I411 HydrophobicContact CG-CD1 4.41Å
375	F	94.9	Very high	92.2	Very high	51 Å²	51	63 Å²	63	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-42.9	176.3	-85.9	-120.8	0	0	0	111.5	M371 L378 K379 P387 L389 I411	M371-F375 HydrophobicContact CE-CE2 4.14Å; M371-F375 WeakPolarHBondContact O-CD2 3.23Å; M371-F375 PolarHBondContact O-N 3.13Å; F375-L378 PolarHBondContact O-N 2.96Å; F375-K379 WeakPolarHBondContact O-CB 3.28Å; F375-K379 VanDerWaalsContact O-CG 3.31Å; F375-K379 WeakPolarHBondContact O-CG 3.06Å; F375-K379 PolarHBondContact O-N 2.81Å; F375-P387 HydrophobicContact CB-CG 4.37Å; F375-P387 HydrophobicContact CD1-CB 3.93Å; F375-P387 HydrophobicContact CD1-CG 3.45Å; F375-P387 VanDerWaalsContact CD1-CG 3.45Å; F375-P387 HydrophobicContact CD2-CB 4.34Å; F375-P387 HydrophobicContact CE1-CB 3.93Å; F375-P387 HydrophobicContact CE1-CG 3.79Å; F375-P387 HydrophobicContact CE2-CB 4.37Å; F375-P387 HydrophobicContact CG-CB 4.14Å; F375-P387 HydrophobicContact CG-CG 3.89Å; F375-P387 HydrophobicContact CZ-CB 4.16Å; F375-L389 HydrophobicContact CZ-CB 4.36Å; F375-I411 HydrophobicContact CD2-CD1 3.92Å; F375-I411 HydrophobicContact CE2-CD1 3.47Å; F375-I411 VanDerWaalsContact CE2-CD1 3.47Å; F375-I411 HydrophobicContact CZ-CD1 4.06Å
376	R	94.4	Very high	92	Very high	170 Å²	170	63.8 Å²	63.8	64%	0.642	32%	0.316	S	S	*	.	H	α-helix	trans	-62.5	-41.9	176.5	-170.2	-175	-61.1	137.2	1.9	112.1	N372 L373 L374 S380	N372-R376 WeakPolarHBondContact O-CB 3.49Å; N372-R376 PolarHBondContact O-N 3.46Å; L373-R376 PolarHBondContact O-N 3.49Å; L374-R376 VanDerWaalsContact C-N 3.32Å; L374-R376 PolarHBondContact O-N 2.83Å; R376-S380 PolarHBondContact O-N 3.46Å; R376-S380 VanDerWaalsContact O-N 3.09Å
377	I	93.6	Very high	92	Very high	34 Å²	34	62.4 Å²	62.4	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-46.6	178.2	-69	168.3	0	0	0	110.5	V334 L342 L373 L374 K379 S380 C383	V334-I377 HydrophobicContact CB-CD1 3.78Å; V334-I377 HydrophobicContact CG1-CD1 3.99Å; V334-I377 HydrophobicContact CG2-CD1 3.97Å; L342-I377 HydrophobicContact CD2-CG2 4Å; L373-I377 HydrophobicContact CD1-CD1 4.06Å; L373-I377 HydrophobicContact CD1-CG1 4.3Å; L373-I377 HydrophobicContact CG-CD1 3.93Å; L373-I377 WeakPolarHBondContact O-CG1 3.3Å; L373-I377 PolarHBondContact O-N 3.34Å; L374-I377 PolarHBondContact O-N 3.38Å; I377-K379 PolarHBondContact O-N 2.69Å; I377-S380 VanDerWaalsContact O-CB 3.22Å; I377-S380 WeakPolarHBondContact O-CB 3.43Å; I377-S380 PolarHBondContact O-N 2.76Å; I377-S380 PolarHBondContact O-OG 3.47Å; I377-C383 PolarHBondContact O-SG 2.61Å; I377-C383 VanDerWaalsContact O-SG 3.39Å
378	L	93.1	Very high	91.9	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-35.3	-179	-68.9	173.6	0	0	0	112.9	V354 L374 F375 S380 C383 K385 P387 C409 I411	V354-L378 HydrophobicContact CG2-CD1 4.15Å; L374-L378 HydrophobicContact CD1-CD1 4.1Å; L374-L378 HydrophobicContact CD1-CG 4.29Å; L374-L378 HydrophobicContact CG-CD1 3.98Å; L374-L378 WeakPolarHBondContact O-CG 3.39Å; L374-L378 PolarHBondContact O-N 2.95Å; F375-L378 PolarHBondContact O-N 2.96Å; L378-S380 VanDerWaalsContact C-N 3.32Å; L378-C383 WeakPolarHBondContact O-CB 3.16Å; L378-K385 HydrophobicContact CB-CB 4.33Å; L378-K385 PolarHBondContact O-N 3.31Å; L378-P387 HydrophobicContact CD1-CB 3.99Å; L378-C409 HydrophobicContact CD1-CB 4.47Å; L378-I411 HydrophobicContact CD1-CD1 3.91Å; L378-I411 HydrophobicContact CD1-CG1 4.42Å
379	K	93.4	Very high	91.9	Very high	139 Å²	139	59.6 Å²	59.6	60%	0.604	30%	0.3	S	S	*	.	H	α-helix	trans	-79	-12.4	174.9	-68.8	-179.2	179.4	-174.5	0	113.9	F375 I377 P387	F375-K379 WeakPolarHBondContact O-CB 3.28Å; F375-K379 VanDerWaalsContact O-CG 3.31Å; F375-K379 WeakPolarHBondContact O-CG 3.06Å; F375-K379 PolarHBondContact O-N 2.81Å; I377-K379 PolarHBondContact O-N 2.69Å; K379-P387 HydrophobicContact CD-CG 4.4Å; K379-P387 HydrophobicContact CG-CG 4.09Å
380	S	91.1	Very high	92	Very high	39 Å²	39	53.7 Å²	53.7	27%	0.273	27%	0.273	S	S	.	.	S	Bend	trans	-58.6	154.1	-179.6	74.9	0	0	0	0	111.5	R376 I377 L378 G382 C383 R384	R376-S380 PolarHBondContact O-N 3.46Å; R376-S380 VanDerWaalsContact O-N 3.09Å; I377-S380 VanDerWaalsContact O-CB 3.22Å; I377-S380 WeakPolarHBondContact O-CB 3.43Å; I377-S380 PolarHBondContact O-N 2.76Å; I377-S380 PolarHBondContact O-OG 3.47Å; L378-S380 VanDerWaalsContact C-N 3.32Å; S380-G382 PolarHBondContact O-N 2.68Å; S380-C383 PolarHBondContact O-N 2.77Å; S380-R384 PolarHBondContact O-N 3.03Å
381	P	82.5	Confident	91.8	Very high	75 Å²	75	57 Å²	57	49%	0.487	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.1	178.7	22.6	-35.2	0	0	0	113.5	R384	P381-R384 WeakPolarHBondContact O-CG 3.11Å; P381-R384 PolarHBondContact O-NE 2.88Å
382	G	78.6	Confident	91.8	Very high	29 Å²	29	58.2 Å²	58.2	30%	0.299	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-27.6	177.1	0	0	0	0	0	115.2	S380	S380-G382 PolarHBondContact O-N 2.68Å
383	C	83.9	Confident	91.7	Very high	18 Å²	18	56.5 Å²	56.5	12%	0.122	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-38.4	-179.2	-59	0	0	0	0	112.1	L346 I377 L378 S380 K385	L346-C383 HydrophobicContact CD1-CB 4.06Å; L346-C383 WeakPolarHBondContact CD1-SG 3.48Å; I377-C383 PolarHBondContact O-SG 2.61Å; I377-C383 VanDerWaalsContact O-SG 3.39Å; L378-C383 WeakPolarHBondContact O-CB 3.16Å; S380-C383 PolarHBondContact O-N 2.77Å; C383-K385 HydrophobicContact CB-CG 4.16Å; C383-K385 WeakPolarHBondContact O-CG 3.44Å; C383-K385 PolarHBondContact O-N 2.63Å
384	R	87.8	Confident	91.6	Very high	113 Å²	113	57 Å²	57	43%	0.426	30%	0.304	S	S	.	.			trans	48.6	38.1	-176.2	-58.3	-179.4	-176.8	176.2	-4	113.2	S380 P381	S380-R384 PolarHBondContact O-N 3.03Å; P381-R384 WeakPolarHBondContact O-CG 3.11Å; P381-R384 PolarHBondContact O-NE 2.88Å
385	K	90.8	Very high	91.6	Very high	27 Å²	27	59.8 Å²	59.8	12%	0.117	32%	0.318	C	S	.	.			trans	-99.4	150.6	180	-57.8	-63.4	177.2	171.2	0	111.5	L346 L378 C383 P387 E406 R407 C409	L346-K385 VanDerWaalsContact CD2-CE 3.5Å; L378-K385 HydrophobicContact CB-CB 4.33Å; L378-K385 PolarHBondContact O-N 3.31Å; C383-K385 HydrophobicContact CB-CG 4.16Å; C383-K385 WeakPolarHBondContact O-CG 3.44Å; C383-K385 PolarHBondContact O-N 2.63Å; K385-P387 VanDerWaalsContact O-CD 3.3Å; K385-P387 WeakPolarHBondContact O-CD 3.46Å; K385-E406 WeakPolarHBondContact CD-O 3.49Å; K385-E406 PolarHBondContact NZ-O 3.2Å; K385-R407 CarbonylContact C-O 3.52Å; K385-R407 WeakPolarHBondContact CA-O 3.48Å; K385-R407 WeakPolarHBondContact CB-O 3.29Å; K385-R407 WeakPolarHBondContact CD-O 3.49Å; K385-C409 HydrophobicContact CB-CB 3.92Å; K385-C409 HydrophobicContact CG-CB 4.39Å
386	I	92.5	Very high	91.5	Very high	110 Å²	110	57.3 Å²	57.3	56%	0.564	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	102.1	172.3	-57.5	174	0	0	0	107.3	R407 C409	I386-R407 PolarHBondContact N-O 2.68Å; I386-C409 PolarHBondContact O-N 3.37Å
387	P	94	Very high	91.4	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.4	178.4	28.3	-33.9	0	0	0	110.9	F375 L378 K379 K385 C409 I411	F375-P387 HydrophobicContact CB-CG 4.37Å; F375-P387 HydrophobicContact CD1-CB 3.93Å; F375-P387 HydrophobicContact CD1-CG 3.45Å; F375-P387 VanDerWaalsContact CD1-CG 3.45Å; F375-P387 HydrophobicContact CD2-CB 4.34Å; F375-P387 HydrophobicContact CE1-CB 3.93Å; F375-P387 HydrophobicContact CE1-CG 3.79Å; F375-P387 HydrophobicContact CE2-CB 4.37Å; F375-P387 HydrophobicContact CG-CB 4.14Å; F375-P387 HydrophobicContact CG-CG 3.89Å; F375-P387 HydrophobicContact CZ-CB 4.16Å; L378-P387 HydrophobicContact CD1-CB 3.99Å; K379-P387 HydrophobicContact CD-CG 4.4Å; K379-P387 HydrophobicContact CG-CG 4.09Å; K385-P387 VanDerWaalsContact O-CD 3.3Å; K385-P387 WeakPolarHBondContact O-CD 3.46Å; P387-C409 WeakPolarHBondContact CA-O 3.41Å; P387-I411 HydrophobicContact CB-CD1 3.62Å
388	A	93.7	Very high	91.3	Very high	26 Å²	26	50.1 Å²	50.1	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.6	175	0	0	0	0	0	109.4	M408 C409 P410 I411	A388-M408 HydrophobicContact CB-CG 4.35Å; A388-C409 PolarHBondContact N-O 2.84Å; A388-P410 CarbonylContact O-C 3.42Å; A388-P410 WeakPolarHBondContact O-CA 3.28Å; A388-I411 PolarHBondContact O-N 3.25Å
389	L	95.7	Very high	91.2	Very high	75 Å²	75	50.3 Å²	50.3	39%	0.393	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.8	177.5	179.6	61.4	0	0	0	109.6	M371 F375 I411	M371-L389 HydrophobicContact CE-CD1 3.52Å; F375-L389 HydrophobicContact CZ-CB 4.36Å; L389-I411 HydrophobicContact CD1-CB 4.47Å; L389-I411 HydrophobicContact CD1-CG2 4.4Å
390	I	95.8	Very high	91	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.4	179.8	-53.7	-55.8	0	0	0	109.5	D395 V396 C399 P410 I411 F412 L424	I390-D395 HydrophobicContact CD1-CB 3.89Å; I390-D395 HydrophobicContact CG2-CB 4.26Å; I390-V396 HydrophobicContact CG2-CG2 3.38Å; I390-C399 HydrophobicContact CD1-CB 3.92Å; I390-C399 WeakPolarHBondContact CD1-SG 3.46Å; I390-P410 HydrophobicContact CD1-CB 4.18Å; I390-P410 HydrophobicContact CG1-CB 4.16Å; I390-I411 PolarHBondContact N-O 3Å; I390-F412 HydrophobicContact CB-CD1 3.96Å; I390-F412 HydrophobicContact CB-CE1 3.95Å; I390-F412 HydrophobicContact CB-CZ 4.47Å; I390-F412 HydrophobicContact CG1-CD1 4.08Å; I390-F412 HydrophobicContact CG1-CD2 4.47Å; I390-F412 HydrophobicContact CG1-CE1 3.77Å; I390-F412 HydrophobicContact CG1-CE2 4.17Å; I390-F412 HydrophobicContact CG1-CG 4.41Å; I390-F412 HydrophobicContact CG1-CZ 3.77Å; I390-F412 HydrophobicContact CG2-CD1 3.99Å; I390-F412 HydrophobicContact CG2-CE1 3.71Å; I390-F412 HydrophobicContact CG2-CZ 4.47Å; I390-L424 HydrophobicContact CG2-CB 4.43Å; I390-L424 HydrophobicContact CG2-CD1 4.22Å
391	S	92.7	Very high	90.8	Very high	84 Å²	84	43 Å²	43	59%	0.587	25%	0.252	S	S	*	.			trans	-124	-18.7	176.7	-49.6	0	0	0	0	112.8	D395	S391-D395 PolarHBondContact N-OD2 3.21Å
392	S	95.2	Very high	91	Very high	42 Å²	42	43.5 Å²	43.5	29%	0.294	25%	0.251	S	S	.	.	S	Bend	trans	-136.6	164.8	-176.8	67.7	0	0	0	0	112	D394 D395 V396	S392-D394 PolarHBondContact O-N 3.33Å; S392-D395 PolarHBondContact N-OD2 3.43Å; S392-D395 WeakPolarHBondContact O-CB 3.15Å; S392-D395 PolarHBondContact O-N 3.16Å; S392-D395 PolarHBondContact OG-N 3.07Å; S392-D395 PolarHBondContact OG-OD2 2.87Å; S392-V396 PolarHBondContact O-N 2.91Å
393	T	93.4	Very high	91.2	Very high	67 Å²	67	42.1 Å²	42.1	41%	0.411	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-35	171.5	-61.1	0	0	0	0	112.2	D395 V396 I397 L427	T393-D395 VanDerWaalsContact C-N 3.35Å; T393-D395 PolarHBondContact O-N 2.88Å; T393-V396 WeakPolarHBondContact O-CB 3.47Å; T393-V396 PolarHBondContact O-N 3.45Å; T393-V396 VanDerWaalsContact O-N 3.17Å; T393-I397 HydrophobicContact CG2-CD1 3.93Å; T393-I397 WeakPolarHBondContact O-CG1 3.4Å; T393-I397 PolarHBondContact O-N 3.17Å; T393-L427 HydrophobicContact CG2-CD2 3.57Å
394	D	92.3	Very high	90.7	Very high	80 Å²	80	45.3 Å²	45.3	43%	0.428	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-38.3	177.7	-71.5	-42.6	0	0	0	112.3	R84 S392 V396 I397 C398	R84-D394 VanDerWaalsContact CD-OD1 3.32Å; R84-D394 WeakPolarHBondContact CD-OD1 3.46Å; R84-D394 PolarHBondContact NH1-O 2.83Å; S392-D394 PolarHBondContact O-N 3.33Å; D394-V396 VanDerWaalsContact C-N 3.29Å; D394-V396 PolarHBondContact O-N 3.12Å; D394-I397 PolarHBondContact O-N 2.78Å; D394-C398 VanDerWaalsContact O-CB 3.28Å; D394-C398 WeakPolarHBondContact O-CB 3.38Å; D394-C398 PolarHBondContact O-N 3.31Å
395	D	93.3	Very high	89.8	Confident	57 Å²	57	43.2 Å²	43.2	31%	0.305	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-39.6	173.9	-57.5	-40.1	0	0	0	110.6	I390 S391 S392 T393 C399	I390-D395 HydrophobicContact CD1-CB 3.89Å; I390-D395 HydrophobicContact CG2-CB 4.26Å; S391-D395 PolarHBondContact N-OD2 3.21Å; S392-D395 PolarHBondContact N-OD2 3.43Å; S392-D395 WeakPolarHBondContact O-CB 3.15Å; S392-D395 PolarHBondContact O-N 3.16Å; S392-D395 PolarHBondContact OG-N 3.07Å; S392-D395 PolarHBondContact OG-OD2 2.87Å; T393-D395 VanDerWaalsContact C-N 3.35Å; T393-D395 PolarHBondContact O-N 2.88Å; D395-C399 WeakPolarHBondContact O-CB 3.48Å; D395-C399 PolarHBondContact O-N 3.07Å; D395-C399 PolarHBondContact O-SG 3.49Å
396	V	94.1	Very high	89.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-48.3	177.4	174.6	0	0	0	0	110.9	I390 S392 T393 D394 C399 A400 F412 L424 L427 F428 L431	I390-V396 HydrophobicContact CG2-CG2 3.38Å; S392-V396 PolarHBondContact O-N 2.91Å; T393-V396 WeakPolarHBondContact O-CB 3.47Å; T393-V396 PolarHBondContact O-N 3.45Å; T393-V396 VanDerWaalsContact O-N 3.17Å; D394-V396 VanDerWaalsContact C-N 3.29Å; D394-V396 PolarHBondContact O-N 3.12Å; V396-C399 PolarHBondContact O-N 3.46Å; V396-A400 WeakPolarHBondContact O-CB 3.49Å; V396-A400 PolarHBondContact O-N 3.38Å; V396-F412 HydrophobicContact CG2-CE1 4.21Å; V396-L424 HydrophobicContact CG2-CB 4.04Å; V396-L424 HydrophobicContact CG2-CD2 4.21Å; V396-L427 HydrophobicContact CB-CD2 4.37Å; V396-L427 HydrophobicContact CG1-CB 4.32Å; V396-L427 HydrophobicContact CG1-CD2 4.07Å; V396-L427 HydrophobicContact CG1-CG 3.93Å; V396-F428 HydrophobicContact CG1-CB 3.75Å; V396-F428 HydrophobicContact CG1-CD2 4.29Å; V396-L431 HydrophobicContact CG1-CD1 4.24Å
397	I	92.2	Very high	88.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-46.7	-178.1	-64.4	161.9	0	0	0	110.5	L83 R84 E197 T393 D394 C399 A400 T401 L431	L83-I397 HydrophobicContact CB-CD1 3.99Å; L83-I397 HydrophobicContact CB-CG1 4.42Å; L83-I397 HydrophobicContact CB-CG2 4.29Å; L83-I397 HydrophobicContact CD1-CG2 4.28Å; L83-I397 WeakPolarHBondContact O-CD1 3.47Å; R84-I397 HydrophobicContact CB-CD1 3.88Å; R84-I397 HydrophobicContact CG-CD1 4.01Å; R84-I397 HydrophobicContact CG-CG2 4.25Å; E197-I397 VanDerWaalsContact OE2-CG2 3.28Å; E197-I397 WeakPolarHBondContact OE2-CG2 3.35Å; T393-I397 HydrophobicContact CG2-CD1 3.93Å; T393-I397 WeakPolarHBondContact O-CG1 3.4Å; T393-I397 PolarHBondContact O-N 3.17Å; D394-I397 PolarHBondContact O-N 2.78Å; I397-C399 PolarHBondContact O-N 2.77Å; I397-A400 PolarHBondContact O-N 2.95Å; I397-T401 WeakPolarHBondContact O-CG2 3.41Å; I397-T401 PolarHBondContact O-N 2.99Å; I397-T401 PolarHBondContact O-OG1 3.09Å; I397-L431 HydrophobicContact CG1-CD1 4.1Å
398	C	90.3	Very high	88.8	Confident	50 Å²	50	47.7 Å²	47.7	34%	0.338	27%	0.27	S	S	.	.	H	α-helix	trans	-58	-38.8	174.4	-173.3	0	0	0	0	111.6	D394 T401 N402	D394-C398 VanDerWaalsContact O-CB 3.28Å; D394-C398 WeakPolarHBondContact O-CB 3.38Å; D394-C398 PolarHBondContact O-N 3.31Å; C398-T401 PolarHBondContact O-OG1 3.18Å; C398-N402 PolarHBondContact O-N 2.63Å; C398-N402 PolarHBondContact O-ND2 2.91Å
399	C	91.8	Very high	88.8	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.034	26%	0.26	C	S	.	.	H	α-helix	trans	-71.2	-45	177.6	-77.9	0	0	0	0	112.3	I390 D395 V396 I397 T401 N402 F403 M408 P410 F428	I390-C399 HydrophobicContact CD1-CB 3.92Å; I390-C399 WeakPolarHBondContact CD1-SG 3.46Å; D395-C399 WeakPolarHBondContact O-CB 3.48Å; D395-C399 PolarHBondContact O-N 3.07Å; D395-C399 PolarHBondContact O-SG 3.49Å; V396-C399 PolarHBondContact O-N 3.46Å; I397-C399 PolarHBondContact O-N 2.77Å; C399-T401 PolarHBondContact O-N 2.95Å; C399-N402 PolarHBondContact O-N 2.86Å; C399-F403 WeakPolarHBondContact O-CA 3.22Å; C399-F403 WeakPolarHBondContact O-CB 3.2Å; C399-F403 PolarHBondContact O-N 3.47Å; C399-M408 HydrophobicContact CB-CE 4.03Å; C399-M408 HydrophobicContact CB-SD 4.48Å; C399-M408 WeakPolarHBondContact O-CE 3.02Å; C399-P410 HydrophobicContact CB-CB 4.24Å; C399-P410 HydrophobicContact CB-CG 3.79Å; C399-F428 HydrophobicContact CB-CE2 4.47Å
400	A	90.3	Very high	88.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-42.4	-177.9	0	0	0	0	0	112.3	F44 V396 I397 F428 L431	F44-A400 HydrophobicContact CZ-CB 4.28Å; V396-A400 WeakPolarHBondContact O-CB 3.49Å; V396-A400 PolarHBondContact O-N 3.38Å; I397-A400 PolarHBondContact O-N 2.95Å; A400-F428 HydrophobicContact CB-CD2 4.28Å; A400-F428 HydrophobicContact CB-CE2 4.39Å; A400-L431 HydrophobicContact CB-CB 3.6Å; A400-L431 HydrophobicContact CB-CD1 4.08Å
401	T	86.3	Confident	88.9	Confident	25 Å²	25	42.8 Å²	42.8	15%	0.153	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-44.4	177.8	48.3	0	0	0	0	112.2	F44 I397 C398 C399	F44-T401 HydrophobicContact CB-CG2 4.48Å; F44-T401 HydrophobicContact CD1-CG2 3.74Å; F44-T401 HydrophobicContact CD2-CG2 4.38Å; F44-T401 HydrophobicContact CE1-CG2 3.97Å; F44-T401 HydrophobicContact CG-CG2 3.95Å; F44-T401 HydrophobicContact CZ-CG2 4.39Å; I397-T401 WeakPolarHBondContact O-CG2 3.41Å; I397-T401 PolarHBondContact O-N 2.99Å; I397-T401 PolarHBondContact O-OG1 3.09Å; C398-T401 PolarHBondContact O-OG1 3.18Å; C399-T401 PolarHBondContact O-N 2.95Å
402	N	85.6	Confident	89.1	Confident	85 Å²	85	38.9 Å²	38.9	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-89.5	-3.9	-177.4	-64.2	-72.1	0	0	0	114.1	C398 C399 T404 S405 M408	C398-N402 PolarHBondContact O-N 2.63Å; C398-N402 PolarHBondContact O-ND2 2.91Å; C399-N402 PolarHBondContact O-N 2.86Å; N402-T404 PolarHBondContact O-N 2.99Å; N402-S405 WeakPolarHBondContact O-CB 3.48Å; N402-S405 PolarHBondContact O-N 2.97Å; N402-S405 PolarHBondContact O-OG 3.22Å; N402-M408 HydrophobicContact CB-CE 3.48Å; N402-M408 VanDerWaalsContact CB-CE 3.48Å; N402-M408 HydrophobicContact CB-SD 4.18Å
403	F	84.6	Confident	89.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-65.4	-27.5	-174.7	-165.1	-138	0	0	0	112.7	Y323 P351 F353 C399 S405 E406 M408 P410 F428 L432	Y323-F403 HydrophobicContact CD1-CD1 4.01Å; Y323-F403 AromaticContact CD1-CE1 3.32Å; Y323-F403 HydrophobicContact CD1-CE1 3.32Å; Y323-F403 HydrophobicContact CD1-CZ 4.19Å; Y323-F403 AromaticContact CE1-CD1 3.6Å; Y323-F403 HydrophobicContact CE1-CD1 3.6Å; Y323-F403 AromaticContact CE1-CE1 3.43Å; Y323-F403 HydrophobicContact CE1-CE1 3.43Å; Y323-F403 VanDerWaalsContact CE1-CE1 3.43Å; Y323-F403 HydrophobicContact CG-CE1 4.32Å; P351-F403 HydrophobicContact CB-CE1 4.18Å; P351-F403 HydrophobicContact CB-CE2 4.39Å; P351-F403 HydrophobicContact CB-CZ 3.91Å; F353-F403 HydrophobicContact CB-CE2 4.44Å; F353-F403 HydrophobicContact CB-CZ 4.01Å; F353-F403 HydrophobicContact CD1-CE1 4.36Å; F353-F403 HydrophobicContact CD1-CZ 4.19Å; C399-F403 WeakPolarHBondContact O-CA 3.22Å; C399-F403 WeakPolarHBondContact O-CB 3.2Å; C399-F403 PolarHBondContact O-N 3.47Å; F403-S405 PolarHBondContact O-N 3.39Å; F403-S405 VanDerWaalsContact O-N 3.13Å; F403-E406 PolarHBondContact O-N 2.81Å; F403-E406 VanDerWaalsContact O-N 3.16Å; F403-M408 HydrophobicContact CB-CE 4.36Å; F403-M408 WeakPolarHBondContact CE2-O 3Å; F403-P410 HydrophobicContact CD2-CG 4Å; F403-P410 VanDerWaalsContact CE2-CD 3.41Å; F403-P410 HydrophobicContact CE2-CG 4.14Å; F403-F428 HydrophobicContact CD1-CZ 4.02Å; F403-F428 HydrophobicContact CE1-CZ 4.04Å; F403-F428 HydrophobicContact CG-CZ 4.38Å; F403-F428 HydrophobicContact CZ-CZ 4.48Å; F403-L432 HydrophobicContact CD1-CD2 3.58Å; F403-L432 HydrophobicContact CE1-CD2 3.77Å
404	T	71.4	Confident	89.4	Confident	85 Å²	85	34.6 Å²	34.6	52%	0.521	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-57.4	-26.2	176.6	-49.3	0	0	0	0	112.6	N402 E406	N402-T404 PolarHBondContact O-N 2.99Å; T404-E406 PolarHBondContact O-N 3.07Å
405	S	70.9	Confident	89.6	Confident	70 Å²	70	30.8 Å²	30.8	49%	0.49	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-66.1	-2.6	178.1	69	0	0	0	0	114.9	N402 F403 R407	N402-S405 WeakPolarHBondContact O-CB 3.48Å; N402-S405 PolarHBondContact O-N 2.97Å; N402-S405 PolarHBondContact O-OG 3.22Å; F403-S405 PolarHBondContact O-N 3.39Å; F403-S405 VanDerWaalsContact O-N 3.13Å; S405-R407 PolarHBondContact O-N 3.2Å
406	E	77.3	Confident	89.6	Confident	70 Å²	70	28.5 Å²	28.5	33%	0.327	15%	0.153	S	C	.	.	S	Bend	trans	56.6	-11.7	-176.7	-54.9	-167.6	163.8	0	0	115.9	P351 K385 F403 T404 R435	P351-E406 HydrophobicContact CG-CG 4.32Å; K385-E406 WeakPolarHBondContact CD-O 3.49Å; K385-E406 PolarHBondContact NZ-O 3.2Å; F403-E406 PolarHBondContact O-N 2.81Å; F403-E406 VanDerWaalsContact O-N 3.16Å; T404-E406 PolarHBondContact O-N 3.07Å; E406-R435 IonicContact OE1-CZ 2.68Å; E406-R435 IonicContact OE1-NH1 2.85Å; E406-R435 PolarHBondContact OE1-NH1 2.82Å; E406-R435 IonicContact OE1-NH2 3.43Å; E406-R435 PolarHBondContact OE1-NH2 2.91Å
407	R	86.7	Confident	89.7	Confident	149 Å²	149	30.7 Å²	30.7	56%	0.562	17%	0.167	S	C	*	.	S	Bend	trans	-86.1	-35.9	-177.7	-67.3	-173.2	-177.1	-172.6	2.8	112.2	K385 I386 S405	K385-R407 CarbonylContact C-O 3.52Å; K385-R407 WeakPolarHBondContact CA-O 3.48Å; K385-R407 WeakPolarHBondContact CB-O 3.29Å; K385-R407 WeakPolarHBondContact CD-O 3.49Å; I386-R407 PolarHBondContact N-O 2.68Å; S405-R407 PolarHBondContact O-N 3.2Å
408	M	90.6	Very high	89.7	Confident	25 Å²	25	35.8 Å²	35.8	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143.2	-179.3	-167.5	169.5	56	0	0	111.3	A388 C399 N402 F403	A388-M408 HydrophobicContact CB-CG 4.35Å; C399-M408 HydrophobicContact CB-CE 4.03Å; C399-M408 HydrophobicContact CB-SD 4.48Å; C399-M408 WeakPolarHBondContact O-CE 3.02Å; N402-M408 HydrophobicContact CB-CE 3.48Å; N402-M408 VanDerWaalsContact CB-CE 3.48Å; N402-M408 HydrophobicContact CB-SD 4.18Å; F403-M408 HydrophobicContact CB-CE 4.36Å; F403-M408 WeakPolarHBondContact CE2-O 3Å
409	C	94	Very high	89.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	95.6	179.3	-171.9	0	0	0	0	109.4	V352 L378 K385 I386 P387 A388	V352-C409 PolarHBondContact O-SG 2.85Å; L378-C409 HydrophobicContact CD1-CB 4.47Å; K385-C409 HydrophobicContact CB-CB 3.92Å; K385-C409 HydrophobicContact CG-CB 4.39Å; I386-C409 PolarHBondContact O-N 3.37Å; P387-C409 WeakPolarHBondContact CA-O 3.41Å; A388-C409 PolarHBondContact N-O 2.84Å
410	P	96.2	Very high	90.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.5	175.8	-24.3	36.6	0	0	0	111.1	F353 V354 A388 I390 C399 F403 F412 F428	F353-P410 HydrophobicContact CB-CB 4.29Å; F353-P410 HydrophobicContact CB-CG 4.44Å; V354-P410 PolarHBondContact N-O 3.16Å; A388-P410 CarbonylContact O-C 3.42Å; A388-P410 WeakPolarHBondContact O-CA 3.28Å; I390-P410 HydrophobicContact CD1-CB 4.18Å; I390-P410 HydrophobicContact CG1-CB 4.16Å; C399-P410 HydrophobicContact CB-CB 4.24Å; C399-P410 HydrophobicContact CB-CG 3.79Å; F403-P410 HydrophobicContact CD2-CG 4Å; F403-P410 VanDerWaalsContact CE2-CD 3.41Å; F403-P410 HydrophobicContact CE2-CG 4.14Å; P410-F412 HydrophobicContact CB-CE2 3.75Å; P410-F412 HydrophobicContact CB-CZ 4.26Å; P410-F428 HydrophobicContact CB-CE2 4.41Å; P410-F428 HydrophobicContact CB-CZ 4.33Å; P410-F428 HydrophobicContact CG-CE2 3.97Å; P410-F428 HydrophobicContact CG-CZ 3.9Å
411	I	97.1	Very high	90.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.6	179.3	-54	175.5	0	0	0	108.6	V354 V356 M371 L374 F375 L378 P387 A388 L389 I390	V354-I411 HydrophobicContact CB-CG1 4.16Å; V354-I411 HydrophobicContact CB-CG2 4.31Å; V354-I411 HydrophobicContact CG1-CG2 4.48Å; V354-I411 HydrophobicContact CG2-CG1 4.45Å; V354-I411 CarbonylContact O-C 3.4Å; V354-I411 WeakPolarHBondContact O-CA 3.41Å; V356-I411 HydrophobicContact CG2-CG2 4.01Å; M371-I411 HydrophobicContact CE-CG2 3.83Å; M371-I411 HydrophobicContact SD-CG2 4.47Å; L374-I411 HydrophobicContact CD2-CD1 3.93Å; L374-I411 HydrophobicContact CD2-CG1 4.46Å; L374-I411 HydrophobicContact CD2-CG2 3.99Å; L374-I411 HydrophobicContact CG-CD1 4.41Å; F375-I411 HydrophobicContact CD2-CD1 3.92Å; F375-I411 HydrophobicContact CE2-CD1 3.47Å; F375-I411 VanDerWaalsContact CE2-CD1 3.47Å; F375-I411 HydrophobicContact CZ-CD1 4.06Å; L378-I411 HydrophobicContact CD1-CD1 3.91Å; L378-I411 HydrophobicContact CD1-CG1 4.42Å; P387-I411 HydrophobicContact CB-CD1 3.62Å; A388-I411 PolarHBondContact O-N 3.25Å; L389-I411 HydrophobicContact CD1-CB 4.47Å; L389-I411 HydrophobicContact CD1-CG2 4.4Å; I390-I411 PolarHBondContact N-O 3Å
412	F	97.8	Very high	90.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.4	176.8	-60.8	-94.7	0	0	0	109.9	F353 V354 V355 V356 I390 V396 P410 V414 L425 F428	F353-F412 HydrophobicContact CD2-CD2 4.28Å; F353-F412 HydrophobicContact CD2-CE2 4.21Å; V354-F412 PolarHBondContact O-N 3.26Å; V355-F412 CarbonylContact C-O 3.56Å; V355-F412 WeakPolarHBondContact CA-O 3.44Å; V355-F412 HydrophobicContact CG2-CB 4.33Å; V355-F412 HydrophobicContact CG2-CD2 4.37Å; V356-F412 PolarHBondContact N-O 2.86Å; I390-F412 HydrophobicContact CB-CD1 3.96Å; I390-F412 HydrophobicContact CB-CE1 3.95Å; I390-F412 HydrophobicContact CB-CZ 4.47Å; I390-F412 HydrophobicContact CG1-CD1 4.08Å; I390-F412 HydrophobicContact CG1-CD2 4.47Å; I390-F412 HydrophobicContact CG1-CE1 3.77Å; I390-F412 HydrophobicContact CG1-CE2 4.17Å; I390-F412 HydrophobicContact CG1-CG 4.41Å; I390-F412 HydrophobicContact CG1-CZ 3.77Å; I390-F412 HydrophobicContact CG2-CD1 3.99Å; I390-F412 HydrophobicContact CG2-CE1 3.71Å; I390-F412 HydrophobicContact CG2-CZ 4.47Å; V396-F412 HydrophobicContact CG2-CE1 4.21Å; P410-F412 HydrophobicContact CB-CE2 3.75Å; P410-F412 HydrophobicContact CB-CZ 4.26Å; F412-V414 HydrophobicContact CB-CG1 4.06Å; F412-L425 HydrophobicContact CD1-CB 4.23Å; F412-L425 HydrophobicContact CD1-CD1 4.32Å; F412-L425 HydrophobicContact CD2-CD1 4.06Å; F412-L425 HydrophobicContact CE2-CD1 4.32Å; F412-L425 HydrophobicContact CG-CD1 4.09Å; F412-F428 HydrophobicContact CE1-CB 3.81Å; F412-F428 HydrophobicContact CE1-CG 4.2Å; F412-F428 HydrophobicContact CE2-CB 4.35Å; F412-F428 AromaticContact CE2-CD1 3.66Å; F412-F428 HydrophobicContact CE2-CD1 3.66Å; F412-F428 HydrophobicContact CE2-CD2 4.44Å; F412-F428 AromaticContact CE2-CE1 3.98Å; F412-F428 HydrophobicContact CE2-CE1 3.98Å; F412-F428 AromaticContact CE2-CG 3.91Å; F412-F428 HydrophobicContact CE2-CG 3.91Å; F412-F428 HydrophobicContact CZ-CB 3.4Å; F412-F428 VanDerWaalsContact CZ-CB 3.4Å; F412-F428 AromaticContact CZ-CD1 3.55Å; F412-F428 HydrophobicContact CZ-CD1 3.55Å; F412-F428 AromaticContact CZ-CD2 3.8Å; F412-F428 HydrophobicContact CZ-CD2 3.8Å; F412-F428 HydrophobicContact CZ-CE1 4.22Å; F412-F428 HydrophobicContact CZ-CE2 4.44Å; F412-F428 AromaticContact CZ-CG 3.29Å; F412-F428 HydrophobicContact CZ-CG 3.29Å
413	S	96.8	Very high	91.2	Very high	19 Å²	19	39 Å²	39	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	108.9	171.9	-67.4	0	0	0	0	108.9	N421	S413-N421 VanDerWaalsContact O-CB 3.27Å; S413-N421 WeakPolarHBondContact O-CB 3.31Å; S413-N421 PolarHBondContact O-ND2 2.82Å
414	V	97	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-124.7	150.8	-170.8	-54.9	0	0	0	0	113.6	V355 V356 T357 K358 F412 T420 N421 L422 L425	V355-V414 HydrophobicContact CG1-CB 4.41Å; V355-V414 HydrophobicContact CG1-CG1 4.13Å; V355-V414 HydrophobicContact CG1-CG2 3.38Å; V356-V414 PolarHBondContact O-N 3.33Å; T357-V414 WeakPolarHBondContact CA-O 3.27Å; T357-V414 HydrophobicContact CG2-CG2 3.94Å; K358-V414 PolarHBondContact N-O 3.39Å; F412-V414 HydrophobicContact CB-CG1 4.06Å; V414-T420 WeakPolarHBondContact CA-O 3.17Å; V414-N421 HydrophobicContact CG1-CB 4.29Å; V414-L422 HydrophobicContact CB-CD2 4.06Å; V414-L422 HydrophobicContact CG1-CD2 4.39Å; V414-L425 HydrophobicContact CG1-CD2 4.44Å
415	S	96.5	Very high	93	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.			trans	-117.9	124.9	166.7	-179.7	0	0	0	0	110.8	D360 V417 N418 G419 T420	D360-S415 WeakPolarHBondContact CB-OG 3.29Å; D360-S415 WeakPolarHBondContact OD1-CB 3.41Å; D360-S415 PolarHBondContact OD1-OG 2.9Å; S415-V417 VanDerWaalsContact C-N 3.28Å; S415-V417 PolarHBondContact OG-N 3.07Å; S415-N418 PolarHBondContact OG-N 3.18Å; S415-N418 VanDerWaalsContact OG-N 3.13Å; S415-G419 CarbonylContact O-C 3.59Å; S415-G419 VanDerWaalsContact O-CA 3.24Å; S415-G419 WeakPolarHBondContact O-CA 3.44Å; S415-G419 PolarHBondContact O-N 2.93Å; S415-T420 PolarHBondContact N-O 3.26Å
416	N	95.1	Very high	94.2	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.048	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.4	174.3	-68.9	-23.2	0	0	0	112.8	T226 L227 V230 D237	T226-N416 HydrophobicContact CG2-CB 4.21Å; L227-N416 WeakPolarHBondContact CD1-OD1 3.49Å; L227-N416 PolarHBondContact N-ND2 2.88Å; V230-N416 HydrophobicContact CG2-CB 4.09Å; D237-N416 HydrophobicContact CB-CB 4.25Å; D237-N416 PolarHBondContact N-O 3.47Å
417	V	94.8	Very high	95.1	Very high	47 Å²	47	34 Å²	34	29%	0.285	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-49.1	-177.9	-177.6	0	0	0	0	110.1	L236 D237 S415	L236-V417 WeakPolarHBondContact CD1-O 3.47Å; D237-V417 WeakPolarHBondContact O-CA 3.43Å; S415-V417 VanDerWaalsContact C-N 3.28Å; S415-V417 PolarHBondContact OG-N 3.07Å
418	N	93.8	Very high	95.5	Very high	110 Å²	110	26.9 Å²	26.9	59%	0.588	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-12.8	-177.3	-63.2	-0.2	0	0	0	113.1	S415 T420	S415-N418 PolarHBondContact OG-N 3.18Å; S415-N418 VanDerWaalsContact OG-N 3.13Å; N418-T420 VanDerWaalsContact C-N 3.32Å; N418-T420 PolarHBondContact O-N 3.2Å
419	G	93.8	Very high	95.7	Very high	20 Å²	20	25.7 Å²	25.7	21%	0.206	14%	0.144	C	C	.	.			trans	81.8	2.2	179.9	0	0	0	0	0	115.7	S415 N421 L422	S415-G419 CarbonylContact O-C 3.59Å; S415-G419 VanDerWaalsContact O-CA 3.24Å; S415-G419 WeakPolarHBondContact O-CA 3.44Å; S415-G419 PolarHBondContact O-N 2.93Å; G419-N421 PolarHBondContact O-N 3.18Å; G419-L422 WeakPolarHBondContact O-CB 3.42Å; G419-L422 WeakPolarHBondContact O-CG 3.3Å; G419-L422 PolarHBondContact O-N 3.19Å
420	T	95.5	Very high	95.8	Very high	60 Å²	60	25.9 Å²	25.9	37%	0.368	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128	-178.6	-48.8	0	0	0	0	112.1	I359 V414 S415 N418 L422	I359-T420 HydrophobicContact CD1-CG2 3.95Å; V414-T420 WeakPolarHBondContact CA-O 3.17Å; S415-T420 PolarHBondContact N-O 3.26Å; N418-T420 VanDerWaalsContact C-N 3.32Å; N418-T420 PolarHBondContact O-N 3.2Å; T420-L422 PolarHBondContact O-N 2.83Å; T420-L422 VanDerWaalsContact O-N 3.13Å
421	N	95.3	Very high	95.7	Very high	45 Å²	45	26 Å²	26	24%	0.241	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	13.6	178.2	-59.9	-26	0	0	0	116	S413 V414 G419 D423 L424 L425	S413-N421 VanDerWaalsContact O-CB 3.27Å; S413-N421 WeakPolarHBondContact O-CB 3.31Å; S413-N421 PolarHBondContact O-ND2 2.82Å; V414-N421 HydrophobicContact CG1-CB 4.29Å; G419-N421 PolarHBondContact O-N 3.18Å; N421-D423 VanDerWaalsContact C-N 3.27Å; N421-D423 VanDerWaalsContact CA-OD1 3.31Å; N421-D423 WeakPolarHBondContact CA-OD1 3.3Å; N421-D423 PolarHBondContact O-N 3.33Å; N421-L424 HydrophobicContact CB-CD1 4.24Å; N421-L424 PolarHBondContact O-N 3Å; N421-L425 PolarHBondContact O-N 3.22Å
422	L	95.6	Very high	95.4	Very high	7 Å²	7	26 Å²	26	4%	0.037	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-30.7	174.6	-69.6	-177.3	0	0	0	112.1	L227 V230 L236 V414 G419 T420 L425 K426	L227-L422 HydrophobicContact CD1-CD2 3.74Å; V230-L422 HydrophobicContact CG1-CD1 3.63Å; L236-L422 HydrophobicContact CD2-CD1 3.86Å; V414-L422 HydrophobicContact CB-CD2 4.06Å; V414-L422 HydrophobicContact CG1-CD2 4.39Å; G419-L422 WeakPolarHBondContact O-CB 3.42Å; G419-L422 WeakPolarHBondContact O-CG 3.3Å; G419-L422 PolarHBondContact O-N 3.19Å; T420-L422 PolarHBondContact O-N 2.83Å; T420-L422 VanDerWaalsContact O-N 3.13Å; L422-L425 PolarHBondContact O-N 2.85Å; L422-K426 WeakPolarHBondContact O-CB 3.37Å; L422-K426 VanDerWaalsContact O-CG 3.25Å; L422-K426 WeakPolarHBondContact O-CG 3.43Å; L422-K426 PolarHBondContact O-N 2.96Å
423	D	95.5	Very high	94.9	Very high	101 Å²	101	27 Å²	27	54%	0.54	15%	0.152	S	C	.	.	H	α-helix	trans	-61.8	-47.3	172	59.5	-45.9	0	0	0	111.8	N421 L425 K426 L427	N421-D423 VanDerWaalsContact C-N 3.27Å; N421-D423 VanDerWaalsContact CA-OD1 3.31Å; N421-D423 WeakPolarHBondContact CA-OD1 3.3Å; N421-D423 PolarHBondContact O-N 3.33Å; D423-L425 VanDerWaalsContact C-N 3.32Å; D423-L425 PolarHBondContact O-N 3.31Å; D423-K426 PolarHBondContact O-N 3.2Å; D423-L427 WeakPolarHBondContact O-CB 3.21Å; D423-L427 PolarHBondContact O-N 3.48Å
424	L	96.5	Very high	94.4	Very high	9 Å²	9	26.8 Å²	26.8	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-40.9	175.4	-61.1	-178.6	0	0	0	111.7	I390 V396 N421 L427 F428	I390-L424 HydrophobicContact CG2-CB 4.43Å; I390-L424 HydrophobicContact CG2-CD1 4.22Å; V396-L424 HydrophobicContact CG2-CB 4.04Å; V396-L424 HydrophobicContact CG2-CD2 4.21Å; N421-L424 HydrophobicContact CB-CD1 4.24Å; N421-L424 PolarHBondContact O-N 3Å; L424-L427 PolarHBondContact O-N 2.81Å; L424-F428 WeakPolarHBondContact O-CB 3.26Å; L424-F428 PolarHBondContact O-N 3.25Å
425	L	96.7	Very high	93.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-43.4	175.3	-179.9	61.1	0	0	0	111.7	L227 L231 F353 V355 F412 V414 N421 L422 D423 L427 F428 L429	L227-L425 HydrophobicContact CD1-CD2 4.21Å; L227-L425 HydrophobicContact CD2-CD2 4.07Å; L231-L425 HydrophobicContact CD1-CD2 4.26Å; F353-L425 HydrophobicContact CE2-CD1 4.08Å; V355-L425 HydrophobicContact CG1-CD2 4.34Å; V355-L425 HydrophobicContact CG2-CD1 3.99Å; V355-L425 HydrophobicContact CG2-CD2 4.28Å; F412-L425 HydrophobicContact CD1-CB 4.23Å; F412-L425 HydrophobicContact CD1-CD1 4.32Å; F412-L425 HydrophobicContact CD2-CD1 4.06Å; F412-L425 HydrophobicContact CE2-CD1 4.32Å; F412-L425 HydrophobicContact CG-CD1 4.09Å; V414-L425 HydrophobicContact CG1-CD2 4.44Å; N421-L425 PolarHBondContact O-N 3.22Å; L422-L425 PolarHBondContact O-N 2.85Å; D423-L425 VanDerWaalsContact C-N 3.32Å; D423-L425 PolarHBondContact O-N 3.31Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 PolarHBondContact O-N 3.27Å; L425-F428 PolarHBondContact O-N 2.83Å; L425-L429 HydrophobicContact CD1-CD1 4.49Å; L425-L429 HydrophobicContact CD1-CG 4.39Å; L425-L429 HydrophobicContact CG-CD1 4.23Å; L425-L429 WeakPolarHBondContact O-CB 3.27Å; L425-L429 VanDerWaalsContact O-CG 3.24Å; L425-L429 WeakPolarHBondContact O-CG 3.41Å; L425-L429 PolarHBondContact O-N 2.99Å
426	K	96.4	Very high	92.8	Very high	59 Å²	59	32.1 Å²	32.1	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-61.5	-42.6	175.6	-76.2	170.4	-178	-179.5	0	111.5	L231 F269 V275 L422 D423 L429 N430	L231-K426 HydrophobicContact CD2-CG 3.96Å; F269-K426 WeakPolarHBondContact CZ-O 3.28Å; V275-K426 HydrophobicContact CG2-CD 4.18Å; L422-K426 WeakPolarHBondContact O-CB 3.37Å; L422-K426 VanDerWaalsContact O-CG 3.25Å; L422-K426 WeakPolarHBondContact O-CG 3.43Å; L422-K426 PolarHBondContact O-N 2.96Å; D423-K426 PolarHBondContact O-N 3.2Å; K426-L429 PolarHBondContact O-N 2.77Å; K426-N430 PolarHBondContact O-N 2.92Å
427	L	95.1	Very high	92	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.267	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-47.7	175.9	179.7	61.7	0	0	0	111	T393 V396 D423 L424 L425 L429 N430 L431	T393-L427 HydrophobicContact CG2-CD2 3.57Å; V396-L427 HydrophobicContact CB-CD2 4.37Å; V396-L427 HydrophobicContact CG1-CB 4.32Å; V396-L427 HydrophobicContact CG1-CD2 4.07Å; V396-L427 HydrophobicContact CG1-CG 3.93Å; D423-L427 WeakPolarHBondContact O-CB 3.21Å; D423-L427 PolarHBondContact O-N 3.48Å; L424-L427 PolarHBondContact O-N 2.81Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 PolarHBondContact O-N 3.27Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L427-L429 PolarHBondContact O-N 2.86Å; L427-N430 WeakPolarHBondContact O-CB 3.32Å; L427-N430 PolarHBondContact O-N 3.4Å; L427-N430 VanDerWaalsContact O-N 3.17Å; L427-L431 HydrophobicContact CD1-CD1 4.27Å; L427-L431 HydrophobicContact CD1-CG 4.37Å; L427-L431 HydrophobicContact CG-CD1 4.23Å; L427-L431 WeakPolarHBondContact O-CG 3.17Å; L427-L431 PolarHBondContact O-N 2.79Å; L427-L431 VanDerWaalsContact O-N 3.07Å
428	F	95.9	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-46.9	176.5	178.9	-109.6	0	0	0	112	F353 V396 C399 A400 F403 P410 F412 L424 L425 N430 L431 L432	F353-F428 HydrophobicContact CB-CE1 4.05Å; F353-F428 HydrophobicContact CB-CZ 4.31Å; F353-F428 AromaticContact CD1-CE1 3.86Å; F353-F428 HydrophobicContact CD1-CE1 3.86Å; F353-F428 HydrophobicContact CD2-CD1 4.49Å; F353-F428 HydrophobicContact CD2-CE1 4Å; F353-F428 HydrophobicContact CE1-CE1 4.25Å; F353-F428 HydrophobicContact CE2-CE1 4.38Å; F353-F428 AromaticContact CG-CE1 3.71Å; F353-F428 HydrophobicContact CG-CE1 3.71Å; F353-F428 HydrophobicContact CG-CZ 4.41Å; F353-F428 HydrophobicContact CZ-CE1 4.48Å; V396-F428 HydrophobicContact CG1-CB 3.75Å; V396-F428 HydrophobicContact CG1-CD2 4.29Å; C399-F428 HydrophobicContact CB-CE2 4.47Å; A400-F428 HydrophobicContact CB-CD2 4.28Å; A400-F428 HydrophobicContact CB-CE2 4.39Å; F403-F428 HydrophobicContact CD1-CZ 4.02Å; F403-F428 HydrophobicContact CE1-CZ 4.04Å; F403-F428 HydrophobicContact CG-CZ 4.38Å; F403-F428 HydrophobicContact CZ-CZ 4.48Å; P410-F428 HydrophobicContact CB-CE2 4.41Å; P410-F428 HydrophobicContact CB-CZ 4.33Å; P410-F428 HydrophobicContact CG-CE2 3.97Å; P410-F428 HydrophobicContact CG-CZ 3.9Å; F412-F428 HydrophobicContact CE1-CB 3.81Å; F412-F428 HydrophobicContact CE1-CG 4.2Å; F412-F428 HydrophobicContact CE2-CB 4.35Å; F412-F428 AromaticContact CE2-CD1 3.66Å; F412-F428 HydrophobicContact CE2-CD1 3.66Å; F412-F428 HydrophobicContact CE2-CD2 4.44Å; F412-F428 AromaticContact CE2-CE1 3.98Å; F412-F428 HydrophobicContact CE2-CE1 3.98Å; F412-F428 AromaticContact CE2-CG 3.91Å; F412-F428 HydrophobicContact CE2-CG 3.91Å; F412-F428 HydrophobicContact CZ-CB 3.4Å; F412-F428 VanDerWaalsContact CZ-CB 3.4Å; F412-F428 AromaticContact CZ-CD1 3.55Å; F412-F428 HydrophobicContact CZ-CD1 3.55Å; F412-F428 AromaticContact CZ-CD2 3.8Å; F412-F428 HydrophobicContact CZ-CD2 3.8Å; F412-F428 HydrophobicContact CZ-CE1 4.22Å; F412-F428 HydrophobicContact CZ-CE2 4.44Å; F412-F428 AromaticContact CZ-CG 3.29Å; F412-F428 HydrophobicContact CZ-CG 3.29Å; L424-F428 WeakPolarHBondContact O-CB 3.26Å; L424-F428 PolarHBondContact O-N 3.25Å; L425-F428 PolarHBondContact O-N 2.83Å; F428-N430 VanDerWaalsContact C-N 3.31Å; F428-N430 PolarHBondContact O-N 2.88Å; F428-L431 CarbonylContact O-C 3.6Å; F428-L431 PolarHBondContact O-N 2.84Å; F428-L432 HydrophobicContact CD1-CD1 4.43Å; F428-L432 HydrophobicContact CD1-CD2 4.43Å; F428-L432 HydrophobicContact CD1-CG 4.32Å; F428-L432 HydrophobicContact CE1-CD1 4.1Å; F428-L432 HydrophobicContact CE1-CD2 3.71Å; F428-L432 HydrophobicContact CE1-CG 4.03Å; F428-L432 HydrophobicContact CE2-CD2 4.11Å; F428-L432 HydrophobicContact CZ-CD2 3.52Å; F428-L432 HydrophobicContact CZ-CG 4.27Å; F428-L432 PolarHBondContact O-N 3.37Å; F428-L432 VanDerWaalsContact O-N 3.08Å
429	L	95.5	Very high	90.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-38.6	177.4	-70.3	171.6	0	0	0	112.3	L231 L267 F269 I297 F299 F353 L425 K426 L427 L431 L432	L231-L429 HydrophobicContact CD1-CD1 4.3Å; L267-L429 HydrophobicContact CD2-CD1 4.26Å; F269-L429 HydrophobicContact CE2-CB 4.36Å; F269-L429 HydrophobicContact CZ-CB 4.26Å; I297-L429 WeakPolarHBondContact CD1-O 3.38Å; I297-L429 HydrophobicContact CG1-CB 4.38Å; I297-L429 HydrophobicContact CG2-CD2 4.49Å; F299-L429 HydrophobicContact CE1-CD1 4.35Å; F299-L429 HydrophobicContact CE1-CD2 4.47Å; F299-L429 HydrophobicContact CZ-CD1 3.88Å; F353-L429 HydrophobicContact CZ-CD2 4.02Å; L425-L429 HydrophobicContact CD1-CD1 4.49Å; L425-L429 HydrophobicContact CD1-CG 4.39Å; L425-L429 HydrophobicContact CG-CD1 4.23Å; L425-L429 WeakPolarHBondContact O-CB 3.27Å; L425-L429 VanDerWaalsContact O-CG 3.24Å; L425-L429 WeakPolarHBondContact O-CG 3.41Å; L425-L429 PolarHBondContact O-N 2.99Å; K426-L429 PolarHBondContact O-N 2.77Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L427-L429 PolarHBondContact O-N 2.86Å; L429-L431 VanDerWaalsContact C-N 3.28Å; L429-L431 PolarHBondContact O-N 2.95Å; L429-L432 HydrophobicContact CD2-CD1 3.87Å; L429-L432 PolarHBondContact O-N 3.41Å
430	N	94.5	Very high	90.2	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-32.3	174	176.3	55.3	0	0	0	112.5	R201 F269 K295 K426 L427 F428	R201-N430 PolarHBondContact NH1-OD1 3.01Å; R201-N430 PolarHBondContact NH2-O 3.03Å; R201-N430 PolarHBondContact NH2-OD1 3.17Å; F269-N430 HydrophobicContact CD1-CB 3.9Å; F269-N430 HydrophobicContact CD2-CB 4.26Å; F269-N430 HydrophobicContact CE1-CB 3.82Å; F269-N430 HydrophobicContact CE2-CB 4.19Å; F269-N430 HydrophobicContact CG-CB 4.1Å; F269-N430 HydrophobicContact CZ-CB 3.97Å; K295-N430 WeakPolarHBondContact CD-O 3.38Å; K295-N430 WeakPolarHBondContact CE-O 3.3Å; K295-N430 PolarHBondContact NZ-O 3.39Å; K426-N430 PolarHBondContact O-N 2.92Å; L427-N430 WeakPolarHBondContact O-CB 3.32Å; L427-N430 PolarHBondContact O-N 3.4Å; L427-N430 VanDerWaalsContact O-N 3.17Å; F428-N430 VanDerWaalsContact C-N 3.31Å; F428-N430 PolarHBondContact O-N 2.88Å
431	L	93.7	Very high	89.8	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-87.7	-8.8	-179	-62.4	179.2	0	0	0	114.2	F44 L83 L199 V396 I397 A400 L427 F428 L429 P433	F44-L431 HydrophobicContact CE1-CD2 4.42Å; F44-L431 HydrophobicContact CZ-CB 4.33Å; F44-L431 WeakPolarHBondContact CZ-O 3.05Å; L83-L431 HydrophobicContact CD2-CD2 3.79Å; L199-L431 HydrophobicContact CD2-CD2 3.98Å; V396-L431 HydrophobicContact CG1-CD1 4.24Å; I397-L431 HydrophobicContact CG1-CD1 4.1Å; A400-L431 HydrophobicContact CB-CB 3.6Å; A400-L431 HydrophobicContact CB-CD1 4.08Å; L427-L431 HydrophobicContact CD1-CD1 4.27Å; L427-L431 HydrophobicContact CD1-CG 4.37Å; L427-L431 HydrophobicContact CG-CD1 4.23Å; L427-L431 WeakPolarHBondContact O-CG 3.17Å; L427-L431 PolarHBondContact O-N 2.79Å; L427-L431 VanDerWaalsContact O-N 3.07Å; F428-L431 CarbonylContact O-C 3.6Å; F428-L431 PolarHBondContact O-N 2.84Å; L429-L431 VanDerWaalsContact C-N 3.28Å; L429-L431 PolarHBondContact O-N 2.95Å; L431-P433 VanDerWaalsContact O-CD 3.31Å; L431-P433 WeakPolarHBondContact O-CD 3.39Å
432	L	92.3	Very high	89.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.			trans	-65.6	115	-179	-80.3	178.9	0	0	0	112.1	V214 K295 Y323 F353 F403 F428 L429	V214-L432 HydrophobicContact CG2-CD1 4.47Å; K295-L432 VanDerWaalsContact CE-O 3.27Å; K295-L432 WeakPolarHBondContact CE-O 3.29Å; K295-L432 PolarHBondContact NZ-O 3.04Å; Y323-L432 HydrophobicContact CD1-CD2 4.41Å; Y323-L432 HydrophobicContact CD2-CD1 4.03Å; Y323-L432 HydrophobicContact CD2-CD2 4.43Å; Y323-L432 HydrophobicContact CE1-CD2 4.14Å; Y323-L432 HydrophobicContact CE2-CB 4.04Å; Y323-L432 HydrophobicContact CE2-CD1 4.35Å; Y323-L432 HydrophobicContact CE2-CD2 4.17Å; Y323-L432 HydrophobicContact CE2-CG 4.44Å; Y323-L432 HydrophobicContact CG-CD1 4.35Å; F353-L432 HydrophobicContact CE1-CD1 4.3Å; F403-L432 HydrophobicContact CD1-CD2 3.58Å; F403-L432 HydrophobicContact CE1-CD2 3.77Å; F428-L432 HydrophobicContact CD1-CD1 4.43Å; F428-L432 HydrophobicContact CD1-CD2 4.43Å; F428-L432 HydrophobicContact CD1-CG 4.32Å; F428-L432 HydrophobicContact CE1-CD1 4.1Å; F428-L432 HydrophobicContact CE1-CD2 3.71Å; F428-L432 HydrophobicContact CE1-CG 4.03Å; F428-L432 HydrophobicContact CE2-CD2 4.11Å; F428-L432 HydrophobicContact CZ-CD2 3.52Å; F428-L432 HydrophobicContact CZ-CG 4.27Å; F428-L432 PolarHBondContact O-N 3.37Å; F428-L432 VanDerWaalsContact O-N 3.08Å; L429-L432 HydrophobicContact CD2-CD1 3.87Å; L429-L432 PolarHBondContact O-N 3.41Å
433	P	87.3	Confident	89.5	Confident	22 Å²	22	49.5 Å²	49.5	14%	0.143	25%	0.245	C	C	.	.			trans	-68.3	152.8	179.4	27.7	-32.7	0	0	0	111.1	Y323 L431	Y323-P433 WeakPolarHBondContact CE2-O 3.44Å; Y323-P433 WeakPolarHBondContact OH-CD 3.48Å; Y323-P433 WeakPolarHBondContact OH-CG 3.31Å; Y323-P433 PolarHBondContact OH-O 2.87Å; L431-P433 VanDerWaalsContact O-CD 3.31Å; L431-P433 WeakPolarHBondContact O-CD 3.39Å
434	S	85.2	Confident	89.5	Confident	15 Å²	15	45.2 Å²	45.2	11%	0.105	22%	0.224	C	C	.	.			trans	-70.3	135.3	169.2	-166.3	0	0	0	0	109.7	D211	D211-S434 PolarHBondContact O-OG 3.39Å
435	R	84.2	Confident	89.4	Confident	89 Å²	89	45.8 Å²	45.8	34%	0.336	23%	0.226	S	C	.	.			trans	-96.5	-12.1	-179.6	-63.6	-160.4	70.3	-151.3	5.8	113.6	D322 Y323 E406 E437	D322-R435 HydrophobicContact CB-CB 4.22Å; D322-R435 HydrophobicContact CB-CG 4.35Å; D322-R435 WeakPolarHBondContact O-CD 3.43Å; Y323-R435 HydrophobicContact CE1-CG 4.05Å; Y323-R435 HydrophobicContact CE2-CG 4.12Å; Y323-R435 VanDerWaalsContact OH-CG 3.31Å; Y323-R435 WeakPolarHBondContact OH-CG 3.08Å; E406-R435 IonicContact OE1-CZ 2.68Å; E406-R435 IonicContact OE1-NH1 2.85Å; E406-R435 PolarHBondContact OE1-NH1 2.82Å; E406-R435 IonicContact OE1-NH2 3.43Å; E406-R435 PolarHBondContact OE1-NH2 2.91Å; R435-E437 PolarHBondContact O-N 2.81Å
436	S	76.9	Confident	89.4	Confident	23 Å²	23	45.8 Å²	45.8	16%	0.161	23%	0.226	C	C	.	.			trans	-81.6	103.9	-173.5	-67.5	0	0	0	0	109.6	R213 D322 G507	R213-S436 PolarHBondContact NH2-OG 3.17Å; D322-S436 PolarHBondContact OD1-OG 3.29Å; S436-G507 VanDerWaalsContact CB-CA 3.46Å
437	E	78.2	Confident	89.3	Confident	139 Å²	139	43.5 Å²	43.5	65%	0.65	22%	0.216	S	C	*	.			trans	-63.5	125.2	173.3	-70.8	178.2	-168.3	0	0	110	R435 R439	R435-E437 PolarHBondContact O-N 2.81Å; E437-R439 VanDerWaalsContact C-N 3.27Å; E437-R439 HydrophobicContact CB-CG 4.16Å; E437-R439 PolarHBondContact O-N 3.02Å
438	P	75.5	Confident	89.3	Confident	15 Å²	15	41.1 Å²	41.1	10%	0.097	20%	0.203	C	C	.	.			trans	-73.2	-22.3	-171.2	33.8	-41.7	0	0	0	112.8	Q40 L440 G506	Q40-P438 VanDerWaalsContact NE2-CD 3.27Å; P438-L440 VanDerWaalsContact C-N 3.31Å; P438-L440 HydrophobicContact CB-CD2 3.81Å; P438-L440 HydrophobicContact CB-CG 3.95Å; P438-L440 HydrophobicContact CG-CD2 4.47Å; P438-L440 HydrophobicContact CG-CG 4.07Å; P438-L440 PolarHBondContact O-N 2.98Å; P438-G506 WeakPolarHBondContact CA-O 3.48Å; P438-G506 WeakPolarHBondContact CB-O 3.24Å; P438-G506 VanDerWaalsContact O-CA 3.3Å; P438-G506 WeakPolarHBondContact O-CA 3.22Å
439	R	84.7	Confident	89.2	Confident	91 Å²	91	41.4 Å²	41.4	34%	0.343	21%	0.205	S	C	.	.			trans	42.4	57.1	-179.7	-63.3	179.8	-63.7	153.2	-7.4	111.8	E437 N441 E442 L466 G468	E437-R439 VanDerWaalsContact C-N 3.27Å; E437-R439 HydrophobicContact CB-CG 4.16Å; E437-R439 PolarHBondContact O-N 3.02Å; R439-N441 PolarHBondContact O-N 3.07Å; R439-E442 HydrophobicContact CB-CB 4.31Å; R439-E442 HydrophobicContact CB-CG 4.07Å; R439-E442 WeakPolarHBondContact CD-OE1 3.45Å; R439-E442 IonicContact CZ-OE2 3.06Å; R439-E442 IonicContact NE-OE2 3.83Å; R439-E442 IonicContact NH1-OE1 3.78Å; R439-E442 IonicContact NH1-OE2 2.72Å; R439-E442 PolarHBondContact NH1-OE2 3.44Å; R439-E442 WeakPolarHBondContact O-CB 3.3Å; R439-E442 PolarHBondContact O-N 2.8Å; R439-E442 VanDerWaalsContact O-N 3.1Å; R439-L466 PolarHBondContact NE-O 3.4Å; R439-L466 PolarHBondContact NH2-O 3.33Å; R439-G468 PolarHBondContact O-N 3.17Å; R439-G468 VanDerWaalsContact O-N 3.07Å
440	L	84.2	Confident	89.1	Confident	72 Å²	72	43 Å²	43	38%	0.377	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.6	-172.3	-60.3	177.9	0	0	0	113.4	P438 E442 I469 R505	P438-L440 VanDerWaalsContact C-N 3.31Å; P438-L440 HydrophobicContact CB-CD2 3.81Å; P438-L440 HydrophobicContact CB-CG 3.95Å; P438-L440 HydrophobicContact CG-CD2 4.47Å; P438-L440 HydrophobicContact CG-CG 4.07Å; P438-L440 PolarHBondContact O-N 2.98Å; L440-E442 VanDerWaalsContact C-N 3.29Å; L440-I469 HydrophobicContact CD2-CD1 4.21Å; L440-I469 HydrophobicContact CD2-CG1 3.91Å; L440-R505 HydrophobicContact CD2-CB 3.86Å; L440-R505 HydrophobicContact CD2-CG 3.95Å
441	N	86.4	Confident	89.1	Confident	170 Å²	170	44.1 Å²	44.1	91%	0.909	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-9	178	-62.6	-27.5	0	0	0	113	R439	R439-N441 PolarHBondContact O-N 3.07Å
442	E	91.1	Very high	89	Confident	91 Å²	91	48.2 Å²	48.2	43%	0.425	24%	0.236	S	C	.	.	S	Bend	trans	-89.9	163.6	177	-66.4	-177.7	-173.2	0	0	111.4	R439 L440 S467 G468	R439-E442 HydrophobicContact CB-CB 4.31Å; R439-E442 HydrophobicContact CB-CG 4.07Å; R439-E442 WeakPolarHBondContact CD-OE1 3.45Å; R439-E442 IonicContact CZ-OE2 3.06Å; R439-E442 IonicContact NE-OE2 3.83Å; R439-E442 IonicContact NH1-OE1 3.78Å; R439-E442 IonicContact NH1-OE2 2.72Å; R439-E442 PolarHBondContact NH1-OE2 3.44Å; R439-E442 WeakPolarHBondContact O-CB 3.3Å; R439-E442 PolarHBondContact O-N 2.8Å; R439-E442 VanDerWaalsContact O-N 3.1Å; L440-E442 VanDerWaalsContact C-N 3.29Å; E442-S467 WeakPolarHBondContact OE2-CB 3.12Å; E442-G468 WeakPolarHBondContact O-CA 3.2Å
443	L	94	Very high	89	Confident	85 Å²	85	52 Å²	52	45%	0.445	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-66	149.7	176.2	-62.9	178	0	0	0	111.5	H445 S467 A530 E532	L443-H445 PolarHBondContact O-N 2.94Å; L443-S467 PolarHBondContact O-OG 2.87Å; L443-A530 HydrophobicContact CB-CB 3.98Å; L443-A530 HydrophobicContact CD2-CB 4.35Å; L443-E532 HydrophobicContact CD1-CB 4.1Å; L443-E532 HydrophobicContact CD2-CB 4.19Å
444	A	94.8	Very high	89.2	Confident	11 Å²	11	54 Å²	54	9%	0.091	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-58.6	122.4	178	0	0	0	0	0	111.4	S467 I470 L476 L529 A530	A444-S467 WeakPolarHBondContact CA-O 3.28Å; A444-I470 HydrophobicContact CB-CD1 4.38Å; A444-I470 HydrophobicContact CB-CG1 3.75Å; A444-L476 HydrophobicContact CB-CD2 4.37Å; A444-L529 WeakPolarHBondContact O-CA 3.32Å; A444-A530 HydrophobicContact CB-CB 4.2Å; A444-A530 PolarHBondContact O-N 3.04Å
445	H	94.9	Very high	89.4	Confident	20 Å²	20	62.5 Å²	62.5	9%	0.093	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	110.1	176.1	-177.6	-178.2	0	0	0	109.8	L443 L466 S467 L529 Y600 Y602	L443-H445 PolarHBondContact O-N 2.94Å; H445-L466 PolarHBondContact O-N 2.82Å; H445-S467 VanDerWaalsContact CB-OG 3.29Å; H445-S467 WeakPolarHBondContact CB-OG 3.12Å; H445-S467 PolarHBondContact N-O 3.2Å; H445-L529 HydrophobicContact CB-CD2 3.98Å; H445-L529 WeakPolarHBondContact CD2-CD2 3.36Å; H445-Y600 AromaticContact CE1-CE1 3.9Å; H445-Y600 AromaticContact NE2-CE1 3.74Å; H445-Y602 AromaticContact CE1-CD1 3.66Å; H445-Y602 AromaticContact CE1-CE1 3.75Å
446	F	96	Very high	89.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131	-179.5	178.5	-85.6	0	0	0	111.6	I448 I461 G463 T464 C465 I470 A510 F512 V527 L528	F446-I448 HydrophobicContact CD1-CG1 4.26Å; F446-I448 HydrophobicContact CE1-CG1 4.2Å; F446-I461 HydrophobicContact CE1-CD1 4.36Å; F446-G463 VanDerWaalsContact CE2-C 3.42Å; F446-G463 WeakPolarHBondContact CE2-O 3.31Å; F446-G463 VanDerWaalsContact CZ-N 3.31Å; F446-T464 VanDerWaalsContact CD2-C 3.45Å; F446-T464 WeakPolarHBondContact CD2-O 3.34Å; F446-C465 HydrophobicContact CD2-CB 3.9Å; F446-I470 HydrophobicContact CB-CD1 3.64Å; F446-I470 HydrophobicContact CD2-CD1 4.44Å; F446-I470 HydrophobicContact CG-CD1 4.3Å; F446-A510 HydrophobicContact CE2-CB 4.32Å; F446-A510 WeakPolarHBondContact CZ-O 3.37Å; F446-F512 HydrophobicContact CD1-CD2 4.13Å; F446-F512 AromaticContact CD1-CE2 3.76Å; F446-F512 HydrophobicContact CD1-CE2 3.76Å; F446-F512 AromaticContact CD2-CE2 3.52Å; F446-F512 HydrophobicContact CD2-CE2 3.52Å; F446-F512 HydrophobicContact CD2-CZ 4.19Å; F446-F512 AromaticContact CE1-CD2 3.71Å; F446-F512 HydrophobicContact CE1-CD2 3.71Å; F446-F512 AromaticContact CE1-CE2 3.63Å; F446-F512 HydrophobicContact CE1-CE2 3.63Å; F446-F512 HydrophobicContact CE2-CD2 4.14Å; F446-F512 AromaticContact CE2-CE2 3.39Å; F446-F512 HydrophobicContact CE2-CE2 3.39Å; F446-F512 HydrophobicContact CE2-CZ 4.17Å; F446-F512 HydrophobicContact CG-CD2 4.5Å; F446-F512 AromaticContact CG-CE2 3.69Å; F446-F512 HydrophobicContact CG-CE2 3.69Å; F446-F512 AromaticContact CZ-CD2 3.69Å; F446-F512 HydrophobicContact CZ-CD2 3.69Å; F446-F512 AromaticContact CZ-CE2 3.42Å; F446-F512 HydrophobicContact CZ-CE2 3.42Å; F446-F512 VanDerWaalsContact CZ-CE2 3.42Å; F446-V527 CarbonylContact O-C 3.54Å; F446-V527 VanDerWaalsContact O-CA 3.24Å; F446-V527 WeakPolarHBondContact O-CA 3.3Å; F446-V527 WeakPolarHBondContact O-CB 3.49Å; F446-L528 HydrophobicContact CB-CB 4.16Å; F446-L528 HydrophobicContact CD1-CB 4.43Å; F446-L528 HydrophobicContact CD1-CD1 4.09Å; F446-L528 HydrophobicContact CD1-CG 4.44Å; F446-L528 PolarHBondContact N-O 2.89Å; F446-L528 PolarHBondContact O-N 2.77Å
447	Q	95	Very high	90.3	Very high	12 Å²	12	64 Å²	64	6%	0.056	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.3	-170.9	174.5	164.6	63.5	0	0	111.1	G463 T464 L466 P566	Q447-G463 WeakPolarHBondContact O-CA 2.88Å; Q447-T464 PolarHBondContact N-O 3.45Å; Q447-T464 PolarHBondContact O-N 3.43Å; Q447-T464 VanDerWaalsContact O-N 3.13Å; Q447-L466 HydrophobicContact CB-CD1 4.29Å; Q447-L466 HydrophobicContact CB-CG 4.47Å; Q447-P566 HydrophobicContact CG-CG 3.39Å
448	I	95.8	Very high	90.9	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118	-171.9	-55.2	171	0	0	0	111	F446 I451 I461 S462 L478 G525 M526 P566	F446-I448 HydrophobicContact CD1-CG1 4.26Å; F446-I448 HydrophobicContact CE1-CG1 4.2Å; I448-I451 HydrophobicContact CG2-CG1 4.2Å; I448-I461 HydrophobicContact CD1-CB 4.43Å; I448-I461 HydrophobicContact CD1-CD1 3.59Å; I448-I461 HydrophobicContact CD1-CG2 4.4Å; I448-I461 HydrophobicContact CG1-CD1 3.9Å; I448-I461 HydrophobicContact CG2-CB 4.09Å; I448-I461 HydrophobicContact CG2-CG2 4.34Å; I448-S462 WeakPolarHBondContact CA-O 3.44Å; I448-L478 HydrophobicContact CD1-CD1 3.55Å; I448-G525 PolarHBondContact O-N 2.82Å; I448-G525 VanDerWaalsContact O-N 3.13Å; I448-M526 WeakPolarHBondContact CB-O 3.48Å; I448-M526 HydrophobicContact CD1-CB 4Å; I448-M526 WeakPolarHBondContact CG1-O 3.24Å; I448-M526 PolarHBondContact N-O 2.88Å; I448-P566 WeakPolarHBondContact O-CB 3.31Å; I448-P566 WeakPolarHBondContact O-CG 3.39Å
449	D	93.6	Very high	91.8	Very high	6 Å²	6	58.6 Å²	58.6	3%	0.032	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-34.9	177.8	60.4	7.4	0	0	0	112.9	F314 H319 S462 G463 K524 P566	F314-D449 HydrophobicContact CZ-CB 4.43Å; F314-D449 WeakPolarHBondContact CZ-O 3.36Å; H319-D449 IonicContact CE1-OD2 3.93Å; H319-D449 PolarHBondContact CE1-OD2 3.4Å; H319-D449 IonicContact CG-OD2 3Å; H319-D449 IonicContact ND1-OD2 2.68Å; H319-D449 PolarHBondContact ND1-OD2 3.14Å; D449-S462 PolarHBondContact N-O 2.79Å; D449-G463 VanDerWaalsContact OD1-CA 3.3Å; D449-G463 WeakPolarHBondContact OD1-CA 3.49Å; D449-G463 PolarHBondContact OD1-N 2.82Å; D449-K524 VanDerWaalsContact O-CD 3.26Å; D449-K524 WeakPolarHBondContact O-CD 3.37Å; D449-K524 VanDerWaalsContact O-CE 3.3Å; D449-K524 WeakPolarHBondContact O-CE 3.35Å; D449-K524 WeakPolarHBondContact O-CG 3.42Å; D449-K524 PolarHBondContact O-NZ 2.94Å; D449-P566 HydrophobicContact CB-CB 4.42Å; D449-P566 HydrophobicContact CB-CG 4.19Å
450	E	92.8	Very high	92.3	Very high	34 Å²	34	54.9 Å²	54.9	16%	0.159	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.8	-177.1	-53.9	-154.5	124.3	0	0	113.5	F452 S462	E450-F452 HydrophobicContact CB-CE2 3.86Å; E450-F452 HydrophobicContact CB-CZ 3.93Å; E450-F452 WeakPolarHBondContact OE2-CZ 3.36Å; E450-S462 PolarHBondContact N-O 2.57Å; E450-S462 PolarHBondContact O-N 3.48Å
451	I	94.1	Very high	92.9	Very high	29 Å²	29	51.5 Å²	51.5	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	125.7	-177.6	-54	166.5	0	0	0	107.9	I448 T459 I461 R519 V522 R523 K524	I448-I451 HydrophobicContact CG2-CG1 4.2Å; I451-T459 HydrophobicContact CG2-CG2 4.11Å; I451-I461 HydrophobicContact CG1-CG2 4.49Å; I451-R519 HydrophobicContact CG2-CG 4.33Å; I451-V522 HydrophobicContact CD1-CB 4.04Å; I451-V522 HydrophobicContact CD1-CG1 3.64Å; I451-V522 HydrophobicContact CG1-CG1 4.08Å; I451-R523 VanDerWaalsContact CD1-C 3.47Å; I451-K524 HydrophobicContact CD1-CG 4.39Å
452	F	92.4	Very high	93.3	Very high	89 Å²	89	44.4 Å²	44.4	39%	0.39	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.1	179.8	-53.3	-81	0	0	0	110.5	E450 V454 V460	E450-F452 HydrophobicContact CB-CE2 3.86Å; E450-F452 HydrophobicContact CB-CZ 3.93Å; E450-F452 WeakPolarHBondContact OE2-CZ 3.36Å; F452-V454 HydrophobicContact CB-CG2 4.33Å; F452-V460 HydrophobicContact CB-CB 4.27Å; F452-V460 PolarHBondContact N-O 3.24Å; F452-V460 PolarHBondContact O-N 3.34Å
453	S	91.8	Very high	93.5	Very high	79 Å²	79	40.1 Å²	40.1	55%	0.552	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	105.8	170.6	-172.9	0	0	0	0	107.2
454	V	90.8	Very high	93.5	Very high	64 Å²	64	36.1 Å²	36.1	39%	0.388	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.8	-175.8	-179.6	0	0	0	0	108.4	F452 G456 V457 G458 V460	F452-V454 HydrophobicContact CB-CG2 4.33Å; V454-G456 PolarHBondContact O-N 3.14Å; V454-V457 HydrophobicContact CB-CB 4.08Å; V454-V457 HydrophobicContact CB-CG2 4.48Å; V454-V457 HydrophobicContact CG1-CB 4.04Å; V454-V457 HydrophobicContact CG1-CG2 3.9Å; V454-V457 PolarHBondContact O-N 3.11Å; V454-G458 PolarHBondContact N-O 3.49Å; V454-G458 PolarHBondContact O-N 3.04Å; V454-V460 HydrophobicContact CB-CG2 4.26Å; V454-V460 HydrophobicContact CG2-CB 4.37Å; V454-V460 HydrophobicContact CG2-CG2 3.86Å
455	Q	90.6	Very high	93.4	Very high	194 Å²	194	35.6 Å²	35.6	91%	0.907	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	135.1	178.3	-61.4	-176.2	18.4	0	0	109.8	V457	Q455-V457 PolarHBondContact O-N 3.07Å
456	G	88.6	Confident	93.3	Very high	84 Å²	84	35.9 Å²	35.9	87%	0.866	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	-30.8	-176.9	0	0	0	0	0	115.8	V454	V454-G456 PolarHBondContact O-N 3.14Å
457	V	90	Very high	93.2	Very high	59 Å²	59	36.1 Å²	36.1	36%	0.358	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-42	-179.7	-177.9	0	0	0	0	112	V454 Q455 V460 A513	V454-V457 HydrophobicContact CB-CB 4.08Å; V454-V457 HydrophobicContact CB-CG2 4.48Å; V454-V457 HydrophobicContact CG1-CB 4.04Å; V454-V457 HydrophobicContact CG1-CG2 3.9Å; V454-V457 PolarHBondContact O-N 3.11Å; Q455-V457 PolarHBondContact O-N 3.07Å; V457-V460 HydrophobicContact CG1-CG2 3.92Å; V457-A513 HydrophobicContact CG1-CB 3.54Å
458	G	91.5	Very high	93	Very high	34 Å²	34	35.6 Å²	35.6	35%	0.351	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	106.5	-143.7	-177	0	0	0	0	0	113.3	V454	V454-G458 PolarHBondContact N-O 3.49Å; V454-G458 PolarHBondContact O-N 3.04Å
459	T	94.9	Very high	93	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.7	178.4	-52.7	0	0	0	0	109.6	I451 L514 L517 R519 V522	I451-T459 HydrophobicContact CG2-CG2 4.11Å; T459-L514 PolarHBondContact O-N 3.21Å; T459-L514 VanDerWaalsContact O-N 3.17Å; T459-L517 WeakPolarHBondContact CB-O 3.28Å; T459-L517 PolarHBondContact OG1-O 2.86Å; T459-R519 PolarHBondContact OG1-N 3.21Å; T459-R519 VanDerWaalsContact OG1-N 3.16Å; T459-V522 HydrophobicContact CG2-CG2 4.2Å
460	V	95.6	Very high	93.1	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.085	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.2	174.8	177.9	0	0	0	0	108	F452 V454 V457 F512 A513	F452-V460 HydrophobicContact CB-CB 4.27Å; F452-V460 PolarHBondContact N-O 3.24Å; F452-V460 PolarHBondContact O-N 3.34Å; V454-V460 HydrophobicContact CB-CG2 4.26Å; V454-V460 HydrophobicContact CG2-CB 4.37Å; V454-V460 HydrophobicContact CG2-CG2 3.86Å; V457-V460 HydrophobicContact CG1-CG2 3.92Å; V460-F512 CarbonylContact C-O 3.6Å; V460-F512 VanDerWaalsContact CA-O 3.29Å; V460-F512 WeakPolarHBondContact CA-O 3.36Å; V460-A513 HydrophobicContact CG2-CB 4.28Å
461	I	96.2	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.6	173.9	58.1	164.8	0	0	0	109	F446 I448 I451 S511 F512 L514 V522 L528	F446-I461 HydrophobicContact CE1-CD1 4.36Å; I448-I461 HydrophobicContact CD1-CB 4.43Å; I448-I461 HydrophobicContact CD1-CD1 3.59Å; I448-I461 HydrophobicContact CD1-CG2 4.4Å; I448-I461 HydrophobicContact CG1-CD1 3.9Å; I448-I461 HydrophobicContact CG2-CB 4.09Å; I448-I461 HydrophobicContact CG2-CG2 4.34Å; I451-I461 HydrophobicContact CG1-CG2 4.49Å; I461-S511 CarbonylContact O-C 3.5Å; I461-S511 WeakPolarHBondContact O-CA 3.43Å; I461-F512 HydrophobicContact CD1-CB 4.38Å; I461-F512 HydrophobicContact CD1-CD2 4.27Å; I461-F512 HydrophobicContact CG1-CB 3.91Å; I461-F512 HydrophobicContact CG1-CD2 4.36Å; I461-F512 PolarHBondContact N-O 3.34Å; I461-F512 PolarHBondContact O-N 3.41Å; I461-L514 HydrophobicContact CD1-CD1 3.81Å; I461-L514 HydrophobicContact CD1-CD2 4.14Å; I461-L514 HydrophobicContact CD1-CG 4.26Å; I461-L514 HydrophobicContact CG1-CD1 3.96Å; I461-L514 HydrophobicContact CG1-CD2 4.35Å; I461-L514 HydrophobicContact CG1-CG 4.13Å; I461-L514 HydrophobicContact CG2-CD1 3.89Å; I461-V522 HydrophobicContact CG2-CG1 3.82Å; I461-L528 HydrophobicContact CD1-CD1 3.51Å; I461-L528 HydrophobicContact CD1-CD2 4.47Å; I461-L528 HydrophobicContact CD1-CG 3.94Å
462	S	95.1	Very high	93.3	Very high	21 Å²	21	43.9 Å²	43.9	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.9	172.6	-176	0	0	0	0	109.6	I448 D449 E450 A510 S511	I448-S462 WeakPolarHBondContact CA-O 3.44Å; D449-S462 PolarHBondContact N-O 2.79Å; E450-S462 PolarHBondContact N-O 2.57Å; E450-S462 PolarHBondContact O-N 3.48Å; S462-A510 WeakPolarHBondContact CA-O 3.31Å; S462-A510 PolarHBondContact OG-O 3.14Å; S462-S511 WeakPolarHBondContact CB-OG 3.48Å; S462-S511 PolarHBondContact OG-OG 3.03Å
463	G	94.5	Very high	93.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-172.1	-173.1	0	0	0	0	0	113.7	F446 Q447 D449 T509 A510	F446-G463 VanDerWaalsContact CE2-C 3.42Å; F446-G463 WeakPolarHBondContact CE2-O 3.31Å; F446-G463 VanDerWaalsContact CZ-N 3.31Å; Q447-G463 WeakPolarHBondContact O-CA 2.88Å; D449-G463 VanDerWaalsContact OD1-CA 3.3Å; D449-G463 WeakPolarHBondContact OD1-CA 3.49Å; D449-G463 PolarHBondContact OD1-N 2.82Å; G463-T509 WeakPolarHBondContact O-CA 3.37Å; G463-A510 PolarHBondContact N-O 3.48Å; G463-A510 VanDerWaalsContact N-O 3.12Å; G463-A510 PolarHBondContact O-N 3.39Å; G463-A510 VanDerWaalsContact O-N 3.09Å
464	T	93.8	Very high	93.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.8	177.6	-56.2	0	0	0	0	109.6	R213 F446 Q447 L466	R213-T464 PolarHBondContact NH1-OG1 2.93Å; F446-T464 VanDerWaalsContact CD2-C 3.45Å; F446-T464 WeakPolarHBondContact CD2-O 3.34Å; Q447-T464 PolarHBondContact N-O 3.45Å; Q447-T464 PolarHBondContact O-N 3.43Å; Q447-T464 VanDerWaalsContact O-N 3.13Å; T464-L466 HydrophobicContact CG2-CD2 4.16Å
465	C	94.4	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.1	166.9	-162.7	0	0	0	0	108.2	F446 S467 V504 R505 G506 G507 Q508	F446-C465 HydrophobicContact CD2-CB 3.9Å; C465-S467 PolarHBondContact SG-O 3.25Å; C465-V504 HydrophobicContact CB-CG2 4.36Å; C465-R505 WeakPolarHBondContact CB-O 3.09Å; C465-G506 CarbonylContact O-C 3.46Å; C465-G507 WeakPolarHBondContact O-CA 3.2Å; C465-G507 PolarHBondContact O-N 2.94Å; C465-Q508 PolarHBondContact N-O 3.2Å
466	L	92	Very high	94.1	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.136	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-32.1	-179.5	-62.4	-178.8	0	0	0	112.3	R439 H445 Q447 T464 Y602	R439-L466 PolarHBondContact NE-O 3.4Å; R439-L466 PolarHBondContact NH2-O 3.33Å; H445-L466 PolarHBondContact O-N 2.82Å; Q447-L466 HydrophobicContact CB-CD1 4.29Å; Q447-L466 HydrophobicContact CB-CG 4.47Å; T464-L466 HydrophobicContact CG2-CD2 4.16Å; L466-Y602 HydrophobicContact CD1-CE1 4.16Å
467	S	93.1	Very high	94.5	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	158.8	-177.9	61	0	0	0	0	111.5	E442 L443 A444 H445 C465	E442-S467 WeakPolarHBondContact OE2-CB 3.12Å; L443-S467 PolarHBondContact O-OG 2.87Å; A444-S467 WeakPolarHBondContact CA-O 3.28Å; H445-S467 VanDerWaalsContact CB-OG 3.29Å; H445-S467 WeakPolarHBondContact CB-OG 3.12Å; H445-S467 PolarHBondContact N-O 3.2Å; C465-S467 PolarHBondContact SG-O 3.25Å
468	G	92.2	Very high	94.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	74.2	-165.6	176.5	0	0	0	0	0	114.5	R439 E442 R505 G506	R439-G468 PolarHBondContact O-N 3.17Å; R439-G468 VanDerWaalsContact O-N 3.07Å; E442-G468 WeakPolarHBondContact O-CA 3.2Å; G468-R505 CarbonylContact O-C 3.24Å; G468-G506 PolarHBondContact O-N 3.04Å
469	I	94	Very high	94.9	Very high	65 Å²	65	30.5 Å²	30.5	33%	0.333	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.4	-178.2	-56.1	175.8	0	0	0	108.4	L440 K471 Y503 V504 R505	L440-I469 HydrophobicContact CD2-CD1 4.21Å; L440-I469 HydrophobicContact CD2-CG1 3.91Å; I469-K471 HydrophobicContact CG2-CG 4.15Å; I469-Y503 HydrophobicContact CG2-CD2 4.4Å; I469-V504 WeakPolarHBondContact CA-O 3.5Å; I469-R505 HydrophobicContact CG1-CG 4.44Å
470	I	96	Very high	95	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.3	174.1	-60.5	168.8	0	0	0	108.3	A444 F446 L476 I491 Y503 V504 F512	A444-I470 HydrophobicContact CB-CD1 4.38Å; A444-I470 HydrophobicContact CB-CG1 3.75Å; F446-I470 HydrophobicContact CB-CD1 3.64Å; F446-I470 HydrophobicContact CD2-CD1 4.44Å; F446-I470 HydrophobicContact CG-CD1 4.3Å; I470-L476 HydrophobicContact CB-CD1 4.49Å; I470-L476 HydrophobicContact CD1-CD1 3.83Å; I470-L476 HydrophobicContact CG1-CD1 3.93Å; I470-L476 HydrophobicContact CG2-CD1 3.77Å; I470-I491 HydrophobicContact CG2-CG1 4.3Å; I470-Y503 CarbonylContact O-C 3.52Å; I470-Y503 WeakPolarHBondContact O-CA 3.37Å; I470-V504 HydrophobicContact CB-CG1 3.83Å; I470-V504 PolarHBondContact N-O 3.48Å; I470-V504 PolarHBondContact O-N 2.98Å; I470-F512 HydrophobicContact CB-CZ 4.18Å; I470-F512 HydrophobicContact CD1-CE2 4.26Å; I470-F512 HydrophobicContact CD1-CZ 3.92Å; I470-F512 HydrophobicContact CG2-CE1 3.84Å; I470-F512 HydrophobicContact CG2-CZ 3.82Å
471	K	96.1	Very high	94.8	Very high	118 Å²	118	31.2 Å²	31.2	51%	0.513	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	161.6	-179	-58.2	-179.7	-178.8	176.1	0	111.6	I469 D474 N502	I469-K471 HydrophobicContact CG2-CG 4.15Å; K471-D474 PolarHBondContact N-OD2 2.98Å; K471-D474 WeakPolarHBondContact O-CB 3.39Å; K471-D474 PolarHBondContact O-N 3.09Å; K471-N502 WeakPolarHBondContact CA-O 3.3Å
472	L	95.7	Very high	94.4	Very high	59 Å²	59	37 Å²	37	31%	0.309	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	137.8	174.1	-160	159.8	0	0	0	109.6	D474 I494 N502	L472-D474 VanDerWaalsContact C-N 3.27Å; L472-D474 PolarHBondContact O-N 3.36Å; L472-I494 HydrophobicContact CB-CD1 4.45Å; L472-N502 PolarHBondContact N-O 3.01Å
473	N	95	Very high	94.1	Very high	121 Å²	121	38.7 Å²	38.7	65%	0.647	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	1.9	-174.1	-56.4	-49.5	0	0	0	116.5	I491	N473-I491 WeakPolarHBondContact CA-O 3.37Å; N473-I491 PolarHBondContact N-O 3.37Å; N473-I491 VanDerWaalsContact N-O 3.14Å
474	D	95.5	Very high	93.9	Very high	52 Å²	52	39.2 Å²	39.2	28%	0.278	21%	0.209	S	C	.	.			trans	-60.8	147.4	173.2	-75	-5.4	0	0	0	111.5	K471 L472 S490 I491	K471-D474 PolarHBondContact N-OD2 2.98Å; K471-D474 WeakPolarHBondContact O-CB 3.39Å; K471-D474 PolarHBondContact O-N 3.09Å; L472-D474 VanDerWaalsContact C-N 3.27Å; L472-D474 PolarHBondContact O-N 3.36Å; D474-S490 WeakPolarHBondContact O-CA 3.45Å; D474-I491 PolarHBondContact O-N 2.98Å
475	I	96.2	Very high	93.8	Very high	105 Å²	105	44.8 Å²	44.8	54%	0.538	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.7	173.4	-61.1	167.9	0	0	0	107.8	P488 I489 P531	I475-P488 HydrophobicContact CG2-CB 4.04Å; I475-I489 CarbonylContact C-O 3.43Å; I475-I489 WeakPolarHBondContact CA-O 3.39Å; I475-P531 WeakPolarHBondContact O-CG 3.47Å
476	L	96.3	Very high	93.8	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	161.8	179.5	-62.4	177.4	0	0	0	110.6	A444 I470 P488 I489 I491 L528	A444-L476 HydrophobicContact CB-CD2 4.37Å; I470-L476 HydrophobicContact CB-CD1 4.49Å; I470-L476 HydrophobicContact CD1-CD1 3.83Å; I470-L476 HydrophobicContact CG1-CD1 3.93Å; I470-L476 HydrophobicContact CG2-CD1 3.77Å; L476-P488 CarbonylContact O-C 3.59Å; L476-P488 WeakPolarHBondContact O-CA 3.32Å; L476-I489 PolarHBondContact N-O 3.32Å; L476-I489 WeakPolarHBondContact O-CG2 3.44Å; L476-I489 PolarHBondContact O-N 3.45Å; L476-I491 HydrophobicContact CD1-CD1 4.39Å; L476-I491 HydrophobicContact CD1-CG1 4.39Å; L476-L528 HydrophobicContact CB-CB 4.35Å; L476-L528 HydrophobicContact CB-CD2 4.3Å; L476-L528 HydrophobicContact CD1-CB 4.01Å; L476-L528 HydrophobicContact CD1-CD1 4.2Å
477	L	96.6	Very high	93.9	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.157	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.7	173.8	-69.2	-177.6	0	0	0	110.3	F486 P488 L528 L529 P531 P535	L477-F486 HydrophobicContact CB-CB 4.15Å; L477-P488 HydrophobicContact CD2-CB 4.28Å; L477-L528 WeakPolarHBondContact O-CA 3.37Å; L477-L529 PolarHBondContact N-O 2.89Å; L477-L529 PolarHBondContact O-N 3.16Å; L477-P531 HydrophobicContact CG-CB 4.42Å; L477-P531 HydrophobicContact CG-CG 4.49Å; L477-P535 HydrophobicContact CD1-CG 4.06Å
478	L	96.3	Very high	94.1	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.1	174.8	177.6	66.7	0	0	0	110.6	I448 F486 N487 I489 L514 L517 V522 M526 V527 L528	I448-L478 HydrophobicContact CD1-CD1 3.55Å; L478-F486 CarbonylContact O-C 3.59Å; L478-F486 WeakPolarHBondContact O-CA 3.24Å; L478-N487 PolarHBondContact N-O 3.47Å; L478-N487 PolarHBondContact O-N 3.15Å; L478-I489 HydrophobicContact CB-CB 4.38Å; L478-I489 HydrophobicContact CB-CG2 3.78Å; L478-L514 HydrophobicContact CD2-CD1 4.25Å; L478-L517 HydrophobicContact CD2-CD2 3.44Å; L478-L517 VanDerWaalsContact CD2-CD2 3.44Å; L478-V522 HydrophobicContact CD2-CG2 4.25Å; L478-M526 HydrophobicContact CD1-CB 4.31Å; L478-M526 HydrophobicContact CD1-CE 4.09Å; L478-M526 HydrophobicContact CD2-CE 4.38Å; L478-M526 HydrophobicContact CG-CE 3.78Å; L478-V527 WeakPolarHBondContact CA-O 3.11Å; L478-L528 HydrophobicContact CB-CD2 3.8Å; L478-L528 HydrophobicContact CD1-CD2 3.75Å; L478-L528 HydrophobicContact CD1-CG 4.38Å; L478-L528 HydrophobicContact CG-CD2 4.32Å
479	G	94.3	Very high	94.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-176.3	178.2	0	0	0	0	0	113.2	F486 M526 V527	G479-F486 VanDerWaalsContact C-CE1 3.45Å; G479-M526 CarbonylContact O-C 3.57Å; G479-M526 WeakPolarHBondContact O-CA 3.42Å; G479-M526 WeakPolarHBondContact O-CB 3.38Å; G479-V527 PolarHBondContact N-O 3.11Å; G479-V527 VanDerWaalsContact N-O 3.1Å; G479-V527 WeakPolarHBondContact O-CG2 3.39Å; G479-V527 PolarHBondContact O-N 2.92Å
480	P	95	Very high	94.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.			cis	-80.8	137.1	-5.5	29.8	-27.9	0	0	0	110.9	Q485 F486 R523 A537 P598	P480-Q485 WeakPolarHBondContact CA-O 3.38Å; P480-F486 HydrophobicContact CB-CE2 4.19Å; P480-F486 HydrophobicContact CB-CZ 4.09Å; P480-F486 HydrophobicContact CG-CZ 4.49Å; P480-R523 PolarHBondContact O-NH2 3.14Å; P480-A537 HydrophobicContact CB-CB 3.78Å; P480-A537 HydrophobicContact CG-CB 4.26Å; P480-P598 WeakPolarHBondContact CG-O 3.13Å
481	D	91.9	Very high	94.3	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.193	28%	0.281	C	S	.	.			trans	-68.2	-177.4	165.9	69.9	17.9	0	0	0	111.4	S483 G484 Q485 N487	D481-S483 VanDerWaalsContact CG-OG 3.32Å; D481-S483 PolarHBondContact O-N 2.76Å; D481-S483 VanDerWaalsContact O-N 3.13Å; D481-S483 VanDerWaalsContact OD1-CA 3.27Å; D481-S483 WeakPolarHBondContact OD1-CA 3.31Å; D481-S483 WeakPolarHBondContact OD1-CB 3.45Å; D481-S483 PolarHBondContact OD1-N 2.81Å; D481-S483 PolarHBondContact OD1-OG 2.86Å; D481-S483 PolarHBondContact OD2-OG 2.84Å; D481-G484 PolarHBondContact O-N 2.88Å; D481-G484 PolarHBondContact OD1-N 2.78Å; D481-Q485 PolarHBondContact N-O 3.12Å; D481-Q485 PolarHBondContact OD1-N 3.47Å; D481-N487 PolarHBondContact OD2-ND2 3.39Å
482	L	89	Confident	94.2	Very high	122 Å²	122	52 Å²	52	64%	0.639	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.8	180	-65	174.7	0	0	0	113.6
483	S	87.5	Confident	94.2	Very high	55 Å²	55	51 Å²	51	39%	0.385	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2	176.9	74.5	0	0	0	0	113.4	D481 Q485 Y626	D481-S483 VanDerWaalsContact CG-OG 3.32Å; D481-S483 PolarHBondContact O-N 2.76Å; D481-S483 VanDerWaalsContact O-N 3.13Å; D481-S483 VanDerWaalsContact OD1-CA 3.27Å; D481-S483 WeakPolarHBondContact OD1-CA 3.31Å; D481-S483 WeakPolarHBondContact OD1-CB 3.45Å; D481-S483 PolarHBondContact OD1-N 2.81Å; D481-S483 PolarHBondContact OD1-OG 2.86Å; D481-S483 PolarHBondContact OD2-OG 2.84Å; S483-Q485 VanDerWaalsContact C-N 3.34Å; S483-Q485 WeakPolarHBondContact OG-CG 3.14Å; S483-Y626 WeakPolarHBondContact O-CE1 3.46Å
484	G	90.5	Very high	94.2	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	25%	0.248	C	C	.	.	S	Bend	trans	83.1	8.6	-177.7	0	0	0	0	0	114.2	D481 P598	D481-G484 PolarHBondContact O-N 2.88Å; D481-G484 PolarHBondContact OD1-N 2.78Å; G484-P598 VanDerWaalsContact CA-CG 3.49Å
485	Q	92.4	Very high	94.2	Very high	120 Å²	120	46.5 Å²	46.5	56%	0.561	25%	0.251	S	S	*	.			trans	-90.4	157.8	-179.2	-63.9	-176.1	8.2	0	0	111.9	P480 D481 S483	P480-Q485 WeakPolarHBondContact CA-O 3.38Å; D481-Q485 PolarHBondContact N-O 3.12Å; D481-Q485 PolarHBondContact OD1-N 3.47Å; S483-Q485 VanDerWaalsContact C-N 3.34Å; S483-Q485 WeakPolarHBondContact OG-CG 3.14Å
486	F	94.6	Very high	94.1	Very high	31 Å²	31	41.7 Å²	41.7	14%	0.136	23%	0.226	C	C	.	.			trans	-118.1	124.3	176.9	-68.4	-101.7	0	0	0	109.1	L477 L478 G479 P480 V527 L529 P535 A537 Y600	L477-F486 HydrophobicContact CB-CB 4.15Å; L478-F486 CarbonylContact O-C 3.59Å; L478-F486 WeakPolarHBondContact O-CA 3.24Å; G479-F486 VanDerWaalsContact C-CE1 3.45Å; P480-F486 HydrophobicContact CB-CE2 4.19Å; P480-F486 HydrophobicContact CB-CZ 4.09Å; P480-F486 HydrophobicContact CG-CZ 4.49Å; F486-V527 HydrophobicContact CE1-CG2 4Å; F486-L529 HydrophobicContact CE1-CD1 3.94Å; F486-P535 HydrophobicContact CB-CG 4.33Å; F486-P535 HydrophobicContact CD1-CB 4.24Å; F486-P535 HydrophobicContact CD1-CG 3.63Å; F486-P535 HydrophobicContact CD2-CB 4.36Å; F486-P535 HydrophobicContact CD2-CG 3.89Å; F486-P535 HydrophobicContact CE1-CB 3.91Å; F486-P535 HydrophobicContact CE1-CG 3.84Å; F486-P535 HydrophobicContact CE2-CB 4.04Å; F486-P535 HydrophobicContact CE2-CG 4.08Å; F486-P535 HydrophobicContact CG-CB 4.48Å; F486-P535 HydrophobicContact CG-CG 3.69Å; F486-P535 HydrophobicContact CZ-CB 3.81Å; F486-P535 HydrophobicContact CZ-CG 4.06Å; F486-A537 HydrophobicContact CE2-CB 4.31Å; F486-Y600 HydrophobicContact CE1-CD2 4.37Å; F486-Y600 AromaticContact CZ-CD2 3.83Å; F486-Y600 HydrophobicContact CZ-CD2 3.83Å; F486-Y600 HydrophobicContact CZ-CG 4.31Å
487	N	94.3	Very high	93.8	Very high	76 Å²	76	42.4 Å²	42.4	41%	0.406	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.7	-174.3	-65	-60.8	0	0	0	110.4	L478 D481 I489	L478-N487 PolarHBondContact N-O 3.47Å; L478-N487 PolarHBondContact O-N 3.15Å; D481-N487 PolarHBondContact OD2-ND2 3.39Å; N487-I489 PolarHBondContact O-N 3.18Å
488	P	95.7	Very high	93.5	Very high	94 Å²	94	48.1 Å²	48.1	61%	0.61	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.2	176.9	27.5	-33.6	0	0	0	110.9	I475 L476 L477	I475-P488 HydrophobicContact CG2-CB 4.04Å; L476-P488 CarbonylContact O-C 3.59Å; L476-P488 WeakPolarHBondContact O-CA 3.32Å; L477-P488 HydrophobicContact CD2-CB 4.28Å
489	I	95.3	Very high	93.3	Very high	15 Å²	15	48.4 Å²	48.4	8%	0.077	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.4	179.8	-166.9	62.5	0	0	0	110.2	I475 L476 L478 N487 L514 K515 L517 L528	I475-I489 CarbonylContact C-O 3.43Å; I475-I489 WeakPolarHBondContact CA-O 3.39Å; L476-I489 PolarHBondContact N-O 3.32Å; L476-I489 WeakPolarHBondContact O-CG2 3.44Å; L476-I489 PolarHBondContact O-N 3.45Å; L478-I489 HydrophobicContact CB-CB 4.38Å; L478-I489 HydrophobicContact CB-CG2 3.78Å; N487-I489 PolarHBondContact O-N 3.18Å; I489-L514 HydrophobicContact CD1-CB 4.32Å; I489-L514 HydrophobicContact CG1-CB 3.99Å; I489-L514 HydrophobicContact CG1-CD1 4.39Å; I489-L514 HydrophobicContact CG1-CD2 4.04Å; I489-L514 HydrophobicContact CG1-CG 4.36Å; I489-L514 HydrophobicContact CG2-CD2 4.41Å; I489-K515 WeakPolarHBondContact CD1-O 3.39Å; I489-L517 HydrophobicContact CD1-CB 4.27Å; I489-L528 HydrophobicContact CG2-CD2 3.59Å
490	S	95.1	Very high	93.2	Very high	36 Å²	36	52.3 Å²	52.3	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.1	175.4	40.5	0	0	0	0	111.4	D474 K515	D474-S490 WeakPolarHBondContact O-CA 3.45Å; S490-K515 PolarHBondContact O-N 3.01Å; S490-K515 WeakPolarHBondContact OG-CB 3.44Å; S490-K515 WeakPolarHBondContact OG-CD 3.49Å
491	I	96	Very high	93.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.1	175.4	-54.6	-55.3	0	0	0	109.7	I470 N473 D474 L476 I494 F512 L514 L528	I470-I491 HydrophobicContact CG2-CG1 4.3Å; N473-I491 WeakPolarHBondContact CA-O 3.37Å; N473-I491 PolarHBondContact N-O 3.37Å; N473-I491 VanDerWaalsContact N-O 3.14Å; D474-I491 PolarHBondContact O-N 2.98Å; L476-I491 HydrophobicContact CD1-CD1 4.39Å; L476-I491 HydrophobicContact CD1-CG1 4.39Å; I491-I494 HydrophobicContact CG2-CD1 4.3Å; I491-I494 HydrophobicContact CG2-CG1 3.75Å; I491-F512 HydrophobicContact CD1-CB 4.23Å; I491-F512 HydrophobicContact CD1-CD1 4.29Å; I491-F512 HydrophobicContact CD1-CG 4.21Å; I491-F512 HydrophobicContact CG2-CD1 3.71Å; I491-F512 HydrophobicContact CG2-CE1 4.32Å; I491-F512 HydrophobicContact CG2-CG 4.46Å; I491-L514 HydrophobicContact CD1-CD2 3.7Å; I491-L528 HydrophobicContact CD1-CD1 4.01Å
492	K	94.8	Very high	93.3	Very high	114 Å²	114	55.9 Å²	55.9	50%	0.496	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-42.1	179.7	-177.7	-174.8	174.7	-173.2	0	112.2	A513	K492-A513 HydrophobicContact CB-CB 4.22Å; K492-A513 WeakPolarHBondContact CB-O 3.45Å; K492-A513 PolarHBondContact N-O 2.91Å
493	S	95.4	Very high	93.5	Very high	38 Å²	38	54.3 Å²	54.3	27%	0.266	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	152.6	179.1	65.4	0	0	0	0	110.1	F512 A513	S493-F512 WeakPolarHBondContact O-CA 3.35Å; S493-A513 PolarHBondContact O-N 3.44Å; S493-A513 WeakPolarHBondContact OG-CB 3.33Å
494	I	96.3	Very high	93.8	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.4	178.2	-45.7	-179.7	0	0	0	108.1	L472 I491 V501 A510 F512	L472-I494 HydrophobicContact CB-CD1 4.45Å; I491-I494 HydrophobicContact CG2-CD1 4.3Å; I491-I494 HydrophobicContact CG2-CG1 3.75Å; I494-V501 HydrophobicContact CB-CG2 3.99Å; I494-V501 WeakPolarHBondContact CB-O 3.34Å; I494-V501 HydrophobicContact CG2-CG2 3.59Å; I494-V501 PolarHBondContact O-N 2.94Å; I494-V501 VanDerWaalsContact O-N 3.09Å; I494-A510 HydrophobicContact CG2-CB 4.22Å; I494-F512 HydrophobicContact CB-CD1 4.17Å; I494-F512 HydrophobicContact CB-CE1 4.15Å; I494-F512 HydrophobicContact CD1-CD1 4.41Å; I494-F512 HydrophobicContact CD1-CE1 3.89Å; I494-F512 HydrophobicContact CG1-CD1 3.77Å; I494-F512 HydrophobicContact CG1-CE1 3.72Å; I494-F512 HydrophobicContact CG2-CD1 3.92Å; I494-F512 HydrophobicContact CG2-CE1 3.57Å
495	Q	94.8	Very high	93.8	Very high	74 Å²	74	54.1 Å²	54.1	35%	0.346	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.1	173.3	-67.3	-176.5	-12.4	0	0	110.8	L499 A510 S511	Q495-L499 CarbonylContact C-O 3.57Å; Q495-L499 WeakPolarHBondContact CA-O 3.41Å; Q495-A510 CarbonylContact O-C 3.51Å; Q495-A510 WeakPolarHBondContact O-CA 3.34Å; Q495-S511 PolarHBondContact N-O 2.94Å; Q495-S511 PolarHBondContact O-N 3.39Å
496	R	93.6	Very high	93.7	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.3	169.7	-68.6	179	61.6	-154.2	0.3	107.6	D208 F209 R498 L499 V501 A510	D208-R496 IonicContact OD1-CZ 3.29Å; D208-R496 IonicContact OD1-NH1 2.78Å; D208-R496 PolarHBondContact OD1-NH1 2.83Å; D208-R496 IonicContact OD1-NH2 2.72Å; F209-R496 HydrophobicContact CE1-CB 4.44Å; F209-R496 HydrophobicContact CZ-CB 4.14Å; F209-R496 PolarHBondContact O-NH2 3.23Å; R496-R498 VanDerWaalsContact C-N 3.25Å; R496-R498 PolarHBondContact O-N 3.24Å; R496-R498 VanDerWaalsContact O-N 3.17Å; R496-L499 PolarHBondContact N-O 3.43Å; R496-L499 VanDerWaalsContact O-CB 3.24Å; R496-L499 WeakPolarHBondContact O-CB 3.46Å; R496-L499 PolarHBondContact O-N 3.17Å; R496-V501 HydrophobicContact CB-CG1 4.44Å; R496-V501 HydrophobicContact CG-CG1 4.35Å; R496-V501 HydrophobicContact CG-CG2 3.84Å; R496-A510 HydrophobicContact CG-CB 4.26Å
497	K	90.5	Very high	93.4	Very high	22 Å²	22	47.3 Å²	47.3	10%	0.096	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	39.8	179.5	-60.2	174.2	170.2	-72.3	0	114.5	F209 I266 W286 V296 T298 L499	F209-K497 HydrophobicContact CE2-CD 3.87Å; F209-K497 HydrophobicContact CZ-CD 3.78Å; F209-K497 HydrophobicContact CZ-CG 4.37Å; I266-K497 HydrophobicContact CG2-CD 4.25Å; W286-K497 HydrophobicContact CE3-CB 4.3Å; V296-K497 HydrophobicContact CG1-CD 4.01Å; T298-K497 WeakPolarHBondContact OG1-CE 3.28Å; T298-K497 PolarHBondContact OG1-NZ 3.33Å; K497-L499 VanDerWaalsContact C-N 3.25Å; K497-L499 PolarHBondContact O-N 3.24Å
498	R	90.1	Very high	93.3	Very high	150 Å²	150	44.1 Å²	44.1	57%	0.566	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	-5.4	-176	-45.5	-179.8	-173.6	169.3	1.3	115.5	R496	R496-R498 VanDerWaalsContact C-N 3.25Å; R496-R498 PolarHBondContact O-N 3.24Å; R496-R498 VanDerWaalsContact O-N 3.17Å
499	L	91.4	Very high	93.1	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.068	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.7	166.8	-173.6	58.5	0	0	0	109.5	F209 C290 E291 Q495 R496 K497 V501	F209-L499 HydrophobicContact CD1-CD2 4.36Å; F209-L499 HydrophobicContact CE1-CD2 4.05Å; C290-L499 HydrophobicContact CB-CB 4.41Å; C290-L499 HydrophobicContact CB-CD2 4.12Å; E291-L499 HydrophobicContact CG-CD1 3.58Å; E291-L499 HydrophobicContact CG-CD2 4.5Å; Q495-L499 CarbonylContact C-O 3.57Å; Q495-L499 WeakPolarHBondContact CA-O 3.41Å; R496-L499 PolarHBondContact N-O 3.43Å; R496-L499 VanDerWaalsContact O-CB 3.24Å; R496-L499 WeakPolarHBondContact O-CB 3.46Å; R496-L499 PolarHBondContact O-N 3.17Å; K497-L499 VanDerWaalsContact C-N 3.25Å; K497-L499 PolarHBondContact O-N 3.24Å; L499-V501 HydrophobicContact CG-CG1 4.46Å
500	S	93.5	Very high	93.1	Very high	82 Å²	82	40.2 Å²	40.2	57%	0.573	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.7	179.3	-62.3	0	0	0	0	110.4
501	V	93.9	Very high	93.2	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.2	-176.1	-58.9	0	0	0	0	111.3	D207 I494 R496 L499 Y503	D207-V501 HydrophobicContact CB-CG1 4.48Å; D207-V501 VanDerWaalsContact O-CG1 3.31Å; D207-V501 WeakPolarHBondContact O-CG1 3.35Å; I494-V501 HydrophobicContact CB-CG2 3.99Å; I494-V501 WeakPolarHBondContact CB-O 3.34Å; I494-V501 HydrophobicContact CG2-CG2 3.59Å; I494-V501 PolarHBondContact O-N 2.94Å; I494-V501 VanDerWaalsContact O-N 3.09Å; R496-V501 HydrophobicContact CB-CG1 4.44Å; R496-V501 HydrophobicContact CG-CG1 4.35Å; R496-V501 HydrophobicContact CG-CG2 3.84Å; L499-V501 HydrophobicContact CG-CG1 4.46Å; V501-Y503 WeakPolarHBondContact CG2-O 3.31Å
502	N	94.1	Very high	93.2	Very high	105 Å²	105	39.7 Å²	39.7	56%	0.561	20%	0.195	S	C	*	.	S	Bend	trans	-91.1	-19.2	-179.3	-68.4	-41.1	0	0	0	113.7	K471 L472	K471-N502 WeakPolarHBondContact CA-O 3.3Å; L472-N502 PolarHBondContact N-O 3.01Å
503	Y	93.8	Very high	93.3	Very high	89 Å²	89	34.3 Å²	34.3	35%	0.349	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.7	179.7	66.8	-83.3	0	0	0	111.3	I469 I470 V501 R505	I469-Y503 HydrophobicContact CG2-CD2 4.4Å; I470-Y503 CarbonylContact O-C 3.52Å; I470-Y503 WeakPolarHBondContact O-CA 3.37Å; V501-Y503 WeakPolarHBondContact CG2-O 3.31Å; Y503-R505 HydrophobicContact CD2-CG 4.17Å; Y503-R505 HydrophobicContact CE2-CG 4.06Å
504	V	93.5	Very high	93.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.1	169.9	65.7	0	0	0	0	109.5	C465 I469 I470 Q508 A510 F512	C465-V504 HydrophobicContact CB-CG2 4.36Å; I469-V504 WeakPolarHBondContact CA-O 3.5Å; I470-V504 HydrophobicContact CB-CG1 3.83Å; I470-V504 PolarHBondContact N-O 3.48Å; I470-V504 PolarHBondContact O-N 2.98Å; V504-Q508 HydrophobicContact CG2-CB 3.59Å; V504-A510 HydrophobicContact CB-CB 4.17Å; V504-A510 HydrophobicContact CG1-CB 4.3Å; V504-A510 HydrophobicContact CG2-CB 3.83Å; V504-F512 HydrophobicContact CG1-CE1 4.05Å; V504-F512 HydrophobicContact CG1-CZ 3.59Å
505	R	91.4	Very high	92.8	Very high	62 Å²	62	38.1 Å²	38.1	23%	0.234	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	160.6	177.4	-64.3	178.7	-66	-160.9	-6.6	110.8	D208 L440 C465 G468 I469 Y503 Q508	D208-R505 IonicContact OD1-NH2 2.87Å; D208-R505 PolarHBondContact OD1-NH2 3.26Å; D208-R505 IonicContact OD2-CZ 3.66Å; D208-R505 IonicContact OD2-NH2 2.64Å; D208-R505 PolarHBondContact OD2-NH2 3.02Å; L440-R505 HydrophobicContact CD2-CB 3.86Å; L440-R505 HydrophobicContact CD2-CG 3.95Å; C465-R505 WeakPolarHBondContact CB-O 3.09Å; G468-R505 CarbonylContact O-C 3.24Å; I469-R505 HydrophobicContact CG1-CG 4.44Å; Y503-R505 HydrophobicContact CD2-CG 4.17Å; Y503-R505 HydrophobicContact CE2-CG 4.06Å; R505-Q508 WeakPolarHBondContact O-CB 3.2Å; R505-Q508 PolarHBondContact O-N 2.89Å
506	G	90.4	Very high	92.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	149.3	168.6	0	0	0	0	0	111.7	P438 C465 G468 Q508	P438-G506 WeakPolarHBondContact CA-O 3.48Å; P438-G506 WeakPolarHBondContact CB-O 3.24Å; P438-G506 VanDerWaalsContact O-CA 3.3Å; P438-G506 WeakPolarHBondContact O-CA 3.22Å; C465-G506 CarbonylContact O-C 3.46Å; G468-G506 PolarHBondContact O-N 3.04Å; G506-Q508 PolarHBondContact O-N 3.32Å
507	G	88	Confident	92.1	Very high	8 Å²	8	45.4 Å²	45.4	8%	0.082	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-19	-171.9	0	0	0	0	0	115.2	S436 C465	S436-G507 VanDerWaalsContact CB-CA 3.46Å; C465-G507 WeakPolarHBondContact O-CA 3.2Å; C465-G507 PolarHBondContact O-N 2.94Å
508	Q	91	Very high	92	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.042	25%	0.245	C	C	.	.			trans	-89.8	151.2	-176.9	-59.2	-178.9	-28	0	0	112.9	D208 C465 V504 R505 G506	D208-Q508 PolarHBondContact OD1-NE2 3.25Å; C465-Q508 PolarHBondContact N-O 3.2Å; V504-Q508 HydrophobicContact CG2-CB 3.59Å; R505-Q508 WeakPolarHBondContact O-CB 3.2Å; R505-Q508 PolarHBondContact O-N 2.89Å; G506-Q508 PolarHBondContact O-N 3.32Å
509	T	93.3	Very high	92	Very high	25 Å²	25	53 Å²	53	15%	0.153	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	137.2	170	62.2	0	0	0	0	111.1	D211 G463	D211-T509 PolarHBondContact OD2-OG1 3.29Å; G463-T509 WeakPolarHBondContact O-CA 3.37Å
510	A	95.2	Very high	91.9	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	161.4	179.8	0	0	0	0	0	112.2	F446 S462 G463 I494 Q495 R496 V504 F512	F446-A510 HydrophobicContact CE2-CB 4.32Å; F446-A510 WeakPolarHBondContact CZ-O 3.37Å; S462-A510 WeakPolarHBondContact CA-O 3.31Å; S462-A510 PolarHBondContact OG-O 3.14Å; G463-A510 PolarHBondContact N-O 3.48Å; G463-A510 VanDerWaalsContact N-O 3.12Å; G463-A510 PolarHBondContact O-N 3.39Å; G463-A510 VanDerWaalsContact O-N 3.09Å; I494-A510 HydrophobicContact CG2-CB 4.22Å; Q495-A510 CarbonylContact O-C 3.51Å; Q495-A510 WeakPolarHBondContact O-CA 3.34Å; R496-A510 HydrophobicContact CG-CB 4.26Å; V504-A510 HydrophobicContact CB-CB 4.17Å; V504-A510 HydrophobicContact CG1-CB 4.3Å; V504-A510 HydrophobicContact CG2-CB 3.83Å; A510-F512 HydrophobicContact CB-CZ 4.34Å
511	S	96.1	Very high	91.7	Very high	26 Å²	26	59.9 Å²	59.9	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.8	171.3	-65.9	0	0	0	0	110	I461 S462 Q495	I461-S511 CarbonylContact O-C 3.5Å; I461-S511 WeakPolarHBondContact O-CA 3.43Å; S462-S511 WeakPolarHBondContact CB-OG 3.48Å; S462-S511 PolarHBondContact OG-OG 3.03Å; Q495-S511 PolarHBondContact N-O 2.94Å; Q495-S511 PolarHBondContact O-N 3.39Å
512	F	96.9	Very high	91.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.7	-179.3	-59.8	-67.4	0	0	0	111.2	F446 V460 I461 I470 I491 S493 I494 V504 A510 L514 L528	F446-F512 HydrophobicContact CD1-CD2 4.13Å; F446-F512 AromaticContact CD1-CE2 3.76Å; F446-F512 HydrophobicContact CD1-CE2 3.76Å; F446-F512 AromaticContact CD2-CE2 3.52Å; F446-F512 HydrophobicContact CD2-CE2 3.52Å; F446-F512 HydrophobicContact CD2-CZ 4.19Å; F446-F512 AromaticContact CE1-CD2 3.71Å; F446-F512 HydrophobicContact CE1-CD2 3.71Å; F446-F512 AromaticContact CE1-CE2 3.63Å; F446-F512 HydrophobicContact CE1-CE2 3.63Å; F446-F512 HydrophobicContact CE2-CD2 4.14Å; F446-F512 AromaticContact CE2-CE2 3.39Å; F446-F512 HydrophobicContact CE2-CE2 3.39Å; F446-F512 HydrophobicContact CE2-CZ 4.17Å; F446-F512 HydrophobicContact CG-CD2 4.5Å; F446-F512 AromaticContact CG-CE2 3.69Å; F446-F512 HydrophobicContact CG-CE2 3.69Å; F446-F512 AromaticContact CZ-CD2 3.69Å; F446-F512 HydrophobicContact CZ-CD2 3.69Å; F446-F512 AromaticContact CZ-CE2 3.42Å; F446-F512 HydrophobicContact CZ-CE2 3.42Å; F446-F512 VanDerWaalsContact CZ-CE2 3.42Å; V460-F512 CarbonylContact C-O 3.6Å; V460-F512 VanDerWaalsContact CA-O 3.29Å; V460-F512 WeakPolarHBondContact CA-O 3.36Å; I461-F512 HydrophobicContact CD1-CB 4.38Å; I461-F512 HydrophobicContact CD1-CD2 4.27Å; I461-F512 HydrophobicContact CG1-CB 3.91Å; I461-F512 HydrophobicContact CG1-CD2 4.36Å; I461-F512 PolarHBondContact N-O 3.34Å; I461-F512 PolarHBondContact O-N 3.41Å; I470-F512 HydrophobicContact CB-CZ 4.18Å; I470-F512 HydrophobicContact CD1-CE2 4.26Å; I470-F512 HydrophobicContact CD1-CZ 3.92Å; I470-F512 HydrophobicContact CG2-CE1 3.84Å; I470-F512 HydrophobicContact CG2-CZ 3.82Å; I491-F512 HydrophobicContact CD1-CB 4.23Å; I491-F512 HydrophobicContact CD1-CD1 4.29Å; I491-F512 HydrophobicContact CD1-CG 4.21Å; I491-F512 HydrophobicContact CG2-CD1 3.71Å; I491-F512 HydrophobicContact CG2-CE1 4.32Å; I491-F512 HydrophobicContact CG2-CG 4.46Å; S493-F512 WeakPolarHBondContact O-CA 3.35Å; I494-F512 HydrophobicContact CB-CD1 4.17Å; I494-F512 HydrophobicContact CB-CE1 4.15Å; I494-F512 HydrophobicContact CD1-CD1 4.41Å; I494-F512 HydrophobicContact CD1-CE1 3.89Å; I494-F512 HydrophobicContact CG1-CD1 3.77Å; I494-F512 HydrophobicContact CG1-CE1 3.72Å; I494-F512 HydrophobicContact CG2-CD1 3.92Å; I494-F512 HydrophobicContact CG2-CE1 3.57Å; V504-F512 HydrophobicContact CG1-CE1 4.05Å; V504-F512 HydrophobicContact CG1-CZ 3.59Å; A510-F512 HydrophobicContact CB-CZ 4.34Å; F512-L514 HydrophobicContact CB-CD2 4.22Å; F512-L528 HydrophobicContact CD2-CD1 3.86Å; F512-L528 HydrophobicContact CE2-CD1 4.13Å
513	A	95.9	Very high	91.6	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.3	163.6	0	0	0	0	0	109.4	V457 V460 K492 S493	V457-A513 HydrophobicContact CG1-CB 3.54Å; V460-A513 HydrophobicContact CG2-CB 4.28Å; K492-A513 HydrophobicContact CB-CB 4.22Å; K492-A513 WeakPolarHBondContact CB-O 3.45Å; K492-A513 PolarHBondContact N-O 2.91Å; S493-A513 PolarHBondContact O-N 3.44Å; S493-A513 WeakPolarHBondContact OG-CB 3.33Å
514	L	93.8	Very high	91.5	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137	-177	-58.2	179.9	0	0	0	111.5	T459 I461 L478 I489 I491 F512 L517	T459-L514 PolarHBondContact O-N 3.21Å; T459-L514 VanDerWaalsContact O-N 3.17Å; I461-L514 HydrophobicContact CD1-CD1 3.81Å; I461-L514 HydrophobicContact CD1-CD2 4.14Å; I461-L514 HydrophobicContact CD1-CG 4.26Å; I461-L514 HydrophobicContact CG1-CD1 3.96Å; I461-L514 HydrophobicContact CG1-CD2 4.35Å; I461-L514 HydrophobicContact CG1-CG 4.13Å; I461-L514 HydrophobicContact CG2-CD1 3.89Å; L478-L514 HydrophobicContact CD2-CD1 4.25Å; I489-L514 HydrophobicContact CD1-CB 4.32Å; I489-L514 HydrophobicContact CG1-CB 3.99Å; I489-L514 HydrophobicContact CG1-CD1 4.39Å; I489-L514 HydrophobicContact CG1-CD2 4.04Å; I489-L514 HydrophobicContact CG1-CG 4.36Å; I489-L514 HydrophobicContact CG2-CD2 4.41Å; I491-L514 HydrophobicContact CD1-CD2 3.7Å; F512-L514 HydrophobicContact CB-CD2 4.22Å; L514-L517 HydrophobicContact CB-CB 4.24Å; L514-L517 HydrophobicContact CB-CD2 4.26Å; L514-L517 HydrophobicContact CD1-CD2 3.55Å
515	K	88.7	Confident	91.4	Very high	115 Å²	115	57.8 Å²	57.8	50%	0.5	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	129.7	-178.2	-169.1	172	-174.3	175.4	0	111.6	I489 S490 L517	I489-K515 WeakPolarHBondContact CD1-O 3.39Å; S490-K515 PolarHBondContact O-N 3.01Å; S490-K515 WeakPolarHBondContact OG-CB 3.44Å; S490-K515 WeakPolarHBondContact OG-CD 3.49Å; K515-L517 VanDerWaalsContact C-N 3.25Å; K515-L517 PolarHBondContact O-N 3.5Å
516	K	84.6	Confident	91.6	Very high	198 Å²	198	55 Å²	55	86%	0.861	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	25.4	171.6	-64.4	175.7	178	-175.2	0	115.6
517	L	88.4	Confident	91.9	Very high	33 Å²	33	55 Å²	55	17%	0.173	25%	0.248	C	C	.	.			trans	-108.1	132.9	-179.2	-161.1	73.5	0	0	0	112.1	T459 L478 I489 L514 K515 Q521 V522	T459-L517 WeakPolarHBondContact CB-O 3.28Å; T459-L517 PolarHBondContact OG1-O 2.86Å; L478-L517 HydrophobicContact CD2-CD2 3.44Å; L478-L517 VanDerWaalsContact CD2-CD2 3.44Å; I489-L517 HydrophobicContact CD1-CB 4.27Å; L514-L517 HydrophobicContact CB-CB 4.24Å; L514-L517 HydrophobicContact CB-CD2 4.26Å; L514-L517 HydrophobicContact CD1-CD2 3.55Å; K515-L517 VanDerWaalsContact C-N 3.25Å; K515-L517 PolarHBondContact O-N 3.5Å; L517-Q521 HydrophobicContact CD1-CB 4.08Å; L517-Q521 VanDerWaalsContact CD1-OE1 3.26Å; L517-Q521 HydrophobicContact CG-CB 4.4Å; L517-V522 HydrophobicContact CD2-CG2 3.22Å; L517-V522 HydrophobicContact CG-CG2 4.02Å
518	R	89.1	Confident	92.3	Very high	184 Å²	184	54.7 Å²	54.7	69%	0.694	24%	0.244	S	C	*	.			trans	-87.6	148.2	175.3	-67.1	-176.7	177.6	178.1	0	110.5	N520 Q521	R518-N520 WeakPolarHBondContact CB-OD1 3.06Å; R518-N520 PolarHBondContact O-N 3.06Å; R518-N520 VanDerWaalsContact O-N 3.14Å; R518-Q521 VanDerWaalsContact N-OE1 3.13Å; R518-Q521 WeakPolarHBondContact O-CB 3.44Å; R518-Q521 PolarHBondContact O-N 2.85Å
519	R	88.6	Confident	92.6	Very high	149 Å²	149	54.4 Å²	54.4	56%	0.562	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-55.4	-34.4	-179.3	-179.1	-179.2	177.2	177	1	113.7	I451 T459 Q521 V522	I451-R519 HydrophobicContact CG2-CG 4.33Å; T459-R519 PolarHBondContact OG1-N 3.21Å; T459-R519 VanDerWaalsContact OG1-N 3.16Å; R519-Q521 PolarHBondContact O-N 3.13Å; R519-V522 PolarHBondContact O-N 3.49Å
520	N	90	Very high	92.7	Very high	132 Å²	132	53.4 Å²	53.4	71%	0.706	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-70.7	-14.2	-178.5	65.3	-21.5	0	0	0	114.1	R518	R518-N520 WeakPolarHBondContact CB-OD1 3.06Å; R518-N520 PolarHBondContact O-N 3.06Å; R518-N520 VanDerWaalsContact O-N 3.14Å
521	Q	90.2	Very high	92.6	Very high	106 Å²	106	56 Å²	56	50%	0.495	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-87.7	-8.3	176.9	-66.5	167.9	-31.3	0	0	112.4	L517 R518 R519	L517-Q521 HydrophobicContact CD1-CB 4.08Å; L517-Q521 VanDerWaalsContact CD1-OE1 3.26Å; L517-Q521 HydrophobicContact CG-CB 4.4Å; R518-Q521 VanDerWaalsContact N-OE1 3.13Å; R518-Q521 WeakPolarHBondContact O-CB 3.44Å; R518-Q521 PolarHBondContact O-N 2.85Å; R519-Q521 PolarHBondContact O-N 3.13Å
522	V	93	Very high	92.5	Very high	12 Å²	12	60.8 Å²	60.8	7%	0.073	27%	0.274	C	S	.	.			trans	-115.8	138.9	-179.3	-167	0	0	0	0	110	I451 T459 I461 L478 L517 R519 M526	I451-V522 HydrophobicContact CD1-CB 4.04Å; I451-V522 HydrophobicContact CD1-CG1 3.64Å; I451-V522 HydrophobicContact CG1-CG1 4.08Å; T459-V522 HydrophobicContact CG2-CG2 4.2Å; I461-V522 HydrophobicContact CG2-CG1 3.82Å; L478-V522 HydrophobicContact CD2-CG2 4.25Å; L517-V522 HydrophobicContact CD2-CG2 3.22Å; L517-V522 HydrophobicContact CG-CG2 4.02Å; R519-V522 PolarHBondContact O-N 3.49Å; V522-M526 HydrophobicContact CG1-SD 4.25Å
523	R	92.8	Very high	92.2	Very high	54 Å²	54	62.7 Å²	62.7	20%	0.204	29%	0.287	C	S	.	.			trans	-134.2	156	172.5	65.9	-179.7	-177.2	89	-4.6	110.7	I451 P480 M526 P598 E599	I451-R523 VanDerWaalsContact CD1-C 3.47Å; P480-R523 PolarHBondContact O-NH2 3.14Å; R523-M526 HydrophobicContact CG-CG 3.65Å; R523-M526 HydrophobicContact CG-SD 3.76Å; R523-M526 PolarHBondContact N-SD 3Å; R523-M526 VanDerWaalsContact N-SD 3.36Å; R523-M526 WeakPolarHBondContact O-CB 3.46Å; R523-M526 WeakPolarHBondContact O-CG 3.1Å; R523-M526 PolarHBondContact O-N 2.96Å; R523-P598 PolarHBondContact NH2-O 3.12Å; R523-P598 VanDerWaalsContact NH2-O 3.08Å; R523-E599 IonicContact CZ-OE1 2.69Å; R523-E599 VanDerWaalsContact CZ-OE1 3.24Å; R523-E599 IonicContact CZ-OE2 3.4Å; R523-E599 VanDerWaalsContact CZ-OE2 3.24Å; R523-E599 IonicContact NH1-OE1 3.13Å; R523-E599 PolarHBondContact NH1-OE1 2.84Å; R523-E599 IonicContact NH1-OE2 3.77Å; R523-E599 PolarHBondContact NH1-OE2 3.13Å; R523-E599 IonicContact NH2-OE1 3.46Å; R523-E599 PolarHBondContact NH2-OE1 3.48Å; R523-E599 IonicContact NH2-OE2 2.84Å; R523-E599 PolarHBondContact NH2-OE2 2.82Å
524	K	91.8	Very high	91.9	Very high	90 Å²	90	70.9 Å²	70.9	39%	0.391	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	142.4	171.6	-61	-176.5	172.3	-121.3	0	109.5	F314 D449 I451 M526	F314-K524 HydrophobicContact CE2-CD 4.48Å; F314-K524 HydrophobicContact CZ-CD 4.13Å; D449-K524 VanDerWaalsContact O-CD 3.26Å; D449-K524 WeakPolarHBondContact O-CD 3.37Å; D449-K524 VanDerWaalsContact O-CE 3.3Å; D449-K524 WeakPolarHBondContact O-CE 3.35Å; D449-K524 WeakPolarHBondContact O-CG 3.42Å; D449-K524 PolarHBondContact O-NZ 2.94Å; I451-K524 HydrophobicContact CD1-CG 4.39Å; K524-M526 VanDerWaalsContact C-N 3.35Å
525	G	91.3	Very high	91.8	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.01	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-8	-175.7	0	0	0	0	0	114.8	I448	I448-G525 PolarHBondContact O-N 2.82Å; I448-G525 VanDerWaalsContact O-N 3.13Å
526	M	95.4	Very high	91.9	Very high	4 Å²	4	73.1 Å²	73.1	2%	0.02	33%	0.334	C	S	.	.			trans	-68.8	162.2	164.3	-68.2	177.6	83.4	0	0	110.6	I448 L478 G479 V522 R523 K524	I448-M526 WeakPolarHBondContact CB-O 3.48Å; I448-M526 HydrophobicContact CD1-CB 4Å; I448-M526 WeakPolarHBondContact CG1-O 3.24Å; I448-M526 PolarHBondContact N-O 2.88Å; L478-M526 HydrophobicContact CD1-CB 4.31Å; L478-M526 HydrophobicContact CD1-CE 4.09Å; L478-M526 HydrophobicContact CD2-CE 4.38Å; L478-M526 HydrophobicContact CG-CE 3.78Å; G479-M526 CarbonylContact O-C 3.57Å; G479-M526 WeakPolarHBondContact O-CA 3.42Å; G479-M526 WeakPolarHBondContact O-CB 3.38Å; V522-M526 HydrophobicContact CG1-SD 4.25Å; R523-M526 HydrophobicContact CG-CG 3.65Å; R523-M526 HydrophobicContact CG-SD 3.76Å; R523-M526 PolarHBondContact N-SD 3Å; R523-M526 VanDerWaalsContact N-SD 3.36Å; R523-M526 WeakPolarHBondContact O-CB 3.46Å; R523-M526 WeakPolarHBondContact O-CG 3.1Å; R523-M526 PolarHBondContact O-N 2.96Å; K524-M526 VanDerWaalsContact C-N 3.35Å
527	V	96.5	Very high	92.4	Very high	1 Å²	1	64 Å²	64	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.3	-179.3	-63.5	0	0	0	0	110.1	F446 L478 G479 F486 L529 Y600	F446-V527 CarbonylContact O-C 3.54Å; F446-V527 VanDerWaalsContact O-CA 3.24Å; F446-V527 WeakPolarHBondContact O-CA 3.3Å; F446-V527 WeakPolarHBondContact O-CB 3.49Å; L478-V527 WeakPolarHBondContact CA-O 3.11Å; G479-V527 PolarHBondContact N-O 3.11Å; G479-V527 VanDerWaalsContact N-O 3.1Å; G479-V527 WeakPolarHBondContact O-CG2 3.39Å; G479-V527 PolarHBondContact O-N 2.92Å; F486-V527 HydrophobicContact CE1-CG2 4Å; V527-L529 HydrophobicContact CB-CD2 4.44Å; V527-L529 HydrophobicContact CB-CG 4.27Å; V527-L529 HydrophobicContact CG2-CD1 3.66Å; V527-L529 HydrophobicContact CG2-CD2 4.24Å; V527-L529 HydrophobicContact CG2-CG 3.72Å; V527-Y600 HydrophobicContact CB-CD1 4.42Å; V527-Y600 HydrophobicContact CG1-CD1 4.02Å; V527-Y600 HydrophobicContact CG2-CD1 3.69Å; V527-Y600 HydrophobicContact CG2-CE1 4.33Å; V527-Y600 HydrophobicContact CG2-CG 3.86Å
528	L	96.5	Very high	92.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126	162.8	-69.2	175.4	0	0	0	108.2	F446 I461 L476 L477 L478 I489 I491 F512	F446-L528 HydrophobicContact CB-CB 4.16Å; F446-L528 HydrophobicContact CD1-CB 4.43Å; F446-L528 HydrophobicContact CD1-CD1 4.09Å; F446-L528 HydrophobicContact CD1-CG 4.44Å; F446-L528 PolarHBondContact N-O 2.89Å; F446-L528 PolarHBondContact O-N 2.77Å; I461-L528 HydrophobicContact CD1-CD1 3.51Å; I461-L528 HydrophobicContact CD1-CD2 4.47Å; I461-L528 HydrophobicContact CD1-CG 3.94Å; L476-L528 HydrophobicContact CB-CB 4.35Å; L476-L528 HydrophobicContact CB-CD2 4.3Å; L476-L528 HydrophobicContact CD1-CB 4.01Å; L476-L528 HydrophobicContact CD1-CD1 4.2Å; L477-L528 WeakPolarHBondContact O-CA 3.37Å; L478-L528 HydrophobicContact CB-CD2 3.8Å; L478-L528 HydrophobicContact CD1-CD2 3.75Å; L478-L528 HydrophobicContact CD1-CG 4.38Å; L478-L528 HydrophobicContact CG-CD2 4.32Å; I489-L528 HydrophobicContact CG2-CD2 3.59Å; I491-L528 HydrophobicContact CD1-CD1 4.01Å; F512-L528 HydrophobicContact CD2-CD1 3.86Å; F512-L528 HydrophobicContact CE2-CD1 4.13Å
529	L	96.7	Very high	92.8	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.6	-176.8	-62.1	173.7	0	0	0	110.9	A444 H445 L477 F486 V527 P535 Y600	A444-L529 WeakPolarHBondContact O-CA 3.32Å; H445-L529 HydrophobicContact CB-CD2 3.98Å; H445-L529 WeakPolarHBondContact CD2-CD2 3.36Å; L477-L529 PolarHBondContact N-O 2.89Å; L477-L529 PolarHBondContact O-N 3.16Å; F486-L529 HydrophobicContact CE1-CD1 3.94Å; V527-L529 HydrophobicContact CB-CD2 4.44Å; V527-L529 HydrophobicContact CB-CG 4.27Å; V527-L529 HydrophobicContact CG2-CD1 3.66Å; V527-L529 HydrophobicContact CG2-CD2 4.24Å; V527-L529 HydrophobicContact CG2-CG 3.72Å; L529-P535 HydrophobicContact CD1-CB 3.32Å; L529-P535 HydrophobicContact CD1-CG 3.75Å; L529-Y600 HydrophobicContact CD1-CD1 4.28Å; L529-Y600 HydrophobicContact CD1-CD2 4.1Å; L529-Y600 HydrophobicContact CD1-CE1 3.85Å; L529-Y600 HydrophobicContact CD1-CE2 3.66Å; L529-Y600 HydrophobicContact CD1-CG 4.37Å; L529-Y600 HydrophobicContact CD2-CE1 4.12Å
530	A	95.8	Very high	93.1	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	24%	0.237	C	C	.	.			trans	-61.1	137.5	171.2	0	0	0	0	0	110.6	L443 A444 E532 S533	L443-A530 HydrophobicContact CB-CB 3.98Å; L443-A530 HydrophobicContact CD2-CB 4.35Å; A444-A530 HydrophobicContact CB-CB 4.2Å; A444-A530 PolarHBondContact O-N 3.04Å; A530-E532 VanDerWaalsContact CB-OE2 3.27Å; A530-E532 WeakPolarHBondContact CB-OE2 3.24Å; A530-E532 PolarHBondContact O-N 3.36Å; A530-E532 VanDerWaalsContact O-N 3.12Å; A530-S533 WeakPolarHBondContact O-CB 3.5Å; A530-S533 PolarHBondContact O-N 2.91Å; A530-S533 PolarHBondContact O-OG 3.26Å
531	P	93.5	Very high	93.4	Very high	55 Å²	55	42.3 Å²	42.3	36%	0.357	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-53.9	-30.5	179.3	-27.3	35.8	0	0	0	114.7	I475 L477 S533	I475-P531 WeakPolarHBondContact O-CG 3.47Å; L477-P531 HydrophobicContact CG-CB 4.42Å; L477-P531 HydrophobicContact CG-CG 4.49Å; P531-S533 PolarHBondContact O-N 3.1Å
532	E	93	Very high	93.7	Very high	128 Å²	128	38.9 Å²	38.9	60%	0.598	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-66.7	-24.3	-179.9	-58.2	75	-161.5	0	0	112.6	L443 A530 K534	L443-E532 HydrophobicContact CD1-CB 4.1Å; L443-E532 HydrophobicContact CD2-CB 4.19Å; A530-E532 VanDerWaalsContact CB-OE2 3.27Å; A530-E532 WeakPolarHBondContact CB-OE2 3.24Å; A530-E532 PolarHBondContact O-N 3.36Å; A530-E532 VanDerWaalsContact O-N 3.12Å; E532-K534 PolarHBondContact O-N 3.4Å
533	S	89.9	Confident	93.8	Very high	40 Å²	40	38.3 Å²	38.3	28%	0.28	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.6	-16.9	-176.6	66.3	0	0	0	0	114.1	A530 P531	A530-S533 WeakPolarHBondContact O-CB 3.5Å; A530-S533 PolarHBondContact O-N 2.91Å; A530-S533 PolarHBondContact O-OG 3.26Å; P531-S533 PolarHBondContact O-N 3.1Å
534	K	89.8	Confident	93.9	Very high	173 Å²	173	38.2 Å²	38.2	75%	0.752	19%	0.187	S	C	*	.			trans	41.9	59.3	-177.3	-64.6	179.2	-177.3	174.5	0	112.5	E532	E532-K534 PolarHBondContact O-N 3.4Å
535	P	92	Very high	94	Very high	21 Å²	21	34.1 Å²	34.1	14%	0.136	17%	0.169	C	C	.	.			trans	-68.8	144.2	-167.1	30.1	-36	0	0	0	112.4	L477 F486 L529 Y600	L477-P535 HydrophobicContact CD1-CG 4.06Å; F486-P535 HydrophobicContact CB-CG 4.33Å; F486-P535 HydrophobicContact CD1-CB 4.24Å; F486-P535 HydrophobicContact CD1-CG 3.63Å; F486-P535 HydrophobicContact CD2-CB 4.36Å; F486-P535 HydrophobicContact CD2-CG 3.89Å; F486-P535 HydrophobicContact CE1-CB 3.91Å; F486-P535 HydrophobicContact CE1-CG 3.84Å; F486-P535 HydrophobicContact CE2-CB 4.04Å; F486-P535 HydrophobicContact CE2-CG 4.08Å; F486-P535 HydrophobicContact CG-CB 4.48Å; F486-P535 HydrophobicContact CG-CG 3.69Å; F486-P535 HydrophobicContact CZ-CB 3.81Å; F486-P535 HydrophobicContact CZ-CG 4.06Å; L529-P535 HydrophobicContact CD1-CB 3.32Å; L529-P535 HydrophobicContact CD1-CG 3.75Å; P535-Y600 HydrophobicContact CB-CD2 4.17Å; P535-Y600 HydrophobicContact CB-CE2 3.7Å
536	K	91.6	Very high	93.9	Very high	147 Å²	147	35.3 Å²	35.3	64%	0.639	18%	0.175	S	C	*	.			trans	-117	128.8	176.8	-61.9	-177.9	-175.2	175.7	0	109.3	P625	K536-P625 HydrophobicContact CD-CB 4.13Å; K536-P625 HydrophobicContact CD-CG 4.32Å
537	A	93.7	Very high	93.6	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	18%	0.175	C	C	.	.			trans	-72.3	156.7	170.4	0	0	0	0	0	109.9	P480 F486 P598 Y626	P480-A537 HydrophobicContact CB-CB 3.78Å; P480-A537 HydrophobicContact CG-CB 4.26Å; F486-A537 HydrophobicContact CE2-CB 4.31Å; A537-P598 HydrophobicContact CB-CB 3.94Å; A537-Y626 WeakPolarHBondContact O-CB 3.47Å; A537-Y626 PolarHBondContact O-N 3.1Å
538	C	93.5	Very high	92.8	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.5	175.7	67.7	0	0	0	0	110.4	P598 E599 V624	C538-P598 WeakPolarHBondContact O-CA 3.44Å; C538-E599 PolarHBondContact N-O 2.82Å; C538-E599 PolarHBondContact O-N 2.96Å; C538-E599 PolarHBondContact SG-O 3.41Å; C538-V624 WeakPolarHBondContact CB-O 3.26Å
539	I	93.8	Very high	91.9	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.062	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-31.2	166.9	-72.7	-172.7	0	0	0	109.8	R593 F594 P598 Y626 Q631	I539-R593 HydrophobicContact CG2-CG 3.79Å; I539-R593 WeakPolarHBondContact O-CA 3.37Å; I539-F594 HydrophobicContact CG2-CB 4.25Å; I539-F594 WeakPolarHBondContact CG2-O 3.35Å; I539-F594 WeakPolarHBondContact O-CB 3.46Å; I539-F594 PolarHBondContact O-N 3.12Å; I539-P598 HydrophobicContact CD1-CB 4.17Å; I539-P598 HydrophobicContact CG1-CB 3.68Å; I539-Y626 HydrophobicContact CB-CD2 4.25Å; I539-Y626 HydrophobicContact CD1-CD2 3.34Å; I539-Y626 HydrophobicContact CD1-CE2 3.16Å; I539-Y626 HydrophobicContact CD1-CG 4.4Å; I539-Y626 HydrophobicContact CG1-CD2 3.56Å; I539-Y626 HydrophobicContact CG1-CE2 3.94Å; I539-Y626 HydrophobicContact CG1-CG 4.33Å; I539-Q631 HydrophobicContact CD1-CG 4.32Å
540	E	95.2	Very high	91	Very high	29 Å²	29	41.8 Å²	41.8	14%	0.136	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.7	178.5	-75.2	166.7	-141.2	0	0	110.5	L574 F592 R593 V624	E540-L574 HydrophobicContact CG-CD1 4.15Å; E540-F592 WeakPolarHBondContact CA-O 3.34Å; E540-R593 HydrophobicContact CG-CB 3.91Å; E540-R593 HydrophobicContact CG-CG 3.95Å; E540-R593 IonicContact OE1-CZ 3.64Å; E540-R593 IonicContact OE1-NE 3.74Å; E540-R593 PolarHBondContact OE1-NE 3.27Å; E540-R593 IonicContact OE1-NH2 2.67Å; E540-R593 PolarHBondContact OE1-NH2 3.24Å; E540-R593 IonicContact OE2-NH2 3.34Å; E540-V624 HydrophobicContact CB-CB 3.81Å; E540-V624 HydrophobicContact CB-CG1 4.37Å; E540-V624 HydrophobicContact CB-CG2 4.02Å; E540-V624 WeakPolarHBondContact O-CB 3.34Å; E540-V624 PolarHBondContact O-N 3.3Å
541	F	95.4	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.7	177.8	62.9	-86.9	0	0	0	110.1	A543 V562 F592 F594 L601 L607 V620 E622 L623	F541-A543 HydrophobicContact CD2-CB 4.22Å; F541-A543 HydrophobicContact CE2-CB 4.17Å; F541-V562 HydrophobicContact CZ-CG1 4.26Å; F541-F592 HydrophobicContact CD1-CB 4.05Å; F541-F592 HydrophobicContact CD2-CB 4.14Å; F541-F592 HydrophobicContact CD2-CD2 4.12Å; F541-F592 HydrophobicContact CE1-CB 3.54Å; F541-F592 HydrophobicContact CE1-CG 4.39Å; F541-F592 HydrophobicContact CE2-CB 3.64Å; F541-F592 AromaticContact CE2-CD2 3.45Å; F541-F592 HydrophobicContact CE2-CD2 3.45Å; F541-F592 VanDerWaalsContact CE2-CD2 3.45Å; F541-F592 HydrophobicContact CE2-CE2 4.35Å; F541-F592 AromaticContact CE2-CG 3.76Å; F541-F592 HydrophobicContact CE2-CG 3.76Å; F541-F592 HydrophobicContact CG-CB 4.33Å; F541-F592 HydrophobicContact CZ-CB 3.32Å; F541-F592 AromaticContact CZ-CD2 3.88Å; F541-F592 HydrophobicContact CZ-CD2 3.88Å; F541-F592 AromaticContact CZ-CG 3.68Å; F541-F592 HydrophobicContact CZ-CG 3.68Å; F541-F592 PolarHBondContact N-O 3.19Å; F541-F592 VanDerWaalsContact N-O 3.11Å; F541-F592 PolarHBondContact O-N 2.96Å; F541-F594 HydrophobicContact CD1-CD2 4.34Å; F541-F594 AromaticContact CD1-CE2 3.96Å; F541-F594 HydrophobicContact CD1-CE2 3.96Å; F541-F594 HydrophobicContact CD1-CZ 4.33Å; F541-F594 HydrophobicContact CE1-CD1 4.4Å; F541-F594 HydrophobicContact CE1-CD2 4.06Å; F541-F594 AromaticContact CE1-CE1 3.96Å; F541-F594 HydrophobicContact CE1-CE1 3.96Å; F541-F594 AromaticContact CE1-CE2 3.58Å; F541-F594 HydrophobicContact CE1-CE2 3.58Å; F541-F594 HydrophobicContact CE1-CG 4.44Å; F541-F594 AromaticContact CE1-CZ 3.52Å; F541-F594 HydrophobicContact CE1-CZ 3.52Å; F541-F594 HydrophobicContact CZ-CE1 4.49Å; F541-F594 HydrophobicContact CZ-CZ 4.16Å; F541-L601 HydrophobicContact CB-CD1 4.23Å; F541-L601 HydrophobicContact CD1-CD1 3.64Å; F541-L601 HydrophobicContact CD2-CD1 4.3Å; F541-L601 HydrophobicContact CE1-CD1 4.02Å; F541-L601 HydrophobicContact CG-CD1 3.8Å; F541-L601 HydrophobicContact CZ-CD1 4.49Å; F541-L607 HydrophobicContact CD2-CD2 4.43Å; F541-L607 HydrophobicContact CE2-CD2 3.56Å; F541-L607 HydrophobicContact CZ-CD2 4.25Å; F541-V620 HydrophobicContact CD2-CG2 4.18Å; F541-E622 WeakPolarHBondContact CA-O 3.45Å; F541-L623 HydrophobicContact CB-CD2 4.01Å
542	I	96.2	Very high	89.4	Confident	34 Å²	34	47.1 Å²	47.1	17%	0.174	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.6	176.5	-46.5	-173.6	0	0	0	107.7	M589 V590 V591 K621 E622	I542-M589 HydrophobicContact CG2-CE 3.56Å; I542-V590 WeakPolarHBondContact CA-O 3.44Å; I542-V591 HydrophobicContact CD1-CG2 4.45Å; I542-V591 HydrophobicContact CG1-CG2 4.21Å; I542-K621 PolarHBondContact O-N 3.13Å; I542-E622 HydrophobicContact CB-CB 4.05Å; I542-E622 HydrophobicContact CD1-CB 4.18Å; I542-E622 WeakPolarHBondContact CD1-OE2 3.44Å; I542-E622 HydrophobicContact CG1-CB 4.16Å; I542-E622 PolarHBondContact N-O 2.93Å; I542-E622 PolarHBondContact O-N 3.43Å
543	A	96	Very high	89.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.8	176	0	0	0	0	0	111.1	F541 V545 V590 F592 L607 T619	F541-A543 HydrophobicContact CD2-CB 4.22Å; F541-A543 HydrophobicContact CE2-CB 4.17Å; A543-V545 HydrophobicContact CB-CG2 4.23Å; A543-V590 PolarHBondContact N-O 3.33Å; A543-V590 PolarHBondContact O-N 3.06Å; A543-F592 HydrophobicContact CB-CD2 4.2Å; A543-F592 HydrophobicContact CB-CE2 4.05Å; A543-L607 HydrophobicContact CB-CD2 3.77Å; A543-T619 CarbonylContact C-O 3.53Å; A543-T619 VanDerWaalsContact CA-O 3.24Å; A543-T619 WeakPolarHBondContact CA-O 3.34Å; A543-T619 WeakPolarHBondContact CB-O 3.5Å
544	E	95.1	Very high	89	Confident	52 Å²	52	41.5 Å²	41.5	24%	0.243	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.4	167.6	-175.3	176	-148.8	0	0	107.7	K587 M589 G618 T619 K621	E544-K587 WeakPolarHBondContact OE1-CE 3.38Å; E544-K587 IonicContact OE1-NZ 2.9Å; E544-K587 PolarHBondContact OE1-NZ 3.29Å; E544-M589 VanDerWaalsContact CA-SD 3.56Å; E544-M589 HydrophobicContact CB-SD 3.54Å; E544-M589 VanDerWaalsContact CB-SD 3.54Å; E544-M589 HydrophobicContact CG-SD 4.04Å; E544-G618 CarbonylContact O-C 3.58Å; E544-G618 WeakPolarHBondContact O-CA 3.41Å; E544-T619 PolarHBondContact N-O 3.22Å; E544-T619 PolarHBondContact O-N 3.41Å; E544-K621 HydrophobicContact CB-CG 4.12Å; E544-K621 WeakPolarHBondContact OE2-CE 3.47Å; E544-K621 IonicContact OE2-NZ 3.79Å; E544-K621 PolarHBondContact OE2-NZ 3Å
545	V	92.6	Very high	89	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.2	-172.9	-179.3	0	0	0	0	110.5	A543 I547 K587 D588 V590 F592 A616 V617	A543-V545 HydrophobicContact CB-CG2 4.23Å; V545-I547 HydrophobicContact CG1-CD1 3.87Å; V545-K587 CarbonylContact O-C 3.52Å; V545-K587 VanDerWaalsContact O-CA 3.31Å; V545-K587 WeakPolarHBondContact O-CA 3.33Å; V545-D588 PolarHBondContact N-O 3.25Å; V545-D588 PolarHBondContact O-N 2.9Å; V545-V590 HydrophobicContact CB-CG2 4.04Å; V545-V590 HydrophobicContact CG2-CB 4.1Å; V545-V590 HydrophobicContact CG2-CG2 4.02Å; V545-F592 HydrophobicContact CG2-CE2 3.64Å; V545-F592 HydrophobicContact CG2-CZ 3.85Å; V545-A616 HydrophobicContact CG1-CB 3.7Å; V545-V617 CarbonylContact C-O 3.45Å; V545-V617 VanDerWaalsContact CA-O 3.31Å; V545-V617 WeakPolarHBondContact CA-O 3.29Å
546	L	90.2	Very high	89.1	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	169.2	177.2	68.3	0	0	0	109.5	L548 G585 K587 A616 V617 V699	L546-L548 HydrophobicContact CD2-CD2 3.95Å; L546-L548 HydrophobicContact CG-CD2 4.27Å; L546-L548 PolarHBondContact O-N 2.75Å; L546-G585 WeakPolarHBondContact CD1-O 3.38Å; L546-K587 HydrophobicContact CD1-CB 4.12Å; L546-A616 VanDerWaalsContact O-CA 3.28Å; L546-A616 WeakPolarHBondContact O-CA 3.35Å; L546-A616 WeakPolarHBondContact O-CB 3.33Å; L546-V617 PolarHBondContact N-O 2.94Å; L546-V617 PolarHBondContact O-N 2.93Å; L546-V699 HydrophobicContact CD2-CB 3.98Å; L546-V699 HydrophobicContact CD2-CG1 3.53Å
547	I	87.9	Confident	89.1	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.1	176.7	-50.4	-54.1	0	0	0	109.5	V545 H550 I554 L582 R583 G585 D586 A616	V545-I547 HydrophobicContact CG1-CD1 3.87Å; I547-H550 HydrophobicContact CG2-CB 3.81Å; I547-I554 HydrophobicContact CD1-CD1 3.68Å; I547-I554 HydrophobicContact CG1-CD1 4.35Å; I547-L582 HydrophobicContact CD1-CB 4.43Å; I547-L582 HydrophobicContact CD1-CD1 4.12Å; I547-L582 HydrophobicContact CG1-CB 3.89Å; I547-L582 HydrophobicContact CG1-CD1 4.27Å; I547-R583 VanDerWaalsContact CB-O 3.26Å; I547-R583 WeakPolarHBondContact CB-O 3.12Å; I547-G585 PolarHBondContact O-N 3.26Å; I547-D586 PolarHBondContact N-O 3.33Å; I547-A616 HydrophobicContact CD1-CB 3.47Å; I547-A616 VanDerWaalsContact CD1-CB 3.47Å
548	L	80.3	Confident	89	Confident	47 Å²	47	35.1 Å²	35.1	25%	0.246	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-41	179.1	-61.9	-178.6	0	0	0	112.5	A347 L546 T584 K615 V617	A347-L548 HydrophobicContact CB-CD1 4.18Å; L546-L548 HydrophobicContact CD2-CD2 3.95Å; L546-L548 HydrophobicContact CG-CD2 4.27Å; L546-L548 PolarHBondContact O-N 2.75Å; L548-T584 VanDerWaalsContact O-CG2 3.26Å; L548-T584 WeakPolarHBondContact O-CG2 3.37Å; L548-K615 HydrophobicContact CB-CB 4.25Å; L548-K615 WeakPolarHBondContact CB-O 3.36Å; L548-K615 PolarHBondContact N-O 2.78Å; L548-V617 HydrophobicContact CD1-CG2 3.56Å; L548-V617 HydrophobicContact CG-CG2 4.06Å
549	H	78.7	Confident	89	Confident	86 Å²	86	39.5 Å²	39.5	40%	0.398	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	126.2	176.9	-178.7	68.9	0	0	0	109.6	T614 K615	H549-T614 CarbonylContact O-C 3.58Å; H549-T614 VanDerWaalsContact O-CA 3.3Å; H549-T614 WeakPolarHBondContact O-CA 3.35Å; H549-K615 PolarHBondContact N-O 3Å; H549-K615 VanDerWaalsContact N-O 3.12Å; H549-K615 PolarHBondContact O-N 3.13Å
550	H	76.1	Confident	88.9	Confident	9 Å²	9	39.1 Å²	39.1	4%	0.042	23%	0.225	C	C	.	.			trans	-141.1	130.5	170.2	-175.9	51.8	0	0	0	109	I547 T552 I554 Y558 T584 T614	I547-H550 HydrophobicContact CG2-CB 3.81Å; H550-T552 PolarHBondContact CD2-O 2.84Å; H550-T552 PolarHBondContact CE1-OG1 3.47Å; H550-T552 PolarHBondContact NE2-OG1 2.81Å; H550-T552 PolarHBondContact O-N 3.34Å; H550-I554 WeakPolarHBondContact CD2-CG1 3.46Å; H550-I554 WeakPolarHBondContact NE2-CG1 3.43Å; H550-Y558 PolarHBondContact CE1-OH 3.06Å; H550-T584 PolarHBondContact N-OG1 3.34Å; H550-T584 PolarHBondContact O-OG1 3.16Å; H550-T614 HydrophobicContact CB-CG2 4Å; H550-T614 PolarHBondContact CE1-OG1 2.66Å; H550-T614 VanDerWaalsContact CE1-OG1 3.25Å; H550-T614 WeakPolarHBondContact ND1-CB 3.48Å; H550-T614 WeakPolarHBondContact ND1-CG2 3.29Å; H550-T614 PolarHBondContact ND1-OG1 3.2Å
551	P	76.9	Confident	88.8	Confident	85 Å²	85	40.6 Å²	40.6	55%	0.552	23%	0.232	S	C	*	.	S	Bend	trans	-67.7	-24.1	179.3	26.2	-36.2	0	0	0	113.6
552	T	79.8	Confident	88.7	Confident	87 Å²	87	40.6 Å²	40.6	53%	0.534	23%	0.232	S	C	.	.	S	Bend	trans	-124.9	-156.2	-172.8	49.3	0	0	0	0	111.2	H550	H550-T552 PolarHBondContact CD2-O 2.84Å; H550-T552 PolarHBondContact CE1-OG1 3.47Å; H550-T552 PolarHBondContact NE2-OG1 2.81Å; H550-T552 PolarHBondContact O-N 3.34Å
553	T	85.8	Confident	88.5	Confident	50 Å²	50	39.1 Å²	39.1	31%	0.307	23%	0.225	S	C	.	.			trans	-107.2	137.1	172.8	50.8	0	0	0	0	110.3	R583	T553-R583 HydrophobicContact CG2-CG 4.24Å
554	I	87.8	Confident	88.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-94.2	127.2	173.4	-57.4	176.6	0	0	0	108.7	I547 H550 Y558 I573 R581 L582 F609 T614	I547-I554 HydrophobicContact CD1-CD1 3.68Å; I547-I554 HydrophobicContact CG1-CD1 4.35Å; H550-I554 WeakPolarHBondContact CD2-CG1 3.46Å; H550-I554 WeakPolarHBondContact NE2-CG1 3.43Å; I554-Y558 HydrophobicContact CB-CD1 4.44Å; I554-Y558 HydrophobicContact CD1-CE1 4.29Å; I554-Y558 HydrophobicContact CG1-CD1 4.32Å; I554-Y558 HydrophobicContact CG1-CE1 4.16Å; I554-Y558 HydrophobicContact CG2-CD1 3.57Å; I554-Y558 HydrophobicContact CG2-CE1 4.23Å; I554-Y558 HydrophobicContact CG2-CG 3.95Å; I554-I573 HydrophobicContact CG2-CD1 3.38Å; I554-R581 CarbonylContact O-C 3.52Å; I554-R581 WeakPolarHBondContact O-CA 3.31Å; I554-L582 HydrophobicContact CB-CB 4.18Å; I554-L582 PolarHBondContact N-O 3.01Å; I554-L582 PolarHBondContact O-N 3.42Å; I554-F609 HydrophobicContact CD1-CE1 4.2Å; I554-T614 HydrophobicContact CD1-CG2 4.16Å
555	S	91.1	Very high	88.1	Confident	52 Å²	52	36.9 Å²	36.9	36%	0.364	22%	0.216	S	C	.	.			trans	-125.2	172.3	176.1	64.8	0	0	0	0	111.4	G557 Y558	S555-G557 PolarHBondContact O-N 3.18Å; S555-Y558 WeakPolarHBondContact O-CB 3.47Å; S555-Y558 PolarHBondContact O-N 3.42Å; S555-Y558 VanDerWaalsContact O-N 3.12Å
556	V	93.9	Very high	88.1	Confident	80 Å²	80	36.9 Å²	36.9	49%	0.485	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	139.2	168.7	175.9	0	0	0	0	110.5	Y558 L574 L576	V556-Y558 VanDerWaalsContact C-N 3.32Å; V556-L574 WeakPolarHBondContact CG1-O 3.43Å; V556-L576 HydrophobicContact CG2-CG 4.21Å
557	G	92	Very high	88.3	Confident	45 Å²	45	35.8 Å²	35.8	46%	0.464	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-10.3	-175.1	0	0	0	0	0	114.5	S555 Q559 I573	S555-G557 PolarHBondContact O-N 3.18Å; G557-Q559 PolarHBondContact O-N 3.5Å; G557-I573 PolarHBondContact N-O 3.47Å
558	Y	91.6	Very high	88.5	Confident	36 Å²	36	41.8 Å²	41.8	14%	0.141	23%	0.233	C	C	.	.			trans	-63	136.1	176.3	-176.6	-108	0	0	0	111.2	H550 I554 S555 V556 A560 T572 I573 F609 E611 T614	H550-Y558 PolarHBondContact CE1-OH 3.06Å; I554-Y558 HydrophobicContact CB-CD1 4.44Å; I554-Y558 HydrophobicContact CD1-CE1 4.29Å; I554-Y558 HydrophobicContact CG1-CD1 4.32Å; I554-Y558 HydrophobicContact CG1-CE1 4.16Å; I554-Y558 HydrophobicContact CG2-CD1 3.57Å; I554-Y558 HydrophobicContact CG2-CE1 4.23Å; I554-Y558 HydrophobicContact CG2-CG 3.95Å; S555-Y558 WeakPolarHBondContact O-CB 3.47Å; S555-Y558 PolarHBondContact O-N 3.42Å; S555-Y558 VanDerWaalsContact O-N 3.12Å; V556-Y558 VanDerWaalsContact C-N 3.32Å; Y558-A560 HydrophobicContact CE1-CB 4.03Å; Y558-T572 WeakPolarHBondContact O-CA 3.14Å; Y558-I573 HydrophobicContact CD1-CD1 4.1Å; Y558-I573 PolarHBondContact O-N 2.98Å; Y558-F609 AromaticContact CD1-CE1 3.96Å; Y558-F609 HydrophobicContact CD1-CE1 3.96Å; Y558-F609 AromaticContact CD1-CZ 3.54Å; Y558-F609 HydrophobicContact CD1-CZ 3.54Å; Y558-F609 AromaticContact CE1-CE1 3.52Å; Y558-F609 HydrophobicContact CE1-CE1 3.52Å; Y558-F609 AromaticContact CE1-CZ 3.46Å; Y558-F609 HydrophobicContact CE1-CZ 3.46Å; Y558-F609 VanDerWaalsContact CE1-CZ 3.46Å; Y558-E611 WeakPolarHBondContact CE2-OE2 3.49Å; Y558-E611 VanDerWaalsContact OH-CB 3.28Å; Y558-E611 WeakPolarHBondContact OH-CB 3.21Å; Y558-E611 PolarHBondContact OH-OE2 3.42Å; Y558-T614 PolarHBondContact OH-OG1 2.97Å
559	Q	93.3	Very high	89.1	Confident	94 Å²	94	40.3 Å²	40.3	44%	0.439	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.1	-176.7	-60.8	-169.6	-14.5	0	0	109.6	G557 T570 A571 T572 I595	G557-Q559 PolarHBondContact O-N 3.5Å; Q559-T570 HydrophobicContact CB-CG2 4.17Å; Q559-A571 WeakPolarHBondContact CA-O 3.25Å; Q559-T572 HydrophobicContact CG-CG2 4.1Å; Q559-T572 WeakPolarHBondContact CG-OG1 3.33Å; Q559-T572 PolarHBondContact NE2-OG1 3.06Å; Q559-I595 HydrophobicContact CG-CD1 4.39Å
560	A	91.3	Very high	89.9	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	170	171.4	0	0	0	0	0	112.2	Y558 V562 T570 A571 F609 R610 E611	Y558-A560 HydrophobicContact CE1-CB 4.03Å; A560-V562 PolarHBondContact O-N 3.44Å; A560-T570 CarbonylContact O-C 3.53Å; A560-T570 WeakPolarHBondContact O-CA 3.39Å; A560-A571 PolarHBondContact N-O 3Å; A560-A571 PolarHBondContact O-N 3.08Å; A560-F609 HydrophobicContact CB-CD1 4.27Å; A560-F609 HydrophobicContact CB-CD2 3.82Å; A560-F609 HydrophobicContact CB-CE1 3.73Å; A560-F609 HydrophobicContact CB-CE2 3.21Å; A560-F609 HydrophobicContact CB-CG 4.32Å; A560-F609 HydrophobicContact CB-CZ 3.16Å; A560-R610 WeakPolarHBondContact CB-O 3.43Å; A560-E611 HydrophobicContact CB-CB 3.91Å
561	M	92.8	Very high	90.8	Very high	60 Å²	60	38.4 Å²	38.4	30%	0.296	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.4	176.6	-167.2	166.2	-66.9	0	0	109.4	R568 R610	M561-R568 HydrophobicContact CG-CG 3.84Å; M561-R568 VanDerWaalsContact SD-CD 3.52Å; M561-R568 HydrophobicContact SD-CG 3.55Å; M561-R568 VanDerWaalsContact SD-CG 3.55Å; M561-R610 WeakPolarHBondContact CB-O 3.22Å; M561-R610 PolarHBondContact N-O 3.35Å; M561-R610 PolarHBondContact O-N 3.43Å
562	V	93.6	Very high	91.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.7	169.9	174.7	0	0	0	0	108.1	F541 A560 A564 R568 Q569 A571 F592 F594 L607 I608 F609	F541-V562 HydrophobicContact CZ-CG1 4.26Å; A560-V562 PolarHBondContact O-N 3.44Å; V562-A564 HydrophobicContact CG1-CB 4.29Å; V562-R568 WeakPolarHBondContact O-CA 3.35Å; V562-Q569 PolarHBondContact N-O 3.2Å; V562-Q569 PolarHBondContact O-N 3.41Å; V562-Q569 VanDerWaalsContact O-N 3.07Å; V562-A571 HydrophobicContact CB-CB 4.43Å; V562-A571 HydrophobicContact CG2-CB 3.57Å; V562-F592 HydrophobicContact CG2-CD1 4.46Å; V562-F594 HydrophobicContact CB-CE1 4.18Å; V562-F594 HydrophobicContact CG1-CE1 4.3Å; V562-L607 HydrophobicContact CG1-CB 4.23Å; V562-L607 HydrophobicContact CG1-CD2 4.44Å; V562-I608 WeakPolarHBondContact CA-O 3.27Å; V562-F609 HydrophobicContact CG2-CD2 3.87Å
563	H	92.7	Very high	92.4	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.5	168.8	-63.6	-101.3	0	0	0	107.9	I313 T317 V567 L607 I608	I313-H563 HydrophobicContact CG2-CB 3.94Å; I313-H563 WeakPolarHBondContact CG2-ND1 3.39Å; T317-H563 HydrophobicContact CG2-CB 4.29Å; H563-V567 WeakPolarHBondContact CA-O 3.25Å; H563-L607 CarbonylContact O-C 3.5Å; H563-L607 WeakPolarHBondContact O-CA 3.4Å; H563-L607 WeakPolarHBondContact O-CB 3.35Å; H563-I608 HydrophobicContact CB-CB 4.29Å; H563-I608 PolarHBondContact N-O 2.86Å; H563-I608 PolarHBondContact O-N 2.71Å
564	A	92	Very high	92.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	103.9	179.5	0	0	0	0	0	108.3	V562 V567 L601 L605 L607	V562-A564 HydrophobicContact CG1-CB 4.29Å; A564-V567 PolarHBondContact N-O 2.9Å; A564-V567 VanDerWaalsContact O-CB 3.26Å; A564-V567 WeakPolarHBondContact O-CB 3.47Å; A564-V567 PolarHBondContact O-N 3.22Å; A564-L601 HydrophobicContact CB-CD2 3.96Å; A564-L605 HydrophobicContact CB-CD2 3.94Å; A564-L605 HydrophobicContact CB-CG 4.4Å; A564-L607 HydrophobicContact CB-CB 4.08Å
565	G	90.4	Very high	93.1	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-134.1	-164.8	0	0	0	0	0	111.5	T317 V567	T317-G565 CarbonylContact C-O 3.43Å; T317-G565 WeakPolarHBondContact CB-O 3.39Å; T317-G565 CarbonylContact O-C 3.45Å; T317-G565 VanDerWaalsContact O-CA 3.28Å; T317-G565 WeakPolarHBondContact O-CA 3.42Å; T317-G565 PolarHBondContact OG1-O 3.29Å; G565-V567 VanDerWaalsContact C-N 3.3Å
566	P	92.8	Very high	93.2	Very high	4 Å²	4	36 Å²	36	3%	0.026	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.3	170.6	-14.8	28.8	0	0	0	114.5	F314 Q447 I448 D449 R568	F314-P566 HydrophobicContact CE2-CB 4.12Å; Q447-P566 HydrophobicContact CG-CG 3.39Å; I448-P566 WeakPolarHBondContact O-CB 3.31Å; I448-P566 WeakPolarHBondContact O-CG 3.39Å; D449-P566 HydrophobicContact CB-CB 4.42Å; D449-P566 HydrophobicContact CB-CG 4.19Å; P566-R568 PolarHBondContact O-N 2.71Å
567	V	93.5	Very high	93	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.6	177.4	179.3	0	0	0	0	108.9	H563 A564 G565 Q569 F594 E599	H563-V567 WeakPolarHBondContact CA-O 3.25Å; A564-V567 PolarHBondContact N-O 2.9Å; A564-V567 VanDerWaalsContact O-CB 3.26Å; A564-V567 WeakPolarHBondContact O-CB 3.47Å; A564-V567 PolarHBondContact O-N 3.22Å; G565-V567 VanDerWaalsContact C-N 3.3Å; V567-Q569 HydrophobicContact CG1-CB 4.49Å; V567-F594 HydrophobicContact CG1-CZ 4.34Å; V567-E599 HydrophobicContact CG1-CB 4.21Å; V567-E599 HydrophobicContact CG1-CG 3.66Å; V567-E599 HydrophobicContact CG2-CB 4.44Å
568	R	92.7	Very high	92.7	Very high	128 Å²	128	39.2 Å²	39.2	48%	0.483	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	102	174.1	-171.7	-172.9	93.2	-172.3	4	110.3	M561 V562 P566	M561-R568 HydrophobicContact CG-CG 3.84Å; M561-R568 VanDerWaalsContact SD-CD 3.52Å; M561-R568 HydrophobicContact SD-CG 3.55Å; M561-R568 VanDerWaalsContact SD-CG 3.55Å; V562-R568 WeakPolarHBondContact O-CA 3.35Å; P566-R568 PolarHBondContact O-N 2.71Å
569	Q	93.5	Very high	92.3	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.075	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.2	-176	-176.5	162.6	-40.8	0	0	112.2	V562 V567 A571 F594 S597 E599	V562-Q569 PolarHBondContact N-O 3.2Å; V562-Q569 PolarHBondContact O-N 3.41Å; V562-Q569 VanDerWaalsContact O-N 3.07Å; V567-Q569 HydrophobicContact CG1-CB 4.49Å; Q569-A571 PolarHBondContact O-N 3.24Å; Q569-F594 HydrophobicContact CB-CD1 3.9Å; Q569-F594 HydrophobicContact CB-CE1 4.02Å; Q569-F594 HydrophobicContact CG-CD1 3.83Å; Q569-F594 HydrophobicContact CG-CE1 4.46Å; Q569-F594 HydrophobicContact CG-CG 4.48Å; Q569-F594 VanDerWaalsContact NE2-CB 3.27Å; Q569-S597 PolarHBondContact NE2-O 2.98Å; Q569-S597 PolarHBondContact OE1-OG 3.37Å; Q569-E599 PolarHBondContact OE1-OE1 3.16Å
570	T	95	Very high	92	Very high	54 Å²	54	43.4 Å²	43.4	33%	0.331	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.1	171.6	-48.6	0	0	0	0	110	Q559 A560 I595	Q559-T570 HydrophobicContact CB-CG2 4.17Å; A560-T570 CarbonylContact O-C 3.53Å; A560-T570 WeakPolarHBondContact O-CA 3.39Å; T570-I595 HydrophobicContact CG2-CD1 3.52Å; T570-I595 WeakPolarHBondContact O-CG1 3.48Å; T570-I595 PolarHBondContact O-N 3.21Å; T570-I595 VanDerWaalsContact O-N 3.08Å
571	A	95.2	Very high	92	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.8	172.3	0	0	0	0	0	110.4	Q559 A560 V562 Q569 F592 R593 F594	Q559-A571 WeakPolarHBondContact CA-O 3.25Å; A560-A571 PolarHBondContact N-O 3Å; A560-A571 PolarHBondContact O-N 3.08Å; V562-A571 HydrophobicContact CB-CB 4.43Å; V562-A571 HydrophobicContact CG2-CB 3.57Å; Q569-A571 PolarHBondContact O-N 3.24Å; A571-F592 HydrophobicContact CB-CB 4.3Å; A571-F592 HydrophobicContact CB-CD1 4.04Å; A571-R593 CarbonylContact C-O 3.53Å; A571-R593 WeakPolarHBondContact CA-O 3.22Å; A571-F594 HydrophobicContact CB-CD1 4.06Å; A571-F594 HydrophobicContact CB-CE1 4.38Å
572	T	95.5	Very high	91.9	Very high	22 Å²	22	46.4 Å²	46.4	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.5	172	-53.2	0	0	0	0	109.1	Y558 Q559 L574 F592 R593	Y558-T572 WeakPolarHBondContact O-CA 3.14Å; Q559-T572 HydrophobicContact CG-CG2 4.1Å; Q559-T572 WeakPolarHBondContact CG-OG1 3.33Å; Q559-T572 PolarHBondContact NE2-OG1 3.06Å; T572-L574 PolarHBondContact O-N 2.93Å; T572-F592 WeakPolarHBondContact O-CA 3.4Å; T572-R593 PolarHBondContact N-O 3.07Å; T572-R593 PolarHBondContact O-N 2.87Å
573	I	94.5	Very high	91.6	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	116.5	169.7	-64.8	177.9	0	0	0	108.5	I554 G557 Y558 L576 V590 F592 F609	I554-I573 HydrophobicContact CG2-CD1 3.38Å; G557-I573 PolarHBondContact N-O 3.47Å; Y558-I573 HydrophobicContact CD1-CD1 4.1Å; Y558-I573 PolarHBondContact O-N 2.98Å; I573-L576 HydrophobicContact CG2-CD2 3.79Å; I573-L576 HydrophobicContact CG2-CG 4.18Å; I573-V590 HydrophobicContact CB-CG1 4.31Å; I573-V590 HydrophobicContact CD1-CG1 4.11Å; I573-V590 HydrophobicContact CG1-CG1 3.86Å; I573-V590 HydrophobicContact CG2-CG1 3.72Å; I573-F592 HydrophobicContact CD1-CE1 4.29Å; I573-F592 HydrophobicContact CG1-CD1 4.11Å; I573-F592 HydrophobicContact CG1-CE1 3.68Å; I573-F592 HydrophobicContact CG1-CZ 4.44Å; I573-F609 HydrophobicContact CD1-CZ 3.99Å; I573-F609 HydrophobicContact CG1-CZ 4.43Å
574	L	94.1	Very high	91.4	Very high	56 Å²	56	56 Å²	56	29%	0.293	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-38.1	177.6	-65.2	-174.3	0	0	0	112.6	E540 V556 T572 V591 R593	E540-L574 HydrophobicContact CG-CD1 4.15Å; V556-L574 WeakPolarHBondContact CG1-O 3.43Å; T572-L574 PolarHBondContact O-N 2.93Å; L574-V591 HydrophobicContact CB-CB 4.41Å; L574-V591 HydrophobicContact CB-CG1 4.28Å; L574-V591 HydrophobicContact CD1-CG1 4.32Å; L574-V591 PolarHBondContact N-O 2.87Å; L574-R593 HydrophobicContact CD1-CB 3.72Å; L574-R593 HydrophobicContact CD2-CB 4.01Å; L574-R593 HydrophobicContact CG-CB 3.76Å
575	K	93.8	Very high	91.1	Very high	126 Å²	126	57.9 Å²	57.9	55%	0.548	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	141.4	-174.7	-174.2	177.6	177.6	-173	0	110.3	V591	K575-V591 HydrophobicContact CB-CB 4.08Å; K575-V591 HydrophobicContact CB-CG2 3.96Å; K575-V591 PolarHBondContact O-N 3.43Å
576	L	93.2	Very high	91.1	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.2	166.8	-59.8	176.4	0	0	0	107.6	V556 I573 H579 E580 L582 V590	V556-L576 HydrophobicContact CG2-CG 4.21Å; I573-L576 HydrophobicContact CG2-CD2 3.79Å; I573-L576 HydrophobicContact CG2-CG 4.18Å; L576-H579 WeakPolarHBondContact CB-O 3.48Å; L576-E580 WeakPolarHBondContact CD1-O 3.42Å; L576-L582 HydrophobicContact CD1-CG 4.23Å; L576-L582 HydrophobicContact CD2-CD1 3.73Å; L576-L582 HydrophobicContact CD2-CG 4.1Å; L576-V590 HydrophobicContact CD2-CB 4.41Å; L576-V590 HydrophobicContact CD2-CG1 4.02Å; L576-V590 HydrophobicContact CD2-CG2 3.75Å
577	N	89.7	Confident	91	Very high	107 Å²	107	65 Å²	65	57%	0.572	32%	0.32	S	S	*	.	S	Bend	trans	-92.2	-56.7	-174	-166.8	31.3	0	0	0	111.9	D588 M589	N577-D588 PolarHBondContact N-OD2 3.36Å; N577-M589 HydrophobicContact CB-CB 3.88Å; N577-M589 WeakPolarHBondContact CB-O 3.44Å; N577-M589 PolarHBondContact N-O 2.97Å
578	S	85.3	Confident	91.1	Very high	87 Å²	87	65.1 Å²	65.1	61%	0.608	32%	0.32	S	S	*	.	S	Bend	trans	-97.6	-30.4	-169.5	-36.7	0	0	0	0	112.1	D588	S578-D588 VanDerWaalsContact CB-OD1 3.27Å; S578-D588 WeakPolarHBondContact CB-OD1 3.41Å; S578-D588 PolarHBondContact N-OD1 3.47Å; S578-D588 PolarHBondContact N-OD2 3.35Å; S578-D588 VanDerWaalsContact N-OD2 3.08Å; S578-D588 PolarHBondContact OG-OD1 3.39Å
579	H	83.8	Confident	91.2	Very high	71 Å²	71	61.8 Å²	61.8	33%	0.329	31%	0.31	S	S	.	.			trans	-115.2	142.7	-174.8	-56.6	84.6	0	0	0	111.5	L576 R581 L582 K587 D588	L576-H579 WeakPolarHBondContact CB-O 3.48Å; H579-R581 VanDerWaalsContact C-N 3.26Å; H579-R581 WeakPolarHBondContact CB-O 3.49Å; H579-L582 HydrophobicContact CB-CD2 3.8Å; H579-K587 PolarHBondContact CE1-O 3.3Å; H579-D588 PolarHBondContact N-OD2 3.18Å; H579-D588 VanDerWaalsContact N-OD2 3.08Å; H579-D588 IonicContact ND1-OD2 3.76Å; H579-D588 PolarHBondContact ND1-OD2 3.16Å
580	E	87.5	Confident	91.2	Very high	146 Å²	146	61 Å²	61	68%	0.682	31%	0.307	S	S	*	.	S	Bend	trans	-67.3	-33.7	166.7	-166.6	-160.9	134.1	0	0	110.8	L576	L576-E580 WeakPolarHBondContact CD1-O 3.42Å
581	R	90.6	Very high	91.3	Very high	126 Å²	126	59.9 Å²	59.9	48%	0.475	30%	0.3	S	S	.	.	S	Bend	trans	-146.5	139.6	-178.6	-55	-180	-164.3	173	7.7	110.1	I554 H579	I554-R581 CarbonylContact O-C 3.52Å; I554-R581 WeakPolarHBondContact O-CA 3.31Å; H579-R581 VanDerWaalsContact C-N 3.26Å; H579-R581 WeakPolarHBondContact CB-O 3.49Å
582	L	89.7	Confident	91.3	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-97	138.7	176.1	-52.2	170.9	0	0	0	111.4	I547 I554 L576 H579 D586 D588 V590	I547-L582 HydrophobicContact CD1-CB 4.43Å; I547-L582 HydrophobicContact CD1-CD1 4.12Å; I547-L582 HydrophobicContact CG1-CB 3.89Å; I547-L582 HydrophobicContact CG1-CD1 4.27Å; I554-L582 HydrophobicContact CB-CB 4.18Å; I554-L582 PolarHBondContact N-O 3.01Å; I554-L582 PolarHBondContact O-N 3.42Å; L576-L582 HydrophobicContact CD1-CG 4.23Å; L576-L582 HydrophobicContact CD2-CD1 3.73Å; L576-L582 HydrophobicContact CD2-CG 4.1Å; H579-L582 HydrophobicContact CB-CD2 3.8Å; L582-D586 HydrophobicContact CB-CB 4.5Å; L582-D586 HydrophobicContact CD2-CB 4.16Å; L582-D588 HydrophobicContact CD1-CB 4.5Å; L582-D588 HydrophobicContact CD2-CB 3.5Å; L582-V590 HydrophobicContact CD1-CG2 4.01Å
583	R	89.1	Confident	91.3	Very high	150 Å²	150	63.6 Å²	63.6	57%	0.566	31%	0.311	S	S	*	.			trans	-120.8	176.3	173.1	-63.4	-178.4	-176.8	-87.9	2	110.1	I547 T553 G585 D586	I547-R583 VanDerWaalsContact CB-O 3.26Å; I547-R583 WeakPolarHBondContact CB-O 3.12Å; T553-R583 HydrophobicContact CG2-CG 4.24Å; R583-G585 PolarHBondContact O-N 2.96Å; R583-D586 WeakPolarHBondContact CA-OD2 3.25Å; R583-D586 WeakPolarHBondContact CB-OD2 3.42Å; R583-D586 PolarHBondContact N-OD2 3.41Å; R583-D586 WeakPolarHBondContact O-CB 3.22Å; R583-D586 PolarHBondContact O-N 2.92Å
584	T	87.4	Confident	91.3	Very high	53 Å²	53	63.7 Å²	63.7	33%	0.325	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.3	176.9	-61.8	0	0	0	0	110.5	L548 H550 L703	L548-T584 VanDerWaalsContact O-CG2 3.26Å; L548-T584 WeakPolarHBondContact O-CG2 3.37Å; H550-T584 PolarHBondContact N-OG1 3.34Å; H550-T584 PolarHBondContact O-OG1 3.16Å; T584-L703 HydrophobicContact CG2-CD1 4.07Å
585	G	85.2	Confident	91.2	Very high	42 Å²	42	64.8 Å²	64.8	43%	0.433	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-19.4	-176.3	0	0	0	0	0	113.8	L546 I547 R583	L546-G585 WeakPolarHBondContact CD1-O 3.38Å; I547-G585 PolarHBondContact O-N 3.26Å; R583-G585 PolarHBondContact O-N 2.96Å
586	D	90.7	Very high	91	Very high	41 Å²	41	66.3 Å²	66.3	22%	0.219	32%	0.324	C	S	.	.			trans	-73.4	141.2	-175.2	-62	-9.9	0	0	0	111.2	I547 L582 R583	I547-D586 PolarHBondContact N-O 3.33Å; L582-D586 HydrophobicContact CB-CB 4.5Å; L582-D586 HydrophobicContact CD2-CB 4.16Å; R583-D586 WeakPolarHBondContact CA-OD2 3.25Å; R583-D586 WeakPolarHBondContact CB-OD2 3.42Å; R583-D586 PolarHBondContact N-OD2 3.41Å; R583-D586 WeakPolarHBondContact O-CB 3.22Å; R583-D586 PolarHBondContact O-N 2.92Å
587	K	91.5	Very high	90.9	Very high	117 Å²	117	65.9 Å²	65.9	51%	0.509	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.3	175.1	-170.7	-177.8	178.7	-163.2	0	109	E544 V545 L546 H579	E544-K587 WeakPolarHBondContact OE1-CE 3.38Å; E544-K587 IonicContact OE1-NZ 2.9Å; E544-K587 PolarHBondContact OE1-NZ 3.29Å; V545-K587 CarbonylContact O-C 3.52Å; V545-K587 VanDerWaalsContact O-CA 3.31Å; V545-K587 WeakPolarHBondContact O-CA 3.33Å; L546-K587 HydrophobicContact CD1-CB 4.12Å; H579-K587 PolarHBondContact CE1-O 3.3Å
588	D	94.2	Very high	91.1	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.9	179.4	-156.4	4	0	0	0	112.9	V545 N577 S578 H579 L582	V545-D588 PolarHBondContact N-O 3.25Å; V545-D588 PolarHBondContact O-N 2.9Å; N577-D588 PolarHBondContact N-OD2 3.36Å; S578-D588 VanDerWaalsContact CB-OD1 3.27Å; S578-D588 WeakPolarHBondContact CB-OD1 3.41Å; S578-D588 PolarHBondContact N-OD1 3.47Å; S578-D588 PolarHBondContact N-OD2 3.35Å; S578-D588 VanDerWaalsContact N-OD2 3.08Å; S578-D588 PolarHBondContact OG-OD1 3.39Å; H579-D588 PolarHBondContact N-OD2 3.18Å; H579-D588 VanDerWaalsContact N-OD2 3.08Å; H579-D588 IonicContact ND1-OD2 3.76Å; H579-D588 PolarHBondContact ND1-OD2 3.16Å; L582-D588 HydrophobicContact CD1-CB 4.5Å; L582-D588 HydrophobicContact CD2-CB 3.5Å
589	M	95.1	Very high	91.5	Very high	57 Å²	57	56.8 Å²	56.8	28%	0.281	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.3	169.5	-69.4	-64.1	-75.4	0	0	109.3	I542 E544 N577 K621	I542-M589 HydrophobicContact CG2-CE 3.56Å; E544-M589 VanDerWaalsContact CA-SD 3.56Å; E544-M589 HydrophobicContact CB-SD 3.54Å; E544-M589 VanDerWaalsContact CB-SD 3.54Å; E544-M589 HydrophobicContact CG-SD 4.04Å; N577-M589 HydrophobicContact CB-CB 3.88Å; N577-M589 WeakPolarHBondContact CB-O 3.44Å; N577-M589 PolarHBondContact N-O 2.97Å; M589-K621 HydrophobicContact CE-CB 3.85Å; M589-K621 HydrophobicContact CE-CG 3.75Å; M589-K621 HydrophobicContact SD-CG 4.21Å
590	V	94.8	Very high	92.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.4	-172.6	-176.2	0	0	0	0	110.1	I542 A543 V545 I573 L576 L582 F592	I542-V590 WeakPolarHBondContact CA-O 3.44Å; A543-V590 PolarHBondContact N-O 3.33Å; A543-V590 PolarHBondContact O-N 3.06Å; V545-V590 HydrophobicContact CB-CG2 4.04Å; V545-V590 HydrophobicContact CG2-CB 4.1Å; V545-V590 HydrophobicContact CG2-CG2 4.02Å; I573-V590 HydrophobicContact CB-CG1 4.31Å; I573-V590 HydrophobicContact CD1-CG1 4.11Å; I573-V590 HydrophobicContact CG1-CG1 3.86Å; I573-V590 HydrophobicContact CG2-CG1 3.72Å; L576-V590 HydrophobicContact CD2-CB 4.41Å; L576-V590 HydrophobicContact CD2-CG1 4.02Å; L576-V590 HydrophobicContact CD2-CG2 3.75Å; L582-V590 HydrophobicContact CD1-CG2 4.01Å; V590-F592 HydrophobicContact CB-CD2 4.29Å; V590-F592 HydrophobicContact CB-CE2 3.62Å; V590-F592 HydrophobicContact CB-CZ 3.94Å; V590-F592 HydrophobicContact CG1-CD1 4.43Å; V590-F592 HydrophobicContact CG1-CD2 4.05Å; V590-F592 HydrophobicContact CG1-CE1 3.96Å; V590-F592 HydrophobicContact CG1-CE2 3.55Å; V590-F592 HydrophobicContact CG1-CG 4.47Å; V590-F592 HydrophobicContact CG1-CZ 3.5Å
591	V	95.6	Very high	92.4	Very high	29 Å²	29	48.5 Å²	48.5	18%	0.176	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.9	173.2	-173.7	0	0	0	0	108.9	I542 L574 K575	I542-V591 HydrophobicContact CD1-CG2 4.45Å; I542-V591 HydrophobicContact CG1-CG2 4.21Å; L574-V591 HydrophobicContact CB-CB 4.41Å; L574-V591 HydrophobicContact CB-CG1 4.28Å; L574-V591 HydrophobicContact CD1-CG1 4.32Å; L574-V591 PolarHBondContact N-O 2.87Å; K575-V591 HydrophobicContact CB-CB 4.08Å; K575-V591 HydrophobicContact CB-CG2 3.96Å; K575-V591 PolarHBondContact O-N 3.43Å
592	F	95.4	Very high	92.5	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.2	178.5	-70.3	-80.3	0	0	0	111.3	E540 F541 A543 V545 V562 A571 T572 I573 V590 F609	E540-F592 WeakPolarHBondContact CA-O 3.34Å; F541-F592 HydrophobicContact CD1-CB 4.05Å; F541-F592 HydrophobicContact CD2-CB 4.14Å; F541-F592 HydrophobicContact CD2-CD2 4.12Å; F541-F592 HydrophobicContact CE1-CB 3.54Å; F541-F592 HydrophobicContact CE1-CG 4.39Å; F541-F592 HydrophobicContact CE2-CB 3.64Å; F541-F592 AromaticContact CE2-CD2 3.45Å; F541-F592 HydrophobicContact CE2-CD2 3.45Å; F541-F592 VanDerWaalsContact CE2-CD2 3.45Å; F541-F592 HydrophobicContact CE2-CE2 4.35Å; F541-F592 AromaticContact CE2-CG 3.76Å; F541-F592 HydrophobicContact CE2-CG 3.76Å; F541-F592 HydrophobicContact CG-CB 4.33Å; F541-F592 HydrophobicContact CZ-CB 3.32Å; F541-F592 AromaticContact CZ-CD2 3.88Å; F541-F592 HydrophobicContact CZ-CD2 3.88Å; F541-F592 AromaticContact CZ-CG 3.68Å; F541-F592 HydrophobicContact CZ-CG 3.68Å; F541-F592 PolarHBondContact N-O 3.19Å; F541-F592 VanDerWaalsContact N-O 3.11Å; F541-F592 PolarHBondContact O-N 2.96Å; A543-F592 HydrophobicContact CB-CD2 4.2Å; A543-F592 HydrophobicContact CB-CE2 4.05Å; V545-F592 HydrophobicContact CG2-CE2 3.64Å; V545-F592 HydrophobicContact CG2-CZ 3.85Å; V562-F592 HydrophobicContact CG2-CD1 4.46Å; A571-F592 HydrophobicContact CB-CB 4.3Å; A571-F592 HydrophobicContact CB-CD1 4.04Å; T572-F592 WeakPolarHBondContact O-CA 3.4Å; I573-F592 HydrophobicContact CD1-CE1 4.29Å; I573-F592 HydrophobicContact CG1-CD1 4.11Å; I573-F592 HydrophobicContact CG1-CE1 3.68Å; I573-F592 HydrophobicContact CG1-CZ 4.44Å; V590-F592 HydrophobicContact CB-CD2 4.29Å; V590-F592 HydrophobicContact CB-CE2 3.62Å; V590-F592 HydrophobicContact CB-CZ 3.94Å; V590-F592 HydrophobicContact CG1-CD1 4.43Å; V590-F592 HydrophobicContact CG1-CD2 4.05Å; V590-F592 HydrophobicContact CG1-CE1 3.96Å; V590-F592 HydrophobicContact CG1-CE2 3.55Å; V590-F592 HydrophobicContact CG1-CG 4.47Å; V590-F592 HydrophobicContact CG1-CZ 3.5Å; F592-F609 HydrophobicContact CD1-CE2 4.39Å; F592-F609 AromaticContact CE1-CD2 3.64Å; F592-F609 HydrophobicContact CE1-CD2 3.64Å; F592-F609 AromaticContact CE1-CE2 3.53Å; F592-F609 HydrophobicContact CE1-CE2 3.53Å; F592-F609 HydrophobicContact CE1-CZ 4.34Å; F592-F609 HydrophobicContact CZ-CD2 4.13Å; F592-F609 HydrophobicContact CZ-CE2 4.34Å
593	R	95.4	Very high	92.7	Very high	100 Å²	100	50.2 Å²	50.2	38%	0.377	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.9	167.7	-178.5	-180	-77.4	160.7	3.1	110.9	I539 E540 A571 T572 L574	I539-R593 HydrophobicContact CG2-CG 3.79Å; I539-R593 WeakPolarHBondContact O-CA 3.37Å; E540-R593 HydrophobicContact CG-CB 3.91Å; E540-R593 HydrophobicContact CG-CG 3.95Å; E540-R593 IonicContact OE1-CZ 3.64Å; E540-R593 IonicContact OE1-NE 3.74Å; E540-R593 PolarHBondContact OE1-NE 3.27Å; E540-R593 IonicContact OE1-NH2 2.67Å; E540-R593 PolarHBondContact OE1-NH2 3.24Å; E540-R593 IonicContact OE2-NH2 3.34Å; A571-R593 CarbonylContact C-O 3.53Å; A571-R593 WeakPolarHBondContact CA-O 3.22Å; T572-R593 PolarHBondContact N-O 3.07Å; T572-R593 PolarHBondContact O-N 2.87Å; L574-R593 HydrophobicContact CD1-CB 3.72Å; L574-R593 HydrophobicContact CD2-CB 4.01Å; L574-R593 HydrophobicContact CG-CB 3.76Å
594	F	95	Very high	92.8	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135	171	-83.2	-39.9	0	0	0	112	I539 F541 V562 V567 Q569 A571 E599 L601	I539-F594 HydrophobicContact CG2-CB 4.25Å; I539-F594 WeakPolarHBondContact CG2-O 3.35Å; I539-F594 WeakPolarHBondContact O-CB 3.46Å; I539-F594 PolarHBondContact O-N 3.12Å; F541-F594 HydrophobicContact CD1-CD2 4.34Å; F541-F594 AromaticContact CD1-CE2 3.96Å; F541-F594 HydrophobicContact CD1-CE2 3.96Å; F541-F594 HydrophobicContact CD1-CZ 4.33Å; F541-F594 HydrophobicContact CE1-CD1 4.4Å; F541-F594 HydrophobicContact CE1-CD2 4.06Å; F541-F594 AromaticContact CE1-CE1 3.96Å; F541-F594 HydrophobicContact CE1-CE1 3.96Å; F541-F594 AromaticContact CE1-CE2 3.58Å; F541-F594 HydrophobicContact CE1-CE2 3.58Å; F541-F594 HydrophobicContact CE1-CG 4.44Å; F541-F594 AromaticContact CE1-CZ 3.52Å; F541-F594 HydrophobicContact CE1-CZ 3.52Å; F541-F594 HydrophobicContact CZ-CE1 4.49Å; F541-F594 HydrophobicContact CZ-CZ 4.16Å; V562-F594 HydrophobicContact CB-CE1 4.18Å; V562-F594 HydrophobicContact CG1-CE1 4.3Å; V567-F594 HydrophobicContact CG1-CZ 4.34Å; Q569-F594 HydrophobicContact CB-CD1 3.9Å; Q569-F594 HydrophobicContact CB-CE1 4.02Å; Q569-F594 HydrophobicContact CG-CD1 3.83Å; Q569-F594 HydrophobicContact CG-CE1 4.46Å; Q569-F594 HydrophobicContact CG-CG 4.48Å; Q569-F594 VanDerWaalsContact NE2-CB 3.27Å; A571-F594 HydrophobicContact CB-CD1 4.06Å; A571-F594 HydrophobicContact CB-CE1 4.38Å; F594-E599 HydrophobicContact CD2-CB 4.09Å; F594-E599 HydrophobicContact CD2-CG 3.91Å; F594-E599 HydrophobicContact CE2-CB 3.75Å; F594-E599 HydrophobicContact CE2-CG 3.82Å; F594-E599 HydrophobicContact CG-CG 4.49Å; F594-E599 HydrophobicContact CZ-CB 4.5Å; F594-E599 HydrophobicContact CZ-CG 4.33Å; F594-L601 HydrophobicContact CE2-CD1 3.81Å; F594-L601 HydrophobicContact CE2-CG 4.36Å; F594-L601 HydrophobicContact CZ-CD1 4.17Å
595	I	92.3	Very high	93	Very high	78 Å²	78	43.1 Å²	43.1	40%	0.4	23%	0.225	S	C	.	.	S	Bend	trans	-82	-34.5	-173.2	-63.7	179.5	0	0	0	113.5	Q559 T570	Q559-I595 HydrophobicContact CG-CD1 4.39Å; T570-I595 HydrophobicContact CG2-CD1 3.52Å; T570-I595 WeakPolarHBondContact O-CG1 3.48Å; T570-I595 PolarHBondContact O-N 3.21Å; T570-I595 VanDerWaalsContact O-N 3.08Å
596	K	89.8	Confident	93.3	Very high	159 Å²	159	46.4 Å²	46.4	69%	0.691	23%	0.225	S	C	*	.	S	Bend	trans	-106.9	-73.2	-164.5	-175.2	-175.3	177.4	-175.3	0	113.1
597	S	90.3	Very high	93.3	Very high	7 Å²	7	44.4 Å²	44.4	5%	0.049	21%	0.214	C	C	.	.			trans	-113.4	152.1	-176.5	34	0	0	0	0	112	Q569 E599	Q569-S597 PolarHBondContact NE2-O 2.98Å; Q569-S597 PolarHBondContact OE1-OG 3.37Å; S597-E599 PolarHBondContact OG-OE1 2.71Å
598	P	93.6	Very high	93.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.			trans	-67.6	144	161.3	31.7	-34.5	0	0	0	110.3	P480 G484 R523 A537 C538 I539 Y626	P480-P598 WeakPolarHBondContact CG-O 3.13Å; G484-P598 VanDerWaalsContact CA-CG 3.49Å; R523-P598 PolarHBondContact NH2-O 3.12Å; R523-P598 VanDerWaalsContact NH2-O 3.08Å; A537-P598 HydrophobicContact CB-CB 3.94Å; C538-P598 WeakPolarHBondContact O-CA 3.44Å; I539-P598 HydrophobicContact CD1-CB 4.17Å; I539-P598 HydrophobicContact CG1-CB 3.68Å; P598-Y626 HydrophobicContact CB-CD1 4.25Å; P598-Y626 HydrophobicContact CB-CD2 4.47Å; P598-Y626 HydrophobicContact CB-CG 4.16Å; P598-Y626 HydrophobicContact CG-CD1 4.49Å; P598-Y626 HydrophobicContact CG-CE1 4.43Å
599	E	95.2	Very high	93	Very high	2 Å²	2	39 Å²	39	1%	0.009	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-129.5	155.8	-175.6	-59.1	-63.2	161.7	0	0	110.2	R523 C538 V567 Q569 F594 S597	R523-E599 IonicContact CZ-OE1 2.69Å; R523-E599 VanDerWaalsContact CZ-OE1 3.24Å; R523-E599 IonicContact CZ-OE2 3.4Å; R523-E599 VanDerWaalsContact CZ-OE2 3.24Å; R523-E599 IonicContact NH1-OE1 3.13Å; R523-E599 PolarHBondContact NH1-OE1 2.84Å; R523-E599 IonicContact NH1-OE2 3.77Å; R523-E599 PolarHBondContact NH1-OE2 3.13Å; R523-E599 IonicContact NH2-OE1 3.46Å; R523-E599 PolarHBondContact NH2-OE1 3.48Å; R523-E599 IonicContact NH2-OE2 2.84Å; R523-E599 PolarHBondContact NH2-OE2 2.82Å; C538-E599 PolarHBondContact N-O 2.82Å; C538-E599 PolarHBondContact O-N 2.96Å; C538-E599 PolarHBondContact SG-O 3.41Å; V567-E599 HydrophobicContact CG1-CB 4.21Å; V567-E599 HydrophobicContact CG1-CG 3.66Å; V567-E599 HydrophobicContact CG2-CB 4.44Å; Q569-E599 PolarHBondContact OE1-OE1 3.16Å; F594-E599 HydrophobicContact CD2-CB 4.09Å; F594-E599 HydrophobicContact CD2-CG 3.91Å; F594-E599 HydrophobicContact CE2-CB 3.75Å; F594-E599 HydrophobicContact CE2-CG 3.82Å; F594-E599 HydrophobicContact CG-CG 4.49Å; F594-E599 HydrophobicContact CZ-CB 4.5Å; F594-E599 HydrophobicContact CZ-CG 4.33Å; S597-E599 PolarHBondContact OG-OE1 2.71Å
600	Y	94.8	Very high	92.5	Very high	40 Å²	40	37.9 Å²	37.9	16%	0.157	18%	0.183	C	C	.	.			trans	-94.7	120	171.8	-177.6	-98.3	0	0	0	108.8	H445 F486 V527 L529 P535	H445-Y600 AromaticContact CE1-CE1 3.9Å; H445-Y600 AromaticContact NE2-CE1 3.74Å; F486-Y600 HydrophobicContact CE1-CD2 4.37Å; F486-Y600 AromaticContact CZ-CD2 3.83Å; F486-Y600 HydrophobicContact CZ-CD2 3.83Å; F486-Y600 HydrophobicContact CZ-CG 4.31Å; V527-Y600 HydrophobicContact CB-CD1 4.42Å; V527-Y600 HydrophobicContact CG1-CD1 4.02Å; V527-Y600 HydrophobicContact CG2-CD1 3.69Å; V527-Y600 HydrophobicContact CG2-CE1 4.33Å; V527-Y600 HydrophobicContact CG2-CG 3.86Å; L529-Y600 HydrophobicContact CD1-CD1 4.28Å; L529-Y600 HydrophobicContact CD1-CD2 4.1Å; L529-Y600 HydrophobicContact CD1-CE1 3.85Å; L529-Y600 HydrophobicContact CD1-CE2 3.66Å; L529-Y600 HydrophobicContact CD1-CG 4.37Å; L529-Y600 HydrophobicContact CD2-CE1 4.12Å; P535-Y600 HydrophobicContact CB-CD2 4.17Å; P535-Y600 HydrophobicContact CB-CE2 3.7Å
601	L	94.6	Very high	92	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.205	C	C	.	.			trans	-126.1	162	175	-57	-179.5	0	0	0	108.2	F541 A564 F594 L605 L623	F541-L601 HydrophobicContact CB-CD1 4.23Å; F541-L601 HydrophobicContact CD1-CD1 3.64Å; F541-L601 HydrophobicContact CD2-CD1 4.3Å; F541-L601 HydrophobicContact CE1-CD1 4.02Å; F541-L601 HydrophobicContact CG-CD1 3.8Å; F541-L601 HydrophobicContact CZ-CD1 4.49Å; A564-L601 HydrophobicContact CB-CD2 3.96Å; F594-L601 HydrophobicContact CE2-CD1 3.81Å; F594-L601 HydrophobicContact CE2-CG 4.36Å; F594-L601 HydrophobicContact CZ-CD1 4.17Å; L601-L605 HydrophobicContact CB-CD2 4.29Å; L601-L605 HydrophobicContact CD2-CD2 3.62Å; L601-L623 HydrophobicContact CB-CD2 3.62Å; L601-L623 HydrophobicContact CD1-CD2 4.36Å; L601-L623 WeakPolarHBondContact O-CD1 3.37Å
602	Y	92.8	Very high	91.2	Very high	70 Å²	70	43.9 Å²	43.9	28%	0.275	23%	0.225	S	C	.	.			trans	-133.1	157.3	175.1	57.1	-90.4	0	0	0	110	H445 L466 L605	H445-Y602 AromaticContact CE1-CD1 3.66Å; H445-Y602 AromaticContact CE1-CE1 3.75Å; L466-Y602 HydrophobicContact CD1-CE1 4.16Å; Y602-L605 HydrophobicContact CD1-CB 4.46Å; Y602-L605 HydrophobicContact CD1-CD2 4.43Å; Y602-L605 HydrophobicContact CD2-CB 4.06Å; Y602-L605 HydrophobicContact CE1-CB 4.32Å; Y602-L605 HydrophobicContact CE1-CD1 3.99Å; Y602-L605 HydrophobicContact CE1-CD2 4.25Å; Y602-L605 HydrophobicContact CE1-CG 4.42Å; Y602-L605 HydrophobicContact CE2-CB 3.88Å; Y602-L605 HydrophobicContact CE2-CD1 4.34Å; Y602-L605 HydrophobicContact CG-CB 4.35Å; Y602-L605 WeakPolarHBondContact O-CB 3.28Å; Y602-L605 PolarHBondContact O-N 3.17Å
603	T	93.3	Very high	90.1	Very high	94 Å²	94	51.2 Å²	51.2	58%	0.577	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	137.5	177.9	51.4	0	0	0	0	110.6	L605 K621	T603-L605 VanDerWaalsContact C-N 3.3Å; T603-K621 WeakPolarHBondContact CG2-O 3.48Å
604	G	91.7	Very high	89	Confident	44 Å²	44	46.6 Å²	46.6	45%	0.454	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-8.1	-174.8	0	0	0	0	0	114.5	R606 V620	G604-R606 PolarHBondContact O-N 3.4Å; G604-V620 PolarHBondContact N-O 2.97Å
605	L	91.9	Very high	88.3	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.052	25%	0.249	C	C	.	.			trans	-61.3	123.6	175.7	178.1	60	0	0	0	110.5	A564 L601 Y602 T603 V620	A564-L605 HydrophobicContact CB-CD2 3.94Å; A564-L605 HydrophobicContact CB-CG 4.4Å; L601-L605 HydrophobicContact CB-CD2 4.29Å; L601-L605 HydrophobicContact CD2-CD2 3.62Å; Y602-L605 HydrophobicContact CD1-CB 4.46Å; Y602-L605 HydrophobicContact CD1-CD2 4.43Å; Y602-L605 HydrophobicContact CD2-CB 4.06Å; Y602-L605 HydrophobicContact CE1-CB 4.32Å; Y602-L605 HydrophobicContact CE1-CD1 3.99Å; Y602-L605 HydrophobicContact CE1-CD2 4.25Å; Y602-L605 HydrophobicContact CE1-CG 4.42Å; Y602-L605 HydrophobicContact CE2-CB 3.88Å; Y602-L605 HydrophobicContact CE2-CD1 4.34Å; Y602-L605 HydrophobicContact CG-CB 4.35Å; Y602-L605 WeakPolarHBondContact O-CB 3.28Å; Y602-L605 PolarHBondContact O-N 3.17Å; T603-L605 VanDerWaalsContact C-N 3.3Å; L605-V620 HydrophobicContact CB-CB 4.43Å; L605-V620 HydrophobicContact CB-CG2 4.23Å; L605-V620 WeakPolarHBondContact O-CG2 3.4Å; L605-V620 PolarHBondContact O-N 3.36Å
606	R	91	Very high	88.1	Confident	111 Å²	111	45.1 Å²	45.1	42%	0.419	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.2	174	-66.9	-176.7	176.4	157.3	1.5	110.4	L348 C349 G604 G618	L348-R606 PolarHBondContact O-NH1 2.82Å; C349-R606 VanDerWaalsContact SG-CZ 3.53Å; G604-R606 PolarHBondContact O-N 3.4Å; R606-G618 CarbonylContact C-O 3.55Å; R606-G618 WeakPolarHBondContact CA-O 3.49Å
607	L	91.2	Very high	88	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.4	177.4	66.6	83.5	0	0	0	111.8	F541 A543 V562 H563 A564 F609 V617 G618 V620	F541-L607 HydrophobicContact CD2-CD2 4.43Å; F541-L607 HydrophobicContact CE2-CD2 3.56Å; F541-L607 HydrophobicContact CZ-CD2 4.25Å; A543-L607 HydrophobicContact CB-CD2 3.77Å; V562-L607 HydrophobicContact CG1-CB 4.23Å; V562-L607 HydrophobicContact CG1-CD2 4.44Å; H563-L607 CarbonylContact O-C 3.5Å; H563-L607 WeakPolarHBondContact O-CA 3.4Å; H563-L607 WeakPolarHBondContact O-CB 3.35Å; A564-L607 HydrophobicContact CB-CB 4.08Å; L607-F609 HydrophobicContact CD1-CB 4.26Å; L607-V617 WeakPolarHBondContact O-CA 3.04Å; L607-G618 PolarHBondContact N-O 3.42Å; L607-G618 PolarHBondContact O-N 3.21Å; L607-V620 HydrophobicContact CD2-CG2 3.94Å
608	I	91.1	Very high	88.1	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.8	169.2	-63.5	171.1	0	0	0	107.8	I313 T317 L344 L348 V562 H563	I313-I608 HydrophobicContact CG2-CD1 4.18Å; T317-I608 HydrophobicContact CG2-CD1 3.76Å; T317-I608 HydrophobicContact CG2-CG1 4.4Å; L344-I608 HydrophobicContact CD2-CD1 3.84Å; L348-I608 HydrophobicContact CD1-CD1 3.95Å; L348-I608 HydrophobicContact CD2-CD1 3.79Å; L348-I608 HydrophobicContact CD2-CG1 4.02Å; L348-I608 HydrophobicContact CG-CD1 3.92Å; V562-I608 WeakPolarHBondContact CA-O 3.27Å; H563-I608 HydrophobicContact CB-CB 4.29Å; H563-I608 PolarHBondContact N-O 2.86Å; H563-I608 PolarHBondContact O-N 2.71Å
609	F	87.4	Confident	88.1	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.1	177.3	175.5	-95.7	0	0	0	109.4	I554 Y558 A560 V562 I573 F592 L607 A616	I554-F609 HydrophobicContact CD1-CE1 4.2Å; Y558-F609 AromaticContact CD1-CE1 3.96Å; Y558-F609 HydrophobicContact CD1-CE1 3.96Å; Y558-F609 AromaticContact CD1-CZ 3.54Å; Y558-F609 HydrophobicContact CD1-CZ 3.54Å; Y558-F609 AromaticContact CE1-CE1 3.52Å; Y558-F609 HydrophobicContact CE1-CE1 3.52Å; Y558-F609 AromaticContact CE1-CZ 3.46Å; Y558-F609 HydrophobicContact CE1-CZ 3.46Å; Y558-F609 VanDerWaalsContact CE1-CZ 3.46Å; A560-F609 HydrophobicContact CB-CD1 4.27Å; A560-F609 HydrophobicContact CB-CD2 3.82Å; A560-F609 HydrophobicContact CB-CE1 3.73Å; A560-F609 HydrophobicContact CB-CE2 3.21Å; A560-F609 HydrophobicContact CB-CG 4.32Å; A560-F609 HydrophobicContact CB-CZ 3.16Å; V562-F609 HydrophobicContact CG2-CD2 3.87Å; I573-F609 HydrophobicContact CD1-CZ 3.99Å; I573-F609 HydrophobicContact CG1-CZ 4.43Å; F592-F609 HydrophobicContact CD1-CE2 4.39Å; F592-F609 AromaticContact CE1-CD2 3.64Å; F592-F609 HydrophobicContact CE1-CD2 3.64Å; F592-F609 AromaticContact CE1-CE2 3.53Å; F592-F609 HydrophobicContact CE1-CE2 3.53Å; F592-F609 HydrophobicContact CE1-CZ 4.34Å; F592-F609 HydrophobicContact CZ-CD2 4.13Å; F592-F609 HydrophobicContact CZ-CE2 4.34Å; L607-F609 HydrophobicContact CD1-CB 4.26Å; F609-A616 HydrophobicContact CB-CB 4.13Å; F609-A616 HydrophobicContact CD1-CB 3.96Å; F609-A616 PolarHBondContact N-O 3.06Å; F609-A616 PolarHBondContact O-N 3.42Å
610	R	86.3	Confident	88.1	Confident	33 Å²	33	40.1 Å²	40.1	13%	0.125	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	133.8	-169.9	-177.5	173.3	-171.4	138.5	19.4	114.1	I313 E340 A560 M561 G612 T614	I313-R610 VanDerWaalsContact CD1-CD 3.48Å; I313-R610 VanDerWaalsContact CD1-NH1 3.26Å; E340-R610 IonicContact OE1-CZ 2.81Å; E340-R610 IonicContact OE1-NH1 3.66Å; E340-R610 PolarHBondContact OE1-NH1 3.25Å; E340-R610 IonicContact OE1-NH2 3.7Å; E340-R610 PolarHBondContact OE1-NH2 3.32Å; E340-R610 IonicContact OE2-NH2 2.7Å; A560-R610 WeakPolarHBondContact CB-O 3.43Å; M561-R610 WeakPolarHBondContact CB-O 3.22Å; M561-R610 PolarHBondContact N-O 3.35Å; M561-R610 PolarHBondContact O-N 3.43Å; R610-G612 PolarHBondContact NE-O 3.39Å; R610-G612 PolarHBondContact NH2-O 3.4Å; R610-T614 WeakPolarHBondContact CA-O 3.24Å; R610-T614 WeakPolarHBondContact CG-O 3.26Å
611	E	84	Confident	88.1	Confident	97 Å²	97	42.8 Å²	42.8	45%	0.453	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	117.4	163.2	-168.3	-162.8	-159.6	0	0	108.5	Y558 A560 K613 T614	Y558-E611 WeakPolarHBondContact CE2-OE2 3.49Å; Y558-E611 VanDerWaalsContact OH-CB 3.28Å; Y558-E611 WeakPolarHBondContact OH-CB 3.21Å; Y558-E611 PolarHBondContact OH-OE2 3.42Å; A560-E611 HydrophobicContact CB-CB 3.91Å; E611-K613 PolarHBondContact O-N 2.81Å; E611-T614 WeakPolarHBondContact O-CB 3.48Å; E611-T614 PolarHBondContact O-N 2.64Å; E611-T614 PolarHBondContact O-OG1 3.34Å
612	G	77	Confident	88.2	Confident	59 Å²	59	48 Å²	48	61%	0.608	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-112.4	-178.4	0	0	0	0	0	113.1	R610	R610-G612 PolarHBondContact NE-O 3.39Å; R610-G612 PolarHBondContact NH2-O 3.4Å
613	K	73.2	Confident	88.1	Confident	156 Å²	156	47.1 Å²	47.1	68%	0.678	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-13.9	177.8	-66	-175.2	179.4	-179.6	0	113.9	E611 K615	E611-K613 PolarHBondContact O-N 2.81Å; K613-K615 PolarHBondContact O-N 3.25Å
614	T	73.1	Confident	88	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.1	179.2	-49.4	0	0	0	0	110.5	H549 H550 I554 Y558 R610 E611	H549-T614 CarbonylContact O-C 3.58Å; H549-T614 VanDerWaalsContact O-CA 3.3Å; H549-T614 WeakPolarHBondContact O-CA 3.35Å; H550-T614 HydrophobicContact CB-CG2 4Å; H550-T614 PolarHBondContact CE1-OG1 2.66Å; H550-T614 VanDerWaalsContact CE1-OG1 3.25Å; H550-T614 WeakPolarHBondContact ND1-CB 3.48Å; H550-T614 WeakPolarHBondContact ND1-CG2 3.29Å; H550-T614 PolarHBondContact ND1-OG1 3.2Å; I554-T614 HydrophobicContact CD1-CG2 4.16Å; Y558-T614 PolarHBondContact OH-OG1 2.97Å; R610-T614 WeakPolarHBondContact CA-O 3.24Å; R610-T614 WeakPolarHBondContact CG-O 3.26Å; E611-T614 WeakPolarHBondContact O-CB 3.48Å; E611-T614 PolarHBondContact O-N 2.64Å; E611-T614 PolarHBondContact O-OG1 3.34Å
615	K	79.5	Confident	87.7	Confident	50 Å²	50	46.2 Å²	46.2	22%	0.217	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.5	176.7	-61.6	176.9	-171	-177.9	0	108.1	E340 L548 H549 K613	E340-K615 VanDerWaalsContact CD-CE 3.47Å; E340-K615 WeakPolarHBondContact OE1-CE 3.4Å; E340-K615 IonicContact OE1-NZ 3.05Å; E340-K615 PolarHBondContact OE1-NZ 3.46Å; E340-K615 IonicContact OE2-NZ 3.24Å; E340-K615 PolarHBondContact OE2-NZ 3.02Å; L548-K615 HydrophobicContact CB-CB 4.25Å; L548-K615 WeakPolarHBondContact CB-O 3.36Å; L548-K615 PolarHBondContact N-O 2.78Å; H549-K615 PolarHBondContact N-O 3Å; H549-K615 VanDerWaalsContact N-O 3.12Å; H549-K615 PolarHBondContact O-N 3.13Å; K613-K615 PolarHBondContact O-N 3.25Å
616	A	87.4	Confident	87.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.4	166.8	0	0	0	0	0	109.8	V545 L546 I547 F609	V545-A616 HydrophobicContact CG1-CB 3.7Å; L546-A616 VanDerWaalsContact O-CA 3.28Å; L546-A616 WeakPolarHBondContact O-CA 3.35Å; L546-A616 WeakPolarHBondContact O-CB 3.33Å; I547-A616 HydrophobicContact CD1-CB 3.47Å; I547-A616 VanDerWaalsContact CD1-CB 3.47Å; F609-A616 HydrophobicContact CB-CB 4.13Å; F609-A616 HydrophobicContact CD1-CB 3.96Å; F609-A616 PolarHBondContact N-O 3.06Å; F609-A616 PolarHBondContact O-N 3.42Å
617	V	89.3	Confident	86.4	Confident	22 Å²	22	45.2 Å²	45.2	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.2	178.1	-175.6	0	0	0	0	106.4	A347 V545 L546 L548 L607	A347-V617 HydrophobicContact CB-CG1 4.46Å; A347-V617 HydrophobicContact CB-CG2 3.36Å; V545-V617 CarbonylContact C-O 3.45Å; V545-V617 VanDerWaalsContact CA-O 3.31Å; V545-V617 WeakPolarHBondContact CA-O 3.29Å; L546-V617 PolarHBondContact N-O 2.94Å; L546-V617 PolarHBondContact O-N 2.93Å; L548-V617 HydrophobicContact CD1-CG2 3.56Å; L548-V617 HydrophobicContact CG-CG2 4.06Å; L607-V617 WeakPolarHBondContact O-CA 3.04Å
618	G	91.2	Very high	85.1	Confident	2 Å²	2	49 Å²	49	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	166.9	172.5	0	0	0	0	0	113.4	E544 R606 L607	E544-G618 CarbonylContact O-C 3.58Å; E544-G618 WeakPolarHBondContact O-CA 3.41Å; R606-G618 CarbonylContact C-O 3.55Å; R606-G618 WeakPolarHBondContact CA-O 3.49Å; L607-G618 PolarHBondContact N-O 3.42Å; L607-G618 PolarHBondContact O-N 3.21Å
619	T	93.9	Very high	83.5	Confident	38 Å²	38	52.5 Å²	52.5	23%	0.233	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.5	171.8	-58.6	0	0	0	0	108.5	A543 E544 K621	A543-T619 CarbonylContact C-O 3.53Å; A543-T619 VanDerWaalsContact CA-O 3.24Å; A543-T619 WeakPolarHBondContact CA-O 3.34Å; A543-T619 WeakPolarHBondContact CB-O 3.5Å; E544-T619 PolarHBondContact N-O 3.22Å; E544-T619 PolarHBondContact O-N 3.41Å; T619-K621 PolarHBondContact O-N 3.17Å
620	V	95.4	Very high	82.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.3	176.4	179.2	0	0	0	0	109.2	F541 G604 L605 L607 L623	F541-V620 HydrophobicContact CD2-CG2 4.18Å; G604-V620 PolarHBondContact N-O 2.97Å; L605-V620 HydrophobicContact CB-CB 4.43Å; L605-V620 HydrophobicContact CB-CG2 4.23Å; L605-V620 WeakPolarHBondContact O-CG2 3.4Å; L605-V620 PolarHBondContact O-N 3.36Å; L607-V620 HydrophobicContact CD2-CG2 3.94Å; V620-L623 HydrophobicContact CG1-CD2 3.6Å; V620-L623 HydrophobicContact CG1-CG 4.26Å
621	K	95.6	Very high	80.5	Confident	97 Å²	97	58.5 Å²	58.5	42%	0.422	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-40.4	177.9	-64	-64.9	-175	171.1	0	111.9	I542 E544 M589 T603 T619	I542-K621 PolarHBondContact O-N 3.13Å; E544-K621 HydrophobicContact CB-CG 4.12Å; E544-K621 WeakPolarHBondContact OE2-CE 3.47Å; E544-K621 IonicContact OE2-NZ 3.79Å; E544-K621 PolarHBondContact OE2-NZ 3Å; M589-K621 HydrophobicContact CE-CB 3.85Å; M589-K621 HydrophobicContact CE-CG 3.75Å; M589-K621 HydrophobicContact SD-CG 4.21Å; T603-K621 WeakPolarHBondContact CG2-O 3.48Å; T619-K621 PolarHBondContact O-N 3.17Å
622	E	94.9	Very high	78.3	Confident	111 Å²	111	61.6 Å²	61.6	52%	0.519	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.7	-175.9	-165.1	-176.4	155.7	0	0	110.7	F541 I542	F541-E622 WeakPolarHBondContact CA-O 3.45Å; I542-E622 HydrophobicContact CB-CB 4.05Å; I542-E622 HydrophobicContact CD1-CB 4.18Å; I542-E622 WeakPolarHBondContact CD1-OE2 3.44Å; I542-E622 HydrophobicContact CG1-CB 4.16Å; I542-E622 PolarHBondContact N-O 2.93Å; I542-E622 PolarHBondContact O-N 3.43Å
623	L	92.7	Very high	76.8	Confident	52 Å²	52	63.4 Å²	63.4	27%	0.272	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.2	-178.9	-61.1	171.1	0	0	0	109.4	F541 L601 V620 P625	F541-L623 HydrophobicContact CB-CD2 4.01Å; L601-L623 HydrophobicContact CB-CD2 3.62Å; L601-L623 HydrophobicContact CD1-CD2 4.36Å; L601-L623 WeakPolarHBondContact O-CD1 3.37Å; V620-L623 HydrophobicContact CG1-CD2 3.6Å; V620-L623 HydrophobicContact CG1-CG 4.26Å; L623-P625 WeakPolarHBondContact O-CD 3.44Å
624	V	90.7	Very high	75.2	Confident	47 Å²	47	61 Å²	61	29%	0.285	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.2	173	-176.5	0	0	0	0	108.2	C538 E540 Y626	C538-V624 WeakPolarHBondContact CB-O 3.26Å; E540-V624 HydrophobicContact CB-CB 3.81Å; E540-V624 HydrophobicContact CB-CG1 4.37Å; E540-V624 HydrophobicContact CB-CG2 4.02Å; E540-V624 WeakPolarHBondContact O-CB 3.34Å; E540-V624 PolarHBondContact O-N 3.3Å; V624-Y626 PolarHBondContact O-N 3.09Å
625	P	85.3	Confident	73.7	Confident	73 Å²	73	69.9 Å²	69.9	47%	0.474	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	134.7	-179.9	-25.5	35	0	0	0	111.9	K536 L623 S627	K536-P625 HydrophobicContact CD-CB 4.13Å; K536-P625 HydrophobicContact CD-CG 4.32Å; L623-P625 WeakPolarHBondContact O-CD 3.44Å; P625-S627 PolarHBondContact O-N 3.37Å
626	Y	82.1	Confident	71.9	Confident	41 Å²	41	70.3 Å²	70.3	16%	0.161	39%	0.386	C	S	.	.			trans	-67.3	121.2	176.7	178.4	-117.1	0	0	0	110.6	S483 A537 I539 P598 V624 Q631	S483-Y626 WeakPolarHBondContact O-CE1 3.46Å; A537-Y626 WeakPolarHBondContact O-CB 3.47Å; A537-Y626 PolarHBondContact O-N 3.1Å; I539-Y626 HydrophobicContact CB-CD2 4.25Å; I539-Y626 HydrophobicContact CD1-CD2 3.34Å; I539-Y626 HydrophobicContact CD1-CE2 3.16Å; I539-Y626 HydrophobicContact CD1-CG 4.4Å; I539-Y626 HydrophobicContact CG1-CD2 3.56Å; I539-Y626 HydrophobicContact CG1-CE2 3.94Å; I539-Y626 HydrophobicContact CG1-CG 4.33Å; P598-Y626 HydrophobicContact CB-CD1 4.25Å; P598-Y626 HydrophobicContact CB-CD2 4.47Å; P598-Y626 HydrophobicContact CB-CG 4.16Å; P598-Y626 HydrophobicContact CG-CD1 4.49Å; P598-Y626 HydrophobicContact CG-CE1 4.43Å; V624-Y626 PolarHBondContact O-N 3.09Å; Y626-Q631 HydrophobicContact CE2-CG 4.36Å; Y626-Q631 VanDerWaalsContact OH-CD 3.23Å; Y626-Q631 PolarHBondContact OH-OE1 3.48Å
627	S	73.8	Confident	69.4	Low	58 Å²	58	77.5 Å²	77.5	41%	0.406	42%	0.417	S	S	.	.			trans	-109.5	131.4	163.5	175.3	0	0	0	0	108	P625 S629 I630	P625-S627 PolarHBondContact O-N 3.37Å; S627-S629 PolarHBondContact O-N 3.3Å; S627-S629 PolarHBondContact OG-OG 3.34Å; S627-I630 WeakPolarHBondContact O-CB 3.38Å; S627-I630 WeakPolarHBondContact O-CG1 3.48Å; S627-I630 PolarHBondContact O-N 2.74Å
628	A	63.3	Low	66.9	Low	79 Å²	79	80.2 Å²	80.2	65%	0.653	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-55.5	-21.8	-179.6	0	0	0	0	0	113.3	I630 Q631	A628-I630 PolarHBondContact O-N 3.39Å; A628-Q631 PolarHBondContact O-N 3.48Å
629	S	57.5	Low	64.3	Low	80 Å²	80	89.4 Å²	89.4	56%	0.559	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.8	172.9	62.1	0	0	0	0	114	S627 Q631	S627-S629 PolarHBondContact O-N 3.3Å; S627-S629 PolarHBondContact OG-OG 3.34Å; S629-Q631 VanDerWaalsContact C-N 3.29Å; S629-Q631 PolarHBondContact O-N 3.36Å
630	I	58.6	Low	61.7	Low	61 Å²	61	95.6 Å²	95.6	31%	0.313	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-73.7	-19.1	-174	-59.5	172.1	0	0	0	111.9	S627 A628 Q632	S627-I630 WeakPolarHBondContact O-CB 3.38Å; S627-I630 WeakPolarHBondContact O-CG1 3.48Å; S627-I630 PolarHBondContact O-N 2.74Å; A628-I630 PolarHBondContact O-N 3.39Å; I630-Q632 PolarHBondContact O-N 3.28Å; I630-Q632 VanDerWaalsContact O-N 3.09Å
631	Q	51.9	Low	59	Low	100 Å²	100	102.9 Å²	102.9	47%	0.467	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-78.1	13.8	-176.9	-110.4	-173.3	2.3	0	0	115.4	I539 Y626 A628 S629 N633	I539-Q631 HydrophobicContact CD1-CG 4.32Å; Y626-Q631 HydrophobicContact CE2-CG 4.36Å; Y626-Q631 VanDerWaalsContact OH-CD 3.23Å; Y626-Q631 PolarHBondContact OH-OE1 3.48Å; A628-Q631 PolarHBondContact O-N 3.48Å; S629-Q631 VanDerWaalsContact C-N 3.29Å; S629-Q631 PolarHBondContact O-N 3.36Å; Q631-N633 PolarHBondContact O-N 3.01Å
632	Q	38.8	Very low	56.3	Low	163 Å²	163	106.3 Å²	106.3	76%	0.762	53%	0.528	S	S	*	.			trans	-70.4	78.6	171.2	-68.1	-165.9	13.8	0	0	111.3	I630 P634	I630-Q632 PolarHBondContact O-N 3.28Å; I630-Q632 VanDerWaalsContact O-N 3.09Å; Q632-P634 WeakPolarHBondContact O-CD 3.26Å
633	N	44.5	Very low	53.9	Low	97 Å²	97	104.6 Å²	104.6	52%	0.519	53%	0.533	S	S	.	.			trans	-67.4	114.1	177.2	-150.5	-13.5	0	0	0	109.5	Q631 R635 A636	Q631-N633 PolarHBondContact O-N 3.01Å; N633-R635 PolarHBondContact O-N 2.93Å; N633-R635 VanDerWaalsContact O-N 3.1Å; N633-A636 HydrophobicContact CB-CB 4.39Å; N633-A636 PolarHBondContact O-N 3.34Å
634	P	39.4	Very low	51.6	Low	104 Å²	104	106.9 Å²	106.9	68%	0.675	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.5	-179.8	-20.9	32.6	0	0	0	112.7	Q632	Q632-P634 WeakPolarHBondContact O-CD 3.26Å
635	R	42.1	Very low	49.2	Very low	190 Å²	190	108.5 Å²	108.5	72%	0.717	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-20	-178.9	-93.7	-178.8	155.4	143.1	-4.3	115.1	N633 K637 L638 Y639	N633-R635 PolarHBondContact O-N 2.93Å; N633-R635 VanDerWaalsContact O-N 3.1Å; R635-K637 VanDerWaalsContact C-N 3.26Å; R635-K637 PolarHBondContact O-N 3.47Å; R635-L638 PolarHBondContact O-N 3.01Å; R635-L638 VanDerWaalsContact O-N 3.15Å; R635-Y639 PolarHBondContact O-N 3.06Å
636	A	41.5	Very low	46.9	Very low	60 Å²	60	114 Å²	114	50%	0.496	58%	0.579	S	S	.	*	H	α-helix	trans	-69	-27.2	174.9	0	0	0	0	0	112.1	N633 L638 K640	N633-A636 HydrophobicContact CB-CB 4.39Å; N633-A636 PolarHBondContact O-N 3.34Å; A636-L638 VanDerWaalsContact C-N 3.29Å; A636-L638 PolarHBondContact O-N 3.26Å; A636-K640 PolarHBondContact O-N 3.13Å
637	K	35.2	Very low	44.7	Very low	151 Å²	151	117 Å²	117	66%	0.657	60%	0.602	S	S	*	*	H	α-helix	trans	-73.9	-14.2	172.3	-80.6	-177.3	176.8	176	0	114.1	R635 R641	R635-K637 VanDerWaalsContact C-N 3.26Å; R635-K637 PolarHBondContact O-N 3.47Å; K637-R641 PolarHBondContact O-NE 3.15Å
638	L	37	Very low	42.6	Very low	79 Å²	79	122.1 Å²	122.1	41%	0.414	62%	0.624	S	S	.	*	H	α-helix	trans	-89	-42.7	176.8	-91.9	137.4	0	0	0	111.4	R635 A636 K640 R641 Y642	R635-L638 PolarHBondContact O-N 3.01Å; R635-L638 VanDerWaalsContact O-N 3.15Å; A636-L638 VanDerWaalsContact C-N 3.29Å; A636-L638 PolarHBondContact O-N 3.26Å; L638-K640 PolarHBondContact O-N 3.26Å; L638-R641 PolarHBondContact O-N 3.33Å; L638-Y642 HydrophobicContact CD2-CD2 4.4Å; L638-Y642 HydrophobicContact CD2-CE2 3.91Å; L638-Y642 VanDerWaalsContact O-CD2 3.32Å; L638-Y642 WeakPolarHBondContact O-CD2 3.33Å; L638-Y642 PolarHBondContact O-N 3.32Å
639	Y	37.2	Very low	41.2	Very low	196 Å²	196	127.5 Å²	127.5	77%	0.769	64%	0.636	S	S	*	*	H	α-helix	trans	-68.8	-32.2	176.4	-99.6	-88.3	0	0	0	113.6	R635 R641 A643	R635-Y639 PolarHBondContact O-N 3.06Å; Y639-R641 VanDerWaalsContact C-N 3.35Å; Y639-A643 WeakPolarHBondContact O-CB 3Å; Y639-A643 PolarHBondContact O-N 2.65Å; Y639-A643 VanDerWaalsContact O-N 3.12Å
640	K	39	Very low	39.9	Very low	167 Å²	167	129.3 Å²	129.3	73%	0.726	65%	0.646	S	S	*	*	H	α-helix	trans	-67.6	-32.7	171	-108.1	-179.8	177.5	-178.9	0	112.8	A636 L638 T644	A636-K640 PolarHBondContact O-N 3.13Å; L638-K640 PolarHBondContact O-N 3.26Å; K640-T644 WeakPolarHBondContact O-CG2 3.44Å; K640-T644 PolarHBondContact O-N 3.31Å; K640-T644 PolarHBondContact O-OG1 2.92Å
641	R	38.4	Very low	38.7	Very low	155 Å²	155	135.3 Å²	135.3	59%	0.585	68%	0.675	S	S	*	*	H	α-helix	trans	-75.4	-34.7	176.8	-88	-175.7	-76.8	171.7	-5.4	113.4	K637 L638 Y639 T644 S645	K637-R641 PolarHBondContact O-NE 3.15Å; L638-R641 PolarHBondContact O-N 3.33Å; Y639-R641 VanDerWaalsContact C-N 3.35Å; R641-T644 PolarHBondContact O-OG1 2.87Å; R641-S645 VanDerWaalsContact O-CB 3.27Å; R641-S645 WeakPolarHBondContact O-CB 3.19Å; R641-S645 PolarHBondContact O-N 2.86Å; R641-S645 PolarHBondContact O-OG 3.4Å; R641-S645 VanDerWaalsContact O-OG 3.08Å
642	Y	37.9	Very low	37.8	Very low	169 Å²	169	137 Å²	137	66%	0.663	69%	0.687	S	S	*	*	H	α-helix	trans	-78.3	-22.2	176.4	-84.1	-78	0	0	0	113.9	L638	L638-Y642 HydrophobicContact CD2-CD2 4.4Å; L638-Y642 HydrophobicContact CD2-CE2 3.91Å; L638-Y642 VanDerWaalsContact O-CD2 3.32Å; L638-Y642 WeakPolarHBondContact O-CD2 3.33Å; L638-Y642 PolarHBondContact O-N 3.32Å
643	A	44.5	Very low	37.6	Very low	75 Å²	75	136 Å²	136	62%	0.62	69%	0.687	S	S	*	*	H	α-helix	trans	-83.7	-24.4	174.1	0	0	0	0	0	113.3	Y639	Y639-A643 WeakPolarHBondContact O-CB 3Å; Y639-A643 PolarHBondContact O-N 2.65Å; Y639-A643 VanDerWaalsContact O-N 3.12Å
644	T	44.3	Very low	37	Very low	100 Å²	100	137.1 Å²	137.1	61%	0.613	70%	0.698	S	S	*	*	S	Bend	trans	-95.1	-3.9	176.8	52.2	0	0	0	0	114.2	K640 R641	K640-T644 WeakPolarHBondContact O-CG2 3.44Å; K640-T644 PolarHBondContact O-N 3.31Å; K640-T644 PolarHBondContact O-OG1 2.92Å; R641-T644 PolarHBondContact O-OG1 2.87Å
645	S	40.4	Very low	36.8	Very low	81 Å²	81	138.4 Å²	138.4	57%	0.566	70%	0.703	S	S	*	*	S	Bend	trans	-104.3	10.6	-177.4	69.7	0	0	0	0	114.4	R641	R641-S645 VanDerWaalsContact O-CB 3.27Å; R641-S645 WeakPolarHBondContact O-CB 3.19Å; R641-S645 PolarHBondContact O-N 2.86Å; R641-S645 PolarHBondContact O-OG 3.4Å; R641-S645 VanDerWaalsContact O-OG 3.08Å
646	K	37.2	Very low	36.3	Very low	189 Å²	189	134.4 Å²	134.4	82%	0.822	70%	0.7	S	S	*	*	S	Bend	trans	-119.6	14.6	178.3	-89.8	-166.8	174.6	-173.4	0	115
647	T	35.8	Very low	36	Very low	104 Å²	104	137.7 Å²	137.7	64%	0.638	71%	0.709	S	S	*	*	S	Bend	trans	-138.2	79.9	173.6	50	0	0	0	0	107.8
648	N	31	Very low	35.9	Very low	164 Å²	164	138.5 Å²	138.5	88%	0.877	72%	0.715	S	S	*	*			trans	178.5	80.6	162.8	-90.9	-15.9	0	0	0	108.3
649	Q	32.6	Very low	35.8	Very low	193 Å²	193	141.7 Å²	141.7	90%	0.902	73%	0.731	S	S	*	*			trans	-112.9	122.8	151.6	-86.5	-172	-4	0	0	106.6
650	P	30.3	Very low	35.6	Very low	117 Å²	117	141.1 Å²	141.1	76%	0.76	73%	0.733	S	S	*	*			trans	-85.1	130.1	177.4	33.4	-28	0	0	0	108.8
651	M	34.5	Very low	35.2	Very low	187 Å²	187	138.9 Å²	138.9	92%	0.921	73%	0.733	S	S	*	*			trans	-125.5	121.8	160.6	-94	-67	-147.9	0	0	108.2
652	N	32.4	Very low	35.1	Very low	136 Å²	136	139.9 Å²	139.9	73%	0.727	75%	0.749	S	S	*	*			trans	-59.9	138.9	-178.7	-66.3	-30.1	0	0	0	112.1
653	N	35.4	Very low	34.6	Very low	142 Å²	142	139 Å²	139	76%	0.759	76%	0.756	S	S	*	*				161.8	120.9	110.9	-88.6	-19	0	0	0	111
654	T	30.9	Very low	34.2	Very low	121 Å²	121	143.5 Å²	143.5	74%	0.742	77%	0.769	S	S	*	*			trans	25.2	122.4	139.3	47.8	0	0	0	0	118.5
655	V	34.5	Very low	33.5	Very low	131 Å²	131	143.2 Å²	143.2	79%	0.794	77%	0.771	S	S	*	*				-174.7	150.6	89.3	162.6	0	0	0	0	108.5
656	T	32.4	Very low	33	Very low	105 Å²	105	146.9 Å²	146.9	64%	0.644	78%	0.784	S	S	*	*			trans	-55.1	148.4	-174.4	51.3	0	0	0	0	116.3
657	D	34.7	Very low	32.6	Very low	129 Å²	129	144 Å²	144	69%	0.69	78%	0.782	S	S	*	*				170.8	136.1	95.7	-89.8	-43	0	0	0	113.3
658	E	32.5	Very low	32.4	Very low	168 Å²	168	144.5 Å²	144.5	79%	0.785	79%	0.79	S	S	*	*			trans	40	135.4	144.2	-43.9	-170.4	140.8	0	0	120.3
659	I	36.2	Very low	32.5	Very low	147 Å²	147	142 Å²	142	75%	0.754	79%	0.786	S	S	*	*				-169	121.9	57.5	-73.4	176	0	0	0	109.7
660	K	33.1	Very low	32.3	Very low	183 Å²	183	140 Å²	140	80%	0.796	78%	0.779	S	S	*	*			trans	30.2	116.2	132.4	-79.5	174.6	-178.7	170.7	0	123.2
661	T	30.4	Very low	32.4	Very low	121 Å²	121	140.5 Å²	140.5	74%	0.742	78%	0.783	S	S	*	*				56.9	127.7	121.8	54.7	0	0	0	0	122.4
662	L	35.5	Very low	32	Very low	175 Å²	175	140.9 Å²	140.9	92%	0.916	78%	0.78	S	S	*	*				-160.3	112.3	116.1	-97	161.4	0	0	0	110.4
663	N	28.8	Very low	31.9	Very low	151 Å²	151	139.8 Å²	139.8	81%	0.807	78%	0.782	S	S	*	*			trans	-86.4	152.1	166.6	-89.2	-28.3	0	0	0	109.3
664	L	35.6	Very low	31.6	Very low	169 Å²	169	138.8 Å²	138.8	89%	0.885	78%	0.781	S	S	*	*				-166.7	130.6	120.5	-124.7	79.8	0	0	0	112
665	S	29.1	Very low	31.3	Very low	94 Å²	94	140.8 Å²	140.8	66%	0.657	78%	0.783	S	S	*	*			trans	-75.1	159.7	173.1	47.7	0	0	0	0	113.3
666	N	30.8	Very low	31.1	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	79%	0.785	S	S	*	*			trans	-163.7	146.1	130	-98.2	-14.2	0	0	0	114
667	T	28.8	Very low	30.8	Very low	127 Å²	127	146.1 Å²	146.1	78%	0.779	79%	0.786	S	S	*	*			trans	-98.4	179.3	-167.5	43.6	0	0	0	0	114.1
668	S	31.1	Very low	30.5	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	79%	0.79	S	S	*	*			trans	98.6	140.5	164.6	82	0	0	0	0	114.3
669	S	32.4	Very low	30.1	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	79%	0.789	S	S	*	*			cis	-166.5	161.1	13.6	37.5	0	0	0	0	110
670	I	29.1	Very low	29.7	Very low	149 Å²	149	142.2 Å²	142.2	76%	0.764	79%	0.79	S	S	*	*			trans	-89.7	159.1	171.6	-54.9	162.9	0	0	0	108.5
671	P	32.9	Very low	29.5	Very low	128 Å²	128	139.1 Å²	139.1	83%	0.831	79%	0.787	S	S	*	*				-143.3	160.8	105.8	30.5	-11.3	0	0	0	116
672	K	25.4	Very low	29.2	Very low	196 Å²	196	139.5 Å²	139.5	85%	0.852	79%	0.789	S	S	*	*			trans	-82.6	148.1	173.8	-66.5	171.5	172.1	177.4	0	112.1
673	S	29.3	Very low	28.9	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	79%	0.785	S	S	*	*			trans	173.1	145	145.1	55.9	0	0	0	0	106.7
674	T	29.9	Very low	28.8	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	79%	0.786	S	S	*	*			cis	-160.8	143	25.7	-39.5	0	0	0	0	108.2
675	E	25.8	Very low	28.5	Very low	164 Å²	164	136.2 Å²	136.2	77%	0.766	78%	0.784	S	S	*	*			trans	-67.6	144.6	168.3	-69	170.2	143.4	0	0	111.4
676	Y	29.6	Very low	28.3	Very low	217 Å²	217	138.5 Å²	138.5	85%	0.851	79%	0.794	S	S	*	*			trans	-128.7	105.1	153.7	-93.3	-84.7	0	0	0	108.5
677	I	26.5	Very low	28.2	Very low	130 Å²	130	136.6 Å²	136.6	67%	0.667	79%	0.793	S	S	*	*			trans	-86	123.9	164.8	-67.7	169.3	0	0	0	106.6	T679	I677-T679 HydrophobicContact CG2-CG2 4.48Å
678	S	27.7	Very low	28	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	80%	0.797	S	S	*	*			trans	-128.3	91.8	163.1	-52.1	0	0	0	0	108.4
679	T	23.1	Very low	28.1	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	79%	0.787	S	S	*	*			trans	-76.9	123.5	160.5	32.5	0	0	0	0	109.6	I677	I677-T679 HydrophobicContact CG2-CG2 4.48Å
680	T	29.6	Very low	27.8	Very low	128 Å²	128	141 Å²	141	79%	0.785	79%	0.793	S	S	*	*			trans	-150	98.9	155.9	5.2	0	0	0	0	111.1
681	T	28.4	Very low	27.6	Very low	119 Å²	119	139.5 Å²	139.5	73%	0.73	79%	0.791	S	S	*	*				48.4	109.9	125.1	-28.1	0	0	0	0	119.8
682	T	24.5	Very low	27.3	Very low	128 Å²	128	140 Å²	140	79%	0.785	79%	0.792	S	S	*	*			trans	-35.5	127.1	149.4	12	0	0	0	0	114.2
683	T	29.3	Very low	27.3	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	79%	0.793	S	S	*	*			trans	-138.5	124.9	145.8	40.2	0	0	0	0	109.3
684	N	24.8	Very low	27.1	Very low	157 Å²	157	142 Å²	142	84%	0.84	80%	0.796	S	S	*	*			trans	-70.6	129.3	168	-76.1	-28.1	0	0	0	109
685	T	29.8	Very low	26.9	Very low	137 Å²	137	141.1 Å²	141.1	84%	0.84	80%	0.795	S	S	*	*			trans	-144.4	112.2	149.8	40.1	0	0	0	0	110.4
686	T	25.4	Very low	27	Very low	142 Å²	142	141.1 Å²	141.1	87%	0.871	80%	0.801	S	S	*	*			trans	-46.1	130.7	165.6	-39.3	0	0	0	0	113.4
687	S	28.6	Very low	26.9	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	78%	0.783	S	S	*	*			trans	-166.6	108.3	141.9	39.8	0	0	0	0	110.4
688	Q	24.7	Very low	27.1	Very low	184 Å²	184	133.2 Å²	133.2	86%	0.86	78%	0.778	S	S	*	*			trans	-90.1	175.8	153.6	-89	-165.7	-25.7	0	0	107.8
689	P	34.1	Very low	27.5	Very low	91 Å²	91	131.8 Å²	131.8	59%	0.591	76%	0.764	S	S	*	*				-132.9	170.2	-50.2	36.6	-20.6	0	0	0	109.9
690	D	25.1	Very low	27.8	Very low	171 Å²	171	129.6 Å²	129.6	91%	0.914	75%	0.754	S	S	*	*			trans	-136.9	107.8	152.7	-96.8	-31.4	0	0	0	109.8
691	T	25.6	Very low	27.9	Very low	118 Å²	118	128.8 Å²	128.8	72%	0.724	75%	0.745	S	S	*	*			trans	-85.4	117.7	174	39.9	0	0	0	0	109.3
692	T	26.4	Very low	28.1	Very low	139 Å²	139	125.6 Å²	125.6	85%	0.853	72%	0.723	S	S	*	*			trans	-121	97.3	153.3	44.3	0	0	0	0	108.1	L694	T692-L694 PolarHBondContact O-N 3.45Å
693	E	24.4	Very low	28.4	Very low	188 Å²	188	125.4 Å²	125.4	88%	0.879	72%	0.717	S	S	*	*			trans	-63.4	111.7	172.2	-68	-174.5	145	0	0	110
694	L	26.3	Very low	28.3	Very low	162 Å²	162	125.6 Å²	125.6	85%	0.848	72%	0.718	S	S	*	*			trans	-86.7	114.5	155	-83.2	160.7	0	0	0	107.5	T692 N696	T692-L694 PolarHBondContact O-N 3.45Å; L694-N696 PolarHBondContact O-N 3.43Å
695	S	24.6	Very low	28.5	Very low	102 Å²	102	122.9 Å²	122.9	71%	0.713	71%	0.712	S	S	*	*			trans	-51.8	102.1	-177.1	57.6	0	0	0	0	112.3	I697	S695-I697 PolarHBondContact O-N 3.41Å
696	N	28.7	Very low	28.5	Very low	165 Å²	165	122.8 Å²	122.8	88%	0.882	71%	0.706	S	S	*	*			trans	-77.3	96.8	165.8	-84	-44.1	0	0	0	108.9	L694	L694-N696 PolarHBondContact O-N 3.43Å
697	I	28	Very low	28.6	Very low	93 Å²	93	124.3 Å²	124.3	48%	0.477	71%	0.708	S	S	.	*			trans	-68	129.7	173.9	-58.9	170.8	0	0	0	108.7	S695 V699	S695-I697 PolarHBondContact O-N 3.41Å; I697-V699 PolarHBondContact O-N 3.23Å
698	P	30	Very low	28.8	Very low	87 Å²	87	125 Å²	125	57%	0.565	70%	0.702	S	S	*	*			trans	-66.7	132.6	-176.9	26.3	-33.3	0	0	0	111.8	S700	P698-S700 PolarHBondContact O-N 2.63Å
699	V	36.2	Very low	28.9	Very low	79 Å²	79	123.9 Å²	123.9	48%	0.479	70%	0.701	S	S	.	*			trans	-87.8	21.6	-179.8	-172.1	0	0	0	0	110.6	L546 I697 L702	L546-V699 HydrophobicContact CD2-CB 3.98Å; L546-V699 HydrophobicContact CD2-CG1 3.53Å; I697-V699 PolarHBondContact O-N 3.23Å; V699-L702 HydrophobicContact CB-CD1 4.33Å; V699-L702 HydrophobicContact CG1-CD1 3.24Å; V699-L702 WeakPolarHBondContact O-CD1 3.46Å
700	S	30.2	Very low	28.7	Very low	79 Å²	79	124 Å²	124	55%	0.552	71%	0.71	S	S	*	*			trans	-90.7	-5.5	-167.2	49.5	0	0	0	0	116.7	P698 L702	P698-S700 PolarHBondContact O-N 2.63Å; S700-L702 PolarHBondContact O-N 3.22Å
701	D	30	Very low	29	Very low	112 Å²	112	121.8 Å²	121.8	60%	0.599	71%	0.705	S	S	*	*			trans	-100.2	30.6	-179.3	-69.3	-24.3	0	0	0	114.2
702	L	34.1	Very low	29.1	Very low	52 Å²	52	120.4 Å²	120.4	27%	0.272	71%	0.705	S	S	.	*	S	Bend	trans	-87.8	-17.6	-159.9	-118.1	134.9	0	0	0	116	V699 S700	V699-L702 HydrophobicContact CB-CD1 4.33Å; V699-L702 HydrophobicContact CG1-CD1 3.24Å; V699-L702 WeakPolarHBondContact O-CD1 3.46Å; S700-L702 PolarHBondContact O-N 3.22Å
703	L	30.5	Very low	29.3	Very low	124 Å²	124	121.3 Å²	121.3	65%	0.649	71%	0.705	S	S	*	*	S	Bend	trans	-158	66.7	-177.4	-71.4	176	0	0	0	114.3	T584	T584-L703 HydrophobicContact CG2-CD1 4.07Å
704	T	26.8	Very low	29.8	Very low	136 Å²	136	118.1 Å²	118.1	83%	0.834	70%	0.704	S	S	*	*			trans	-143.4	49.6	168	41.3	0	0	0	0	113.3
705	S	28.5	Very low	29.9	Very low	101 Å²	101	122 Å²	122	71%	0.706	71%	0.707	S	S	*	*			trans	-169.9	106.5	159.4	54.9	0	0	0	0	111.4
706	N	30.4	Very low	30.3	Very low	135 Å²	135	126 Å²	126	72%	0.722	71%	0.714	S	S	*	*			trans	158.2	71.1	140.8	-78.1	-14	0	0	0	110.5	I708	N706-I708 HydrophobicContact CB-CG1 4.45Å; N706-I708 PolarHBondContact O-N 3.09Å
707	N	27.3	Very low	30.4	Very low	173 Å²	173	128.9 Å²	128.9	93%	0.925	71%	0.713	S	S	*	*			trans	-72.7	100.7	139.5	-95.6	-19.5	0	0	0	106.1
708	I	32.5	Very low	30.3	Very low	135 Å²	135	133.6 Å²	133.6	69%	0.692	73%	0.73	S	S	*	*			trans	-120.5	114.4	163.7	-62.1	179	0	0	0	107.3	N706	N706-I708 HydrophobicContact CB-CG1 4.45Å; N706-I708 PolarHBondContact O-N 3.09Å
709	N	27.7	Very low	30.3	Very low	159 Å²	159	137.4 Å²	137.4	85%	0.85	74%	0.74	S	S	*	*			trans	-27	126	172.7	-66.5	-34	0	0	0	115.3
710	A	29.5	Very low	29.9	Very low	93 Å²	93	141 Å²	141	77%	0.769	75%	0.751	S	S	*	*			trans	-107.1	133	146.7	0	0	0	0	0	107.4
711	P	31.2	Very low	29.8	Very low	126 Å²	126	148 Å²	148	82%	0.818	77%	0.767	S	S	*	*			trans	-72.7	142.1	-169.6	30.5	-34.1	0	0	0	111.6	N713	P711-N713 PolarHBondContact O-N 2.97Å
712	A	27.4	Very low	29.9	Very low	88 Å²	88	150.8 Å²	150.8	73%	0.727	78%	0.776	S	S	*	*			trans	-62.9	125.8	169.9	0	0	0	0	0	110.7
713	N	32.1	Very low	29.7	Very low	159 Å²	159	160.1 Å²	160.1	85%	0.85	81%	0.808	S	S	*	*			trans	176.2	104.6	138.6	-92.2	-22.9	0	0	0	111	P711	P711-N713 PolarHBondContact O-N 2.97Å
714	S	32.8	Very low	29.9	Very low	121 Å²	121	161 Å²	161	85%	0.846	82%	0.818	S	S	*	*				173	104.5	128.7	43	0	0	0	0	109.5
715	R	29.3	Very low	30.1	Very low	244 Å²	244	165.8 Å²	165.8	92%	0.921	82%	0.821	S	S	*	*			trans	-58.2	130.2	161.7	-73.6	169	161.3	173.7	-5.7	108.3
716	Q	32.7	Very low	30.6	Very low	185 Å²	185	170 Å²	170	86%	0.864	83%	0.827	S	S	*	*			trans	-167.6	112.7	131.9	-105.3	168.1	20.9	0	0	113.3
717	R	30.4	Very low	30.9	Very low	226 Å²	226	170 Å²	170	85%	0.853	83%	0.827	S	S	*	*			trans	48.2	105	141.8	-69.5	-176.9	167.6	178.2	-4.1	120
718	K	26.3	Very low	31.4	Very low	191 Å²	191	168.8 Å²	168.8	83%	0.83	82%	0.819	S	S	*	*			trans	-61.8	130.3	151.7	-69.3	175	175.7	176.2	0	110.3
719	H	30.9	Very low	31.8	Very low	168 Å²	168	168.3 Å²	168.3	78%	0.778	82%	0.822	S	S	*	*			trans	-112.3	118.7	151.5	-92.8	-74.6	0	0	0	109.1
720	H	26.9	Very low	32.5	Very low	154 Å²	154	173.6 Å²	173.6	71%	0.713	84%	0.841	S	S	*	*			trans	-69.5	137.3	164	-89.2	23.7	0	0	0	109.2
721	Y	28.7	Very low	32.6	Very low	227 Å²	227	177.6 Å²	177.6	89%	0.89	85%	0.845	S	S	*	*			trans	-123.9	107.9	155.6	-109.8	-88.2	0	0	0	109.4
722	H	32.1	Very low	32.7	Very low	170 Å²	170	180.3 Å²	180.3	79%	0.787	85%	0.847	S	S	*	*			trans	-69.6	136.8	166.8	-108.1	-51.3	0	0	0	109.3
723	R	29.6	Very low	33	Very low	248 Å²	248	185.4 Å²	185.4	94%	0.936	85%	0.853	S	S	*	*			trans	-90.6	111.6	175.3	-158.6	179.9	-168.1	-176.7	3.5	108.3
724	T	34.8	Very low	33.1	Very low	141 Å²	141	187 Å²	187	87%	0.865	85%	0.853	S	S	*	*			trans	-111.7	137.1	166	9.2	0	0	0	0	109.5
725	R	31.3	Very low	33.1	Very low	237 Å²	237	191.1 Å²	191.1	89%	0.894	85%	0.854	S	S	*	*			trans	-105.2	131.9	-175.7	-166.7	-172.6	-167.1	-171.9	2.4	107.4
726	K	39	Very low	33.3	Very low	191 Å²	191	187.6 Å²	187.6	83%	0.83	85%	0.849	S	S	*	*			trans	177.3	104.8	158.9	-101.1	173.2	-178.5	-170.6	0	105.6
727	D	37.3	Very low	33.4	Very low	135 Å²	135	187.8 Å²	187.8	72%	0.722	85%	0.848	S	S	*	*				84.4	125.1	82.5	-80.8	-18.8	0	0	0	112.8
728	I	37.8	Very low	33.6	Very low	147 Å²	147	184.8 Å²	184.8	75%	0.754	85%	0.848	S	S	*	*			trans	94.4	104.5	145	-62.6	158.1	0	0	0	118.8
729	T	39.7	Very low	34.2	Very low	124 Å²	124	184.3 Å²	184.3	76%	0.761	85%	0.849	S	S	*	*			trans	46.1	118.6	137.6	64.9	0	0	0	0	122
730	E	42.7	Very low	34.5	Very low	270 Å²	270	185.8 Å²	185.8	100%	1.262	86%	0.856	S	S	*	*				-148.7	0	103.6	-104	180	-179.3	0	0	109.1

Retrieved 730 of 730 residues in 132.5 ms (Link to these results)

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