A0A6I9KSZ3_PERMB Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A6I9KSZ3, Species PERMB (Peromyscus maniculatus bairdii, Prairie deer mouse), Gene Smad4, Length 552 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	37.1	Very low	50.6	Low	229 Å²	229	127.9 Å²	127.9	100%	1.128	70%	0.701	S	S	*	*				0	113.3	0	-69.8	-174.9	179.4	0	0	105.3
2	D	30.6	Very low	53.8	Low	154 Å²	154	118.3 Å²	118.3	82%	0.824	65%	0.649	S	S	*	*				-100.6	150.6	-122.8	-55.9	-65.8	0	0	0	115.1	M4	D2-M4 PolarHBondContact O-N 2.67Å
3	N	34.4	Very low	56.5	Low	154 Å²	154	118 Å²	118	82%	0.824	65%	0.647	S	S	*	*			trans	-81.6	101.8	-172.6	-168.8	36.7	0	0	0	109.7	S5	N3-S5 PolarHBondContact O-N 3.49Å
4	M	32.5	Very low	58.9	Low	194 Å²	194	114.6 Å²	114.6	96%	0.956	63%	0.628	S	S	*	*			trans	-85.2	90.4	170.8	-87.2	-164.6	177.6	0	0	111.3	D2	D2-M4 PolarHBondContact O-N 2.67Å
5	S	34.1	Very low	61.1	Low	87 Å²	87	111.1 Å²	111.1	61%	0.608	62%	0.62	S	S	*	*			trans	-58.6	146.9	168.4	51.9	0	0	0	0	114.1	N3	N3-S5 PolarHBondContact O-N 3.49Å
6	I	42.1	Very low	63	Low	143 Å²	143	107 Å²	107	73%	0.733	60%	0.6	S	S	*	*			trans	38.8	95.7	145.7	-50.9	170.5	0	0	0	114.8	N8	I6-N8 PolarHBondContact O-N 3.45Å
7	T	44.8	Very low	64.7	Low	142 Å²	142	108.6 Å²	108.6	87%	0.871	61%	0.606	S	S	*	*			trans	-71.9	94.5	166.1	51.8	0	0	0	0	109.8	T9	T7-T9 PolarHBondContact O-N 3.35Å
8	N	60.2	Low	66.2	Low	137 Å²	137	106.2 Å²	106.2	73%	0.733	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-49.9	136.4	163.7	-78.6	-22.9	0	0	0	109.6	I6	I6-N8 PolarHBondContact O-N 3.45Å
9	T	70.6	Confident	67.7	Low	91 Å²	91	100.7 Å²	100.7	56%	0.558	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-56.2	123.7	165.7	-50.1	0	0	0	0	107.8	T7 I58 T62	T7-T9 PolarHBondContact O-N 3.35Å; T9-I58 HydrophobicContact CG2-CG2 4.2Å; T9-T62 HydrophobicContact CG2-CG2 4.22Å
10	P	81.9	Confident	69.2	Low	19 Å²	19	96.1 Å²	96.1	12%	0.123	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-66.1	158.7	-177.3	25.2	-31.7	0	0	0	111.1	D14 S22 I58	P10-D14 WeakPolarHBondContact CA-OD2 3.5Å; P10-S22 WeakPolarHBondContact CG-OG 3.46Å; P10-I58 HydrophobicContact CG-CG2 4.04Å; P10-I58 VanDerWaalsContact O-CG2 3.32Å; P10-I58 WeakPolarHBondContact O-CG2 3.45Å
11	T	88.8	Confident	70.3	Confident	57 Å²	57	97.8 Å²	97.8	35%	0.35	55%	0.545	S	S	.	.			trans	-122.2	167.7	179.4	66.6	0	0	0	0	110.1	N13 D14 I19 D55	T11-N13 PolarHBondContact O-N 3.46Å; T11-N13 PolarHBondContact OG1-N 2.94Å; T11-D14 PolarHBondContact N-OD2 2.71Å; T11-D14 WeakPolarHBondContact O-CB 3.32Å; T11-D14 PolarHBondContact O-N 3.34Å; T11-D14 PolarHBondContact OG1-OD2 3.16Å; T11-I19 WeakPolarHBondContact O-CD1 3.33Å; T11-D55 WeakPolarHBondContact CA-OD1 3.47Å
12	S	88.6	Confident	73.1	Confident	12 Å²	12	88 Å²	88	8%	0.084	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.9	173.5	66.5	0	0	0	0	114.5	K51 D55	S12-K51 WeakPolarHBondContact OG-CB 3.39Å; S12-D55 VanDerWaalsContact CB-CG 3.49Å; S12-D55 WeakPolarHBondContact CB-OD1 3.37Å; S12-D55 WeakPolarHBondContact CB-OD2 3.46Å; S12-D55 PolarHBondContact N-OD1 2.73Å; S12-D55 VanDerWaalsContact OG-CG 3.29Å; S12-D55 PolarHBondContact OG-OD1 3Å; S12-D55 PolarHBondContact OG-OD2 2.93Å
13	N	88.6	Confident	76.2	Confident	115 Å²	115	80.7 Å²	80.7	62%	0.615	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-15.1	173.9	-62.4	-57.4	0	0	0	113.4	T11 K51	T11-N13 PolarHBondContact O-N 3.46Å; T11-N13 PolarHBondContact OG1-N 2.94Å; N13-K51 PolarHBondContact OD1-NZ 3.22Å
14	D	90.6	Very high	79.1	Confident	71 Å²	71	74.6 Å²	74.6	38%	0.38	43%	0.426	S	S	.	.	S	Bend	trans	-72.9	159.8	179.8	-72	-62.8	0	0	0	112.6	P10 T11 C16 I19	P10-D14 WeakPolarHBondContact CA-OD2 3.5Å; T11-D14 PolarHBondContact N-OD2 2.71Å; T11-D14 WeakPolarHBondContact O-CB 3.32Å; T11-D14 PolarHBondContact O-N 3.34Å; T11-D14 PolarHBondContact OG1-OD2 3.16Å; D14-C16 PolarHBondContact O-N 3.08Å; D14-I19 HydrophobicContact CB-CD1 4.41Å; D14-I19 HydrophobicContact CB-CG1 4.06Å
15	A	91.2	Very high	82.1	Confident	62 Å²	62	69.6 Å²	69.6	51%	0.512	41%	0.41	S	S	.	.			trans	-57.7	134.5	175.5	0	0	0	0	0	110.5	L17 S18 I19	A15-L17 PolarHBondContact O-N 3.13Å; A15-S18 WeakPolarHBondContact O-CA 3.39Å; A15-S18 WeakPolarHBondContact O-CB 3.28Å; A15-S18 PolarHBondContact O-N 3.18Å; A15-I19 PolarHBondContact O-N 3.16Å
16	C	91.6	Very high	85	Confident	45 Å²	45	68.7 Å²	68.7	30%	0.304	40%	0.396	S	S	.	.	H	α-helix	trans	-54.9	-30.3	-176.3	-56.5	0	0	0	0	113.1	D14 V20 V44	D14-C16 PolarHBondContact O-N 3.08Å; C16-V20 WeakPolarHBondContact O-CB 3.46Å; C16-V20 WeakPolarHBondContact O-CG2 3.48Å; C16-V20 PolarHBondContact O-N 3.15Å; C16-V44 HydrophobicContact CB-CG1 3.92Å
17	L	91.8	Very high	87.5	Confident	135 Å²	135	66.1 Å²	66.1	71%	0.707	38%	0.377	S	S	*	.	H	α-helix	trans	-65.6	-39.7	174.6	-66.2	175.6	0	0	0	112.6	A15 V20 H21	A15-L17 PolarHBondContact O-N 3.13Å; L17-V20 PolarHBondContact O-N 2.98Å; L17-H21 WeakPolarHBondContact O-CB 3.32Å; L17-H21 PolarHBondContact O-N 3.3Å
18	S	93.1	Very high	89.6	Confident	65 Å²	65	63.8 Å²	63.8	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-42.6	175.9	-51.2	0	0	0	0	111.4	A15 H21 S22	A15-S18 WeakPolarHBondContact O-CA 3.39Å; A15-S18 WeakPolarHBondContact O-CB 3.28Å; A15-S18 PolarHBondContact O-N 3.18Å; S18-H21 PolarHBondContact O-N 3.1Å; S18-S22 PolarHBondContact O-N 2.91Å
19	I	94.4	Very high	90.2	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-46.8	175.5	-57.4	174.2	0	0	0	110.4	T11 D14 A15 H21 S22 L23 V44 L54 I58	T11-I19 WeakPolarHBondContact O-CD1 3.33Å; D14-I19 HydrophobicContact CB-CD1 4.41Å; D14-I19 HydrophobicContact CB-CG1 4.06Å; A15-I19 PolarHBondContact O-N 3.16Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 2.91Å; I19-S22 PolarHBondContact O-N 3.29Å; I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.17Å; I19-V44 HydrophobicContact CB-CG1 4.33Å; I19-V44 HydrophobicContact CG2-CG1 4.22Å; I19-V44 HydrophobicContact CG2-CG2 3.96Å; I19-L54 HydrophobicContact CD1-CD2 3.98Å; I19-L54 HydrophobicContact CG2-CD1 4.27Å; I19-I58 HydrophobicContact CD1-CD1 4.34Å; I19-I58 HydrophobicContact CG1-CD1 4.35Å; I19-I58 HydrophobicContact CG2-CD1 3.85Å; I19-I58 HydrophobicContact CG2-CG1 3.96Å
20	V	96.4	Very high	90.6	Very high	9 Å²	9	57.4 Å²	57.4	6%	0.055	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-43.9	175	168.1	0	0	0	0	111.1	C16 L17 L23 M24 I40 E41 V44	C16-V20 WeakPolarHBondContact O-CB 3.46Å; C16-V20 WeakPolarHBondContact O-CG2 3.48Å; C16-V20 PolarHBondContact O-N 3.15Å; L17-V20 PolarHBondContact O-N 2.98Å; V20-L23 PolarHBondContact O-N 2.98Å; V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.15Å; V20-M24 VanDerWaalsContact O-CG 3.24Å; V20-M24 WeakPolarHBondContact O-CG 3.49Å; V20-M24 PolarHBondContact O-N 3.33Å; V20-I40 HydrophobicContact CB-CG2 4.27Å; V20-I40 HydrophobicContact CG1-CG2 4.2Å; V20-I40 HydrophobicContact CG2-CG2 4.07Å; V20-E41 HydrophobicContact CG1-CG 3.97Å; V20-E41 HydrophobicContact CG2-CG 4.09Å; V20-V44 HydrophobicContact CG2-CB 4.11Å; V20-V44 HydrophobicContact CG2-CG1 4.42Å; V20-V44 HydrophobicContact CG2-CG2 3.98Å
21	H	93.9	Very high	90.9	Very high	132 Å²	132	57.8 Å²	57.8	61%	0.611	34%	0.341	S	S	*	.	H	α-helix	trans	-62.1	-47.7	179	-175.8	-86.6	0	0	0	111.8	L17 S18 I19 M24 C25	L17-H21 WeakPolarHBondContact O-CB 3.32Å; L17-H21 PolarHBondContact O-N 3.3Å; S18-H21 PolarHBondContact O-N 3.1Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 2.91Å; H21-M24 WeakPolarHBondContact O-CB 3.23Å; H21-M24 PolarHBondContact O-N 2.77Å; H21-C25 PolarHBondContact O-N 2.99Å; H21-C25 PolarHBondContact O-SG 2.87Å; H21-C25 VanDerWaalsContact O-SG 3.35Å
22	S	95.2	Very high	91	Very high	23 Å²	23	58 Å²	58	16%	0.161	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-50.3	175.6	171.6	0	0	0	0	111.9	P10 S18 I19 M24 C25 H26	P10-S22 WeakPolarHBondContact CG-OG 3.46Å; S18-S22 PolarHBondContact O-N 2.91Å; I19-S22 PolarHBondContact O-N 3.29Å; S22-M24 PolarHBondContact O-N 3.49Å; S22-C25 WeakPolarHBondContact O-CB 3.04Å; S22-C25 PolarHBondContact O-N 2.87Å; S22-H26 PolarHBondContact O-CD2 2.92Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å
23	L	96	Very high	91.2	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-27.2	179.3	-70.8	177.9	0	0	0	113.4	I19 V20 I40 V44 L57 I61 W99	I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.17Å; V20-L23 PolarHBondContact O-N 2.98Å; L23-I40 HydrophobicContact CB-CD1 4.28Å; L23-I40 HydrophobicContact CB-CG2 3.79Å; L23-I40 HydrophobicContact CD1-CG2 3.91Å; L23-V44 HydrophobicContact CD1-CG2 3.83Å; L23-L57 HydrophobicContact CD1-CD2 4.15Å; L23-I61 HydrophobicContact CD2-CB 3.71Å; L23-I61 HydrophobicContact CD2-CG1 3.89Å; L23-I61 HydrophobicContact CD2-CG2 3.78Å; L23-W99 HydrophobicContact CB-CZ2 4.13Å; L23-W99 HydrophobicContact CD1-CZ2 4.4Å; L23-W99 HydrophobicContact CD2-CZ2 4.41Å; L23-W99 PolarHBondContact O-NE1 2.72Å
24	M	95.6	Very high	91.3	Very high	25 Å²	25	62.9 Å²	62.9	12%	0.123	37%	0.37	C	S	.	.	H	α-helix	trans	-69.6	-29.6	172.8	-82.6	-70	-65.5	0	0	113.1	V20 H21 S22 H26 R27 E33 A36 K37 I40	V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.15Å; V20-M24 VanDerWaalsContact O-CG 3.24Å; V20-M24 WeakPolarHBondContact O-CG 3.49Å; V20-M24 PolarHBondContact O-N 3.33Å; H21-M24 WeakPolarHBondContact O-CB 3.23Å; H21-M24 PolarHBondContact O-N 2.77Å; S22-M24 PolarHBondContact O-N 3.49Å; M24-H26 PolarHBondContact O-N 3.49Å; M24-R27 WeakPolarHBondContact O-CD 3.5Å; M24-R27 VanDerWaalsContact O-CG 3.29Å; M24-R27 WeakPolarHBondContact O-CG 3.36Å; M24-E33 HydrophobicContact CE-CG 3.71Å; M24-A36 HydrophobicContact CE-CB 4.35Å; M24-A36 HydrophobicContact SD-CB 4.03Å; M24-K37 HydrophobicContact CE-CB 4.17Å; M24-K37 HydrophobicContact SD-CB 4.07Å; M24-I40 HydrophobicContact CG-CD1 3.82Å; M24-I40 HydrophobicContact SD-CD1 3.58Å; M24-I40 VanDerWaalsContact SD-CD1 3.58Å
25	C	95	Very high	91.5	Very high	90 Å²	90	60.1 Å²	60.1	61%	0.608	36%	0.355	S	S	*	.	H	α-helix	trans	-67.9	-22.7	177.7	-63.9	0	0	0	0	113.2	H21 S22	H21-C25 PolarHBondContact O-N 2.99Å; H21-C25 PolarHBondContact O-SG 2.87Å; H21-C25 VanDerWaalsContact O-SG 3.35Å; S22-C25 WeakPolarHBondContact O-CB 3.04Å; S22-C25 PolarHBondContact O-N 2.87Å
26	H	94.5	Very high	91.7	Very high	68 Å²	68	57.3 Å²	57.3	32%	0.315	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	12.3	-177.7	-63.7	-82	0	0	0	114	S22 M24 I61	S22-H26 PolarHBondContact O-CD2 2.92Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å; M24-H26 PolarHBondContact O-N 3.49Å; H26-I61 HydrophobicContact CB-CG2 3.45Å; H26-I61 VanDerWaalsContact CB-CG2 3.45Å
27	R	94.1	Very high	91.9	Very high	89 Å²	89	59.9 Å²	59.9	34%	0.336	34%	0.337	S	S	.	.			trans	-75.1	140.3	179.7	74.1	-172.2	177.7	78.3	-1.9	111.8	M24 G29 L98	M24-R27 WeakPolarHBondContact O-CD 3.5Å; M24-R27 VanDerWaalsContact O-CG 3.29Å; M24-R27 WeakPolarHBondContact O-CG 3.36Å; R27-G29 VanDerWaalsContact C-N 3.33Å; R27-G29 PolarHBondContact O-N 3.2Å; R27-L98 WeakPolarHBondContact CA-O 3.17Å
28	Q	88.6	Confident	92.1	Very high	92 Å²	92	61 Å²	61	43%	0.43	33%	0.332	S	S	.	.			trans	-86.9	3.7	-175.6	-57.6	-64.7	-13.9	0	0	114.6	L98 W99 P102	Q28-L98 PolarHBondContact N-O 3.24Å; Q28-W99 WeakPolarHBondContact CG-O 3.14Å; Q28-W99 PolarHBondContact NE2-O 3.39Å; Q28-W99 VanDerWaalsContact NE2-O 3.1Å; Q28-P102 HydrophobicContact CB-CB 4.46Å; Q28-P102 HydrophobicContact CB-CG 4.17Å
29	G	74.6	Confident	92.3	Very high	24 Å²	24	57.9 Å²	57.9	25%	0.247	31%	0.31	C	S	.	.	S	Bend	trans	86.2	-153.7	-172.1	0	0	0	0	0	112.9	R27 E31	R27-G29 VanDerWaalsContact C-N 3.33Å; R27-G29 PolarHBondContact O-N 3.2Å; G29-E31 PolarHBondContact O-N 2.95Å
30	G	78.9	Confident	92.4	Very high	70 Å²	70	57.9 Å²	57.9	72%	0.722	31%	0.31	S	S	*	.	S	Bend	trans	75.8	-43.4	-180	0	0	0	0	0	115.8
31	E	86.6	Confident	92.4	Very high	28 Å²	28	60 Å²	60	13%	0.131	32%	0.319	C	S	.	.	S	Bend	trans	-102.3	149.3	177.1	-63.5	-69.6	-176	0	0	111.9	G29 F35 R87 R97	G29-E31 PolarHBondContact O-N 2.95Å; E31-F35 HydrophobicContact CB-CD1 4.15Å; E31-F35 HydrophobicContact CG-CD1 4.47Å; E31-F35 HydrophobicContact CG-CE1 4.48Å; E31-R87 IonicContact OE2-CZ 3.49Å; E31-R87 IonicContact OE2-NH1 3.56Å; E31-R87 PolarHBondContact OE2-NH1 2.84Å; E31-R87 IonicContact OE2-NH2 3.63Å; E31-R87 PolarHBondContact OE2-NH2 2.8Å; E31-R97 HydrophobicContact CG-CG 4.49Å; E31-R97 WeakPolarHBondContact OE1-CD 3.46Å; E31-R97 IonicContact OE1-CZ 3.22Å; E31-R97 IonicContact OE1-NE 2.84Å; E31-R97 IonicContact OE1-NH1 2.65Å; E31-R97 PolarHBondContact OE1-NH1 2.78Å
32	S	91.5	Very high	92.6	Very high	61 Å²	61	55.7 Å²	55.7	43%	0.427	30%	0.304	S	S	.	.			trans	-63.1	142.6	-179.5	66	0	0	0	0	112.2	T34 F35 A36	S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 3.42Å; S32-F35 PolarHBondContact O-N 3.12Å; S32-F35 WeakPolarHBondContact OG-CB 3.26Å; S32-A36 PolarHBondContact O-N 2.91Å
33	E	92.1	Very high	92.7	Very high	120 Å²	120	54.7 Å²	54.7	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-57.7	-39.6	-176.8	-168.9	-173.3	137.6	0	0	112.5	M24 F35 A36 K37	M24-E33 HydrophobicContact CE-CG 3.71Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 2.94Å; E33-A36 PolarHBondContact O-N 2.86Å; E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 PolarHBondContact O-N 2.83Å
34	T	90.9	Very high	92.7	Very high	110 Å²	110	54.7 Å²	54.7	68%	0.675	30%	0.297	S	S	*	.	H	α-helix	trans	-62.1	-39.5	176.6	53.1	0	0	0	0	112.3	S32 R38	S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 3.42Å; T34-R38 WeakPolarHBondContact O-CG 3.44Å; T34-R38 PolarHBondContact O-N 3.41Å
35	F	95	Very high	92.7	Very high	13 Å²	13	61.6 Å²	61.6	6%	0.057	33%	0.326	C	S	.	.	H	α-helix	trans	-71.1	-46.1	173.7	175	-91.4	0	0	0	111.6	E31 S32 E33 K37 R38 A39 V84 A85 R87 I94	E31-F35 HydrophobicContact CB-CD1 4.15Å; E31-F35 HydrophobicContact CG-CD1 4.47Å; E31-F35 HydrophobicContact CG-CE1 4.48Å; S32-F35 PolarHBondContact O-N 3.12Å; S32-F35 WeakPolarHBondContact OG-CB 3.26Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 2.94Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.25Å; F35-R38 PolarHBondContact O-N 3.16Å; F35-R38 VanDerWaalsContact O-N 3.15Å; F35-A39 HydrophobicContact CE1-CB 4.45Å; F35-A39 PolarHBondContact O-N 2.84Å; F35-V84 HydrophobicContact CD2-CB 4.35Å; F35-V84 HydrophobicContact CD2-CG1 4.06Å; F35-V84 HydrophobicContact CE2-CB 3.66Å; F35-V84 HydrophobicContact CE2-CG1 3.83Å; F35-V84 WeakPolarHBondContact CE2-O 3.39Å; F35-V84 HydrophobicContact CZ-CB 4.07Å; F35-V84 HydrophobicContact CZ-CG1 4.3Å; F35-A85 HydrophobicContact CD2-CB 4.19Å; F35-R87 VanDerWaalsContact CE1-NH2 3.31Å; F35-R87 HydrophobicContact CE2-CB 4.25Å; F35-R87 VanDerWaalsContact CE2-NH2 3.29Å; F35-I94 HydrophobicContact CE1-CG2 4.32Å; F35-I94 HydrophobicContact CZ-CG2 4.27Å
36	A	95.8	Very high	92.7	Very high	2 Å²	2	62 Å²	62	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-47.8	-178.5	0	0	0	0	0	111.3	M24 S32 E33 R38 A39 I40 L98	M24-A36 HydrophobicContact CE-CB 4.35Å; M24-A36 HydrophobicContact SD-CB 4.03Å; S32-A36 PolarHBondContact O-N 2.91Å; E33-A36 PolarHBondContact O-N 2.86Å; A36-R38 PolarHBondContact O-N 2.91Å; A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.49Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.25Å; A36-L98 HydrophobicContact CB-CD1 3.78Å
37	K	95.5	Very high	92.8	Very high	100 Å²	100	58.8 Å²	58.8	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-58.1	-48	175	-176.4	170.4	-180	172.6	0	111.8	M24 E33 F35 A39 I40 E41	M24-K37 HydrophobicContact CE-CB 4.17Å; M24-K37 HydrophobicContact SD-CB 4.07Å; E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 PolarHBondContact O-N 2.83Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.25Å; K37-A39 VanDerWaalsContact C-N 3.33Å; K37-A39 PolarHBondContact O-N 2.84Å; K37-I40 PolarHBondContact O-N 3.4Å; K37-E41 WeakPolarHBondContact CE-OE1 3.47Å; K37-E41 HydrophobicContact CG-CG 4.32Å; K37-E41 WeakPolarHBondContact CG-OE1 3.39Å; K37-E41 VanDerWaalsContact O-CB 3.31Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 VanDerWaalsContact O-CG 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.3Å; K37-E41 PolarHBondContact O-N 3.32Å
38	R	96.3	Very high	92.7	Very high	158 Å²	158	59.9 Å²	59.9	60%	0.596	31%	0.31	S	S	*	.	H	α-helix	trans	-63.7	-34.2	177.6	-69.2	-66.7	-165.5	174.9	6	113.2	T34 F35 A36 E41 S42 V84	T34-R38 WeakPolarHBondContact O-CG 3.44Å; T34-R38 PolarHBondContact O-N 3.41Å; F35-R38 PolarHBondContact O-N 3.16Å; F35-R38 VanDerWaalsContact O-N 3.15Å; A36-R38 PolarHBondContact O-N 2.91Å; R38-E41 IonicContact NH1-OE2 3.54Å; R38-S42 VanDerWaalsContact O-CB 3.31Å; R38-S42 WeakPolarHBondContact O-CB 3.25Å; R38-S42 PolarHBondContact O-N 3Å; R38-S42 VanDerWaalsContact O-N 3.07Å; R38-V84 HydrophobicContact CB-CG1 4.08Å
39	A	97	Very high	92.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.6	-50	175.5	0	0	0	0	0	110.9	F35 A36 K37 S42 L43 V84 Y95	F35-A39 HydrophobicContact CE1-CB 4.45Å; F35-A39 PolarHBondContact O-N 2.84Å; A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.49Å; K37-A39 VanDerWaalsContact C-N 3.33Å; K37-A39 PolarHBondContact O-N 2.84Å; A39-S42 PolarHBondContact O-N 2.83Å; A39-L43 PolarHBondContact O-N 3.17Å; A39-V84 HydrophobicContact CB-CG1 4.01Å; A39-Y95 HydrophobicContact CB-CE1 4.21Å; A39-Y95 PolarHBondContact O-OH 3.23Å
40	I	97.6	Very high	94	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.7	-44.8	179.5	-61.6	172.2	0	0	0	110.8	V20 L23 M24 A36 K37 S42 L43 V44 L98 W99	V20-I40 HydrophobicContact CB-CG2 4.27Å; V20-I40 HydrophobicContact CG1-CG2 4.2Å; V20-I40 HydrophobicContact CG2-CG2 4.07Å; L23-I40 HydrophobicContact CB-CD1 4.28Å; L23-I40 HydrophobicContact CB-CG2 3.79Å; L23-I40 HydrophobicContact CD1-CG2 3.91Å; M24-I40 HydrophobicContact CG-CD1 3.82Å; M24-I40 HydrophobicContact SD-CD1 3.58Å; M24-I40 VanDerWaalsContact SD-CD1 3.58Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.25Å; K37-I40 PolarHBondContact O-N 3.4Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.76Å; I40-L43 PolarHBondContact O-N 3.22Å; I40-L43 VanDerWaalsContact O-N 3.14Å; I40-V44 HydrophobicContact CG2-CG2 4.04Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 2.89Å; I40-L98 HydrophobicContact CD1-CD2 3.52Å; I40-L98 HydrophobicContact CG1-CD2 3.61Å; I40-W99 HydrophobicContact CD1-CZ2 3.85Å; I40-W99 HydrophobicContact CG1-CH2 4.13Å; I40-W99 HydrophobicContact CG1-CZ2 3.68Å
41	E	96.9	Very high	94.7	Very high	54 Å²	54	67 Å²	67	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-54.8	-43.5	173.3	-76.5	173.4	178.7	0	0	111.8	V20 K37 R38 K45	V20-E41 HydrophobicContact CG1-CG 3.97Å; V20-E41 HydrophobicContact CG2-CG 4.09Å; K37-E41 WeakPolarHBondContact CE-OE1 3.47Å; K37-E41 HydrophobicContact CG-CG 4.32Å; K37-E41 WeakPolarHBondContact CG-OE1 3.39Å; K37-E41 VanDerWaalsContact O-CB 3.31Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 VanDerWaalsContact O-CG 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.3Å; K37-E41 PolarHBondContact O-N 3.32Å; R38-E41 IonicContact NH1-OE2 3.54Å; E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 2.84Å; E41-K45 VanDerWaalsContact O-N 3.07Å
42	S	96.3	Very high	95.1	Very high	42 Å²	42	70.5 Å²	70.5	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-41.1	177.3	-162.9	0	0	0	0	112.1	R38 A39 I40 K46	R38-S42 VanDerWaalsContact O-CB 3.31Å; R38-S42 WeakPolarHBondContact O-CB 3.25Å; R38-S42 PolarHBondContact O-N 3Å; R38-S42 VanDerWaalsContact O-N 3.07Å; A39-S42 PolarHBondContact O-N 2.83Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.76Å; S42-K46 WeakPolarHBondContact O-CD 3.15Å; S42-K46 VanDerWaalsContact O-CG 3.25Å; S42-K46 WeakPolarHBondContact O-CG 3.49Å; S42-K46 PolarHBondContact O-N 2.96Å
43	L	97.6	Very high	95.4	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-51.8	179.4	-173.8	58.4	0	0	0	112	A39 I40 K45 K46 L47 L57 I74 Y95 W99 V128	A39-L43 PolarHBondContact O-N 3.17Å; I40-L43 PolarHBondContact O-N 3.22Å; I40-L43 VanDerWaalsContact O-N 3.14Å; L43-K45 PolarHBondContact O-N 2.94Å; L43-K46 WeakPolarHBondContact O-CA 3.26Å; L43-K46 WeakPolarHBondContact O-CB 3.25Å; L43-K46 PolarHBondContact O-N 3.27Å; L43-L47 HydrophobicContact CD1-CD1 3.83Å; L43-L47 HydrophobicContact CD1-CG 4.05Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.78Å; L43-L47 HydrophobicContact CG-CG 4.35Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.89Å; L43-L57 HydrophobicContact CD2-CD1 4.46Å; L43-L57 HydrophobicContact CD2-CD2 3.59Å; L43-L57 HydrophobicContact CG-CD2 4.12Å; L43-I74 HydrophobicContact CD1-CG2 3.56Å; L43-Y95 HydrophobicContact CB-CE1 3.92Å; L43-Y95 HydrophobicContact CD1-CE2 4.35Å; L43-Y95 HydrophobicContact CD2-CD1 3.92Å; L43-Y95 HydrophobicContact CD2-CE1 3.74Å; L43-Y95 HydrophobicContact CD2-CE2 4.39Å; L43-Y95 HydrophobicContact CD2-CG 4.33Å; L43-Y95 HydrophobicContact CG-CE1 4.33Å; L43-W99 HydrophobicContact CD2-CH2 3.89Å; L43-W99 HydrophobicContact CD2-CZ3 4.08Å; L43-V128 HydrophobicContact CD1-CG2 3.86Å; L43-V128 HydrophobicContact CD2-CG2 4.28Å
44	V	97.3	Very high	95.6	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-39.5	178.2	175	0	0	0	0	110.4	C16 I19 V20 L23 I40 K46 L47 K48 L54	C16-V44 HydrophobicContact CB-CG1 3.92Å; I19-V44 HydrophobicContact CB-CG1 4.33Å; I19-V44 HydrophobicContact CG2-CG1 4.22Å; I19-V44 HydrophobicContact CG2-CG2 3.96Å; V20-V44 HydrophobicContact CG2-CB 4.11Å; V20-V44 HydrophobicContact CG2-CG1 4.42Å; V20-V44 HydrophobicContact CG2-CG2 3.98Å; L23-V44 HydrophobicContact CD1-CG2 3.83Å; I40-V44 HydrophobicContact CG2-CG2 4.04Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 2.89Å; V44-K46 PolarHBondContact O-N 3.08Å; V44-L47 PolarHBondContact O-N 3.07Å; V44-K48 PolarHBondContact O-N 3.12Å; V44-L54 HydrophobicContact CG1-CD1 4.47Å; V44-L54 HydrophobicContact CG2-CD1 4.4Å
45	K	95.8	Very high	95.9	Very high	170 Å²	170	60.8 Å²	60.8	74%	0.739	28%	0.277	S	S	*	.	H	α-helix	trans	-63.9	-37.4	173.9	-174.3	175	-179.7	178.2	0	113.1	E41 L43	E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 2.84Å; E41-K45 VanDerWaalsContact O-N 3.07Å; L43-K45 PolarHBondContact O-N 2.94Å
46	K	94.9	Very high	96	Very high	99 Å²	99	60.9 Å²	60.9	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-71.5	-30.1	176.2	-75.9	164.1	177.3	-76.1	0	113	S42 L43 V44 I74	S42-K46 WeakPolarHBondContact O-CD 3.15Å; S42-K46 VanDerWaalsContact O-CG 3.25Å; S42-K46 WeakPolarHBondContact O-CG 3.49Å; S42-K46 PolarHBondContact O-N 2.96Å; L43-K46 WeakPolarHBondContact O-CA 3.26Å; L43-K46 WeakPolarHBondContact O-CB 3.25Å; L43-K46 PolarHBondContact O-N 3.27Å; V44-K46 PolarHBondContact O-N 3.08Å; K46-I74 HydrophobicContact CD-CG2 4.27Å
47	L	96.7	Very high	96	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-93.9	-4.2	-177.9	-62.9	175.6	0	0	0	113.9	L43 V44 E49 K50 E53 L54 L57 V72	L43-L47 HydrophobicContact CD1-CD1 3.83Å; L43-L47 HydrophobicContact CD1-CG 4.05Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.78Å; L43-L47 HydrophobicContact CG-CG 4.35Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.89Å; V44-L47 PolarHBondContact O-N 3.07Å; L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 3.01Å; L47-K50 HydrophobicContact CD2-CD 4.36Å; L47-K50 CarbonylContact O-C 3.52Å; L47-K50 WeakPolarHBondContact O-CA 3.41Å; L47-K50 PolarHBondContact O-N 3.4Å; L47-E53 HydrophobicContact CD2-CB 4.22Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.36Å; L47-L54 HydrophobicContact CB-CB 4.16Å; L47-L54 HydrophobicContact CB-CD1 4.17Å; L47-L54 HydrophobicContact CD1-CD1 4.29Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; L47-V72 HydrophobicContact CD1-CG1 3.42Å; L47-V72 VanDerWaalsContact CD1-CG1 3.42Å; L47-V72 HydrophobicContact CD2-CG1 4Å; L47-V72 HydrophobicContact CG-CG1 4.36Å
48	K	92	Very high	96	Very high	113 Å²	113	56.1 Å²	56.1	49%	0.491	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.7	-175.8	-168.4	-172.6	176.6	-164.7	0	113.5	V44 K50	V44-K48 PolarHBondContact O-N 3.12Å; K48-K50 PolarHBondContact O-N 2.63Å
49	E	92.8	Very high	96	Very high	166 Å²	166	51.2 Å²	51.2	78%	0.776	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	1.3	177.6	-50.3	-51	133.5	0	0	113	L47	L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 3.01Å
50	K	95.9	Very high	96	Very high	69 Å²	69	51.2 Å²	51.2	30%	0.3	25%	0.246	S	C	.	.			trans	-123.8	63.2	-179.1	-59.7	-168.9	-177.8	-176.1	0	111	L47 K48 D52 E53 L54 T73	L47-K50 HydrophobicContact CD2-CD 4.36Å; L47-K50 CarbonylContact O-C 3.52Å; L47-K50 WeakPolarHBondContact O-CA 3.41Å; L47-K50 PolarHBondContact O-N 3.4Å; K48-K50 PolarHBondContact O-N 2.63Å; K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.7Å; K50-E53 HydrophobicContact CB-CB 4.11Å; K50-E53 HydrophobicContact CB-CG 4.27Å; K50-E53 HydrophobicContact CD-CG 4.2Å; K50-E53 WeakPolarHBondContact CD-OE2 3.25Å; K50-E53 IonicContact NZ-OE1 3.02Å; K50-E53 PolarHBondContact NZ-OE1 3.23Å; K50-E53 VanDerWaalsContact NZ-OE1 3.13Å; K50-E53 IonicContact NZ-OE2 2.92Å; K50-E53 PolarHBondContact NZ-OE2 3.33Å; K50-E53 VanDerWaalsContact NZ-OE2 3.15Å; K50-E53 PolarHBondContact O-N 2.89Å; K50-L54 PolarHBondContact O-N 3.08Å; K50-T73 PolarHBondContact NZ-O 3.3Å; K50-T73 PolarHBondContact NZ-OG1 2.81Å
51	K	94.4	Very high	95.9	Very high	100 Å²	100	51.3 Å²	51.3	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-48.7	-48.8	-173.5	-72.7	-166.3	174.5	-174.1	0	114	S12 N13 E53 L54 D55	S12-K51 WeakPolarHBondContact OG-CB 3.39Å; N13-K51 PolarHBondContact OD1-NZ 3.22Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 2.8Å; K51-L54 CarbonylContact O-C 3.58Å; K51-L54 WeakPolarHBondContact O-CA 3.45Å; K51-L54 WeakPolarHBondContact O-CB 3.36Å; K51-L54 PolarHBondContact O-N 3.35Å; K51-D55 PolarHBondContact O-N 2.85Å
52	D	96	Very high	95.8	Very high	102 Å²	102	50.5 Å²	50.5	55%	0.545	25%	0.245	S	C	.	.	H	α-helix	trans	-53.5	-40.9	175.4	-80	32.7	0	0	0	114.6	K50 S56 K70	K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.7Å; D52-S56 VanDerWaalsContact O-CB 3.29Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.34Å; D52-S56 PolarHBondContact O-OG 3.33Å; D52-K70 IonicContact OD2-NZ 3.22Å; D52-K70 PolarHBondContact OD2-NZ 3.03Å
53	E	97.2	Very high	95.7	Very high	37 Å²	37	50.5 Å²	50.5	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-75	-34.2	177.3	-65.4	-169.6	-172.8	0	0	111	L47 K50 K51 S56 L57 V72 T73	L47-E53 HydrophobicContact CD2-CB 4.22Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.36Å; K50-E53 HydrophobicContact CB-CB 4.11Å; K50-E53 HydrophobicContact CB-CG 4.27Å; K50-E53 HydrophobicContact CD-CG 4.2Å; K50-E53 WeakPolarHBondContact CD-OE2 3.25Å; K50-E53 IonicContact NZ-OE1 3.02Å; K50-E53 PolarHBondContact NZ-OE1 3.23Å; K50-E53 VanDerWaalsContact NZ-OE1 3.13Å; K50-E53 IonicContact NZ-OE2 2.92Å; K50-E53 PolarHBondContact NZ-OE2 3.33Å; K50-E53 VanDerWaalsContact NZ-OE2 3.15Å; K50-E53 PolarHBondContact O-N 2.89Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 2.8Å; E53-S56 PolarHBondContact O-N 3.12Å; E53-L57 WeakPolarHBondContact O-CB 3.09Å; E53-L57 PolarHBondContact O-N 2.8Å; E53-V72 WeakPolarHBondContact O-CG2 3.43Å; E53-T73 PolarHBondContact OE1-OG1 2.98Å; E53-T73 WeakPolarHBondContact OE2-CA 3.38Å; E53-T73 PolarHBondContact OE2-N 3.44Å; E53-T73 PolarHBondContact OE2-OG1 3.49Å
54	L	96.9	Very high	95.4	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-43.8	176.3	-174.6	54.6	0	0	0	111.7	I19 V44 L47 K50 K51 S56 L57 I58	I19-L54 HydrophobicContact CD1-CD2 3.98Å; I19-L54 HydrophobicContact CG2-CD1 4.27Å; V44-L54 HydrophobicContact CG1-CD1 4.47Å; V44-L54 HydrophobicContact CG2-CD1 4.4Å; L47-L54 HydrophobicContact CB-CB 4.16Å; L47-L54 HydrophobicContact CB-CD1 4.17Å; L47-L54 HydrophobicContact CD1-CD1 4.29Å; K50-L54 PolarHBondContact O-N 3.08Å; K51-L54 CarbonylContact O-C 3.58Å; K51-L54 WeakPolarHBondContact O-CA 3.45Å; K51-L54 WeakPolarHBondContact O-CB 3.36Å; K51-L54 PolarHBondContact O-N 3.35Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-L57 WeakPolarHBondContact O-CB 3.31Å; L54-L57 PolarHBondContact O-N 3.17Å; L54-I58 HydrophobicContact CG-CD1 4.29Å; L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.49Å; L54-I58 PolarHBondContact O-N 3.2Å
55	D	95.8	Very high	95.1	Very high	47 Å²	47	56.7 Å²	56.7	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-38.2	172.6	-74.9	-47.1	0	0	0	111.7	T11 S12 K51 L57 I58 T59	T11-D55 WeakPolarHBondContact CA-OD1 3.47Å; S12-D55 VanDerWaalsContact CB-CG 3.49Å; S12-D55 WeakPolarHBondContact CB-OD1 3.37Å; S12-D55 WeakPolarHBondContact CB-OD2 3.46Å; S12-D55 PolarHBondContact N-OD1 2.73Å; S12-D55 VanDerWaalsContact OG-CG 3.29Å; S12-D55 PolarHBondContact OG-OD1 3Å; S12-D55 PolarHBondContact OG-OD2 2.93Å; K51-D55 PolarHBondContact O-N 2.85Å; D55-L57 VanDerWaalsContact C-N 3.35Å; D55-I58 PolarHBondContact O-N 2.79Å; D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.47Å; D55-T59 PolarHBondContact O-N 2.91Å; D55-T59 PolarHBondContact O-OG1 2.88Å
56	S	96.8	Very high	94.8	Very high	15 Å²	15	52.1 Å²	52.1	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-39.4	173.2	-62.4	0	0	0	0	111.9	D52 E53 L54 A60 K70	D52-S56 VanDerWaalsContact O-CB 3.29Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.34Å; D52-S56 PolarHBondContact O-OG 3.33Å; E53-S56 PolarHBondContact O-N 3.12Å; L54-S56 VanDerWaalsContact C-N 3.33Å; S56-A60 WeakPolarHBondContact O-CB 3.3Å; S56-A60 PolarHBondContact O-N 3.39Å; S56-K70 WeakPolarHBondContact OG-CB 3.22Å
57	L	97.3	Very high	94.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-50.9	174.2	179.2	65	0	0	0	111	L23 L43 L47 E53 L54 D55 T59 A60 I61 V72 W99	L23-L57 HydrophobicContact CD1-CD2 4.15Å; L43-L57 HydrophobicContact CD2-CD1 4.46Å; L43-L57 HydrophobicContact CD2-CD2 3.59Å; L43-L57 HydrophobicContact CG-CD2 4.12Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; E53-L57 WeakPolarHBondContact O-CB 3.09Å; E53-L57 PolarHBondContact O-N 2.8Å; L54-L57 WeakPolarHBondContact O-CB 3.31Å; L54-L57 PolarHBondContact O-N 3.17Å; D55-L57 VanDerWaalsContact C-N 3.35Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 3.16Å; L57-A60 PolarHBondContact O-N 3.29Å; L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CD1-CG1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.42Å; L57-I61 PolarHBondContact O-N 3.4Å; L57-V72 HydrophobicContact CB-CG1 4Å; L57-V72 HydrophobicContact CB-CG2 3.82Å; L57-V72 HydrophobicContact CD1-CG1 4.31Å; L57-V72 HydrophobicContact CD1-CG2 4.41Å; L57-V72 HydrophobicContact CD2-CG1 4.39Å; L57-V72 HydrophobicContact CG-CG1 4.46Å; L57-W99 HydrophobicContact CD1-CH2 4.43Å; L57-W99 HydrophobicContact CD1-CZ3 4.26Å
58	I	95.7	Very high	93.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-52.6	-179.4	-64.2	162	0	0	0	109.2	T9 P10 I19 L54 D55 A60 I61 T62	T9-I58 HydrophobicContact CG2-CG2 4.2Å; P10-I58 HydrophobicContact CG-CG2 4.04Å; P10-I58 VanDerWaalsContact O-CG2 3.32Å; P10-I58 WeakPolarHBondContact O-CG2 3.45Å; I19-I58 HydrophobicContact CD1-CD1 4.34Å; I19-I58 HydrophobicContact CG1-CD1 4.35Å; I19-I58 HydrophobicContact CG2-CD1 3.85Å; I19-I58 HydrophobicContact CG2-CG1 3.96Å; L54-I58 HydrophobicContact CG-CD1 4.29Å; L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.49Å; L54-I58 PolarHBondContact O-N 3.2Å; D55-I58 PolarHBondContact O-N 2.79Å; I58-A60 VanDerWaalsContact C-N 3.35Å; I58-A60 PolarHBondContact O-N 2.87Å; I58-I61 PolarHBondContact O-N 3.31Å; I58-T62 HydrophobicContact CG2-CG2 3.85Å; I58-T62 WeakPolarHBondContact O-CB 3.46Å; I58-T62 WeakPolarHBondContact O-CG2 3.49Å; I58-T62 PolarHBondContact O-N 2.83Å; I58-T62 PolarHBondContact O-OG1 2.67Å
59	T	95.1	Very high	94	Very high	56 Å²	56	54.5 Å²	54.5	34%	0.344	30%	0.304	S	S	.	.	H	α-helix	trans	-55.1	-48	177.9	-54	0	0	0	0	111.8	D55 L57 I61 T63	D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.47Å; D55-T59 PolarHBondContact O-N 2.91Å; D55-T59 PolarHBondContact O-OG1 2.88Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 3.16Å; T59-I61 VanDerWaalsContact C-N 3.35Å; T59-I61 PolarHBondContact O-N 3.06Å; T59-T63 HydrophobicContact CG2-CG2 4.23Å; T59-T63 WeakPolarHBondContact O-CB 3.2Å; T59-T63 WeakPolarHBondContact O-CG2 3.41Å; T59-T63 PolarHBondContact O-N 2.85Å; T59-T63 PolarHBondContact O-OG1 3.36Å
60	A	96.4	Very high	94.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-41.4	-178.8	0	0	0	0	0	112.5	S56 L57 I58 N64 G65 S69 Y131	S56-A60 WeakPolarHBondContact O-CB 3.3Å; S56-A60 PolarHBondContact O-N 3.39Å; L57-A60 PolarHBondContact O-N 3.29Å; I58-A60 VanDerWaalsContact C-N 3.35Å; I58-A60 PolarHBondContact O-N 2.87Å; A60-N64 PolarHBondContact O-N 2.99Å; A60-G65 PolarHBondContact O-N 3.36Å; A60-S69 WeakPolarHBondContact CB-OG 3.45Å; A60-Y131 HydrophobicContact CB-CD2 4.01Å; A60-Y131 WeakPolarHBondContact O-CE2 3.23Å
61	I	96.8	Very high	94.2	Very high	2 Å²	2	50 Å²	50	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-75.1	-48.4	179.9	-60.9	-44.8	0	0	0	111.8	L23 H26 L57 I58 T59 T63 N64 W99 P130 Y131	L23-I61 HydrophobicContact CD2-CB 3.71Å; L23-I61 HydrophobicContact CD2-CG1 3.89Å; L23-I61 HydrophobicContact CD2-CG2 3.78Å; H26-I61 HydrophobicContact CB-CG2 3.45Å; H26-I61 VanDerWaalsContact CB-CG2 3.45Å; L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CD1-CG1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.42Å; L57-I61 PolarHBondContact O-N 3.4Å; I58-I61 PolarHBondContact O-N 3.31Å; T59-I61 VanDerWaalsContact C-N 3.35Å; T59-I61 PolarHBondContact O-N 3.06Å; I61-T63 VanDerWaalsContact C-N 3.34Å; I61-T63 PolarHBondContact O-N 3.07Å; I61-N64 PolarHBondContact O-N 2.82Å; I61-W99 HydrophobicContact CD1-CB 3.82Å; I61-W99 HydrophobicContact CD1-CD2 3.54Å; I61-W99 HydrophobicContact CD1-CE3 3.78Å; I61-W99 HydrophobicContact CD1-CG 3.57Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.33Å; I61-W99 HydrophobicContact CG1-CG 4.2Å; I61-W99 HydrophobicContact CG1-CZ2 4.44Å; I61-W99 HydrophobicContact CG2-CG 4.17Å; I61-P130 HydrophobicContact CD1-CG 3.54Å; I61-Y131 HydrophobicContact CD1-CE2 4.06Å
62	T	94.4	Very high	94.4	Very high	36 Å²	36	45.2 Å²	45.2	22%	0.221	26%	0.263	C	S	.	.	H	α-helix	trans	-70.7	-29	-174.5	60	0	0	0	0	113	T9 I58	T9-T62 HydrophobicContact CG2-CG2 4.22Å; I58-T62 HydrophobicContact CG2-CG2 3.85Å; I58-T62 WeakPolarHBondContact O-CB 3.46Å; I58-T62 WeakPolarHBondContact O-CG2 3.49Å; I58-T62 PolarHBondContact O-N 2.83Å; I58-T62 PolarHBondContact O-OG1 2.67Å
63	T	93.4	Very high	94.5	Very high	43 Å²	43	40.6 Å²	40.6	26%	0.264	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.7	174.7	68.8	0	0	0	0	113.7	T59 I61 G65 A66	T59-T63 HydrophobicContact CG2-CG2 4.23Å; T59-T63 WeakPolarHBondContact O-CB 3.2Å; T59-T63 WeakPolarHBondContact O-CG2 3.41Å; T59-T63 PolarHBondContact O-N 2.85Å; T59-T63 PolarHBondContact O-OG1 3.36Å; I61-T63 VanDerWaalsContact C-N 3.34Å; I61-T63 PolarHBondContact O-N 3.07Å; T63-G65 PolarHBondContact O-N 3.2Å; T63-G65 VanDerWaalsContact O-N 3.14Å; T63-A66 VanDerWaalsContact O-CB 3.23Å; T63-A66 WeakPolarHBondContact O-CB 3.28Å; T63-A66 PolarHBondContact O-N 3.17Å
64	N	92.1	Very high	94.5	Very high	104 Å²	104	39.2 Å²	39.2	56%	0.556	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	34.5	-176.6	-156.8	60.2	0	0	0	113.5	A60 I61 Y131	A60-N64 PolarHBondContact O-N 2.99Å; I61-N64 PolarHBondContact O-N 2.82Å; N64-Y131 VanDerWaalsContact C-CE1 3.44Å; N64-Y131 WeakPolarHBondContact CA-OH 3.31Å; N64-Y131 VanDerWaalsContact O-CE1 3.25Å; N64-Y131 WeakPolarHBondContact O-CE1 3.46Å; N64-Y131 PolarHBondContact OD1-OH 3.4Å
65	G	91.5	Very high	94.5	Very high	28 Å²	28	45.2 Å²	45.2	29%	0.289	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	9.5	-177.9	0	0	0	0	0	116.3	A60 T63 H67	A60-G65 PolarHBondContact O-N 3.36Å; T63-G65 PolarHBondContact O-N 3.2Å; T63-G65 VanDerWaalsContact O-N 3.14Å; G65-H67 PolarHBondContact O-N 2.98Å; G65-H67 VanDerWaalsContact O-N 3.09Å
66	A	89.3	Confident	94.4	Very high	74 Å²	74	45.5 Å²	45.5	61%	0.612	26%	0.258	S	S	*	.			trans	-62	-17	-178.4	0	0	0	0	0	114.4	T63	T63-A66 VanDerWaalsContact O-CB 3.23Å; T63-A66 WeakPolarHBondContact O-CB 3.28Å; T63-A66 PolarHBondContact O-N 3.17Å
67	H	85.1	Confident	94.2	Very high	114 Å²	114	47.7 Å²	47.7	53%	0.528	27%	0.271	S	S	.	.	S	Bend	trans	-125	140.9	176.3	-60.7	-34.4	0	0	0	112	G65 S69	G65-H67 PolarHBondContact O-N 2.98Å; G65-H67 VanDerWaalsContact O-N 3.09Å; H67-S69 PolarHBondContact O-N 3.05Å
68	P	87.9	Confident	93.8	Very high	128 Å²	128	56.9 Å²	56.9	83%	0.831	32%	0.319	S	S	*	.			trans	-55.5	129.8	172.3	-24.9	34.4	0	0	0	111.6
69	S	93.6	Very high	93.5	Very high	19 Å²	19	59.9 Å²	59.9	13%	0.133	34%	0.335	C	S	.	.			trans	-124.8	154	-176.9	47.7	0	0	0	0	111.1	A60 H67 N129 H132	A60-S69 WeakPolarHBondContact CB-OG 3.45Å; H67-S69 PolarHBondContact O-N 3.05Å; S69-N129 PolarHBondContact OG-ND2 2.75Å; S69-H132 PolarHBondContact O-CE1 2.82Å; S69-H132 PolarHBondContact O-NE2 3.3Å
70	K	95.8	Very high	93.3	Very high	123 Å²	123	57.6 Å²	57.6	54%	0.535	32%	0.323	S	S	.	.			trans	-69.9	167.2	177.6	-58.3	179.4	-177.9	175.2	0	111.3	D52 S56 N129 H132	D52-K70 IonicContact OD2-NZ 3.22Å; D52-K70 PolarHBondContact OD2-NZ 3.03Å; S56-K70 WeakPolarHBondContact OG-CB 3.22Å; K70-N129 PolarHBondContact O-ND2 3.49Å; K70-N129 VanDerWaalsContact O-ND2 3.1Å; K70-H132 PolarHBondContact O-CE1 2.84Å; K70-H132 PolarHBondContact O-NE2 3.08Å
71	C	97.5	Very high	93.1	Very high	17 Å²	17	62.8 Å²	62.8	12%	0.115	34%	0.343	C	S	.	.			trans	-63	137.1	170.3	-69.3	0	0	0	0	109.5	T73 Y117 C127 H132	C71-T73 HydrophobicContact CB-CG2 3.85Å; C71-Y117 HydrophobicContact CB-CD2 3.85Å; C71-C127 HydrophobicContact CB-CB 4.47Å; C71-H132 VanDerWaalsContact CA-CE1 3.49Å; C71-H132 WeakPolarHBondContact CA-CE1 3.35Å; C71-H132 PolarHBondContact N-CE1 2.9Å; C71-H132 VanDerWaalsContact N-CE1 3.34Å; C71-H132 VanDerWaalsContact SG-CE1 3.59Å; C71-H132 PolarHBondContact SG-ND1 2.87Å
72	V	98.1	Very high	92.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.346	C	S	.	.			trans	-110.3	112.5	174.9	179.6	0	0	0	0	106.6	L47 E53 L57 C127 V128 N129	L47-V72 HydrophobicContact CD1-CG1 3.42Å; L47-V72 VanDerWaalsContact CD1-CG1 3.42Å; L47-V72 HydrophobicContact CD2-CG1 4Å; L47-V72 HydrophobicContact CG-CG1 4.36Å; E53-V72 WeakPolarHBondContact O-CG2 3.43Å; L57-V72 HydrophobicContact CB-CG1 4Å; L57-V72 HydrophobicContact CB-CG2 3.82Å; L57-V72 HydrophobicContact CD1-CG1 4.31Å; L57-V72 HydrophobicContact CD1-CG2 4.41Å; L57-V72 HydrophobicContact CD2-CG1 4.39Å; L57-V72 HydrophobicContact CG-CG1 4.46Å; V72-C127 CarbonylContact O-C 3.5Å; V72-C127 VanDerWaalsContact O-CA 3.26Å; V72-C127 WeakPolarHBondContact O-CA 3.32Å; V72-V128 HydrophobicContact CB-CG2 4.41Å; V72-V128 HydrophobicContact CG1-CG2 4.03Å; V72-V128 WeakPolarHBondContact O-CG2 3.36Å; V72-V128 PolarHBondContact O-N 3.15Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.89Å
73	T	97.8	Very high	92.9	Very high	6 Å²	6	67 Å²	67	4%	0.037	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.2	-160	73.8	0	0	0	0	114.1	K50 E53 C71 Y117 V126	K50-T73 PolarHBondContact NZ-O 3.3Å; K50-T73 PolarHBondContact NZ-OG1 2.81Å; E53-T73 PolarHBondContact OE1-OG1 2.98Å; E53-T73 WeakPolarHBondContact OE2-CA 3.38Å; E53-T73 PolarHBondContact OE2-N 3.44Å; E53-T73 PolarHBondContact OE2-OG1 3.49Å; C71-T73 HydrophobicContact CB-CG2 3.85Å; T73-Y117 HydrophobicContact CG2-CD2 3.76Å; T73-Y117 HydrophobicContact CG2-CE2 4.49Å; T73-Y117 HydrophobicContact CG2-CG 3.8Å; T73-V126 WeakPolarHBondContact CA-O 3.38Å
74	I	97.1	Very high	92.9	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.4	171.5	68.5	171.7	0	0	0	110.9	L43 K46 R76 L82 P91 Y95 S125 V126 V128	L43-I74 HydrophobicContact CD1-CG2 3.56Å; K46-I74 HydrophobicContact CD-CG2 4.27Å; I74-R76 PolarHBondContact O-N 2.83Å; I74-L82 HydrophobicContact CD1-CD2 4.16Å; I74-P91 HydrophobicContact CD1-CB 3.72Å; I74-Y95 HydrophobicContact CD1-CE2 4.48Å; I74-S125 CarbonylContact O-C 3.53Å; I74-S125 WeakPolarHBondContact O-CA 3.45Å; I74-V126 PolarHBondContact N-O 3.18Å; I74-V126 PolarHBondContact O-N 3.49Å; I74-V128 HydrophobicContact CD1-CG1 3.97Å; I74-V128 HydrophobicContact CG1-CG1 3.96Å; I74-V128 HydrophobicContact CG2-CG2 4.28Å
75	Q	96.4	Very high	92.7	Very high	128 Å²	128	63.8 Å²	63.8	60%	0.598	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	131.5	175.5	-168.3	64.8	36.7	0	0	111.6	D124	Q75-D124 PolarHBondContact NE2-O 2.99Å; Q75-D124 VanDerWaalsContact NE2-O 3.1Å
76	R	94.6	Very high	92.4	Very high	53 Å²	53	65.2 Å²	65.2	20%	0.2	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-68.2	132.9	171	-177	174.3	-68	-95.3	3.2	110	I74 F119 C123 D124 V126	I74-R76 PolarHBondContact O-N 2.83Å; R76-F119 PolarHBondContact NH2-O 3.4Å; R76-C123 WeakPolarHBondContact CD-O 3.35Å; R76-C123 PolarHBondContact NE-O 3.17Å; R76-D124 WeakPolarHBondContact CB-O 3.44Å; R76-D124 PolarHBondContact N-O 3.15Å; R76-V126 HydrophobicContact CB-CG2 3.99Å; R76-V126 HydrophobicContact CG-CG2 4.29Å
77	T	92.4	Very high	92.4	Very high	61 Å²	61	67 Å²	67	37%	0.374	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-83.6	155.8	168	50.1	0	0	0	0	110.7	D79 G80 R81	T77-D79 PolarHBondContact O-N 3.44Å; T77-D79 VanDerWaalsContact O-N 3.17Å; T77-D79 PolarHBondContact OG1-OD1 2.81Å; T77-G80 WeakPolarHBondContact O-CA 3.17Å; T77-G80 PolarHBondContact O-N 3.35Å; T77-G80 PolarHBondContact OG1-N 2.93Å; T77-R81 PolarHBondContact OG1-N 2.94Å; T77-R81 PolarHBondContact OG1-O 2.92Å
78	L	88.9	Confident	92.8	Very high	194 Å²	194	67.2 Å²	67.2	100%	1.016	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.5	-179	-64	174.9	0	0	0	113.6
79	D	88.8	Confident	93.1	Very high	63 Å²	63	62.1 Å²	62.1	34%	0.337	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	7	176.7	77.1	-19.4	0	0	0	113.7	T77 R81 K88	T77-D79 PolarHBondContact O-N 3.44Å; T77-D79 VanDerWaalsContact O-N 3.17Å; T77-D79 PolarHBondContact OG1-OD1 2.81Å; D79-R81 PolarHBondContact O-N 2.85Å; D79-R81 VanDerWaalsContact O-N 3.1Å; D79-R81 PolarHBondContact OD1-N 3.33Å; D79-R81 VanDerWaalsContact OD1-N 3.1Å; D79-R81 IonicContact OD2-CZ 3.72Å; D79-R81 VanDerWaalsContact OD2-CZ 3.23Å; D79-R81 IonicContact OD2-NE 3.78Å; D79-R81 PolarHBondContact OD2-NE 3.1Å; D79-R81 IonicContact OD2-NH2 2.81Å; D79-R81 PolarHBondContact OD2-NH2 2.83Å; D79-K88 IonicContact OD2-NZ 2.83Å
80	G	90.7	Very high	93.2	Very high	9 Å²	9	64.1 Å²	64.1	9%	0.093	33%	0.334	C	S	.	.	S	Bend	trans	66.3	2.7	-177.9	0	0	0	0	0	115.5	T77 P91 F119	T77-G80 WeakPolarHBondContact O-CA 3.17Å; T77-G80 PolarHBondContact O-N 3.35Å; T77-G80 PolarHBondContact OG1-N 2.93Å; G80-P91 VanDerWaalsContact O-CD 3.28Å; G80-P91 WeakPolarHBondContact O-CD 3.08Å; G80-F119 WeakPolarHBondContact O-CE2 3.47Å
81	R	92.3	Very high	93.2	Very high	109 Å²	109	58.6 Å²	58.6	41%	0.411	31%	0.31	S	S	.	.			trans	-106.6	136.5	-175.6	-64.6	177.3	-63.1	-157.8	-5.2	111.9	T77 D79 G89 F90	T77-R81 PolarHBondContact OG1-N 2.94Å; T77-R81 PolarHBondContact OG1-O 2.92Å; D79-R81 PolarHBondContact O-N 2.85Å; D79-R81 VanDerWaalsContact O-N 3.1Å; D79-R81 PolarHBondContact OD1-N 3.33Å; D79-R81 VanDerWaalsContact OD1-N 3.1Å; D79-R81 IonicContact OD2-CZ 3.72Å; D79-R81 VanDerWaalsContact OD2-CZ 3.23Å; D79-R81 IonicContact OD2-NE 3.78Å; D79-R81 PolarHBondContact OD2-NE 3.1Å; D79-R81 IonicContact OD2-NH2 2.81Å; D79-R81 PolarHBondContact OD2-NH2 2.83Å; R81-G89 CarbonylContact C-O 3.58Å; R81-G89 WeakPolarHBondContact CA-O 3.28Å; R81-F90 HydrophobicContact CG-CD1 4.08Å; R81-F90 HydrophobicContact CG-CE1 3.97Å
82	L	94.3	Very high	93.2	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.1	169.1	-178.3	63.4	0	0	0	109.1	I74 V84 K88 G89 P91 I94 Y95	I74-L82 HydrophobicContact CD1-CD2 4.16Å; L82-V84 HydrophobicContact CD2-CG2 4.05Å; L82-V84 HydrophobicContact CG-CG2 4.01Å; L82-K88 WeakPolarHBondContact O-CA 3.35Å; L82-G89 PolarHBondContact N-O 2.85Å; L82-G89 PolarHBondContact O-N 2.93Å; L82-P91 HydrophobicContact CB-CB 4.05Å; L82-P91 HydrophobicContact CD2-CB 4.23Å; L82-I94 HydrophobicContact CB-CD1 4.14Å; L82-I94 HydrophobicContact CD2-CD1 4.38Å; L82-Y95 HydrophobicContact CD2-CE2 3.73Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.19Å
83	Q	93.7	Very high	93.1	Very high	112 Å²	112	58.6 Å²	58.6	52%	0.523	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.8	171.5	-165.5	172.3	6.9	0	0	110.1	G86 R87 K88	Q83-G86 PolarHBondContact NE2-O 2.74Å; Q83-R87 CarbonylContact C-O 3.6Å; Q83-R87 VanDerWaalsContact CA-O 3.32Å; Q83-R87 WeakPolarHBondContact CA-O 3.15Å; Q83-K88 HydrophobicContact CB-CG 3.99Å; Q83-K88 HydrophobicContact CG-CG 3.85Å
84	V	93.2	Very high	93	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.8	175.3	-178.2	0	0	0	0	108.3	F35 R38 A39 L82 G86 R87	F35-V84 HydrophobicContact CD2-CB 4.35Å; F35-V84 HydrophobicContact CD2-CG1 4.06Å; F35-V84 HydrophobicContact CE2-CB 3.66Å; F35-V84 HydrophobicContact CE2-CG1 3.83Å; F35-V84 WeakPolarHBondContact CE2-O 3.39Å; F35-V84 HydrophobicContact CZ-CB 4.07Å; F35-V84 HydrophobicContact CZ-CG1 4.3Å; R38-V84 HydrophobicContact CB-CG1 4.08Å; A39-V84 HydrophobicContact CB-CG1 4.01Å; L82-V84 HydrophobicContact CD2-CG2 4.05Å; L82-V84 HydrophobicContact CG-CG2 4.01Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 3.33Å; V84-G86 VanDerWaalsContact O-N 3.17Å; V84-R87 PolarHBondContact N-O 2.92Å; V84-R87 PolarHBondContact O-N 3.03Å
85	A	87.6	Confident	93.1	Very high	71 Å²	71	58.8 Å²	58.8	59%	0.587	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.8	50.4	179.2	0	0	0	0	0	113.5	F35 R87	F35-A85 HydrophobicContact CD2-CB 4.19Å; A85-R87 VanDerWaalsContact C-N 3.27Å; A85-R87 PolarHBondContact O-N 2.96Å
86	G	85.8	Confident	93.1	Very high	58 Å²	58	52.7 Å²	52.7	60%	0.598	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-31.7	-179.5	0	0	0	0	0	115.4	Q83 V84	Q83-G86 PolarHBondContact NE2-O 2.74Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 3.33Å; V84-G86 VanDerWaalsContact O-N 3.17Å
87	R	89.8	Confident	93.1	Very high	112 Å²	112	53.3 Å²	53.3	42%	0.423	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	135.6	-176.7	-57.6	-168.4	-63.3	167.5	4	111.9	E31 F35 Q83 V84 A85	E31-R87 IonicContact OE2-CZ 3.49Å; E31-R87 IonicContact OE2-NH1 3.56Å; E31-R87 PolarHBondContact OE2-NH1 2.84Å; E31-R87 IonicContact OE2-NH2 3.63Å; E31-R87 PolarHBondContact OE2-NH2 2.8Å; F35-R87 VanDerWaalsContact CE1-NH2 3.31Å; F35-R87 HydrophobicContact CE2-CB 4.25Å; F35-R87 VanDerWaalsContact CE2-NH2 3.29Å; Q83-R87 CarbonylContact C-O 3.6Å; Q83-R87 VanDerWaalsContact CA-O 3.32Å; Q83-R87 WeakPolarHBondContact CA-O 3.15Å; V84-R87 PolarHBondContact N-O 2.92Å; V84-R87 PolarHBondContact O-N 3.03Å; A85-R87 VanDerWaalsContact C-N 3.27Å; A85-R87 PolarHBondContact O-N 2.96Å
88	K	93.1	Very high	93.3	Very high	119 Å²	119	50.5 Å²	50.5	52%	0.517	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.5	174.1	-73.1	-168.7	173.1	-165.6	0	111	D79 L82 Q83	D79-K88 IonicContact OD2-NZ 2.83Å; L82-K88 WeakPolarHBondContact O-CA 3.35Å; Q83-K88 HydrophobicContact CB-CG 3.99Å; Q83-K88 HydrophobicContact CG-CG 3.85Å
89	G	93.2	Very high	93.7	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	172.3	175.2	0	0	0	0	0	112.2	R81 L82	R81-G89 CarbonylContact C-O 3.58Å; R81-G89 WeakPolarHBondContact CA-O 3.28Å; L82-G89 PolarHBondContact N-O 2.85Å; L82-G89 PolarHBondContact O-N 2.93Å
90	F	96.3	Very high	94.1	Very high	62 Å²	62	41.7 Å²	41.7	27%	0.272	22%	0.215	S	C	.	.			trans	-73.9	134	175.5	-62.8	-63	0	0	0	110.3	R81 H92 V93 I94 K106 F119	R81-F90 HydrophobicContact CG-CD1 4.08Å; R81-F90 HydrophobicContact CG-CE1 3.97Å; F90-H92 PolarHBondContact O-N 2.95Å; F90-V93 HydrophobicContact CB-CB 4.25Å; F90-V93 HydrophobicContact CB-CG2 3.91Å; F90-V93 PolarHBondContact O-N 3.33Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 2.84Å; F90-K106 HydrophobicContact CD2-CB 4.06Å; F90-K106 HydrophobicContact CE2-CB 4.15Å; F90-F119 HydrophobicContact CD1-CE1 4.07Å; F90-F119 HydrophobicContact CD1-CE2 4.01Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.32Å; F90-F119 AromaticContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CG-CZ 4.24Å
91	P	96.6	Very high	94.3	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.045	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-46	-170.2	22.5	-33.8	0	0	0	113	I74 G80 L82 V93 I94 Y95 V126 V128	I74-P91 HydrophobicContact CD1-CB 3.72Å; G80-P91 VanDerWaalsContact O-CD 3.28Å; G80-P91 WeakPolarHBondContact O-CD 3.08Å; L82-P91 HydrophobicContact CB-CB 4.05Å; L82-P91 HydrophobicContact CD2-CB 4.23Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 3.09Å; P91-I94 PolarHBondContact O-N 3.36Å; P91-Y95 WeakPolarHBondContact O-CD2 3.15Å; P91-Y95 PolarHBondContact O-N 2.88Å; P91-V126 HydrophobicContact CG-CB 4.44Å; P91-V126 HydrophobicContact CG-CG1 3.98Å; P91-V128 HydrophobicContact CB-CG1 3.89Å
92	H	96.4	Very high	94.2	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-41.3	177.5	66.2	-70.5	0	0	0	112.2	F90 A96 F119 Y133	F90-H92 PolarHBondContact O-N 2.95Å; H92-A96 WeakPolarHBondContact O-CB 3.44Å; H92-A96 PolarHBondContact O-N 3.09Å; H92-F119 HydrophobicContact CB-CB 4.44Å; H92-F119 AromaticContact CE1-CD1 3.22Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.31Å; H92-F119 AromaticContact CE1-CD2 3.79Å; H92-F119 AromaticContact CE1-CE1 3.79Å; H92-F119 AromaticContact CE1-CG 3.21Å; H92-F119 WeakPolarHBondContact CE1-CG 3.37Å; H92-F119 WeakPolarHBondContact ND1-CB 3.29Å; H92-F119 AromaticContact ND1-CD1 3.79Å; H92-F119 AromaticContact ND1-CD2 3.51Å; H92-F119 AromaticContact ND1-CG 3.25Å; H92-F119 VanDerWaalsContact ND1-CG 3.25Å; H92-F119 WeakPolarHBondContact ND1-CG 3.45Å; H92-F119 AromaticContact NE2-CD1 3.95Å; H92-Y133 HydrophobicContact CB-CE1 4.18Å; H92-Y133 HydrophobicContact CB-CE2 3.77Å; H92-Y133 WeakPolarHBondContact CB-OH 3.23Å; H92-Y133 AromaticContact CD2-CE1 3.87Å
93	V	96.5	Very high	94	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-43.8	175.4	-177.1	0	0	0	0	111.8	F90 P91 Y95 A96 R97 L104 L109	F90-V93 HydrophobicContact CB-CB 4.25Å; F90-V93 HydrophobicContact CB-CG2 3.91Å; F90-V93 PolarHBondContact O-N 3.33Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 3.09Å; V93-Y95 PolarHBondContact O-N 2.83Å; V93-A96 PolarHBondContact O-N 2.87Å; V93-R97 VanDerWaalsContact O-CB 3.24Å; V93-R97 WeakPolarHBondContact O-CB 3.29Å; V93-R97 PolarHBondContact O-N 3.47Å; V93-L104 HydrophobicContact CG1-CD2 4.04Å; V93-L104 HydrophobicContact CG1-CG 4.42Å; V93-L109 HydrophobicContact CG2-CD1 4.27Å
94	I	96.3	Very high	93.9	Very high	19 Å²	19	38.3 Å²	38.3	10%	0.097	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-48.8	179.8	-71.4	163.8	0	0	0	110.7	F35 L82 F90 P91 L98	F35-I94 HydrophobicContact CE1-CG2 4.32Å; F35-I94 HydrophobicContact CZ-CG2 4.27Å; L82-I94 HydrophobicContact CB-CD1 4.14Å; L82-I94 HydrophobicContact CD2-CD1 4.38Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 2.84Å; P91-I94 PolarHBondContact O-N 3.36Å; I94-L98 PolarHBondContact O-N 3.5Å; I94-L98 VanDerWaalsContact O-N 3.15Å
95	Y	97.6	Very high	93.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-79.4	-32.9	-176.2	-64.8	-63.9	0	0	0	113	A39 L43 I74 L82 P91 V93 L98 W99 V128	A39-Y95 HydrophobicContact CB-CE1 4.21Å; A39-Y95 PolarHBondContact O-OH 3.23Å; L43-Y95 HydrophobicContact CB-CE1 3.92Å; L43-Y95 HydrophobicContact CD1-CE2 4.35Å; L43-Y95 HydrophobicContact CD2-CD1 3.92Å; L43-Y95 HydrophobicContact CD2-CE1 3.74Å; L43-Y95 HydrophobicContact CD2-CE2 4.39Å; L43-Y95 HydrophobicContact CD2-CG 4.33Å; L43-Y95 HydrophobicContact CG-CE1 4.33Å; I74-Y95 HydrophobicContact CD1-CE2 4.48Å; L82-Y95 HydrophobicContact CD2-CE2 3.73Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.19Å; P91-Y95 WeakPolarHBondContact O-CD2 3.15Å; P91-Y95 PolarHBondContact O-N 2.88Å; V93-Y95 PolarHBondContact O-N 2.83Å; Y95-L98 PolarHBondContact O-N 3.49Å; Y95-W99 HydrophobicContact CD1-CE3 4.4Å; Y95-W99 AromaticContact CD1-CH2 3.99Å; Y95-W99 HydrophobicContact CD1-CH2 3.99Å; Y95-W99 AromaticContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.4Å; Y95-V128 HydrophobicContact CD2-CB 3.55Å; Y95-V128 HydrophobicContact CD2-CG1 3.65Å; Y95-V128 HydrophobicContact CD2-CG2 4.16Å; Y95-V128 HydrophobicContact CE2-CB 4.22Å; Y95-V128 HydrophobicContact CE2-CG1 4.03Å; Y95-V128 HydrophobicContact CE2-CG2 4.48Å; Y95-V128 HydrophobicContact CG-CB 4.25Å
96	A	97.2	Very high	93.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-39.3	170	0	0	0	0	0	112.6	H92 V93 L98 R100 W101 L104 L109 P130	H92-A96 WeakPolarHBondContact O-CB 3.44Å; H92-A96 PolarHBondContact O-N 3.09Å; V93-A96 PolarHBondContact O-N 2.87Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-R100 PolarHBondContact O-N 2.77Å; A96-W101 HydrophobicContact CB-CE3 4.26Å; A96-W101 HydrophobicContact CB-CZ3 4.49Å; A96-W101 PolarHBondContact O-N 3.3Å; A96-L104 HydrophobicContact CB-CD2 3.67Å; A96-L109 HydrophobicContact CB-CD1 3.79Å; A96-L109 HydrophobicContact CB-CD2 4.47Å; A96-P130 HydrophobicContact CB-CB 4.22Å
97	R	95.5	Very high	93.4	Very high	65 Å²	65	48.5 Å²	48.5	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-39.3	174.3	-172.2	-174.5	-67.8	171.9	-6.1	112.3	E31 V93 W101 P102 L104	E31-R97 HydrophobicContact CG-CG 4.49Å; E31-R97 WeakPolarHBondContact OE1-CD 3.46Å; E31-R97 IonicContact OE1-CZ 3.22Å; E31-R97 IonicContact OE1-NE 2.84Å; E31-R97 IonicContact OE1-NH1 2.65Å; E31-R97 PolarHBondContact OE1-NH1 2.78Å; V93-R97 VanDerWaalsContact O-CB 3.24Å; V93-R97 WeakPolarHBondContact O-CB 3.29Å; V93-R97 PolarHBondContact O-N 3.47Å; R97-W101 VanDerWaalsContact CA-O 3.27Å; R97-W101 WeakPolarHBondContact CA-O 3.26Å; R97-W101 WeakPolarHBondContact CG-O 3.25Å; R97-P102 WeakPolarHBondContact CG-O 3.29Å; R97-L104 HydrophobicContact CB-CB 4.42Å; R97-L104 PolarHBondContact NE-O 2.84Å; R97-L104 VanDerWaalsContact NE-O 3.15Å; R97-L104 PolarHBondContact NH2-O 2.75Å
98	L	96.4	Very high	93.5	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-41.4	-177.1	-157.5	104.1	0	0	0	113.4	R27 Q28 A36 I40 I94 Y95 A96	R27-L98 WeakPolarHBondContact CA-O 3.17Å; Q28-L98 PolarHBondContact N-O 3.24Å; A36-L98 HydrophobicContact CB-CD1 3.78Å; I40-L98 HydrophobicContact CD1-CD2 3.52Å; I40-L98 HydrophobicContact CG1-CD2 3.61Å; I94-L98 PolarHBondContact O-N 3.5Å; I94-L98 VanDerWaalsContact O-N 3.15Å; Y95-L98 PolarHBondContact O-N 3.49Å; A96-L98 VanDerWaalsContact C-N 3.34Å
99	W	97.3	Very high	93.6	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-113.3	-12.8	-169.6	-73.1	-60.3	0	0	0	115.8	L23 Q28 I40 L43 L57 I61 Y95 P130	L23-W99 HydrophobicContact CB-CZ2 4.13Å; L23-W99 HydrophobicContact CD1-CZ2 4.4Å; L23-W99 HydrophobicContact CD2-CZ2 4.41Å; L23-W99 PolarHBondContact O-NE1 2.72Å; Q28-W99 WeakPolarHBondContact CG-O 3.14Å; Q28-W99 PolarHBondContact NE2-O 3.39Å; Q28-W99 VanDerWaalsContact NE2-O 3.1Å; I40-W99 HydrophobicContact CD1-CZ2 3.85Å; I40-W99 HydrophobicContact CG1-CH2 4.13Å; I40-W99 HydrophobicContact CG1-CZ2 3.68Å; L43-W99 HydrophobicContact CD2-CH2 3.89Å; L43-W99 HydrophobicContact CD2-CZ3 4.08Å; L57-W99 HydrophobicContact CD1-CH2 4.43Å; L57-W99 HydrophobicContact CD1-CZ3 4.26Å; I61-W99 HydrophobicContact CD1-CB 3.82Å; I61-W99 HydrophobicContact CD1-CD2 3.54Å; I61-W99 HydrophobicContact CD1-CE3 3.78Å; I61-W99 HydrophobicContact CD1-CG 3.57Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.33Å; I61-W99 HydrophobicContact CG1-CG 4.2Å; I61-W99 HydrophobicContact CG1-CZ2 4.44Å; I61-W99 HydrophobicContact CG2-CG 4.17Å; Y95-W99 HydrophobicContact CD1-CE3 4.4Å; Y95-W99 AromaticContact CD1-CH2 3.99Å; Y95-W99 HydrophobicContact CD1-CH2 3.99Å; Y95-W99 AromaticContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.4Å; W99-P130 HydrophobicContact CB-CG 4.16Å; W99-P130 HydrophobicContact CE3-CG 4.28Å
100	R	95.8	Very high	93.7	Very high	70 Å²	70	45 Å²	45	26%	0.264	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-52.2	-179	-63.7	-175.6	73.5	-166.9	2.5	114.4	A96 P130 Y131 Y133	A96-R100 PolarHBondContact O-N 2.77Å; R100-P130 VanDerWaalsContact CD-O 3.25Å; R100-P130 WeakPolarHBondContact CD-O 3.4Å; R100-P130 HydrophobicContact CG-CB 4.08Å; R100-P130 HydrophobicContact CG-CG 4.46Å; R100-P130 PolarHBondContact NH1-O 2.52Å; R100-Y131 HydrophobicContact CG-CE1 4.05Å; R100-Y131 HydrophobicContact CG-CE2 4.4Å; R100-Y133 PolarHBondContact NH1-O 2.59Å
101	W	95.3	Very high	93.6	Very high	44 Å²	44	44.4 Å²	44.4	17%	0.167	21%	0.207	C	C	.	.			trans	-130.1	84.7	-166.7	-62.1	-59.1	0	0	0	111.7	A96 R97 D103 L104 L109 Y133 R135	A96-W101 HydrophobicContact CB-CE3 4.26Å; A96-W101 HydrophobicContact CB-CZ3 4.49Å; A96-W101 PolarHBondContact O-N 3.3Å; R97-W101 VanDerWaalsContact CA-O 3.27Å; R97-W101 WeakPolarHBondContact CA-O 3.26Å; R97-W101 WeakPolarHBondContact CG-O 3.25Å; W101-D103 PolarHBondContact O-N 2.74Å; W101-L104 HydrophobicContact CB-CB 3.78Å; W101-L104 HydrophobicContact CB-CD1 4.32Å; W101-L104 HydrophobicContact CB-CG 4.47Å; W101-L104 HydrophobicContact CE3-CD1 4.24Å; W101-L104 HydrophobicContact CE3-CD2 4.34Å; W101-L104 WeakPolarHBondContact O-CB 3.29Å; W101-L104 PolarHBondContact O-N 2.65Å; W101-L109 HydrophobicContact CE3-CD2 3.79Å; W101-L109 HydrophobicContact CH2-CD2 4.32Å; W101-L109 HydrophobicContact CZ3-CD2 3.41Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.41Å; W101-Y133 WeakPolarHBondContact CH2-O 3.3Å; W101-R135 HydrophobicContact CD2-CB 4.13Å; W101-R135 HydrophobicContact CE3-CB 4.39Å; W101-R135 HydrophobicContact CH2-CB 3.89Å; W101-R135 HydrophobicContact CZ2-CB 3.61Å; W101-R135 HydrophobicContact CZ3-CB 4.3Å
102	P	91.4	Very high	93.6	Very high	47 Å²	47	44.5 Å²	44.5	31%	0.305	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.1	-171.8	24.9	-34.1	0	0	0	114.2	Q28 R97	Q28-P102 HydrophobicContact CB-CB 4.46Å; Q28-P102 HydrophobicContact CB-CG 4.17Å; R97-P102 WeakPolarHBondContact CG-O 3.29Å
103	D	88.9	Confident	93.4	Very high	82 Å²	82	54.6 Å²	54.6	44%	0.439	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	0.4	179.1	68	-49.5	0	0	0	114.4	W101 H105 R135	W101-D103 PolarHBondContact O-N 2.74Å; D103-H105 PolarHBondContact O-CE1 3.24Å; D103-H105 PolarHBondContact O-ND1 2.87Å; D103-R135 VanDerWaalsContact CG-NH1 3.29Å; D103-R135 IonicContact OD1-CZ 2.68Å; D103-R135 IonicContact OD1-NH1 2.98Å; D103-R135 PolarHBondContact OD1-NH1 2.98Å; D103-R135 IonicContact OD1-NH2 3.27Å; D103-R135 IonicContact OD2-CZ 2.76Å; D103-R135 IonicContact OD2-NH1 3.03Å; D103-R135 PolarHBondContact OD2-NH1 3.12Å; D103-R135 IonicContact OD2-NH2 3.74Å; D103-R135 PolarHBondContact OD2-NH2 3.34Å
104	L	91.6	Very high	93.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.275	C	S	.	.			trans	-60.2	132.1	-171.7	-177.6	75.3	0	0	0	114.7	V93 A96 R97 W101 E108 L109 R135	V93-L104 HydrophobicContact CG1-CD2 4.04Å; V93-L104 HydrophobicContact CG1-CG 4.42Å; A96-L104 HydrophobicContact CB-CD2 3.67Å; R97-L104 HydrophobicContact CB-CB 4.42Å; R97-L104 PolarHBondContact NE-O 2.84Å; R97-L104 VanDerWaalsContact NE-O 3.15Å; R97-L104 PolarHBondContact NH2-O 2.75Å; W101-L104 HydrophobicContact CB-CB 3.78Å; W101-L104 HydrophobicContact CB-CD1 4.32Å; W101-L104 HydrophobicContact CB-CG 4.47Å; W101-L104 HydrophobicContact CE3-CD1 4.24Å; W101-L104 HydrophobicContact CE3-CD2 4.34Å; W101-L104 WeakPolarHBondContact O-CB 3.29Å; W101-L104 PolarHBondContact O-N 2.65Å; L104-E108 HydrophobicContact CD1-CB 3.72Å; L104-L109 HydrophobicContact CD1-CD2 3.69Å; L104-L109 HydrophobicContact CD1-CG 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.82Å; L104-L109 HydrophobicContact CD2-CD2 3.86Å; L104-L109 HydrophobicContact CD2-CG 3.85Å; L104-L109 HydrophobicContact CG-CD2 4.39Å; L104-L109 HydrophobicContact CG-CG 4.41Å; L104-R135 HydrophobicContact CD1-CG 4.07Å
105	H	87.8	Confident	93.3	Very high	111 Å²	111	60 Å²	60	51%	0.514	27%	0.271	S	S	.	.			trans	-97.3	166.4	171.8	-60.2	91.5	0	0	0	114.3	D103 N107 E108	D103-H105 PolarHBondContact O-CE1 3.24Å; D103-H105 PolarHBondContact O-ND1 2.87Å; H105-N107 PolarHBondContact O-N 2.85Å; H105-N107 VanDerWaalsContact O-N 3.11Å; H105-E108 HydrophobicContact CB-CG 4.04Å; H105-E108 WeakPolarHBondContact CB-OE1 3.43Å; H105-E108 IonicContact CG-OE1 3.56Å; H105-E108 PolarHBondContact N-OE2 2.92Å; H105-E108 IonicContact ND1-OE1 2.77Å; H105-E108 PolarHBondContact ND1-OE1 3.3Å; H105-E108 IonicContact ND1-OE2 3.86Å; H105-E108 PolarHBondContact O-N 3.15Å
106	K	82.8	Confident	93.3	Very high	135 Å²	135	66.5 Å²	66.5	59%	0.587	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.8	-171	58.2	174	-177.9	-172.1	0	116.6	F90	F90-K106 HydrophobicContact CD2-CB 4.06Å; F90-K106 HydrophobicContact CE2-CB 4.15Å
107	N	86.9	Confident	93.3	Very high	105 Å²	105	71 Å²	71	56%	0.561	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	11	-175.1	-65.6	0.5	0	0	0	112.5	H105	H105-N107 PolarHBondContact O-N 2.85Å; H105-N107 VanDerWaalsContact O-N 3.11Å
108	E	90.6	Very high	93.3	Very high	31 Å²	31	67.9 Å²	67.9	15%	0.145	31%	0.308	C	S	.	.			trans	-98.7	13.4	-173.8	-65.2	177.2	179.2	0	0	113.1	L104 H105 R135 V136	L104-E108 HydrophobicContact CD1-CB 3.72Å; H105-E108 HydrophobicContact CB-CG 4.04Å; H105-E108 WeakPolarHBondContact CB-OE1 3.43Å; H105-E108 IonicContact CG-OE1 3.56Å; H105-E108 PolarHBondContact N-OE2 2.92Å; H105-E108 IonicContact ND1-OE1 2.77Å; H105-E108 PolarHBondContact ND1-OE1 3.3Å; H105-E108 IonicContact ND1-OE2 3.86Å; H105-E108 PolarHBondContact O-N 3.15Å; E108-R135 HydrophobicContact CB-CG 4.36Å; E108-R135 CarbonylContact O-C 3.58Å; E108-R135 VanDerWaalsContact O-CA 3.25Å; E108-R135 WeakPolarHBondContact O-CA 3.29Å; E108-R135 WeakPolarHBondContact O-CG 3.32Å; E108-R135 IonicContact OE1-NH2 3.61Å; E108-R135 IonicContact OE2-CZ 2.66Å; E108-R135 IonicContact OE2-NE 3.82Å; E108-R135 PolarHBondContact OE2-NE 2.85Å; E108-R135 IonicContact OE2-NH2 3.77Å; E108-R135 PolarHBondContact OE2-NH2 3.18Å; E108-V136 WeakPolarHBondContact CA-O 3.34Å; E108-V136 PolarHBondContact O-N 3.4Å
109	L	94.8	Very high	93.3	Very high	18 Å²	18	69.2 Å²	69.2	9%	0.094	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.1	177.7	-67.9	-175.3	0	0	0	111.3	V93 A96 W101 L104 Y133	V93-L109 HydrophobicContact CG2-CD1 4.27Å; A96-L109 HydrophobicContact CB-CD1 3.79Å; A96-L109 HydrophobicContact CB-CD2 4.47Å; W101-L109 HydrophobicContact CE3-CD2 3.79Å; W101-L109 HydrophobicContact CH2-CD2 4.32Å; W101-L109 HydrophobicContact CZ3-CD2 3.41Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.41Å; L104-L109 HydrophobicContact CD1-CD2 3.69Å; L104-L109 HydrophobicContact CD1-CG 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.82Å; L104-L109 HydrophobicContact CD2-CD2 3.86Å; L104-L109 HydrophobicContact CD2-CG 3.85Å; L104-L109 HydrophobicContact CG-CD2 4.39Å; L104-L109 HydrophobicContact CG-CG 4.41Å; L109-Y133 HydrophobicContact CB-CD1 4.19Å; L109-Y133 HydrophobicContact CD1-CD1 4.41Å; L109-Y133 HydrophobicContact CD1-CG 4.25Å
110	K	95.3	Very high	93.1	Very high	128 Å²	128	73 Å²	73	56%	0.557	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	139	165.6	-173.7	176.1	-178.9	179.3	0	108.5	Y133 E134 V136	K110-Y133 CarbonylContact O-C 3.52Å; K110-Y133 VanDerWaalsContact O-CA 3.3Å; K110-Y133 WeakPolarHBondContact O-CA 3.32Å; K110-E134 PolarHBondContact N-O 2.71Å; K110-E134 PolarHBondContact O-N 2.7Å; K110-V136 HydrophobicContact CB-CG1 3.6Å; K110-V136 HydrophobicContact CB-CG2 4.07Å; K110-V136 HydrophobicContact CD-CG1 4.19Å
111	H	95.8	Very high	93	Very high	49 Å²	49	73.6 Å²	73.6	23%	0.227	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.4	-179.8	61.3	-88.9	0	0	0	112.4	C115 A118 D120 H132 Y133	H111-C115 HydrophobicContact CB-CB 4.44Å; H111-A118 HydrophobicContact CB-CB 3.27Å; H111-D120 IonicContact CE1-OD2 2.74Å; H111-D120 IonicContact ND1-OD2 3.39Å; H111-D120 PolarHBondContact ND1-OD2 3.33Å; H111-H132 WeakPolarHBondContact CA-O 3.38Å; H111-Y133 HydrophobicContact CB-CD1 3.91Å; H111-Y133 HydrophobicContact CB-CE1 3.89Å
112	V	94.7	Very high	92.8	Very high	9 Å²	9	79.6 Å²	79.6	6%	0.055	37%	0.369	C	S	.	.			trans	-70.9	148.6	173.3	-58.7	0	0	0	0	110.8	Y114 C115 H132 E134	V112-Y114 HydrophobicContact CB-CD1 4.16Å; V112-Y114 HydrophobicContact CB-CE1 3.81Å; V112-Y114 HydrophobicContact CG1-CE1 4.46Å; V112-Y114 HydrophobicContact CG2-CD1 3.85Å; V112-Y114 HydrophobicContact CG2-CD2 3.84Å; V112-Y114 HydrophobicContact CG2-CE1 3.54Å; V112-Y114 HydrophobicContact CG2-CE2 3.53Å; V112-Y114 HydrophobicContact CG2-CG 3.99Å; V112-Y114 PolarHBondContact O-N 2.99Å; V112-C115 HydrophobicContact CG2-CB 4.01Å; V112-C115 WeakPolarHBondContact O-CB 3.41Å; V112-C115 PolarHBondContact O-N 2.91Å; V112-H132 HydrophobicContact CG2-CB 4.35Å; V112-H132 WeakPolarHBondContact CG2-O 3.2Å; V112-H132 PolarHBondContact N-O 2.88Å; V112-E134 HydrophobicContact CG1-CG 3.92Å
113	K	93.3	Very high	92.9	Very high	220 Å²	220	79.5 Å²	79.5	96%	0.957	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.6	-173.5	-66.9	-178.2	-179.9	176.2	0	115
114	Y	94.2	Very high	93.2	Very high	136 Å²	136	81.7 Å²	81.7	53%	0.533	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.2	-179.7	60.9	-98.3	0	0	0	114	V112 Q116 H132	V112-Y114 HydrophobicContact CB-CD1 4.16Å; V112-Y114 HydrophobicContact CB-CE1 3.81Å; V112-Y114 HydrophobicContact CG1-CE1 4.46Å; V112-Y114 HydrophobicContact CG2-CD1 3.85Å; V112-Y114 HydrophobicContact CG2-CD2 3.84Å; V112-Y114 HydrophobicContact CG2-CE1 3.54Å; V112-Y114 HydrophobicContact CG2-CE2 3.53Å; V112-Y114 HydrophobicContact CG2-CG 3.99Å; V112-Y114 PolarHBondContact O-N 2.99Å; Y114-Q116 PolarHBondContact O-N 3.21Å; Y114-H132 AromaticContact CE2-NE2 3.93Å
115	C	96.8	Very high	93.4	Very high	4 Å²	4	82.9 Å²	82.9	3%	0.027	39%	0.389	C	S	.	.			trans	-79.5	106	176.2	-168.9	0	0	0	0	111.1	H111 V112 Y117 A118 L121 C127 H132	H111-C115 HydrophobicContact CB-CB 4.44Å; V112-C115 HydrophobicContact CG2-CB 4.01Å; V112-C115 WeakPolarHBondContact O-CB 3.41Å; V112-C115 PolarHBondContact O-N 2.91Å; C115-Y117 VanDerWaalsContact C-N 3.34Å; C115-Y117 PolarHBondContact O-N 3.46Å; C115-A118 HydrophobicContact CB-CB 4.23Å; C115-L121 WeakPolarHBondContact O-CD1 3.34Å; C115-C127 VanDerWaalsContact SG-CB 3.55Å; C115-H132 HydrophobicContact CB-CB 4.08Å; C115-H132 PolarHBondContact SG-ND1 2.84Å; C115-H132 VanDerWaalsContact SG-ND1 3.44Å
116	Q	96.9	Very high	93.9	Very high	138 Å²	138	77.7 Å²	77.7	65%	0.645	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-19	-175.6	-62.4	174.8	15.7	0	0	114.1	Y114	Y114-Q116 PolarHBondContact O-N 3.21Å
117	Y	97.8	Very high	94.6	Very high	94 Å²	94	71.3 Å²	71.3	37%	0.369	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	24.6	-174.3	-60.5	-83.1	0	0	0	112.4	C71 T73 C115 C123 V126 C127	C71-Y117 HydrophobicContact CB-CD2 3.85Å; T73-Y117 HydrophobicContact CG2-CD2 3.76Å; T73-Y117 HydrophobicContact CG2-CE2 4.49Å; T73-Y117 HydrophobicContact CG2-CG 3.8Å; C115-Y117 VanDerWaalsContact C-N 3.34Å; C115-Y117 PolarHBondContact O-N 3.46Å; Y117-C123 HydrophobicContact CD1-CB 4.46Å; Y117-V126 CarbonylContact O-C 3.59Å; Y117-V126 WeakPolarHBondContact O-CA 3.4Å; Y117-C127 PolarHBondContact O-N 2.85Å
118	A	96.1	Very high	95.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.311	C	S	.	.			trans	-56.1	149.3	-179.3	0	0	0	0	0	112.8	H111 C115 D120 L121 Y133	H111-A118 HydrophobicContact CB-CB 3.27Å; C115-A118 HydrophobicContact CB-CB 4.23Å; A118-D120 PolarHBondContact O-N 3.35Å; A118-D120 VanDerWaalsContact O-N 3.15Å; A118-L121 HydrophobicContact CB-CD1 3.98Å; A118-L121 HydrophobicContact CB-CG 4.05Å; A118-L121 WeakPolarHBondContact O-CB 3.36Å; A118-L121 PolarHBondContact O-N 3.27Å; A118-Y133 HydrophobicContact CB-CE1 4.45Å
119	F	94.9	Very high	95.5	Very high	31 Å²	31	64.9 Å²	64.9	14%	0.136	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.6	-35.1	-174.6	-178.5	-99.3	0	0	0	113.8	R76 G80 F90 H92 L121 K122 V126 Y133	R76-F119 PolarHBondContact NH2-O 3.4Å; G80-F119 WeakPolarHBondContact O-CE2 3.47Å; F90-F119 HydrophobicContact CD1-CE1 4.07Å; F90-F119 HydrophobicContact CD1-CE2 4.01Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.32Å; F90-F119 AromaticContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CG-CZ 4.24Å; H92-F119 HydrophobicContact CB-CB 4.44Å; H92-F119 AromaticContact CE1-CD1 3.22Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.31Å; H92-F119 AromaticContact CE1-CD2 3.79Å; H92-F119 AromaticContact CE1-CE1 3.79Å; H92-F119 AromaticContact CE1-CG 3.21Å; H92-F119 WeakPolarHBondContact CE1-CG 3.37Å; H92-F119 WeakPolarHBondContact ND1-CB 3.29Å; H92-F119 AromaticContact ND1-CD1 3.79Å; H92-F119 AromaticContact ND1-CD2 3.51Å; H92-F119 AromaticContact ND1-CG 3.25Å; H92-F119 VanDerWaalsContact ND1-CG 3.25Å; H92-F119 WeakPolarHBondContact ND1-CG 3.45Å; H92-F119 AromaticContact NE2-CD1 3.95Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 PolarHBondContact O-N 3.07Å; F119-K122 PolarHBondContact O-N 3.07Å; F119-V126 HydrophobicContact CB-CG1 4.09Å; F119-V126 HydrophobicContact CD2-CG1 3.91Å; F119-V126 HydrophobicContact CD2-CG2 4.18Å; F119-Y133 PolarHBondContact N-OH 3.23Å; F119-Y133 VanDerWaalsContact N-OH 3.1Å
120	D	92.6	Very high	95.6	Very high	82 Å²	82	64 Å²	64	44%	0.439	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-73	-21.7	-178.1	-47.9	-47.3	0	0	0	113.4	H111 A118 K122	H111-D120 IonicContact CE1-OD2 2.74Å; H111-D120 IonicContact ND1-OD2 3.39Å; H111-D120 PolarHBondContact ND1-OD2 3.33Å; A118-D120 PolarHBondContact O-N 3.35Å; A118-D120 VanDerWaalsContact O-N 3.15Å; D120-K122 PolarHBondContact O-N 3.47Å
121	L	94.3	Very high	95.7	Very high	81 Å²	81	59.2 Å²	59.2	42%	0.424	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-74.2	-6.3	179.7	-57.2	178	0	0	0	113	C115 A118 F119 C123	C115-L121 WeakPolarHBondContact O-CD1 3.34Å; A118-L121 HydrophobicContact CB-CD1 3.98Å; A118-L121 HydrophobicContact CB-CG 4.05Å; A118-L121 WeakPolarHBondContact O-CB 3.36Å; A118-L121 PolarHBondContact O-N 3.27Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 PolarHBondContact O-N 3.07Å; L121-C123 PolarHBondContact O-N 2.89Å
122	K	92	Very high	95.8	Very high	170 Å²	170	57 Å²	57	74%	0.739	27%	0.268	S	S	*	.			trans	57.4	15.3	174.6	-63.8	175.8	-174	175.5	0	116	F119 D120	F119-K122 PolarHBondContact O-N 3.07Å; D120-K122 PolarHBondContact O-N 3.47Å
123	C	93.8	Very high	95.9	Very high	45 Å²	45	56.6 Å²	56.6	30%	0.304	27%	0.266	S	S	.	.			trans	-59.3	157.3	173.8	-48.7	0	0	0	0	112.8	R76 Y117 L121 S125	R76-C123 WeakPolarHBondContact CD-O 3.35Å; R76-C123 PolarHBondContact NE-O 3.17Å; Y117-C123 HydrophobicContact CD1-CB 4.46Å; L121-C123 PolarHBondContact O-N 2.89Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 VanDerWaalsContact O-N 3.13Å
124	D	94.5	Very high	96	Very high	128 Å²	128	51.3 Å²	51.3	68%	0.684	24%	0.244	S	C	*	.	S	Bend	trans	-59.8	-22.7	177.6	-65.5	-26.1	0	0	0	113.8	Q75 R76	Q75-D124 PolarHBondContact NE2-O 2.99Å; Q75-D124 VanDerWaalsContact NE2-O 3.1Å; R76-D124 WeakPolarHBondContact CB-O 3.44Å; R76-D124 PolarHBondContact N-O 3.15Å
125	S	96.4	Very high	96	Very high	26 Å²	26	49 Å²	49	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.3	171.7	-74.9	0	0	0	0	111	I74 C123	I74-S125 CarbonylContact O-C 3.53Å; I74-S125 WeakPolarHBondContact O-CA 3.45Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 VanDerWaalsContact O-N 3.13Å
126	V	97.6	Very high	95.7	Very high	2 Å²	2	51 Å²	51	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.6	-179.4	-179.9	0	0	0	0	110.3	T73 I74 R76 P91 Y117 F119	T73-V126 WeakPolarHBondContact CA-O 3.38Å; I74-V126 PolarHBondContact N-O 3.18Å; I74-V126 PolarHBondContact O-N 3.49Å; R76-V126 HydrophobicContact CB-CG2 3.99Å; R76-V126 HydrophobicContact CG-CG2 4.29Å; P91-V126 HydrophobicContact CG-CB 4.44Å; P91-V126 HydrophobicContact CG-CG1 3.98Å; Y117-V126 CarbonylContact O-C 3.59Å; Y117-V126 WeakPolarHBondContact O-CA 3.4Å; F119-V126 HydrophobicContact CB-CG1 4.09Å; F119-V126 HydrophobicContact CD2-CG1 3.91Å; F119-V126 HydrophobicContact CD2-CG2 4.18Å
127	C	98.3	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.3	170.6	-167.8	0	0	0	0	110.7	C71 V72 C115 Y117 H132 Y133	C71-C127 HydrophobicContact CB-CB 4.47Å; V72-C127 CarbonylContact O-C 3.5Å; V72-C127 VanDerWaalsContact O-CA 3.26Å; V72-C127 WeakPolarHBondContact O-CA 3.32Å; C115-C127 VanDerWaalsContact SG-CB 3.55Å; Y117-C127 PolarHBondContact O-N 2.85Å; C127-H132 PolarHBondContact SG-ND1 3.1Å; C127-Y133 WeakPolarHBondContact O-CE2 3.49Å; C127-Y133 PolarHBondContact O-OH 3.44Å
128	V	98.1	Very high	92.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.249	C	C	.	.			trans	-117.3	6.2	176.7	-64.8	0	0	0	0	113.1	L43 V72 I74 P91 Y95 P130	L43-V128 HydrophobicContact CD1-CG2 3.86Å; L43-V128 HydrophobicContact CD2-CG2 4.28Å; V72-V128 HydrophobicContact CB-CG2 4.41Å; V72-V128 HydrophobicContact CG1-CG2 4.03Å; V72-V128 WeakPolarHBondContact O-CG2 3.36Å; V72-V128 PolarHBondContact O-N 3.15Å; I74-V128 HydrophobicContact CD1-CG1 3.97Å; I74-V128 HydrophobicContact CG1-CG1 3.96Å; I74-V128 HydrophobicContact CG2-CG2 4.28Å; P91-V128 HydrophobicContact CB-CG1 3.89Å; Y95-V128 HydrophobicContact CD2-CB 3.55Å; Y95-V128 HydrophobicContact CD2-CG1 3.65Å; Y95-V128 HydrophobicContact CD2-CG2 4.16Å; Y95-V128 HydrophobicContact CE2-CB 4.22Å; Y95-V128 HydrophobicContact CE2-CG1 4.03Å; Y95-V128 HydrophobicContact CE2-CG2 4.48Å; Y95-V128 HydrophobicContact CG-CB 4.25Å; V128-P130 WeakPolarHBondContact O-CD 3.31Å
129	N	97.8	Very high	89.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.			trans	-62.7	115.9	170.5	-175.4	-21.9	0	0	0	108.5	S69 K70 V72 Y131 H132 Y133	S69-N129 PolarHBondContact OG-ND2 2.75Å; K70-N129 PolarHBondContact O-ND2 3.49Å; K70-N129 VanDerWaalsContact O-ND2 3.1Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.89Å; N129-Y131 PolarHBondContact O-N 2.87Å; N129-Y131 PolarHBondContact OD1-N 2.89Å; N129-H132 HydrophobicContact CB-CB 4.27Å; N129-H132 PolarHBondContact ND2-CD2 2.87Å; N129-H132 PolarHBondContact ND2-NE2 3.29Å; N129-H132 WeakPolarHBondContact O-CB 3.32Å; N129-H132 PolarHBondContact O-N 2.81Å; N129-H132 VanDerWaalsContact O-N 3.09Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å
130	P	97.1	Very high	87.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-71.2	-14.8	-172.8	32.8	-38.5	0	0	0	112.8	I61 A96 W99 R100 V128	I61-P130 HydrophobicContact CD1-CG 3.54Å; A96-P130 HydrophobicContact CB-CB 4.22Å; W99-P130 HydrophobicContact CB-CG 4.16Å; W99-P130 HydrophobicContact CE3-CG 4.28Å; R100-P130 VanDerWaalsContact CD-O 3.25Å; R100-P130 WeakPolarHBondContact CD-O 3.4Å; R100-P130 HydrophobicContact CG-CB 4.08Å; R100-P130 HydrophobicContact CG-CG 4.46Å; R100-P130 PolarHBondContact NH1-O 2.52Å; V128-P130 WeakPolarHBondContact O-CD 3.31Å
131	Y	97.3	Very high	84.9	Confident	28 Å²	28	57.7 Å²	57.7	11%	0.11	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-87.2	-4	174.8	-62.9	-79.5	0	0	0	113.6	A60 I61 N64 R100 N129	A60-Y131 HydrophobicContact CB-CD2 4.01Å; A60-Y131 WeakPolarHBondContact O-CE2 3.23Å; I61-Y131 HydrophobicContact CD1-CE2 4.06Å; N64-Y131 VanDerWaalsContact C-CE1 3.44Å; N64-Y131 WeakPolarHBondContact CA-OH 3.31Å; N64-Y131 VanDerWaalsContact O-CE1 3.25Å; N64-Y131 WeakPolarHBondContact O-CE1 3.46Å; N64-Y131 PolarHBondContact OD1-OH 3.4Å; R100-Y131 HydrophobicContact CG-CE1 4.05Å; R100-Y131 HydrophobicContact CG-CE2 4.4Å; N129-Y131 PolarHBondContact O-N 2.87Å; N129-Y131 PolarHBondContact OD1-N 2.89Å
132	H	97.7	Very high	82.1	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.009	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-88.3	5.4	171.3	-75.2	-150.6	0	0	0	113	S69 K70 C71 H111 V112 Y114 C115 C127 N129	S69-H132 PolarHBondContact O-CE1 2.82Å; S69-H132 PolarHBondContact O-NE2 3.3Å; K70-H132 PolarHBondContact O-CE1 2.84Å; K70-H132 PolarHBondContact O-NE2 3.08Å; C71-H132 VanDerWaalsContact CA-CE1 3.49Å; C71-H132 WeakPolarHBondContact CA-CE1 3.35Å; C71-H132 PolarHBondContact N-CE1 2.9Å; C71-H132 VanDerWaalsContact N-CE1 3.34Å; C71-H132 VanDerWaalsContact SG-CE1 3.59Å; C71-H132 PolarHBondContact SG-ND1 2.87Å; H111-H132 WeakPolarHBondContact CA-O 3.38Å; V112-H132 HydrophobicContact CG2-CB 4.35Å; V112-H132 WeakPolarHBondContact CG2-O 3.2Å; V112-H132 PolarHBondContact N-O 2.88Å; Y114-H132 AromaticContact CE2-NE2 3.93Å; C115-H132 HydrophobicContact CB-CB 4.08Å; C115-H132 PolarHBondContact SG-ND1 2.84Å; C115-H132 VanDerWaalsContact SG-ND1 3.44Å; C127-H132 PolarHBondContact SG-ND1 3.1Å; N129-H132 HydrophobicContact CB-CB 4.27Å; N129-H132 PolarHBondContact ND2-CD2 2.87Å; N129-H132 PolarHBondContact ND2-NE2 3.29Å; N129-H132 WeakPolarHBondContact O-CB 3.32Å; N129-H132 PolarHBondContact O-N 2.81Å; N129-H132 VanDerWaalsContact O-N 3.09Å
133	Y	97.3	Very high	79.8	Confident	1 Å²	1	57.9 Å²	57.9	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.4	175.6	-58.9	-92.7	0	0	0	110	H92 R100 W101 L109 K110 H111 A118 F119 C127 N129	H92-Y133 HydrophobicContact CB-CE1 4.18Å; H92-Y133 HydrophobicContact CB-CE2 3.77Å; H92-Y133 WeakPolarHBondContact CB-OH 3.23Å; H92-Y133 AromaticContact CD2-CE1 3.87Å; R100-Y133 PolarHBondContact NH1-O 2.59Å; W101-Y133 WeakPolarHBondContact CH2-O 3.3Å; L109-Y133 HydrophobicContact CB-CD1 4.19Å; L109-Y133 HydrophobicContact CD1-CD1 4.41Å; L109-Y133 HydrophobicContact CD1-CG 4.25Å; K110-Y133 CarbonylContact O-C 3.52Å; K110-Y133 VanDerWaalsContact O-CA 3.3Å; K110-Y133 WeakPolarHBondContact O-CA 3.32Å; H111-Y133 HydrophobicContact CB-CD1 3.91Å; H111-Y133 HydrophobicContact CB-CE1 3.89Å; A118-Y133 HydrophobicContact CB-CE1 4.45Å; F119-Y133 PolarHBondContact N-OH 3.23Å; F119-Y133 VanDerWaalsContact N-OH 3.1Å; C127-Y133 WeakPolarHBondContact O-CE2 3.49Å; C127-Y133 PolarHBondContact O-OH 3.44Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å
134	E	94.8	Very high	77.2	Confident	109 Å²	109	60.4 Å²	60.4	51%	0.509	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.7	170.2	-70.8	166.7	-177.8	0	0	107.9	K110 V112	K110-E134 PolarHBondContact N-O 2.71Å; K110-E134 PolarHBondContact O-N 2.7Å; V112-E134 HydrophobicContact CG1-CG 3.92Å
135	R	94.2	Very high	74.6	Confident	86 Å²	86	57.7 Å²	57.7	33%	0.325	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.3	173.8	-167.3	176.5	-171.5	-178.8	2.5	108.8	W101 D103 L104 E108	W101-R135 HydrophobicContact CD2-CB 4.13Å; W101-R135 HydrophobicContact CE3-CB 4.39Å; W101-R135 HydrophobicContact CH2-CB 3.89Å; W101-R135 HydrophobicContact CZ2-CB 3.61Å; W101-R135 HydrophobicContact CZ3-CB 4.3Å; D103-R135 VanDerWaalsContact CG-NH1 3.29Å; D103-R135 IonicContact OD1-CZ 2.68Å; D103-R135 IonicContact OD1-NH1 2.98Å; D103-R135 PolarHBondContact OD1-NH1 2.98Å; D103-R135 IonicContact OD1-NH2 3.27Å; D103-R135 IonicContact OD2-CZ 2.76Å; D103-R135 IonicContact OD2-NH1 3.03Å; D103-R135 PolarHBondContact OD2-NH1 3.12Å; D103-R135 IonicContact OD2-NH2 3.74Å; D103-R135 PolarHBondContact OD2-NH2 3.34Å; L104-R135 HydrophobicContact CD1-CG 4.07Å; E108-R135 HydrophobicContact CB-CG 4.36Å; E108-R135 CarbonylContact O-C 3.58Å; E108-R135 VanDerWaalsContact O-CA 3.25Å; E108-R135 WeakPolarHBondContact O-CA 3.29Å; E108-R135 WeakPolarHBondContact O-CG 3.32Å; E108-R135 IonicContact OE1-NH2 3.61Å; E108-R135 IonicContact OE2-CZ 2.66Å; E108-R135 IonicContact OE2-NE 3.82Å; E108-R135 PolarHBondContact OE2-NE 2.85Å; E108-R135 IonicContact OE2-NH2 3.77Å; E108-R135 PolarHBondContact OE2-NH2 3.18Å
136	V	89.9	Confident	71.8	Confident	48 Å²	48	63.2 Å²	63.2	29%	0.291	38%	0.383	S	S	.	.			trans	-118.6	143	176.1	-66.3	0	0	0	0	109.8	E108 K110	E108-V136 WeakPolarHBondContact CA-O 3.34Å; E108-V136 PolarHBondContact O-N 3.4Å; K110-V136 HydrophobicContact CB-CG1 3.6Å; K110-V136 HydrophobicContact CB-CG2 4.07Å; K110-V136 HydrophobicContact CD-CG1 4.19Å
137	V	70.1	Confident	68.9	Low	116 Å²	116	68.8 Å²	68.8	70%	0.703	42%	0.417	S	S	*	.			trans	-69.7	136.4	168.7	-174	0	0	0	0	107.8	I141	V137-I141 HydrophobicContact CG1-CD1 3.95Å
138	S	51.4	Low	65.8	Low	50 Å²	50	76.9 Å²	76.9	35%	0.35	46%	0.459	S	S	.	.			trans	-59.1	139.6	179.5	-73	0	0	0	0	110.7	G140	S138-G140 PolarHBondContact O-N 3.3Å
139	P	41.6	Very low	62.7	Low	131 Å²	131	85 Å²	85	85%	0.851	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	23.6	-174.1	-21.3	34.3	0	0	0	116.9	I141	P139-I141 VanDerWaalsContact C-N 3.3Å
140	G	42	Very low	59.4	Low	77 Å²	77	90 Å²	90	79%	0.794	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	4.7	173.9	0	0	0	0	0	114.1	S138	S138-G140 PolarHBondContact O-N 3.3Å
141	I	47.3	Very low	56.1	Low	111 Å²	111	97.6 Å²	97.6	57%	0.569	57%	0.573	S	S	*	*	S	Bend	trans	-110	110.2	169.5	-52.1	-178.3	0	0	0	106.7	V137 P139 L143	V137-I141 HydrophobicContact CG1-CD1 3.95Å; P139-I141 VanDerWaalsContact C-N 3.3Å; I141-L143 HydrophobicContact CB-CD1 4.39Å; I141-L143 HydrophobicContact CG2-CD1 3.88Å; I141-L143 PolarHBondContact O-N 3.37Å
142	D	35.2	Very low	52.9	Low	131 Å²	131	100 Å²	100	70%	0.701	60%	0.599	S	S	*	*			trans	-67.4	113.4	175.9	-175.6	8.3	0	0	0	109.9	S144	D142-S144 WeakPolarHBondContact OD1-CB 3.22Å; D142-S144 PolarHBondContact OD1-N 3.28Å; D142-S144 PolarHBondContact OD1-OG 2.98Å
143	L	42.8	Very low	49.9	Very low	123 Å²	123	105.7 Å²	105.7	64%	0.644	64%	0.636	S	S	*	*			trans	-98.4	12.1	177.4	-109.2	78.5	0	0	0	112.9	I141 G145 L146	I141-L143 HydrophobicContact CB-CD1 4.39Å; I141-L143 HydrophobicContact CG2-CD1 3.88Å; I141-L143 PolarHBondContact O-N 3.37Å; L143-G145 PolarHBondContact O-N 3.01Å; L143-L146 PolarHBondContact O-N 3.4Å
144	S	39.1	Very low	46.8	Very low	99 Å²	99	112 Å²	112	69%	0.692	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-1.7	-176.7	-52.4	0	0	0	0	114.8	D142	D142-S144 WeakPolarHBondContact OD1-CB 3.22Å; D142-S144 PolarHBondContact OD1-N 3.28Å; D142-S144 PolarHBondContact OD1-OG 2.98Å
145	G	40	Very low	43.7	Very low	70 Å²	70	111.8 Å²	111.8	72%	0.722	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-6.8	177.7	0	0	0	0	0	116.2	L143	L143-G145 PolarHBondContact O-N 3.01Å
146	L	37.5	Very low	40.8	Very low	142 Å²	142	116.2 Å²	116.2	74%	0.743	71%	0.714	S	S	*	*			trans	-108.5	64.8	-176	-67.8	176.8	0	0	0	113.1	L143 L148	L143-L146 PolarHBondContact O-N 3.4Å; L146-L148 PolarHBondContact O-N 3.29Å
147	T	36.7	Very low	38.2	Very low	120 Å²	120	122.5 Å²	122.5	74%	0.736	75%	0.745	S	S	*	*			trans	-74.5	112.4	163.2	52.8	0	0	0	0	109.8	Q149	T147-Q149 PolarHBondContact O-N 3.24Å
148	L	34.9	Very low	36.3	Very low	169 Å²	169	123.3 Å²	123.3	89%	0.885	75%	0.75	S	S	*	*			trans	-58.8	110.8	171.2	-77.4	97.1	0	0	0	110.5	L146 S150	L146-L148 PolarHBondContact O-N 3.29Å; L148-S150 PolarHBondContact O-N 3.49Å; L148-S150 VanDerWaalsContact O-N 3.1Å
149	Q	31.8	Very low	35.1	Very low	171 Å²	171	128.2 Å²	128.2	80%	0.799	77%	0.765	S	S	*	*			trans	-75	93.5	159.4	-75.7	-173.4	-7.9	0	0	108.6	T147 N151	T147-Q149 PolarHBondContact O-N 3.24Å; Q149-N151 PolarHBondContact O-N 2.83Å; Q149-N151 VanDerWaalsContact O-N 3.12Å
150	S	28.4	Very low	34.6	Very low	107 Å²	107	129.9 Å²	129.9	75%	0.748	77%	0.767	S	S	*	*			trans	-71.3	99.4	169.6	-173.2	0	0	0	0	109.4	L148 A152	L148-S150 PolarHBondContact O-N 3.49Å; L148-S150 VanDerWaalsContact O-N 3.1Å; S150-A152 PolarHBondContact O-N 2.89Å; S150-A152 VanDerWaalsContact O-N 3.16Å
151	N	28.7	Very low	33.9	Very low	159 Å²	159	132.5 Å²	132.5	85%	0.85	76%	0.758	S	S	*	*			trans	-75.2	98.3	170.4	-89.1	-5.7	0	0	0	109.9	Q149	Q149-N151 PolarHBondContact O-N 2.83Å; Q149-N151 VanDerWaalsContact O-N 3.12Å
152	A	30.3	Very low	33.1	Very low	79 Å²	79	137.7 Å²	137.7	65%	0.653	77%	0.772	S	S	*	*			trans	-109.4	135	162.1	0	0	0	0	0	109.5	S150	S150-A152 PolarHBondContact O-N 2.89Å; S150-A152 VanDerWaalsContact O-N 3.16Å
153	P	33.8	Very low	32.8	Very low	120 Å²	120	136.8 Å²	136.8	78%	0.779	77%	0.771	S	S	*	*			trans	-75.6	142.4	-179.1	31	-34.4	0	0	0	111.4	S155	P153-S155 PolarHBondContact O-N 2.77Å
154	P	31.8	Very low	32.2	Very low	134 Å²	134	138.5 Å²	138.5	87%	0.87	78%	0.776	S	S	*	*			trans	-79.2	112.1	-179.7	30.7	-32.8	0	0	0	111.3
155	S	30.6	Very low	31.7	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	77%	0.772	S	S	*	*			trans	-85.6	124.8	165.4	59.8	0	0	0	0	110.9	P153	P153-S155 PolarHBondContact O-N 2.77Å
156	M	32.1	Very low	31.1	Very low	180 Å²	180	145 Å²	145	89%	0.887	78%	0.777	S	S	*	*			trans	32.4	104	147.7	-63.6	-70.3	-148.9	0	0	117.5
157	L	35.4	Very low	30.6	Very low	179 Å²	179	146.7 Å²	146.7	94%	0.937	78%	0.782	S	S	*	*			trans	-120.1	135.9	149.9	-77.8	178.4	0	0	0	110.3
158	V	31.3	Very low	30.2	Very low	134 Å²	134	144.9 Å²	144.9	81%	0.812	79%	0.786	S	S	*	*			trans	-79.7	145.4	-170.8	173	0	0	0	0	110.5
159	K	26.7	Very low	29.8	Very low	153 Å²	153	145.9 Å²	145.9	67%	0.665	79%	0.787	S	S	*	*			trans	-74.3	128.2	175.5	-179.2	-161.3	-169.3	-159.1	0	110.1	E161	K159-E161 HydrophobicContact CD-CG 4.24Å; K159-E161 VanDerWaalsContact CE-OE1 3.24Å; K159-E161 WeakPolarHBondContact CE-OE1 3.26Å; K159-E161 HydrophobicContact CG-CG 4.3Å; K159-E161 IonicContact NZ-OE1 2.81Å; K159-E161 PolarHBondContact NZ-OE1 2.75Å
160	D	30	Very low	30.5	Very low	166 Å²	166	142.9 Å²	142.9	89%	0.888	78%	0.782	S	S	*	*			trans	-120.7	147	156.6	-94.3	-51.2	0	0	0	109.4
161	E	28.5	Very low	30.5	Very low	132 Å²	132	143.5 Å²	143.5	62%	0.617	79%	0.786	S	S	*	*			trans	-111.7	177.4	-163.5	-61.9	-176.3	128.5	0	0	113.2	K159	K159-E161 HydrophobicContact CD-CG 4.24Å; K159-E161 VanDerWaalsContact CE-OE1 3.24Å; K159-E161 WeakPolarHBondContact CE-OE1 3.26Å; K159-E161 HydrophobicContact CG-CG 4.3Å; K159-E161 IonicContact NZ-OE1 2.81Å; K159-E161 PolarHBondContact NZ-OE1 2.75Å
162	Y	29.4	Very low	30.6	Very low	220 Å²	220	143.8 Å²	143.8	86%	0.863	79%	0.787	S	S	*	*			trans	76.2	135.8	157.2	-103.2	-135.9	0	0	0	115.2
163	V	28.8	Very low	31	Very low	112 Å²	112	145.2 Å²	145.2	68%	0.679	79%	0.79	S	S	*	*			cis	-149.8	147.1	19.3	178.4	0	0	0	0	111
164	H	31	Very low	30.6	Very low	159 Å²	159	145.1 Å²	145.1	74%	0.736	79%	0.787	S	S	*	*			trans	1.6	156.3	134.5	-99.7	-35.6	0	0	0	118.7
165	D	28.3	Very low	30.4	Very low	115 Å²	115	148 Å²	148	62%	0.615	79%	0.788	S	S	*	*			cis	-166.9	169.7	6	-145.9	2.5	0	0	0	111.7
166	F	26.5	Very low	30.2	Very low	189 Å²	189	146.3 Å²	146.3	83%	0.829	79%	0.788	S	S	*	*				149.2	136.3	122.2	-134.8	-95	0	0	0	114.7
167	E	28.4	Very low	30.1	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	79%	0.786	S	S	*	*			trans	-89.5	167.9	-172.7	-59.7	175.8	90.4	0	0	114.6
168	G	27.4	Very low	29.7	Very low	81 Å²	81	143.1 Å²	143.1	84%	0.835	78%	0.778	S	S	*	*			trans	160.7	78	161.3	0	0	0	0	0	118.5
169	Q	27.5	Very low	29.8	Very low	191 Å²	191	144.8 Å²	144.8	89%	0.893	78%	0.78	S	S	*	*			trans	-84.2	174.5	159.1	-102.5	-170.6	-19.6	0	0	110.9
170	P	46.6	Very low	29.7	Very low	107 Å²	107	146.2 Å²	146.2	70%	0.695	79%	0.789	S	S	*	*			cis	-136.4	-163.2	-27.7	37.4	-18.1	0	0	0	112.8
171	S	28.1	Very low	29.6	Very low	120 Å²	120	144 Å²	144	84%	0.839	78%	0.782	S	S	*	*			trans	107.5	139.5	154	77.6	0	0	0	0	120.9
172	L	30.1	Very low	30.3	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	79%	0.789	S	S	*	*			trans	-98.1	173.6	172.8	-78.1	155.9	0	0	0	109.1
173	P	38.5	Very low	30	Very low	110 Å²	110	143.3 Å²	143.3	71%	0.714	79%	0.79	S	S	*	*			cis	-142.8	-174.6	17.6	35.5	-12.5	0	0	0	117.5
174	T	26.6	Very low	30.4	Very low	117 Å²	117	146.3 Å²	146.3	72%	0.718	80%	0.796	S	S	*	*			trans	109.5	117	146.4	-35.2	0	0	0	0	118.8
175	E	26.3	Very low	30.7	Very low	194 Å²	194	144.6 Å²	144.6	91%	0.907	80%	0.799	S	S	*	*			trans	45	132.7	157	-64.9	-167	158.8	0	0	123.3
176	G	27.9	Very low	31.6	Very low	70 Å²	70	144.9 Å²	144.9	72%	0.722	81%	0.807	S	S	*	*			trans	166.5	52.8	169	0	0	0	0	0	118.7
177	H	28.6	Very low	31.7	Very low	182 Å²	182	141.3 Å²	141.3	84%	0.843	81%	0.806	S	S	*	*			trans	35.9	108.7	154	-73.5	87.8	0	0	0	121.2
178	S	27.7	Very low	31.8	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	81%	0.807	S	S	*	*				147.8	132.5	107.7	-74.5	0	0	0	0	117.3
179	I	32.1	Very low	31.8	Very low	170 Å²	170	148.5 Å²	148.5	87%	0.872	81%	0.812	S	S	*	*			trans	79.2	109.3	163.5	-49.7	-160.5	0	0	0	118.8
180	Q	26.3	Very low	31.9	Very low	182 Å²	182	143.8 Å²	143.8	85%	0.85	81%	0.806	S	S	*	*			trans	-166.2	151.4	179.8	-105.1	-173.5	2.4	0	0	107.3
181	T	28.1	Very low	31.1	Very low	120 Å²	120	143.7 Å²	143.7	74%	0.736	81%	0.807	S	S	*	*			cis	-151.4	174	-10.5	-33.8	0	0	0	0	109
182	I	41.4	Very low	31.2	Very low	149 Å²	149	144.9 Å²	144.9	76%	0.764	81%	0.81	S	S	*	*			trans	-59.2	138.5	165	-62.7	160.3	0	0	0	111.4
183	Q	24.3	Very low	31.1	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	81%	0.809	S	S	*	*			trans	-171.2	148	144.3	-110	164	24.9	0	0	115.6
184	H	36.2	Very low	30.6	Very low	174 Å²	174	146 Å²	146	81%	0.806	81%	0.809	S	S	*	*			trans	-87.6	157.4	163.8	-63.4	-118.5	0	0	0	109.6
185	P	38.8	Very low	30.6	Very low	124 Å²	124	150.3 Å²	150.3	81%	0.805	81%	0.814	S	S	*	*				-154.6	178.3	91.9	38.2	-17.8	0	0	0	115.8
186	P	45.9	Very low	30.7	Very low	120 Å²	120	146.2 Å²	146.2	78%	0.779	81%	0.807	S	S	*	*			trans	-103.2	158.7	179.4	38.3	-33	0	0	0	114.8
187	S	30	Very low	31	Very low	115 Å²	115	147.1 Å²	147.1	80%	0.804	81%	0.808	S	S	*	*			trans	-167.4	134.4	158.9	-87.1	0	0	0	0	115.3
188	N	29.1	Very low	31.3	Very low	160 Å²	160	144.7 Å²	144.7	86%	0.856	81%	0.808	S	S	*	*			trans	31.3	130.3	144.3	-65.1	-19	0	0	0	122.4
189	R	28	Very low	31.6	Very low	251 Å²	251	143.7 Å²	143.7	95%	0.947	81%	0.806	S	S	*	*				-164.1	150.7	100	-154.8	165	179.7	160.7	-1.3	112.4
190	A	28.8	Very low	31.7	Very low	91 Å²	91	144.1 Å²	144.1	75%	0.752	81%	0.809	S	S	*	*			trans	-110.9	156.8	176.3	0	0	0	0	0	112.4
191	S	30.4	Very low	32	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	81%	0.811	S	S	*	*			trans	-167.4	124.7	154.2	50.1	0	0	0	0	114.6
192	T	29.8	Very low	32.2	Very low	145 Å²	145	141.9 Å²	141.9	89%	0.89	81%	0.81	S	S	*	*			trans	72.2	151.3	146.5	50	0	0	0	0	121.3
193	E	29	Very low	32.1	Very low	179 Å²	179	141.1 Å²	141.1	84%	0.836	82%	0.815	S	S	*	*			trans	-117.8	173.8	-154.2	-58.9	172.2	103.7	0	0	114.4
194	T	27.2	Very low	32.5	Very low	119 Å²	119	137.9 Å²	137.9	73%	0.73	81%	0.813	S	S	*	*			trans	91.6	137.6	143	14.8	0	0	0	0	122.8
195	Y	27.4	Very low	32.4	Very low	208 Å²	208	138.3 Å²	138.3	82%	0.816	82%	0.815	S	S	*	*			trans	83.4	101.5	157.6	-88.4	-91.3	0	0	0	122.4
196	S	28.2	Very low	31.9	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	82%	0.819	S	S	*	*				87	136.2	128.2	-79.5	0	0	0	0	123.6
197	A	33.8	Very low	31.1	Very low	90 Å²	90	140.1 Å²	140.1	74%	0.744	82%	0.821	S	S	*	*			trans	-80.5	176	165.6	0	0	0	0	0	112.1
198	P	35.4	Very low	31	Very low	130 Å²	130	139.1 Å²	139.1	84%	0.844	82%	0.82	S	S	*	*				-126.9	146.4	126.9	35.1	-28.3	0	0	0	113.1
199	A	33.9	Very low	31	Very low	88 Å²	88	137.7 Å²	137.7	73%	0.727	82%	0.817	S	S	*	*			trans	-87.2	160.7	168.5	0	0	0	0	0	111.2
200	L	33.3	Very low	31.1	Very low	179 Å²	179	131.7 Å²	131.7	94%	0.937	81%	0.814	S	S	*	*			trans	-108.5	146.6	162.7	-75	175.9	0	0	0	110.5
201	L	32.8	Very low	31.1	Very low	170 Å²	170	133.3 Å²	133.3	89%	0.89	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-92.4	154.4	-157.5	-69.9	158.6	0	0	0	114.1
202	A	33	Very low	31.1	Very low	85 Å²	85	134 Å²	134	70%	0.702	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.3	156.8	153.8	0	0	0	0	0	110.4
203	P	38.7	Very low	31	Very low	134 Å²	134	134.2 Å²	134.2	87%	0.87	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.8	152.7	168	-9.7	27.6	0	0	0	112.2
204	S	33.1	Very low	31.2	Very low	120 Å²	120	134.9 Å²	134.9	84%	0.839	81%	0.811	S	S	*	*			trans	-103	178	-168.2	55.7	0	0	0	0	115.3
205	E	33.6	Very low	31.8	Very low	183 Å²	183	135.4 Å²	135.4	86%	0.855	82%	0.816	S	S	*	*			trans	-74.9	174.2	-164.2	-53.6	167.3	113.5	0	0	116.7
206	S	28.5	Very low	31.9	Very low	127 Å²	127	131.8 Å²	131.8	89%	0.888	81%	0.811	S	S	*	*			trans	-144.4	133.8	146.8	-69.7	0	0	0	0	110.1
207	N	29.8	Very low	32.1	Very low	155 Å²	155	133.5 Å²	133.5	83%	0.829	81%	0.81	S	S	*	*			trans	-106.1	141.1	-168.9	-170.6	19.7	0	0	0	111.1
208	A	27.9	Very low	32.5	Very low	95 Å²	95	135 Å²	135	79%	0.785	81%	0.812	S	S	*	*			trans	-156.1	123.7	168.6	0	0	0	0	0	112.9
209	T	29.3	Very low	32.3	Very low	129 Å²	129	135.1 Å²	135.1	79%	0.791	81%	0.81	S	S	*	*			trans	-88.5	134.5	172.5	41.3	0	0	0	0	112.4
210	S	28.9	Very low	32	Very low	125 Å²	125	135.3 Å²	135.3	87%	0.874	81%	0.812	S	S	*	*			trans	-150.4	152.8	154.7	-54.1	0	0	0	0	112.1
211	T	28.9	Very low	31.7	Very low	126 Å²	126	131.2 Å²	131.2	77%	0.773	80%	0.798	S	S	*	*			trans	-106.9	169.8	-174.5	44	0	0	0	0	113.5
212	T	30	Very low	31.5	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.724	80%	0.798	S	S	*	*			trans	98.1	139.7	151.8	74.5	0	0	0	0	121.8
213	N	27.5	Very low	31.5	Very low	150 Å²	150	131.1 Å²	131.1	80%	0.802	80%	0.801	S	S	*	*			trans	82.6	106.6	145.7	-63.9	-12.2	0	0	0	122.6
214	F	33.8	Very low	31.2	Very low	194 Å²	194	133.1 Å²	133.1	85%	0.851	80%	0.799	S	S	*	*			trans	-50.4	152.8	138.3	-86	-85.6	0	0	0	111.4
215	P	40.5	Very low	31.6	Very low	130 Å²	130	133.2 Å²	133.2	84%	0.844	80%	0.797	S	S	*	*				-141.7	-178.2	93.1	37.6	-21.2	0	0	0	115.8
216	N	29.5	Very low	31.4	Very low	132 Å²	132	128 Å²	128	71%	0.706	78%	0.784	S	S	*	*			trans	-103.4	166	-164.2	-133.3	-5.3	0	0	0	112
217	I	33	Very low	31.5	Very low	143 Å²	143	126.4 Å²	126.4	73%	0.733	77%	0.774	S	S	*	*			trans	74.1	154.1	148.3	-71.4	165.4	0	0	0	116.1
218	P	41.4	Very low	31.5	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	77%	0.77	S	S	*	*			cis	-128.8	177	16.6	18	9	0	0	0	120.1
219	V	31.9	Very low	31.5	Very low	134 Å²	134	129 Å²	129	81%	0.812	77%	0.772	S	S	*	*			trans	-83.7	153	173.9	168.5	0	0	0	0	113.4
220	A	27.6	Very low	31.3	Very low	92 Å²	92	127.4 Å²	127.4	76%	0.76	77%	0.772	S	S	*	*			trans	174.2	155.2	138	0	0	0	0	0	111.9
221	S	27.2	Very low	31.1	Very low	93 Å²	93	125 Å²	125	65%	0.65	77%	0.767	S	S	*	*			cis	-176.1	177.3	-24	-95.5	0	0	0	0	109
222	T	28.2	Very low	31.1	Very low	142 Å²	142	123.6 Å²	123.6	87%	0.871	76%	0.762	S	S	*	*			trans	80.9	135.5	170.6	71.4	0	0	0	0	116.7
223	S	32	Very low	31	Very low	111 Å²	111	126.4 Å²	126.4	78%	0.776	77%	0.767	S	S	*	*			cis	-152.5	140.5	1.6	43.9	0	0	0	0	113.1
224	Q	32.7	Very low	31	Very low	175 Å²	175	124.1 Å²	124.1	82%	0.818	76%	0.762	S	S	*	*			trans	-87.5	167.7	151	-69.4	-166.2	-15.4	0	0	109.6
225	P	40.9	Very low	30.7	Very low	123 Å²	123	124.6 Å²	124.6	80%	0.799	77%	0.767	S	S	*	*				-117.9	143	82.4	-3.5	25.4	0	0	0	112.4
226	A	30.4	Very low	30.1	Very low	72 Å²	72	121.9 Å²	121.9	60%	0.595	76%	0.763	S	S	*	*				75	141.8	78.9	0	0	0	0	0	112.5
227	S	30.5	Very low	29.9	Very low	95 Å²	95	123.2 Å²	123.2	66%	0.664	77%	0.77	S	S	*	*			cis	-173.6	155.1	13.5	-135.6	0	0	0	0	112.2
228	I	28.8	Very low	29.7	Very low	148 Å²	148	122.8 Å²	122.8	76%	0.759	77%	0.768	S	S	*	*			trans	35.2	155.8	148.1	53.8	162.6	0	0	0	122.5
229	L	28.3	Very low	29.1	Very low	156 Å²	156	125.6 Å²	125.6	82%	0.817	77%	0.77	S	S	*	*			cis	-158.2	-178.9	8.6	-126.4	161.3	0	0	0	111.1
230	A	25.2	Very low	28.9	Very low	96 Å²	96	127 Å²	127	79%	0.793	77%	0.772	S	S	*	*			trans	-80.7	170.4	-178.5	0	0	0	0	0	115.6
231	G	25.2	Very low	28.8	Very low	75 Å²	75	126.6 Å²	126.6	77%	0.773	77%	0.769	S	S	*	*			trans	143.3	94.8	144.8	0	0	0	0	0	119.9
232	S	27.8	Very low	28.9	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	78%	0.781	S	S	*	*			trans	12.9	159.8	142.1	-161.8	0	0	0	0	124.4
233	H	29.4	Very low	28.7	Very low	177 Å²	177	125.1 Å²	125.1	82%	0.819	78%	0.776	S	S	*	*			trans	85.9	141.7	168.4	-53.3	-76.7	0	0	0	116.3
234	S	27.5	Very low	29.4	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	78%	0.782	S	S	*	*			cis	-162.5	150.6	4.9	44.7	0	0	0	0	113.9
235	E	27.2	Very low	29.3	Very low	203 Å²	203	126.2 Å²	126.2	95%	0.949	78%	0.781	S	S	*	*			trans	48.8	149.7	146	-61.2	-159.1	121.8	0	0	125.8
236	G	26.4	Very low	29.2	Very low	74 Å²	74	126.3 Å²	126.3	76%	0.763	78%	0.781	S	S	*	*			trans	110.2	91.8	157.9	0	0	0	0	0	116.2
237	L	27.4	Very low	29.1	Very low	160 Å²	160	125.7 Å²	125.7	84%	0.838	78%	0.782	S	S	*	*				83.1	136.5	74	-157.5	87.9	0	0	0	115.4
238	L	28.4	Very low	29	Very low	134 Å²	134	129 Å²	129	70%	0.702	79%	0.787	S	S	*	*			trans	76.2	127.9	174.1	-47.9	178.3	0	0	0	115.6
239	Q	28.6	Very low	29	Very low	179 Å²	179	129.7 Å²	129.7	84%	0.836	79%	0.787	S	S	*	*			cis	73.2	103.4	25.3	-159.6	178.6	47.7	0	0	115.2
240	I	28	Very low	29	Very low	165 Å²	165	129.5 Å²	129.5	85%	0.846	78%	0.782	S	S	*	*			trans	-152.9	147.8	161.3	-88.9	127.1	0	0	0	109.7
241	A	24.7	Very low	29.1	Very low	83 Å²	83	132 Å²	132	69%	0.686	78%	0.782	S	S	*	*			trans	-137.9	157	169.2	0	0	0	0	0	111.1
242	S	28.7	Very low	29	Very low	129 Å²	129	131.5 Å²	131.5	90%	0.902	78%	0.777	S	S	*	*			trans	63.8	133.3	150.2	-56.7	0	0	0	0	123.4
243	G	24.9	Very low	29	Very low	75 Å²	75	137 Å²	137	77%	0.773	79%	0.789	S	S	*	*			trans	121	162.7	148.5	0	0	0	0	0	116.8
244	P	46.1	Very low	29.1	Very low	138 Å²	138	134.9 Å²	134.9	90%	0.896	79%	0.789	S	S	*	*			cis	-138.5	-163.4	-7.4	41.8	-21.9	0	0	0	116.5
245	Q	30	Very low	29.1	Very low	171 Å²	171	133.9 Å²	133.9	80%	0.799	79%	0.794	S	S	*	*			trans	-74.9	175.9	-169.2	-78.7	-170.9	-33.5	0	0	118.9
246	P	40.2	Very low	29.1	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	79%	0.792	S	S	*	*				-100.6	-173	70.5	-15.3	34.5	0	0	0	115.9
247	G	27.5	Very low	29.8	Very low	60 Å²	60	135.2 Å²	135.2	62%	0.619	79%	0.791	S	S	*	*			cis	122.9	137.5	-0.7	0	0	0	0	0	113.3
248	Q	28.3	Very low	29.6	Very low	165 Å²	165	131.4 Å²	131.4	77%	0.771	78%	0.782	S	S	*	*			cis	-159.3	165.2	-3	-67.7	-163.3	29.1	0	0	112.7
249	Q	28.9	Very low	29.5	Very low	161 Å²	161	130.3 Å²	130.3	75%	0.752	78%	0.781	S	S	*	*			trans	64.4	147.7	154.1	-72.6	175.1	43	0	0	121.3
250	Q	28.4	Very low	29.2	Very low	152 Å²	152	131.9 Å²	131.9	71%	0.71	78%	0.781	S	S	*	*			cis	-168.8	162	-20.7	-157.4	-175.6	12.1	0	0	111.3
251	N	27.6	Very low	29.1	Very low	148 Å²	148	133.4 Å²	133.4	79%	0.791	78%	0.784	S	S	*	*			trans	67.7	142.9	166.8	-63.3	-20.8	0	0	0	118.4
252	G	23.8	Very low	29.2	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	79%	0.788	S	S	*	*			cis	146.7	144.8	11.3	0	0	0	0	0	110.4
253	F	27.1	Very low	29	Very low	213 Å²	213	138.2 Å²	138.2	93%	0.934	78%	0.783	S	S	*	*			trans	84.4	165.3	170.3	-77.5	-81.1	0	0	0	122.1
254	T	31.4	Very low	29	Very low	131 Å²	131	138.7 Å²	138.7	80%	0.804	77%	0.774	S	S	*	*			trans	-119.6	150.3	-142.3	49.3	0	0	0	0	115.1
255	G	27.7	Very low	28.1	Very low	81 Å²	81	137.5 Å²	137.5	84%	0.835	77%	0.765	S	S	*	*			trans	-173	130.6	164.4	0	0	0	0	0	115.1
256	Q	27.2	Very low	28	Very low	192 Å²	192	135.3 Å²	135.3	90%	0.897	76%	0.763	S	S	*	*			trans	-109.9	174.6	163	-95.8	-163.7	-1.8	0	0	108.4
257	P	40.1	Very low	27.3	Very low	114 Å²	114	134.6 Å²	134.6	74%	0.74	76%	0.756	S	S	*	*			cis	-134.2	-154.7	-9.5	30	-5.5	0	0	0	113.1
258	A	24.9	Very low	27.2	Very low	80 Å²	80	143.2 Å²	143.2	66%	0.661	77%	0.77	S	S	*	*			trans	85.9	105	163.4	0	0	0	0	0	117.4
259	T	24.8	Very low	27.1	Very low	111 Å²	111	141.5 Å²	141.5	68%	0.681	77%	0.771	S	S	*	*				54.6	127.8	89.3	63.4	0	0	0	0	113.7
260	Y	23.8	Very low	26.9	Very low	211 Å²	211	137.6 Å²	137.6	83%	0.827	77%	0.774	S	S	*	*			cis	-149.4	149.3	42	-74.1	-101.8	0	0	0	112.7
261	H	25.3	Very low	26.8	Very low	198 Å²	198	136 Å²	136	92%	0.917	78%	0.78	S	S	*	*			trans	-145.5	123.4	147.8	-100.2	-74.1	0	0	0	110.2
262	H	25.7	Very low	26.8	Very low	165 Å²	165	141 Å²	141	76%	0.764	79%	0.788	S	S	*	*			trans	-92.6	125.3	176	176.6	50	0	0	0	109	S264	H262-S264 PolarHBondContact CE1-OG 2.77Å; H262-S264 PolarHBondContact NE2-OG 2.81Å
263	N	25.4	Very low	27.1	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	80%	0.795	S	S	*	*			trans	-136.5	118.8	166.1	-160.9	9.7	0	0	0	108.4	T265	N263-T265 PolarHBondContact O-N 2.96Å
264	S	25.7	Very low	27.1	Very low	85 Å²	85	138.7 Å²	138.7	59%	0.594	79%	0.789	S	S	*	*			trans	-88.9	97.4	-171.7	-75.4	0	0	0	0	111.3	H262	H262-S264 PolarHBondContact CE1-OG 2.77Å; H262-S264 PolarHBondContact NE2-OG 2.81Å
265	T	27.2	Very low	27.6	Very low	114 Å²	114	137.9 Å²	137.9	70%	0.699	79%	0.786	S	S	*	*			trans	-100.2	106.4	167.1	-51.1	0	0	0	0	109.7	N263 T267	N263-T265 PolarHBondContact O-N 2.96Å; T265-T267 PolarHBondContact O-N 3.1Å; T265-T267 VanDerWaalsContact O-N 3.13Å
266	T	27.3	Very low	27.7	Very low	124 Å²	124	144.9 Å²	144.9	76%	0.761	79%	0.788	S	S	*	*			trans	-75.9	101.4	178.5	-51.7	0	0	0	0	110.5
267	T	25	Very low	27.8	Very low	109 Å²	109	142.2 Å²	142.2	67%	0.669	79%	0.785	S	S	*	*			trans	-91.6	119.9	175.2	-51.4	0	0	0	0	109.7	T265 T269	T265-T267 PolarHBondContact O-N 3.1Å; T265-T267 VanDerWaalsContact O-N 3.13Å; T267-T269 HydrophobicContact CG2-CG2 4.23Å
268	W	24.9	Very low	27.7	Very low	241 Å²	241	142.5 Å²	142.5	91%	0.913	79%	0.787	S	S	*	*			trans	-86.5	129.7	165.9	-96.5	67.3	0	0	0	109.9
269	T	26.1	Very low	27.9	Very low	129 Å²	129	146.7 Å²	146.7	79%	0.791	80%	0.798	S	S	*	*			trans	-117.2	136.2	174.1	52.5	0	0	0	0	110.3	T267	T267-T269 HydrophobicContact CG2-CG2 4.23Å
270	G	25.9	Very low	28.2	Very low	79 Å²	79	148.9 Å²	148.9	81%	0.814	81%	0.805	S	S	*	*			trans	-175.6	79.8	-176.3	0	0	0	0	0	111.8
271	S	26.3	Very low	28.6	Very low	120 Å²	120	143.8 Å²	143.8	84%	0.839	80%	0.798	S	S	*	*			trans	-78	134.9	-174.3	-63.8	0	0	0	0	113.5
272	R	27.6	Very low	29.2	Very low	253 Å²	253	141.2 Å²	141.2	96%	0.955	79%	0.786	S	S	*	*			trans	-143.1	154.9	145.6	-75.4	-160.3	174.6	-173	-1.3	110.4
273	T	29	Very low	29.8	Very low	132 Å²	132	141.5 Å²	141.5	81%	0.81	79%	0.787	S	S	*	*			trans	-112.6	124.1	-154	46.2	0	0	0	0	115.4
274	A	28.1	Very low	30.6	Very low	97 Å²	97	141.7 Å²	141.7	80%	0.802	78%	0.783	S	S	*	*			trans	58.5	167.2	145	0	0	0	0	0	119.9
275	P	41.9	Very low	31.7	Very low	114 Å²	114	144.9 Å²	144.9	74%	0.74	79%	0.794	S	S	*	*			cis	-131.6	159.5	-1.2	39.6	-22.5	0	0	0	117.7
276	Y	29.3	Very low	33.2	Very low	227 Å²	227	140.5 Å²	140.5	89%	0.89	77%	0.772	S	S	*	*			trans	44	120.9	148.1	-86	-93.6	0	0	0	123.5
277	T	29.3	Very low	35.6	Very low	137 Å²	137	136.5 Å²	136.5	84%	0.84	74%	0.744	S	S	*	*			trans	-160.7	160.3	134.7	5.4	0	0	0	0	109.4
278	P	38.3	Very low	38.5	Very low	119 Å²	119	132.5 Å²	132.5	77%	0.773	72%	0.718	S	S	*	*			trans	-86	153.8	-147.2	32.5	-37.9	0	0	0	116.9	L280	P278-L280 PolarHBondContact O-N 3.1Å
279	N	28.9	Very low	41.5	Very low	168 Å²	168	122.5 Å²	122.5	90%	0.898	68%	0.682	S	S	*	*			trans	-56	129.6	175.8	-78.3	-21.7	0	0	0	113.5
280	L	30.9	Very low	44.6	Very low	157 Å²	157	121.1 Å²	121.1	82%	0.822	67%	0.666	S	S	*	*			trans	-106.5	137.1	153.7	-153.4	72	0	0	0	107.3	P278 H282	P278-L280 PolarHBondContact O-N 3.1Å; L280-H282 PolarHBondContact O-N 3.03Å
281	P	33.3	Very low	47.5	Very low	104 Å²	104	119.2 Å²	119.2	68%	0.675	64%	0.636	S	S	*	*			trans	-68.5	100.6	-176.4	26.5	-34.4	0	0	0	111.2	H283	P281-H283 PolarHBondContact O-N 3.47Å
282	H	37.3	Very low	49.7	Very low	145 Å²	145	117 Å²	117	67%	0.671	62%	0.619	S	S	*	*			trans	-78	100.4	176.7	-162.6	73.9	0	0	0	109	L280 Q284	L280-H282 PolarHBondContact O-N 3.03Å; H282-Q284 PolarHBondContact CD2-NE2 3.35Å; H282-Q284 VanDerWaalsContact CD2-NE2 3.31Å; H282-Q284 PolarHBondContact NE2-NE2 3.17Å; H282-Q284 PolarHBondContact O-N 2.87Å
283	H	38.5	Very low	51.7	Low	171 Å²	171	108 Å²	108	79%	0.792	59%	0.594	S	S	*	*			trans	-71.6	73.6	174	-81.5	-91	0	0	0	110.5	P281 N285	P281-H283 PolarHBondContact O-N 3.47Å; H283-N285 PolarHBondContact O-N 2.96Å
284	Q	41.3	Very low	54	Low	150 Å²	150	108.7 Å²	108.7	70%	0.701	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	21.2	-165.5	-154.2	166.6	45.7	0	0	115.8	H282	H282-Q284 PolarHBondContact CD2-NE2 3.35Å; H282-Q284 VanDerWaalsContact CD2-NE2 3.31Å; H282-Q284 PolarHBondContact NE2-NE2 3.17Å; H282-Q284 PolarHBondContact O-N 2.87Å
285	N	49.2	Very low	55.8	Low	152 Å²	152	108.4 Å²	108.4	81%	0.813	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	10.7	-174.9	-111.4	-8.4	0	0	0	115.1	H283	H283-N285 PolarHBondContact O-N 2.96Å
286	G	59	Low	56.5	Low	23 Å²	23	108.9 Å²	108.9	24%	0.237	58%	0.582	C	S	.	*			trans	-80.1	149.6	173.3	0	0	0	0	0	113.1	Q289	G286-Q289 PolarHBondContact O-NE2 3.41Å
287	H	76.6	Confident	57.1	Low	40 Å²	40	105 Å²	105	19%	0.185	57%	0.572	C	S	.	*	S	Bend	trans	-73.7	-35.1	169.9	-151.5	-88.1	0	0	0	110.2	D424 A425 V426 P511 D512	H287-D424 PolarHBondContact CD2-O 2.77Å; H287-D424 IonicContact CD2-OD1 3.22Å; H287-D424 PolarHBondContact CE1-O 3.09Å; H287-D424 IonicContact CE1-OD1 3.74Å; H287-D424 PolarHBondContact NE2-O 3.2Å; H287-D424 VanDerWaalsContact NE2-O 3.12Å; H287-D424 IonicContact NE2-OD1 3.4Å; H287-D424 PolarHBondContact NE2-OD1 2.79Å; H287-D424 IonicContact NE2-OD2 3.99Å; H287-A425 VanDerWaalsContact O-CA 3.28Å; H287-A425 WeakPolarHBondContact O-CA 3.44Å; H287-A425 WeakPolarHBondContact O-CB 3.32Å; H287-V426 PolarHBondContact O-N 3.15Å; H287-P511 HydrophobicContact CB-CG 4.07Å; H287-P511 WeakPolarHBondContact ND1-CD 3.43Å; H287-D512 WeakPolarHBondContact CB-OD2 3.38Å; H287-D512 PolarHBondContact N-OD2 3Å
288	L	86.7	Confident	57.8	Low	24 Å²	24	105 Å²	105	13%	0.126	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.5	123.9	167.9	-177.1	61.8	0	0	0	112.9	H290 F408 V426 K428 D512 Y513	L288-H290 WeakPolarHBondContact CD2-NE2 3.34Å; L288-F408 HydrophobicContact CD1-CD1 4.4Å; L288-F408 HydrophobicContact CD1-CE1 4.37Å; L288-V426 WeakPolarHBondContact CD1-O 3.37Å; L288-K428 HydrophobicContact CD1-CB 3.79Å; L288-D512 HydrophobicContact CB-CB 4.33Å; L288-D512 WeakPolarHBondContact CB-OD2 3.48Å; L288-D512 PolarHBondContact N-OD2 3.47Å; L288-Y513 HydrophobicContact CD1-CE2 3.91Å; L288-Y513 WeakPolarHBondContact CD1-OH 3.25Å; L288-Y513 HydrophobicContact CD2-CE2 4.11Å; L288-Y513 WeakPolarHBondContact CD2-OH 3.49Å; L288-Y513 HydrophobicContact CG-CE2 4.42Å
289	Q	88.9	Confident	57.9	Low	32 Å²	32	102.1 Å²	102.1	15%	0.15	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	137.2	174.7	-64.8	-61.2	-37.6	0	0	110.9	G286 A418 A425 V426 K428	G286-Q289 PolarHBondContact O-NE2 3.41Å; Q289-A418 HydrophobicContact CG-CB 4.31Å; Q289-A425 HydrophobicContact CG-CB 4.01Å; Q289-V426 PolarHBondContact N-O 3.28Å; Q289-K428 PolarHBondContact O-N 2.91Å
290	H	90.3	Very high	58.2	Low	100 Å²	100	101.1 Å²	101.1	46%	0.463	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	124.3	-170.7	-70.4	-106.7	0	0	0	112.8	L288 P292 Y430	L288-H290 WeakPolarHBondContact CD2-NE2 3.34Å; H290-P292 WeakPolarHBondContact O-CD 3.43Å; H290-Y430 HydrophobicContact CB-CE2 4.2Å; H290-Y430 AromaticContact ND1-CE2 3.71Å; H290-Y430 AromaticContact ND1-CZ 3.74Å; H290-Y430 PolarHBondContact ND1-OH 3.19Å
291	H	87	Confident	58.3	Low	39 Å²	39	104.6 Å²	104.6	18%	0.181	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	82	-177	-61.9	-85.5	0	0	0	110.6	H427 K428 Y430 I435	H291-H427 AromaticContact CD2-ND1 3.93Å; H291-H427 AromaticContact CE1-ND1 3.86Å; H291-H427 AromaticContact NE2-CG 3.91Å; H291-H427 AromaticContact NE2-ND1 3.09Å; H291-H427 PolarHBondContact NE2-ND1 3.41Å; H291-K428 PolarHBondContact N-O 2.75Å; H291-Y430 WeakPolarHBondContact O-CD2 3.16Å; H291-Y430 PolarHBondContact O-N 3.43Å; H291-Y430 VanDerWaalsContact O-N 3.08Å; H291-I435 HydrophobicContact CB-CD1 4.09Å; H291-I435 WeakPolarHBondContact ND1-CD1 3.44Å
292	P	71.9	Confident	58.2	Low	72 Å²	72	109.2 Å²	109.2	47%	0.468	56%	0.564	S	S	.	*			trans	-70.6	160.3	176.7	31.4	-35.6	0	0	0	111.8	H290 M294	H290-P292 WeakPolarHBondContact O-CD 3.43Å; P292-M294 PolarHBondContact O-N 3.46Å; P292-M294 VanDerWaalsContact O-N 3.12Å
293	P	70.9	Confident	58.1	Low	66 Å²	66	106.3 Å²	106.3	43%	0.429	56%	0.558	S	S	.	*			trans	-64.5	113	171.9	27	-34	0	0	0	110.7	A433	P293-A433 HydrophobicContact CB-CB 4.28Å
294	M	76	Confident	58.1	Low	145 Å²	145	104.9 Å²	104.9	71%	0.714	56%	0.561	S	S	*	*			trans	-86.5	116.3	169.6	-68.8	-74.7	-78.1	0	0	108.4	P292	P292-M294 PolarHBondContact O-N 3.46Å; P292-M294 VanDerWaalsContact O-N 3.12Å
295	P	67.2	Low	57.8	Low	91 Å²	91	104.6 Å²	104.6	59%	0.591	56%	0.559	S	S	*	*			trans	-65.9	143.9	174	28.3	-33.7	0	0	0	109.6	H297	P295-H297 PolarHBondContact O-N 2.86Å
296	P	55.5	Low	57.4	Low	124 Å²	124	103 Å²	103	81%	0.805	55%	0.551	S	S	*	*			trans	-61.5	115.5	172.3	25.6	-32.5	0	0	0	108.8	P298	P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.33Å
297	H	41.6	Very low	56.6	Low	146 Å²	146	108.8 Å²	108.8	68%	0.676	57%	0.571	S	S	*	*			trans	-60.2	117.5	-176	-77.5	-72.5	0	0	0	111.3	P295 G299	P295-H297 PolarHBondContact O-N 2.86Å; H297-G299 VanDerWaalsContact C-N 3.26Å; H297-G299 PolarHBondContact O-N 3.14Å
298	P	44.1	Very low	55.4	Low	137 Å²	137	113.2 Å²	113.2	89%	0.89	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	72.7	177.1	34.4	-33.5	0	0	0	109.3	P296	P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.33Å
299	G	40.5	Very low	53.6	Low	58 Å²	58	115.3 Å²	115.3	60%	0.598	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.8	-11.5	-172.9	0	0	0	0	0	119.3	H297	H297-G299 VanDerWaalsContact C-N 3.26Å; H297-G299 PolarHBondContact O-N 3.14Å
300	H	35.3	Very low	51.9	Low	148 Å²	148	122.5 Å²	122.5	69%	0.685	65%	0.648	S	S	*	*			trans	-136.6	98.8	171.7	-71.3	-67	0	0	0	110.9	W302	H300-W302 PolarHBondContact O-N 2.95Å
301	Y	33.2	Very low	50.8	Low	229 Å²	229	123 Å²	123	90%	0.898	65%	0.65	S	S	*	*			trans	-72.9	70.9	164	-149.7	-85.7	0	0	0	108.1	P303	Y301-P303 WeakPolarHBondContact O-CD 3.34Å
302	W	30.4	Very low	50.4	Low	202 Å²	202	125.7 Å²	125.7	77%	0.765	67%	0.671	S	S	*	*			trans	-54.9	122.9	157.8	-67.9	110.3	0	0	0	105.8	H300 V304	H300-W302 PolarHBondContact O-N 2.95Å; W302-V304 VanDerWaalsContact C-N 3.34Å; W302-V304 PolarHBondContact O-N 2.94Å
303	P	35.4	Very low	51.1	Low	84 Å²	84	125.8 Å²	125.8	55%	0.545	67%	0.672	S	S	.	*			trans	-61.6	109	167.7	26.5	-30.8	0	0	0	105.2	Y301 H305	Y301-P303 WeakPolarHBondContact O-CD 3.34Å; P303-H305 PolarHBondContact O-N 3.3Å
304	V	38.7	Very low	51.9	Low	141 Å²	141	124.3 Å²	124.3	86%	0.855	66%	0.66	S	S	*	*			trans	-65.2	83.8	163.3	-179.6	0	0	0	0	104.5	W302 N306	W302-V304 VanDerWaalsContact C-N 3.34Å; W302-V304 PolarHBondContact O-N 2.94Å; V304-N306 PolarHBondContact O-N 2.99Å
305	H	35.9	Very low	52.5	Low	144 Å²	144	118 Å²	118	67%	0.667	63%	0.63	S	S	*	*			trans	-56.2	139.2	171.8	-109.7	74.5	0	0	0	106.5	P303 E307	P303-H305 PolarHBondContact O-N 3.3Å; H305-E307 HydrophobicContact CB-CG 4Å; H305-E307 PolarHBondContact O-N 3.06Å
306	N	40.3	Very low	53.6	Low	119 Å²	119	121 Å²	121	64%	0.636	64%	0.641	S	S	*	*			trans	-74.5	53.8	-177.1	-165.8	35.8	0	0	0	110.4	V304 L308 A309	V304-N306 PolarHBondContact O-N 2.99Å; N306-L308 PolarHBondContact O-N 3.48Å; N306-A309 WeakPolarHBondContact O-CB 3.47Å; N306-A309 PolarHBondContact O-N 3Å
307	E	43.1	Very low	55.2	Low	143 Å²	143	120.3 Å²	120.3	67%	0.668	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-67	-18.9	-176.7	-63	-164.5	137	0	0	112.1	H305 A309 F310 Q311	H305-E307 HydrophobicContact CB-CG 4Å; H305-E307 PolarHBondContact O-N 3.06Å; E307-A309 PolarHBondContact O-N 3.31Å; E307-F310 PolarHBondContact O-N 3.32Å; E307-Q311 PolarHBondContact O-N 3.37Å
308	L	50.6	Low	57.6	Low	134 Å²	134	117.8 Å²	117.8	70%	0.702	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-62	-20.7	170.6	-134.3	78.5	0	0	0	112.8	N306 F310	N306-L308 PolarHBondContact O-N 3.48Å; L308-F310 VanDerWaalsContact C-N 3.32Å
309	A	47.8	Very low	59.8	Low	68 Å²	68	115.1 Å²	115.1	56%	0.562	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-79.5	-10.3	174	0	0	0	0	0	113.9	N306 E307	N306-A309 WeakPolarHBondContact O-CB 3.47Å; N306-A309 PolarHBondContact O-N 3Å; E307-A309 PolarHBondContact O-N 3.31Å
310	F	54.9	Low	62.4	Low	183 Å²	183	113.3 Å²	113.3	80%	0.803	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-4.5	-177.7	-71.4	-79.2	0	0	0	114.1	E307 L308	E307-F310 PolarHBondContact O-N 3.32Å; L308-F310 VanDerWaalsContact C-N 3.32Å
311	Q	65.4	Low	65.2	Low	110 Å²	110	113 Å²	113	51%	0.514	59%	0.589	S	S	.	*	S	Bend	trans	-95.6	115.6	173.4	-72.3	-89.5	-41.3	0	0	109	E307	E307-Q311 PolarHBondContact O-N 3.37Å
312	P	80.5	Confident	68.3	Low	95 Å²	95	104.9 Å²	104.9	62%	0.617	56%	0.558	S	S	*	*			trans	-62	153.9	173.8	27.2	-34.3	0	0	0	110.6	R441	P312-R441 PolarHBondContact O-NH1 3.28Å; P312-R441 PolarHBondContact O-NH2 3.22Å
313	P	85.2	Confident	71.5	Confident	75 Å²	75	96 Å²	96	49%	0.487	52%	0.524	S	S	.	.			trans	-56.1	150.6	173.7	26.9	-35.4	0	0	0	110.4	S315 E394	P313-S315 VanDerWaalsContact C-N 3.29Å; P313-S315 PolarHBondContact O-N 2.94Å; P313-E394 WeakPolarHBondContact CA-OE2 3.27Å
314	I	88.5	Confident	74.5	Confident	34 Å²	34	92 Å²	92	17%	0.174	50%	0.498	C	S	.	.	S	Bend	trans	-65.9	-36.5	-176.2	-59.8	169	0	0	0	111	E394 L440 R441 H444 L535	I314-E394 WeakPolarHBondContact CG1-OE2 3.43Å; I314-E394 PolarHBondContact N-OE1 2.9Å; I314-E394 PolarHBondContact N-OE2 3.29Å; I314-L440 HydrophobicContact CD1-CB 4.05Å; I314-L440 HydrophobicContact CD1-CD2 3.59Å; I314-L440 HydrophobicContact CD1-CG 3.58Å; I314-R441 HydrophobicContact CD1-CB 4.35Å; I314-R441 HydrophobicContact CD1-CG 3.56Å; I314-R441 HydrophobicContact CG1-CG 3.88Å; I314-H444 HydrophobicContact CG2-CB 4.11Å; I314-H444 WeakPolarHBondContact CG2-ND1 3.35Å; I314-L535 HydrophobicContact CB-CD1 4.26Å; I314-L535 HydrophobicContact CB-CD2 4.43Å; I314-L535 HydrophobicContact CD1-CD1 4.18Å; I314-L535 HydrophobicContact CG2-CD1 3.83Å; I314-L535 HydrophobicContact CG2-CD2 3.9Å
315	S	89.4	Confident	77.3	Confident	12 Å²	12	86.1 Å²	86.1	8%	0.084	46%	0.463	C	S	.	.			trans	-142.3	147.6	174.8	175	0	0	0	0	111	P313 H317 R531 L535 E538	P313-S315 VanDerWaalsContact C-N 3.29Å; P313-S315 PolarHBondContact O-N 2.94Å; S315-H317 PolarHBondContact O-N 3.22Å; S315-H317 PolarHBondContact OG-N 3.47Å; S315-R531 PolarHBondContact O-NH2 3.02Å; S315-L535 VanDerWaalsContact CB-CD2 3.46Å; S315-E538 WeakPolarHBondContact CB-OE2 3.44Å; S315-E538 PolarHBondContact OG-OE2 3.35Å
316	N	89.5	Confident	80.3	Confident	156 Å²	156	79.2 Å²	79.2	83%	0.834	43%	0.431	S	S	*	.	S	Bend	trans	-75.3	-3.9	174.1	-72	-14.4	0	0	0	113
317	H	88.8	Confident	83.1	Confident	108 Å²	108	73.9 Å²	73.9	50%	0.5	40%	0.403	S	S	.	.	S	Bend	trans	-59.6	137	176.9	-140.4	-83.5	0	0	0	110.8	S315 R531	S315-H317 PolarHBondContact O-N 3.22Å; S315-H317 PolarHBondContact OG-N 3.47Å; H317-R531 PolarHBondContact O-NH1 2.95Å
318	P	91.8	Very high	85.7	Confident	93 Å²	93	67 Å²	67	60%	0.604	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-56.1	145.6	177.7	21.6	-34.4	0	0	0	112.4	Q534	P318-Q534 PolarHBondContact O-NE2 3.39Å
319	A	90.4	Very high	88	Confident	82 Å²	82	61.9 Å²	61.9	68%	0.678	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-57.5	144.2	174.3	0	0	0	0	0	110.6
320	P	94.8	Very high	90.5	Very high	19 Å²	19	58.8 Å²	58.8	12%	0.123	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70.3	156.1	-179.2	32	-35.8	0	0	0	111	Y322 S343 H530	P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 VanDerWaalsContact CB-O 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.38Å; P320-Y322 VanDerWaalsContact CG-O 3.25Å; P320-Y322 WeakPolarHBondContact CG-O 3.4Å; P320-Y322 PolarHBondContact O-N 3.43Å; P320-S343 WeakPolarHBondContact O-CB 3.45Å; P320-S343 PolarHBondContact O-OG 2.87Å; P320-H530 HydrophobicContact CB-CB 3.97Å; P320-H530 HydrophobicContact CG-CB 3.94Å
321	E	95.4	Very high	92.5	Very high	141 Å²	141	53.3 Å²	53.3	66%	0.659	30%	0.295	S	S	*	.	S	Bend	trans	-60	-39.9	175.7	-173.7	-169.2	157.7	0	0	111.9	S343	E321-S343 PolarHBondContact O-N 2.88Å; E321-S343 PolarHBondContact O-OG 2.91Å
322	Y	97.3	Very high	94	Very high	60 Å²	60	53.6 Å²	53.6	24%	0.235	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.4	174	-54	-86.1	0	0	0	108.6	P320 K340 V341 P342 H530	P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 VanDerWaalsContact CB-O 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.38Å; P320-Y322 VanDerWaalsContact CG-O 3.25Å; P320-Y322 WeakPolarHBondContact CG-O 3.4Å; P320-Y322 PolarHBondContact O-N 3.43Å; Y322-K340 HydrophobicContact CD1-CB 3.39Å; Y322-K340 HydrophobicContact CD1-CD 4.41Å; Y322-K340 HydrophobicContact CD2-CB 4.41Å; Y322-K340 HydrophobicContact CD2-CD 4.06Å; Y322-K340 HydrophobicContact CE1-CB 3.7Å; Y322-K340 HydrophobicContact CE1-CD 4.37Å; Y322-K340 HydrophobicContact CE2-CD 4.03Å; Y322-K340 HydrophobicContact CG-CB 3.82Å; Y322-K340 HydrophobicContact CG-CD 4.29Å; Y322-V341 CarbonylContact C-O 3.52Å; Y322-V341 WeakPolarHBondContact CA-O 3.29Å; Y322-V341 WeakPolarHBondContact CB-O 3.39Å; Y322-P342 HydrophobicContact CD1-CB 4.5Å; Y322-P342 HydrophobicContact CD1-CG 4.26Å; Y322-P342 HydrophobicContact CE1-CG 4.15Å; Y322-H530 WeakPolarHBondContact O-CB 3.49Å; Y322-H530 PolarHBondContact O-ND1 3.05Å
323	W	97.5	Very high	94.8	Very high	16 Å²	16	51.4 Å²	51.4	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-27.4	178.4	70	-94.7	0	0	0	112	V341 S343 C345 V348 L389 C391 V397 L529 H530	W323-V341 HydrophobicContact CZ2-CG1 4.22Å; W323-V341 PolarHBondContact N-O 2.77Å; W323-S343 PolarHBondContact N-OG 3.28Å; W323-C345 PolarHBondContact NE1-O 2.68Å; W323-V348 HydrophobicContact CH2-CG1 4.36Å; W323-V348 HydrophobicContact CZ2-CG1 3.88Å; W323-L389 HydrophobicContact CH2-CB 3.9Å; W323-C391 HydrophobicContact CD2-CB 3.73Å; W323-C391 HydrophobicContact CE3-CB 3.78Å; W323-C391 HydrophobicContact CG-CB 4.28Å; W323-C391 HydrophobicContact CH2-CB 4.16Å; W323-C391 HydrophobicContact CZ2-CB 4.1Å; W323-C391 HydrophobicContact CZ3-CB 4Å; W323-V397 HydrophobicContact CZ3-CG1 4.34Å; W323-V397 HydrophobicContact CZ3-CG2 4.13Å; W323-L529 HydrophobicContact CE3-CD2 4.47Å; W323-L529 HydrophobicContact CZ3-CD2 4.16Å; W323-H530 PolarHBondContact O-N 3.32Å
324	C	98.3	Very high	95.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	167	169.6	73.9	0	0	0	0	113.6	V341 I527 H528 L529	C324-V341 PolarHBondContact O-N 2.79Å; C324-V341 VanDerWaalsContact SG-CG2 3.53Å; C324-I527 HydrophobicContact CB-CG2 3.84Å; C324-H528 CarbonylContact C-O 3.6Å; C324-H528 WeakPolarHBondContact CA-O 3.48Å; C324-H528 VanDerWaalsContact CB-O 3.23Å; C324-H528 WeakPolarHBondContact CB-O 3.42Å; C324-L529 HydrophobicContact CB-CD2 4.02Å
325	S	98.5	Very high	95.8	Very high	16 Å²	16	50.7 Å²	50.7	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.7	167.6	58.6	0	0	0	0	111.2	F339 H528 H530	S325-F339 CarbonylContact C-O 3.52Å; S325-F339 VanDerWaalsContact CA-O 3.27Å; S325-F339 WeakPolarHBondContact CA-O 3.46Å; S325-H528 PolarHBondContact N-O 2.96Å; S325-H528 PolarHBondContact O-N 3.3Å; S325-H530 WeakPolarHBondContact CB-NE2 3.34Å; S325-H530 PolarHBondContact N-NE2 3.48Å; S325-H530 PolarHBondContact OG-NE2 3.02Å
326	I	98.7	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.2	-170	-51.6	174.5	0	0	0	108.9	T338 F339 V341 V348 V350 F362 L389 I525 E526 I527	I326-T338 CarbonylContact O-C 3.6Å; I326-F339 HydrophobicContact CB-CB 4.45Å; I326-F339 PolarHBondContact N-O 2.86Å; I326-F339 PolarHBondContact O-N 2.92Å; I326-V341 HydrophobicContact CD1-CG2 4.05Å; I326-V341 HydrophobicContact CG1-CG2 4.45Å; I326-V348 HydrophobicContact CD1-CG1 4.08Å; I326-V348 HydrophobicContact CD1-CG2 4.39Å; I326-V350 HydrophobicContact CD1-CG2 3.78Å; I326-F362 HydrophobicContact CB-CD1 4.37Å; I326-F362 HydrophobicContact CB-CE1 4.45Å; I326-F362 HydrophobicContact CG2-CD1 4.05Å; I326-F362 HydrophobicContact CG2-CE1 4.03Å; I326-L389 HydrophobicContact CD1-CD1 3.9Å; I326-I525 HydrophobicContact CG2-CB 3.89Å; I326-I525 HydrophobicContact CG2-CD1 4.11Å; I326-I525 HydrophobicContact CG2-CG2 3.88Å; I326-E526 CarbonylContact C-O 3.59Å; I326-E526 WeakPolarHBondContact CA-O 3.36Å; I326-I527 HydrophobicContact CG1-CG1 4.26Å; I326-I527 HydrophobicContact CG1-CG2 4.24Å; I326-I527 HydrophobicContact CG2-CG1 4.38Å
327	A	98.8	Very high	96.4	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.1	171.9	0	0	0	0	0	109.7	F329 T338 I525 E526	A327-F329 HydrophobicContact CB-CD2 4.45Å; A327-F329 HydrophobicContact CB-CE2 3.68Å; A327-F329 HydrophobicContact CB-CZ 4.33Å; A327-T338 HydrophobicContact CB-CG2 4.38Å; A327-I525 CarbonylContact O-C 3.55Å; A327-I525 VanDerWaalsContact O-CA 3.27Å; A327-I525 WeakPolarHBondContact O-CA 3.35Å; A327-E526 PolarHBondContact N-O 3.18Å; A327-E526 PolarHBondContact O-N 2.96Å
328	Y	98.8	Very high	96.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.7	177.7	173	-113.1	0	0	0	111.4	E330 Q334 V335 L364 L367 R380 C523 W524 I525	Y328-E330 HydrophobicContact CE1-CG 3.74Å; Y328-E330 VanDerWaalsContact CE1-OE1 3.25Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.49Å; Y328-E330 WeakPolarHBondContact OH-CG 3.37Å; Y328-E330 PolarHBondContact OH-OE1 3.21Å; Y328-Q334 WeakPolarHBondContact O-CA 3.43Å; Y328-Q334 WeakPolarHBondContact O-CG 3.35Å; Y328-V335 HydrophobicContact CD1-CB 3.71Å; Y328-V335 HydrophobicContact CD1-CG1 3.93Å; Y328-V335 WeakPolarHBondContact CD1-O 3.46Å; Y328-V335 HydrophobicContact CE1-CB 3.85Å; Y328-V335 HydrophobicContact CE1-CG1 3.84Å; Y328-V335 PolarHBondContact O-N 2.91Å; Y328-L364 HydrophobicContact CD1-CD2 4.16Å; Y328-L364 HydrophobicContact CD2-CD1 3.76Å; Y328-L364 HydrophobicContact CD2-CD2 3.83Å; Y328-L364 HydrophobicContact CD2-CG 4.34Å; Y328-L364 HydrophobicContact CE2-CD1 3.8Å; Y328-L364 HydrophobicContact CE2-CD2 4.43Å; Y328-L364 HydrophobicContact CG-CD1 4.46Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; Y328-L367 HydrophobicContact CD1-CD1 3.61Å; Y328-L367 HydrophobicContact CE1-CD1 4.22Å; Y328-L367 HydrophobicContact CG-CD1 4.34Å; Y328-R380 PolarHBondContact OH-NH1 3.26Å; Y328-C523 HydrophobicContact CE2-CB 3.92Å; Y328-C523 WeakPolarHBondContact OH-CB 3.28Å; Y328-W524 VanDerWaalsContact CD2-O 3.29Å; Y328-W524 WeakPolarHBondContact CD2-O 3.43Å; Y328-I525 HydrophobicContact CD2-CG2 3.9Å; Y328-I525 HydrophobicContact CG-CG2 4.48Å
329	F	98.8	Very high	97.1	Very high	26 Å²	26	47.8 Å²	47.8	11%	0.114	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.3	-176	-69.8	-95.4	0	0	0	111.5	A327 V333 Q334 C523 W524 E526	A327-F329 HydrophobicContact CB-CD2 4.45Å; A327-F329 HydrophobicContact CB-CE2 3.68Å; A327-F329 HydrophobicContact CB-CZ 4.33Å; F329-V333 CarbonylContact C-O 3.59Å; F329-V333 VanDerWaalsContact CA-O 3.29Å; F329-V333 WeakPolarHBondContact CA-O 3.15Å; F329-Q334 HydrophobicContact CD1-CB 3.93Å; F329-Q334 HydrophobicContact CE1-CB 3.63Å; F329-Q334 HydrophobicContact CE1-CG 4.27Å; F329-Q334 HydrophobicContact CZ-CB 4.11Å; F329-Q334 HydrophobicContact CZ-CG 4.28Å; F329-C523 WeakPolarHBondContact O-CA 3.47Å; F329-W524 HydrophobicContact CB-CD2 3.85Å; F329-W524 HydrophobicContact CB-CG 4.12Å; F329-W524 HydrophobicContact CB-CH2 4.42Å; F329-W524 HydrophobicContact CB-CZ2 3.66Å; F329-W524 VanDerWaalsContact CB-NE1 3.33Å; F329-W524 HydrophobicContact CD1-CH2 4.31Å; F329-W524 AromaticContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CD2 4.35Å; F329-W524 HydrophobicContact CD2-CE3 4.27Å; F329-W524 AromaticContact CD2-CH2 3.75Å; F329-W524 HydrophobicContact CD2-CH2 3.75Å; F329-W524 AromaticContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ3 4Å; F329-W524 HydrophobicContact CE1-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CH2 4.01Å; F329-W524 HydrophobicContact CE2-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CZ3 4.36Å; F329-W524 HydrophobicContact CG-CD2 4.33Å; F329-W524 AromaticContact CG-CE2 3.75Å; F329-W524 AromaticContact CG-CH2 3.92Å; F329-W524 HydrophobicContact CG-CH2 3.92Å; F329-W524 AromaticContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ3 4.5Å; F329-W524 HydrophobicContact CZ-CH2 4.42Å; F329-W524 PolarHBondContact N-O 3.29Å; F329-W524 PolarHBondContact O-N 2.94Å; F329-E526 HydrophobicContact CE2-CB 4.01Å
330	E	98.4	Very high	97.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.3	167	-67.7	179.8	-178.1	0	0	107.8	Y328 D332 V333 V335 N369 R372 I376 R380 P522	Y328-E330 HydrophobicContact CE1-CG 3.74Å; Y328-E330 VanDerWaalsContact CE1-OE1 3.25Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.49Å; Y328-E330 WeakPolarHBondContact OH-CG 3.37Å; Y328-E330 PolarHBondContact OH-OE1 3.21Å; E330-D332 PolarHBondContact O-N 3.36Å; E330-V333 PolarHBondContact N-O 2.84Å; E330-V333 PolarHBondContact O-N 3.34Å; E330-V333 VanDerWaalsContact O-N 3.09Å; E330-V335 HydrophobicContact CB-CG2 3.91Å; E330-V335 HydrophobicContact CG-CB 4.47Å; E330-V335 HydrophobicContact CG-CG2 3.88Å; E330-N369 WeakPolarHBondContact OE2-CB 3.49Å; E330-N369 PolarHBondContact OE2-ND2 2.87Å; E330-R372 IonicContact OE1-CZ 3.69Å; E330-R372 IonicContact OE1-NE 3.66Å; E330-R372 PolarHBondContact OE1-NE 3.2Å; E330-R372 IonicContact OE1-NH2 3.83Å; E330-R372 PolarHBondContact OE1-NH2 3.11Å; E330-R372 IonicContact OE2-CZ 3.72Å; E330-R372 IonicContact OE2-NE 2.7Å; E330-R372 PolarHBondContact OE2-NE 3.23Å; E330-R372 IonicContact OE2-NH2 3.35Å; E330-R372 PolarHBondContact OE2-NH2 3.2Å; E330-I376 HydrophobicContact CB-CD1 4.31Å; E330-I376 HydrophobicContact CB-CG2 4.14Å; E330-I376 HydrophobicContact CG-CG2 3.85Å; E330-R380 WeakPolarHBondContact OE1-CD 3.21Å; E330-R380 IonicContact OE1-CZ 2.71Å; E330-R380 IonicContact OE1-NE 3.27Å; E330-R380 IonicContact OE1-NH1 3.68Å; E330-R380 PolarHBondContact OE1-NH1 2.84Å; E330-P522 VanDerWaalsContact CA-O 3.31Å; E330-P522 WeakPolarHBondContact CA-O 3.33Å
331	M	97.1	Very high	97.6	Very high	69 Å²	69	48.6 Å²	48.6	34%	0.34	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-123.3	-165.6	-53.5	-64.8	-65.8	0	0	111	I376 K519 T521 W524	M331-I376 HydrophobicContact CG-CD1 3.86Å; M331-I376 HydrophobicContact CG-CG1 4.43Å; M331-K519 CarbonylContact C-O 3.58Å; M331-K519 WeakPolarHBondContact CA-O 3.33Å; M331-T521 WeakPolarHBondContact CA-O 3.2Å; M331-T521 PolarHBondContact N-O 2.78Å; M331-W524 PolarHBondContact O-NE1 3.42Å
332	D	97.3	Very high	97.6	Very high	116 Å²	116	43.5 Å²	43.5	62%	0.62	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2.8	177.3	64.5	-37.1	0	0	0	113.8	E330 K519	E330-D332 PolarHBondContact O-N 3.36Å; D332-K519 HydrophobicContact CB-CB 4.43Å; D332-K519 PolarHBondContact N-O 3.39Å
333	V	97.4	Very high	97.5	Very high	48 Å²	48	43 Å²	43	29%	0.291	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.8	-175	-179.8	0	0	0	0	110.7	F329 E330 V335	F329-V333 CarbonylContact C-O 3.59Å; F329-V333 VanDerWaalsContact CA-O 3.29Å; F329-V333 WeakPolarHBondContact CA-O 3.15Å; E330-V333 PolarHBondContact N-O 2.84Å; E330-V333 PolarHBondContact O-N 3.34Å; E330-V333 VanDerWaalsContact O-N 3.09Å; V333-V335 HydrophobicContact CG1-CG2 4.44Å
334	Q	98.2	Very high	97.4	Very high	91 Å²	91	47 Å²	47	43%	0.425	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.9	168.8	-172.6	176.7	-22.9	0	0	109.9	Y328 F329 T338	Y328-Q334 WeakPolarHBondContact O-CA 3.43Å; Y328-Q334 WeakPolarHBondContact O-CG 3.35Å; F329-Q334 HydrophobicContact CD1-CB 3.93Å; F329-Q334 HydrophobicContact CE1-CB 3.63Å; F329-Q334 HydrophobicContact CE1-CG 4.27Å; F329-Q334 HydrophobicContact CZ-CB 4.11Å; F329-Q334 HydrophobicContact CZ-CG 4.28Å; Q334-T338 PolarHBondContact NE2-OG1 2.92Å
335	V	97.9	Very high	97.3	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	27%	0.272	C	S	.	.			trans	-124.2	120.8	-176.3	174	0	0	0	0	109.7	Y328 E330 V333 L367 N369	Y328-V335 HydrophobicContact CD1-CB 3.71Å; Y328-V335 HydrophobicContact CD1-CG1 3.93Å; Y328-V335 WeakPolarHBondContact CD1-O 3.46Å; Y328-V335 HydrophobicContact CE1-CB 3.85Å; Y328-V335 HydrophobicContact CE1-CG1 3.84Å; Y328-V335 PolarHBondContact O-N 2.91Å; E330-V335 HydrophobicContact CB-CG2 3.91Å; E330-V335 HydrophobicContact CG-CB 4.47Å; E330-V335 HydrophobicContact CG-CG2 3.88Å; V333-V335 HydrophobicContact CG1-CG2 4.44Å; V335-L367 HydrophobicContact CG1-CB 3.94Å; V335-N369 HydrophobicContact CG1-CB 3.96Å; V335-N369 HydrophobicContact CG2-CB 3.76Å
336	G	95.8	Very high	97.1	Very high	39 Å²	39	51 Å²	51	40%	0.402	29%	0.288	S	S	.	.	S	Bend	trans	77.6	-179.8	-173.3	0	0	0	0	0	113.5
337	E	94.7	Very high	97.1	Very high	174 Å²	174	54.3 Å²	54.3	81%	0.813	31%	0.305	S	S	*	.			trans	-80.7	158.9	177.5	-61	-173.7	157.4	0	0	111.5	F339	E337-F339 PolarHBondContact O-N 3.19Å
338	T	97.1	Very high	97.1	Very high	62 Å²	62	54 Å²	54	38%	0.38	30%	0.303	S	S	.	.			trans	-72.1	114.5	174.7	-56.2	0	0	0	0	109.7	I326 A327 Q334	I326-T338 CarbonylContact O-C 3.6Å; A327-T338 HydrophobicContact CB-CG2 4.38Å; Q334-T338 PolarHBondContact NE2-OG1 2.92Å
339	F	97.9	Very high	97.1	Very high	33 Å²	33	55.1 Å²	55.1	15%	0.145	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.3	177.8	-168.6	-96.6	0	0	0	110.5	S325 I326 E337 V341 V348 G359 R361 F362	S325-F339 CarbonylContact C-O 3.52Å; S325-F339 VanDerWaalsContact CA-O 3.27Å; S325-F339 WeakPolarHBondContact CA-O 3.46Å; I326-F339 HydrophobicContact CB-CB 4.45Å; I326-F339 PolarHBondContact N-O 2.86Å; I326-F339 PolarHBondContact O-N 2.92Å; E337-F339 PolarHBondContact O-N 3.19Å; F339-V341 HydrophobicContact CD1-CG2 3.9Å; F339-V341 HydrophobicContact CE1-CG2 3.98Å; F339-V348 HydrophobicContact CE1-CG2 3.95Å; F339-G359 WeakPolarHBondContact CZ-O 3.36Å; F339-R361 WeakPolarHBondContact CZ-O 3.44Å; F339-F362 HydrophobicContact CB-CB 4.41Å; F339-F362 HydrophobicContact CB-CD1 3.75Å; F339-F362 HydrophobicContact CB-CD2 3.84Å; F339-F362 HydrophobicContact CB-CE1 3.86Å; F339-F362 HydrophobicContact CB-CE2 3.96Å; F339-F362 HydrophobicContact CB-CG 3.75Å; F339-F362 HydrophobicContact CB-CZ 3.97Å; F339-F362 HydrophobicContact CD1-CB 3.82Å; F339-F362 HydrophobicContact CD1-CD1 4.49Å; F339-F362 HydrophobicContact CD1-CG 4.11Å; F339-F362 HydrophobicContact CD2-CB 3.97Å; F339-F362 AromaticContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CE2 4.23Å; F339-F362 AromaticContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CE1-CB 3.98Å; F339-F362 HydrophobicContact CE2-CB 4.13Å; F339-F362 HydrophobicContact CE2-CD2 4.27Å; F339-F362 HydrophobicContact CE2-CG 4.46Å; F339-F362 HydrophobicContact CG-CB 3.8Å; F339-F362 HydrophobicContact CG-CD1 4.08Å; F339-F362 AromaticContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CE2 4.38Å; F339-F362 AromaticContact CG-CG 3.63Å; F339-F362 HydrophobicContact CG-CG 3.63Å; F339-F362 HydrophobicContact CZ-CB 4.13Å
340	K	97.5	Very high	97.1	Very high	118 Å²	118	53.9 Å²	53.9	51%	0.513	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.6	177.5	-57.2	-173.4	-179.9	-177.3	0	110	Y322	Y322-K340 HydrophobicContact CD1-CB 3.39Å; Y322-K340 HydrophobicContact CD1-CD 4.41Å; Y322-K340 HydrophobicContact CD2-CB 4.41Å; Y322-K340 HydrophobicContact CD2-CD 4.06Å; Y322-K340 HydrophobicContact CE1-CB 3.7Å; Y322-K340 HydrophobicContact CE1-CD 4.37Å; Y322-K340 HydrophobicContact CE2-CD 4.03Å; Y322-K340 HydrophobicContact CG-CB 3.82Å; Y322-K340 HydrophobicContact CG-CD 4.29Å
341	V	97.6	Very high	97.1	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.3	-175.5	-168	0	0	0	0	109.8	Y322 W323 C324 I326 F339 C345 V348	Y322-V341 CarbonylContact C-O 3.52Å; Y322-V341 WeakPolarHBondContact CA-O 3.29Å; Y322-V341 WeakPolarHBondContact CB-O 3.39Å; W323-V341 HydrophobicContact CZ2-CG1 4.22Å; W323-V341 PolarHBondContact N-O 2.77Å; C324-V341 PolarHBondContact O-N 2.79Å; C324-V341 VanDerWaalsContact SG-CG2 3.53Å; I326-V341 HydrophobicContact CD1-CG2 4.05Å; I326-V341 HydrophobicContact CG1-CG2 4.45Å; F339-V341 HydrophobicContact CD1-CG2 3.9Å; F339-V341 HydrophobicContact CE1-CG2 3.98Å; V341-C345 HydrophobicContact CG1-CB 4.29Å; V341-V348 HydrophobicContact CG1-CB 3.81Å; V341-V348 HydrophobicContact CG1-CG1 4.29Å; V341-V348 HydrophobicContact CG1-CG2 4.31Å; V341-V348 HydrophobicContact CG2-CB 4.04Å; V341-V348 HydrophobicContact CG2-CG1 4.03Å; V341-V348 HydrophobicContact CG2-CG2 3.92Å
342	P	96.8	Very high	97.1	Very high	34 Å²	34	51.8 Å²	51.8	22%	0.221	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	145.3	-177.6	-25.1	34.7	0	0	0	112	Y322 S344 C345	Y322-P342 HydrophobicContact CD1-CB 4.5Å; Y322-P342 HydrophobicContact CD1-CG 4.26Å; Y322-P342 HydrophobicContact CE1-CG 4.15Å; P342-S344 WeakPolarHBondContact CB-OG 3.39Å; P342-S344 PolarHBondContact O-N 3.27Å; P342-S344 VanDerWaalsContact O-N 3.12Å; P342-C345 WeakPolarHBondContact O-CA 3.49Å; P342-C345 WeakPolarHBondContact O-CB 3.43Å; P342-C345 PolarHBondContact O-N 2.66Å
343	S	95.3	Very high	97.1	Very high	51 Å²	51	51.6 Å²	51.6	36%	0.357	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.8	177	-67.6	0	0	0	0	113.9	P320 E321 W323 C345	P320-S343 WeakPolarHBondContact O-CB 3.45Å; P320-S343 PolarHBondContact O-OG 2.87Å; E321-S343 PolarHBondContact O-N 2.88Å; E321-S343 PolarHBondContact O-OG 2.91Å; W323-S343 PolarHBondContact N-OG 3.28Å; S343-C345 VanDerWaalsContact C-N 3.27Å
344	S	94.9	Very high	97.1	Very high	100 Å²	100	53.9 Å²	53.9	70%	0.699	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.4	167.7	58.5	0	0	0	0	114.1	P342 P346	P342-S344 WeakPolarHBondContact CB-OG 3.39Å; P342-S344 PolarHBondContact O-N 3.27Å; P342-S344 VanDerWaalsContact O-N 3.12Å; S344-P346 WeakPolarHBondContact O-CD 3.25Å
345	C	95.3	Very high	96.9	Very high	31 Å²	31	52.2 Å²	52.2	21%	0.209	30%	0.299	C	S	.	.			trans	-111	82.1	-178.1	-60.2	0	0	0	0	109.4	W323 V341 P342 S343 I347 D360	W323-C345 PolarHBondContact NE1-O 2.68Å; V341-C345 HydrophobicContact CG1-CB 4.29Å; P342-C345 WeakPolarHBondContact O-CA 3.49Å; P342-C345 WeakPolarHBondContact O-CB 3.43Å; P342-C345 PolarHBondContact O-N 2.66Å; S343-C345 VanDerWaalsContact C-N 3.27Å; C345-I347 PolarHBondContact O-N 3.14Å; C345-D360 HydrophobicContact CB-CB 4.32Å
346	P	95.7	Very high	96.5	Very high	69 Å²	69	56.7 Å²	56.7	45%	0.448	33%	0.328	S	S	.	.			trans	-68.2	-16.2	-175.3	29	-36.7	0	0	0	113.1	S344 E390 C391	S344-P346 WeakPolarHBondContact O-CD 3.25Å; P346-E390 CarbonylContact O-C 3.49Å; P346-E390 WeakPolarHBondContact O-CA 3.11Å; P346-C391 PolarHBondContact O-N 3.41Å
347	I	97.9	Very high	95.9	Very high	68 Å²	68	59.8 Å²	59.8	35%	0.349	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.4	174.7	-60.4	172.3	0	0	0	108	C345 Q388 L389 E390	C345-I347 PolarHBondContact O-N 3.14Å; I347-Q388 HydrophobicContact CG2-CB 4.38Å; I347-Q388 HydrophobicContact CG2-CG 4.14Å; I347-L389 WeakPolarHBondContact CA-O 3.17Å; I347-E390 HydrophobicContact CD1-CG 4.43Å; I347-E390 HydrophobicContact CG1-CB 4.14Å; I347-E390 HydrophobicContact CG1-CG 3.9Å
348	V	98.4	Very high	95.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.7	167.5	61.1	0	0	0	0	110.2	W323 I326 F339 V341 D360 Q388 L389	W323-V348 HydrophobicContact CH2-CG1 4.36Å; W323-V348 HydrophobicContact CZ2-CG1 3.88Å; I326-V348 HydrophobicContact CD1-CG1 4.08Å; I326-V348 HydrophobicContact CD1-CG2 4.39Å; F339-V348 HydrophobicContact CE1-CG2 3.95Å; V341-V348 HydrophobicContact CG1-CB 3.81Å; V341-V348 HydrophobicContact CG1-CG1 4.29Å; V341-V348 HydrophobicContact CG1-CG2 4.31Å; V341-V348 HydrophobicContact CG2-CB 4.04Å; V341-V348 HydrophobicContact CG2-CG1 4.03Å; V341-V348 HydrophobicContact CG2-CG2 3.92Å; V348-D360 CarbonylContact C-O 3.49Å; V348-D360 VanDerWaalsContact CA-O 3.23Å; V348-D360 WeakPolarHBondContact CA-O 3.43Å; V348-D360 WeakPolarHBondContact CG2-O 3.41Å; V348-Q388 CarbonylContact O-C 3.33Å; V348-Q388 VanDerWaalsContact O-CA 3.32Å; V348-Q388 WeakPolarHBondContact O-CA 3.27Å; V348-L389 HydrophobicContact CG1-CB 3.74Å; V348-L389 HydrophobicContact CG1-CD1 4.06Å; V348-L389 HydrophobicContact CG1-CG 4.17Å; V348-L389 PolarHBondContact N-O 2.91Å; V348-L389 PolarHBondContact O-N 3.36Å
349	T	98.6	Very high	94.9	Very high	24 Å²	24	51.4 Å²	51.4	15%	0.147	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.5	172.5	-53.3	0	0	0	0	109.4	D351 D360 R361 F362 V387 Q388 L402	T349-D351 HydrophobicContact CG2-CB 4.31Å; T349-D360 PolarHBondContact N-O 3.11Å; T349-R361 CarbonylContact O-C 3.59Å; T349-R361 WeakPolarHBondContact O-CA 2.83Å; T349-F362 PolarHBondContact O-N 3.15Å; T349-V387 CarbonylContact C-O 2.98Å; T349-V387 WeakPolarHBondContact CA-O 3.38Å; T349-Q388 HydrophobicContact CG2-CG 4.2Å; T349-Q388 VanDerWaalsContact OG1-CG 3.3Å; T349-Q388 WeakPolarHBondContact OG1-CG 3.35Å; T349-Q388 PolarHBondContact OG1-NE2 3.39Å; T349-Q388 VanDerWaalsContact OG1-NE2 3.15Å; T349-L402 HydrophobicContact CG2-CD1 4.47Å
350	V	98.7	Very high	94.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.8	172.4	-172	0	0	0	0	108.3	I326 F362 L364 G386 V387 F505 I525	I326-V350 HydrophobicContact CD1-CG2 3.78Å; V350-F362 WeakPolarHBondContact CA-O 3.24Å; V350-F362 HydrophobicContact CG1-CB 4.45Å; V350-F362 HydrophobicContact CG1-CD1 3.96Å; V350-F362 HydrophobicContact CG2-CB 4.32Å; V350-F362 HydrophobicContact CG2-CD1 4.43Å; V350-L364 HydrophobicContact CG1-CD1 3.84Å; V350-L364 HydrophobicContact CG1-CD2 4.19Å; V350-L364 HydrophobicContact CG1-CG 3.99Å; V350-G386 WeakPolarHBondContact O-CA 3.28Å; V350-V387 HydrophobicContact CB-CG2 4.13Å; V350-V387 PolarHBondContact N-O 2.95Å; V350-V387 PolarHBondContact O-N 2.72Å; V350-F505 HydrophobicContact CG1-CZ 4.13Å; V350-I525 HydrophobicContact CB-CD1 4.46Å; V350-I525 HydrophobicContact CG1-CD1 4.23Å; V350-I525 HydrophobicContact CG2-CD1 4.34Å
351	D	98.5	Very high	94.7	Very high	4 Å²	4	52 Å²	52	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	172.4	-168	73.3	43.8	0	0	0	114	T349 Y353 R361 F362 L364	T349-D351 HydrophobicContact CG2-CB 4.31Å; D351-Y353 HydrophobicContact CB-CD2 4.07Å; D351-Y353 WeakPolarHBondContact OD1-CA 3.35Å; D351-Y353 VanDerWaalsContact OD1-CB 3.28Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.15Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.33Å; D351-Y353 PolarHBondContact OD1-N 2.95Å; D351-R361 IonicContact OD1-NH2 2.89Å; D351-R361 IonicContact OD2-CZ 3.33Å; D351-R361 VanDerWaalsContact OD2-CZ 3.29Å; D351-R361 IonicContact OD2-NE 3.29Å; D351-R361 PolarHBondContact OD2-NE 2.81Å; D351-R361 IonicContact OD2-NH2 3.53Å; D351-R361 PolarHBondContact OD2-NH2 2.96Å; D351-F362 PolarHBondContact N-O 3.23Å; D351-F362 VanDerWaalsContact N-O 3.1Å; D351-L364 VanDerWaalsContact O-CB 3.31Å; D351-L364 WeakPolarHBondContact O-CB 3.27Å; D351-L364 WeakPolarHBondContact O-CG 3.37Å; D351-L364 PolarHBondContact O-N 3.03Å
352	G	97.9	Very high	94.7	Very high	23 Å²	23	52.7 Å²	52.7	24%	0.237	32%	0.324	C	S	.	.	S	Bend	trans	-89	6.5	-178.9	0	0	0	0	0	114.8	G365 G384	G352-G365 WeakPolarHBondContact O-CA 3.46Å; G352-G384 PolarHBondContact N-O 3.43Å
353	Y	97.8	Very high	94.8	Very high	111 Å²	111	51.3 Å²	51.3	44%	0.435	32%	0.315	S	S	.	.	S	Bend	trans	-82.1	-171.8	-179.8	-60.3	-69.9	0	0	0	111.5	D351 R361 C363 G365 K385	D351-Y353 HydrophobicContact CB-CD2 4.07Å; D351-Y353 WeakPolarHBondContact OD1-CA 3.35Å; D351-Y353 VanDerWaalsContact OD1-CB 3.28Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.15Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.33Å; D351-Y353 PolarHBondContact OD1-N 2.95Å; Y353-R361 VanDerWaalsContact CD2-NH2 3.28Å; Y353-C363 WeakPolarHBondContact O-CB 3.46Å; Y353-G365 WeakPolarHBondContact O-CA 3.4Å; Y353-G365 PolarHBondContact O-N 3.27Å; Y353-K385 HydrophobicContact CE2-CG 4.3Å
354	V	96.6	Very high	94.9	Very high	97 Å²	97	48.9 Å²	48.9	59%	0.588	30%	0.298	S	S	*	.			trans	-125	17.1	-163	-60.8	0	0	0	0	114.2	P356 Q366	V354-P356 WeakPolarHBondContact O-CD 3.42Å; V354-Q366 HydrophobicContact CB-CB 4.19Å; V354-Q366 HydrophobicContact CG1-CB 4.4Å; V354-Q366 PolarHBondContact O-OE1 3.37Å
355	D	93.1	Very high	95	Very high	56 Å²	56	45.3 Å²	45.3	30%	0.299	28%	0.277	S	S	.	.			trans	-83.6	116.3	-175.3	174.4	5.7	0	0	0	111.3	S357 R361 C363	D355-S357 VanDerWaalsContact C-N 3.34Å; D355-S357 PolarHBondContact O-N 3.38Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.14Å; D355-S357 PolarHBondContact OD1-OG 2.98Å; D355-R361 IonicContact OD2-NH1 3.83Å; D355-R361 PolarHBondContact OD2-NH1 3.01Å; D355-C363 PolarHBondContact N-SG 3.29Å; D355-C363 WeakPolarHBondContact O-CB 3.4Å; D355-C363 PolarHBondContact O-SG 2.78Å
356	P	89.8	Confident	94.9	Very high	97 Å²	97	48 Å²	48	63%	0.63	29%	0.286	S	S	*	.			trans	-81.7	-1.9	-177.4	34.8	-36.7	0	0	0	115	V354 G358 Q366	V354-P356 WeakPolarHBondContact O-CD 3.42Å; P356-G358 PolarHBondContact O-N 3.49Å; P356-G358 VanDerWaalsContact O-N 3.1Å; P356-Q366 VanDerWaalsContact CA-NE2 3.26Å
357	S	83.7	Confident	95	Very high	104 Å²	104	46.1 Å²	46.1	73%	0.727	27%	0.273	S	S	*	.			trans	-60.1	-24.2	-170.8	-71.3	0	0	0	0	115.3	D355	D355-S357 VanDerWaalsContact C-N 3.34Å; D355-S357 PolarHBondContact O-N 3.38Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.14Å; D355-S357 PolarHBondContact OD1-OG 2.98Å
358	G	83.4	Confident	94.9	Very high	19 Å²	19	48.1 Å²	48.1	20%	0.196	29%	0.293	C	S	.	.			trans	71.8	-142.5	173.1	0	0	0	0	0	114.1	P356 D360 R361	P356-G358 PolarHBondContact O-N 3.49Å; P356-G358 VanDerWaalsContact O-N 3.1Å; G358-D360 PolarHBondContact O-N 3.4Å; G358-D360 VanDerWaalsContact O-N 3.11Å; G358-R361 CarbonylContact C-O 3.53Å; G358-R361 VanDerWaalsContact CA-O 3.32Å; G358-R361 WeakPolarHBondContact CA-O 3.35Å; G358-R361 PolarHBondContact O-N 2.72Å
359	G	88.4	Confident	94.8	Very high	40 Å²	40	49.4 Å²	49.4	41%	0.412	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-102	179.2	0	0	0	0	0	113.4	F339	F339-G359 WeakPolarHBondContact CZ-O 3.36Å
360	D	92.8	Very high	94.6	Very high	94 Å²	94	54.8 Å²	54.8	50%	0.503	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	5.4	176.9	71.2	-28.5	0	0	0	113	C345 V348 T349 G358	C345-D360 HydrophobicContact CB-CB 4.32Å; V348-D360 CarbonylContact C-O 3.49Å; V348-D360 VanDerWaalsContact CA-O 3.23Å; V348-D360 WeakPolarHBondContact CA-O 3.43Å; V348-D360 WeakPolarHBondContact CG2-O 3.41Å; T349-D360 PolarHBondContact N-O 3.11Å; G358-D360 PolarHBondContact O-N 3.4Å; G358-D360 VanDerWaalsContact O-N 3.11Å
361	R	97.6	Very high	94.4	Very high	70 Å²	70	60.8 Å²	60.8	26%	0.264	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	126.3	-176.3	-167.4	178.8	-176.6	-156.3	1.5	113.5	F339 T349 D351 Y353 D355 G358	F339-R361 WeakPolarHBondContact CZ-O 3.44Å; T349-R361 CarbonylContact O-C 3.59Å; T349-R361 WeakPolarHBondContact O-CA 2.83Å; D351-R361 IonicContact OD1-NH2 2.89Å; D351-R361 IonicContact OD2-CZ 3.33Å; D351-R361 VanDerWaalsContact OD2-CZ 3.29Å; D351-R361 IonicContact OD2-NE 3.29Å; D351-R361 PolarHBondContact OD2-NE 2.81Å; D351-R361 IonicContact OD2-NH2 3.53Å; D351-R361 PolarHBondContact OD2-NH2 2.96Å; Y353-R361 VanDerWaalsContact CD2-NH2 3.28Å; D355-R361 IonicContact OD2-NH1 3.83Å; D355-R361 PolarHBondContact OD2-NH1 3.01Å; G358-R361 CarbonylContact C-O 3.53Å; G358-R361 VanDerWaalsContact CA-O 3.32Å; G358-R361 WeakPolarHBondContact CA-O 3.35Å; G358-R361 PolarHBondContact O-N 2.72Å
362	F	97.9	Very high	94.3	Very high	15 Å²	15	63.3 Å²	63.3	7%	0.066	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	99.9	177.1	-175.2	-151.4	0	0	0	111.3	I326 F339 T349 V350 D351 L364 L367	I326-F362 HydrophobicContact CB-CD1 4.37Å; I326-F362 HydrophobicContact CB-CE1 4.45Å; I326-F362 HydrophobicContact CG2-CD1 4.05Å; I326-F362 HydrophobicContact CG2-CE1 4.03Å; F339-F362 HydrophobicContact CB-CB 4.41Å; F339-F362 HydrophobicContact CB-CD1 3.75Å; F339-F362 HydrophobicContact CB-CD2 3.84Å; F339-F362 HydrophobicContact CB-CE1 3.86Å; F339-F362 HydrophobicContact CB-CE2 3.96Å; F339-F362 HydrophobicContact CB-CG 3.75Å; F339-F362 HydrophobicContact CB-CZ 3.97Å; F339-F362 HydrophobicContact CD1-CB 3.82Å; F339-F362 HydrophobicContact CD1-CD1 4.49Å; F339-F362 HydrophobicContact CD1-CG 4.11Å; F339-F362 HydrophobicContact CD2-CB 3.97Å; F339-F362 AromaticContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CE2 4.23Å; F339-F362 AromaticContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CE1-CB 3.98Å; F339-F362 HydrophobicContact CE2-CB 4.13Å; F339-F362 HydrophobicContact CE2-CD2 4.27Å; F339-F362 HydrophobicContact CE2-CG 4.46Å; F339-F362 HydrophobicContact CG-CB 3.8Å; F339-F362 HydrophobicContact CG-CD1 4.08Å; F339-F362 AromaticContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CE2 4.38Å; F339-F362 AromaticContact CG-CG 3.63Å; F339-F362 HydrophobicContact CG-CG 3.63Å; F339-F362 HydrophobicContact CZ-CB 4.13Å; T349-F362 PolarHBondContact O-N 3.15Å; V350-F362 WeakPolarHBondContact CA-O 3.24Å; V350-F362 HydrophobicContact CG1-CB 4.45Å; V350-F362 HydrophobicContact CG1-CD1 3.96Å; V350-F362 HydrophobicContact CG2-CB 4.32Å; V350-F362 HydrophobicContact CG2-CD1 4.43Å; D351-F362 PolarHBondContact N-O 3.23Å; D351-F362 VanDerWaalsContact N-O 3.1Å; F362-L364 HydrophobicContact CD1-CD2 3.9Å; F362-L364 HydrophobicContact CD2-CD2 4.39Å; F362-L364 HydrophobicContact CE1-CD2 3.57Å; F362-L364 HydrophobicContact CE2-CD2 4.08Å; F362-L364 HydrophobicContact CG-CD2 4.31Å; F362-L364 HydrophobicContact CZ-CD2 3.66Å; F362-L367 HydrophobicContact CE2-CD1 4.24Å; F362-L367 HydrophobicContact CZ-CD1 4.24Å
363	C	97.9	Very high	94.3	Very high	4 Å²	4	65.7 Å²	65.7	3%	0.027	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.9	-178.1	-69.1	0	0	0	0	111.9	Y353 D355	Y353-C363 WeakPolarHBondContact O-CB 3.46Å; D355-C363 PolarHBondContact N-SG 3.29Å; D355-C363 WeakPolarHBondContact O-CB 3.4Å; D355-C363 PolarHBondContact O-SG 2.78Å
364	L	98	Very high	94.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	38%	0.384	C	S	.	.			trans	-82.4	-18.2	-175.8	-56.6	179	0	0	0	113.6	Y328 V350 D351 F362 Q366 L367 R380 I383 F505	Y328-L364 HydrophobicContact CD1-CD2 4.16Å; Y328-L364 HydrophobicContact CD2-CD1 3.76Å; Y328-L364 HydrophobicContact CD2-CD2 3.83Å; Y328-L364 HydrophobicContact CD2-CG 4.34Å; Y328-L364 HydrophobicContact CE2-CD1 3.8Å; Y328-L364 HydrophobicContact CE2-CD2 4.43Å; Y328-L364 HydrophobicContact CG-CD1 4.46Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; V350-L364 HydrophobicContact CG1-CD1 3.84Å; V350-L364 HydrophobicContact CG1-CD2 4.19Å; V350-L364 HydrophobicContact CG1-CG 3.99Å; D351-L364 VanDerWaalsContact O-CB 3.31Å; D351-L364 WeakPolarHBondContact O-CB 3.27Å; D351-L364 WeakPolarHBondContact O-CG 3.37Å; D351-L364 PolarHBondContact O-N 3.03Å; F362-L364 HydrophobicContact CD1-CD2 3.9Å; F362-L364 HydrophobicContact CD2-CD2 4.39Å; F362-L364 HydrophobicContact CE1-CD2 3.57Å; F362-L364 HydrophobicContact CE2-CD2 4.08Å; F362-L364 HydrophobicContact CG-CD2 4.31Å; F362-L364 HydrophobicContact CZ-CD2 3.66Å; L364-Q366 PolarHBondContact O-N 2.88Å; L364-L367 HydrophobicContact CD2-CD1 3.95Å; L364-L367 PolarHBondContact O-N 3.05Å; L364-R380 PolarHBondContact O-NH1 3.44Å; L364-R380 PolarHBondContact O-NH2 3.21Å; L364-I383 HydrophobicContact CD1-CD1 4.25Å; L364-F505 HydrophobicContact CD1-CE2 3.87Å; L364-F505 HydrophobicContact CD1-CZ 4.29Å
365	G	96.6	Very high	94.2	Very high	25 Å²	25	64.2 Å²	64.2	26%	0.258	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-37.3	-168.2	0	0	0	0	0	114.6	G352 Y353 R380	G352-G365 WeakPolarHBondContact O-CA 3.46Å; Y353-G365 WeakPolarHBondContact O-CA 3.4Å; Y353-G365 PolarHBondContact O-N 3.27Å; G365-R380 VanDerWaalsContact C-NH2 3.29Å; G365-R380 PolarHBondContact O-NH2 2.73Å
366	Q	94.6	Very high	94.4	Very high	87 Å²	87	61.7 Å²	61.7	41%	0.407	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.1	-179.9	65.4	-176.7	-19.3	0	0	114.5	V354 P356 L364 S368	V354-Q366 HydrophobicContact CB-CB 4.19Å; V354-Q366 HydrophobicContact CG1-CB 4.4Å; V354-Q366 PolarHBondContact O-OE1 3.37Å; P356-Q366 VanDerWaalsContact CA-NE2 3.26Å; L364-Q366 PolarHBondContact O-N 2.88Å; Q366-S368 PolarHBondContact O-N 3.49Å
367	L	96.6	Very high	94.7	Very high	30 Å²	30	62 Å²	62	16%	0.157	36%	0.36	C	S	.	.			trans	-64.5	129.9	-175.5	-59.4	178.4	0	0	0	110.5	Y328 V335 F362 L364 R372	Y328-L367 HydrophobicContact CD1-CD1 3.61Å; Y328-L367 HydrophobicContact CE1-CD1 4.22Å; Y328-L367 HydrophobicContact CG-CD1 4.34Å; V335-L367 HydrophobicContact CG1-CB 3.94Å; F362-L367 HydrophobicContact CE2-CD1 4.24Å; F362-L367 HydrophobicContact CZ-CD1 4.24Å; L364-L367 HydrophobicContact CD2-CD1 3.95Å; L364-L367 PolarHBondContact O-N 3.05Å; L367-R372 VanDerWaalsContact O-CZ 3.27Å; L367-R372 PolarHBondContact O-NH1 2.95Å; L367-R372 PolarHBondContact O-NH2 3.42Å
368	S	95.2	Very high	95.3	Very high	110 Å²	110	63.5 Å²	63.5	77%	0.769	35%	0.35	S	S	*	.			trans	-90.9	141.1	178.8	-71.3	0	0	0	0	111.9	Q366	Q366-S368 PolarHBondContact O-N 3.49Å
369	N	96.3	Very high	95.9	Very high	27 Å²	27	62.8 Å²	62.8	14%	0.144	34%	0.342	C	S	.	.			trans	-144.8	119.9	172.6	175.2	15.1	0	0	0	109.9	E330 V335 H371 R372	E330-N369 WeakPolarHBondContact OE2-CB 3.49Å; E330-N369 PolarHBondContact OE2-ND2 2.87Å; V335-N369 HydrophobicContact CG1-CB 3.96Å; V335-N369 HydrophobicContact CG2-CB 3.76Å; N369-H371 PolarHBondContact O-N 3.25Å; N369-H371 PolarHBondContact OD1-N 2.96Å; N369-R372 HydrophobicContact CB-CB 4.14Å; N369-R372 VanDerWaalsContact O-CB 3.25Å; N369-R372 WeakPolarHBondContact O-CB 3.26Å; N369-R372 PolarHBondContact O-N 3.4Å
370	V	95.8	Very high	96.4	Very high	137 Å²	137	62.1 Å²	62.1	83%	0.83	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.4	179.3	-61.5	0	0	0	0	113.7
371	H	93.1	Very high	96.6	Very high	127 Å²	127	64.3 Å²	64.3	59%	0.588	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	9.9	175.8	-58.3	-50.3	0	0	0	112.6	N369 T373	N369-H371 PolarHBondContact O-N 3.25Å; N369-H371 PolarHBondContact OD1-N 2.96Å; H371-T373 PolarHBondContact O-N 3.43Å
372	R	97.3	Very high	96.6	Very high	56 Å²	56	64.9 Å²	64.9	21%	0.211	34%	0.344	C	S	.	.			trans	-66.1	134	177.6	-170.6	170	-68.8	150.8	-1.2	110.4	E330 L367 N369 I376 E377	E330-R372 IonicContact OE1-CZ 3.69Å; E330-R372 IonicContact OE1-NE 3.66Å; E330-R372 PolarHBondContact OE1-NE 3.2Å; E330-R372 IonicContact OE1-NH2 3.83Å; E330-R372 PolarHBondContact OE1-NH2 3.11Å; E330-R372 IonicContact OE2-CZ 3.72Å; E330-R372 IonicContact OE2-NE 2.7Å; E330-R372 PolarHBondContact OE2-NE 3.23Å; E330-R372 IonicContact OE2-NH2 3.35Å; E330-R372 PolarHBondContact OE2-NH2 3.2Å; L367-R372 VanDerWaalsContact O-CZ 3.27Å; L367-R372 PolarHBondContact O-NH1 2.95Å; L367-R372 PolarHBondContact O-NH2 3.42Å; N369-R372 HydrophobicContact CB-CB 4.14Å; N369-R372 VanDerWaalsContact O-CB 3.25Å; N369-R372 WeakPolarHBondContact O-CB 3.26Å; N369-R372 PolarHBondContact O-N 3.4Å; R372-I376 HydrophobicContact CG-CB 4.05Å; R372-I376 HydrophobicContact CG-CG2 3.87Å; R372-E377 HydrophobicContact CG-CG 3.76Å
373	T	97.5	Very high	96.7	Very high	74 Å²	74	64.2 Å²	64.2	45%	0.454	34%	0.341	S	S	.	.			trans	-111.4	160.2	177.8	65.4	0	0	0	0	110.2	H371 A375 I376 E377	H371-T373 PolarHBondContact O-N 3.43Å; T373-A375 PolarHBondContact O-N 2.81Å; T373-A375 VanDerWaalsContact O-N 3.1Å; T373-I376 HydrophobicContact CG2-CD1 4.44Å; T373-I376 WeakPolarHBondContact O-CA 3.1Å; T373-I376 WeakPolarHBondContact O-CB 3.37Å; T373-I376 PolarHBondContact O-N 3.1Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.31Å; T373-I376 WeakPolarHBondContact OG1-CG1 3.49Å; T373-E377 PolarHBondContact O-N 2.99Å
374	E	96.8	Very high	96.6	Very high	114 Å²	114	65.1 Å²	65.1	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-54.1	-31.7	176.8	-165.8	-163.7	-159.3	0	0	112.6	R378	E374-R378 WeakPolarHBondContact O-CB 3.1Å; E374-R378 WeakPolarHBondContact O-CG 3.47Å; E374-R378 PolarHBondContact O-N 3.4Å; E374-R378 IonicContact OE1-CZ 3.25Å; E374-R378 VanDerWaalsContact OE1-CZ 3.25Å; E374-R378 IonicContact OE1-NH1 3.5Å; E374-R378 PolarHBondContact OE1-NH1 2.97Å; E374-R378 IonicContact OE1-NH2 2.67Å; E374-R378 PolarHBondContact OE1-NH2 3.32Å; E374-R378 IonicContact OE2-CZ 3.46Å; E374-R378 IonicContact OE2-NH1 3.35Å; E374-R378 PolarHBondContact OE2-NH1 3.28Å; E374-R378 IonicContact OE2-NH2 3.49Å; E374-R378 PolarHBondContact OE2-NH2 3.15Å
375	A	95.2	Very high	96.6	Very high	63 Å²	63	70.2 Å²	70.2	52%	0.521	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-35.2	174.9	0	0	0	0	0	112.8	T373 A379	T373-A375 PolarHBondContact O-N 2.81Å; T373-A375 VanDerWaalsContact O-N 3.1Å; A375-A379 PolarHBondContact O-N 2.98Å; A375-A379 VanDerWaalsContact O-N 3.15Å
376	I	98.1	Very high	96.7	Very high	3 Å²	3	69 Å²	69	2%	0.015	36%	0.361	C	S	.	.	H	α-helix	trans	-73.7	-42.3	175.7	-63.3	162.7	0	0	0	110.1	E330 M331 R372 T373 A379 R380 P522	E330-I376 HydrophobicContact CB-CD1 4.31Å; E330-I376 HydrophobicContact CB-CG2 4.14Å; E330-I376 HydrophobicContact CG-CG2 3.85Å; M331-I376 HydrophobicContact CG-CD1 3.86Å; M331-I376 HydrophobicContact CG-CG1 4.43Å; R372-I376 HydrophobicContact CG-CB 4.05Å; R372-I376 HydrophobicContact CG-CG2 3.87Å; T373-I376 HydrophobicContact CG2-CD1 4.44Å; T373-I376 WeakPolarHBondContact O-CA 3.1Å; T373-I376 WeakPolarHBondContact O-CB 3.37Å; T373-I376 PolarHBondContact O-N 3.1Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.31Å; T373-I376 WeakPolarHBondContact OG1-CG1 3.49Å; I376-A379 PolarHBondContact O-N 3.13Å; I376-A379 VanDerWaalsContact O-N 3.17Å; I376-R380 HydrophobicContact CG2-CG 4.4Å; I376-R380 WeakPolarHBondContact O-CG 3.36Å; I376-R380 PolarHBondContact O-N 2.86Å; I376-P522 HydrophobicContact CB-CB 4.39Å; I376-P522 HydrophobicContact CG1-CB 3.96Å; I376-P522 WeakPolarHBondContact CG2-O 3.45Å
377	E	95.8	Very high	96.9	Very high	103 Å²	103	64.9 Å²	64.9	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-49.7	174.4	-66.6	179.3	148.9	0	0	111.5	R372 T373 A379 R380 L381	R372-E377 HydrophobicContact CG-CG 3.76Å; T373-E377 PolarHBondContact O-N 2.99Å; E377-A379 VanDerWaalsContact C-N 3.26Å; E377-A379 PolarHBondContact O-N 3.03Å; E377-R380 PolarHBondContact O-N 3.34Å; E377-R380 VanDerWaalsContact O-N 3.16Å; E377-L381 WeakPolarHBondContact O-CG 3.25Å; E377-L381 PolarHBondContact O-N 3Å
378	R	96.1	Very high	97	Very high	135 Å²	135	66 Å²	66	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-56.2	-39.1	173.9	-77.3	-177.9	178.1	116.8	8	112.4	E374 H382	E374-R378 WeakPolarHBondContact O-CB 3.1Å; E374-R378 WeakPolarHBondContact O-CG 3.47Å; E374-R378 PolarHBondContact O-N 3.4Å; E374-R378 IonicContact OE1-CZ 3.25Å; E374-R378 VanDerWaalsContact OE1-CZ 3.25Å; E374-R378 IonicContact OE1-NH1 3.5Å; E374-R378 PolarHBondContact OE1-NH1 2.97Å; E374-R378 IonicContact OE1-NH2 2.67Å; E374-R378 PolarHBondContact OE1-NH2 3.32Å; E374-R378 IonicContact OE2-CZ 3.46Å; E374-R378 IonicContact OE2-NH1 3.35Å; E374-R378 PolarHBondContact OE2-NH1 3.28Å; E374-R378 IonicContact OE2-NH2 3.49Å; E374-R378 PolarHBondContact OE2-NH2 3.15Å; R378-H382 PolarHBondContact O-CE1 2.74Å; R378-H382 PolarHBondContact O-ND1 3.4Å
379	A	97.2	Very high	97.2	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-68.4	-43.9	177.1	0	0	0	0	0	112.1	A375 I376 E377 L381 H382 P522	A375-A379 PolarHBondContact O-N 2.98Å; A375-A379 VanDerWaalsContact O-N 3.15Å; I376-A379 PolarHBondContact O-N 3.13Å; I376-A379 VanDerWaalsContact O-N 3.17Å; E377-A379 VanDerWaalsContact C-N 3.26Å; E377-A379 PolarHBondContact O-N 3.03Å; A379-L381 VanDerWaalsContact C-N 3.29Å; A379-L381 PolarHBondContact O-N 3.03Å; A379-H382 PolarHBondContact O-N 2.98Å; A379-P522 HydrophobicContact CB-CB 3.61Å; A379-P522 HydrophobicContact CB-CG 3.36Å
380	R	98.2	Very high	97.3	Very high	26 Å²	26	61.4 Å²	61.4	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-36.7	-179.8	-74.4	166.6	59	76.1	-3.5	113.3	Y328 E330 L364 G365 I376 E377 H382 I383 C523	Y328-R380 PolarHBondContact OH-NH1 3.26Å; E330-R380 WeakPolarHBondContact OE1-CD 3.21Å; E330-R380 IonicContact OE1-CZ 2.71Å; E330-R380 IonicContact OE1-NE 3.27Å; E330-R380 IonicContact OE1-NH1 3.68Å; E330-R380 PolarHBondContact OE1-NH1 2.84Å; L364-R380 PolarHBondContact O-NH1 3.44Å; L364-R380 PolarHBondContact O-NH2 3.21Å; G365-R380 VanDerWaalsContact C-NH2 3.29Å; G365-R380 PolarHBondContact O-NH2 2.73Å; I376-R380 HydrophobicContact CG2-CG 4.4Å; I376-R380 WeakPolarHBondContact O-CG 3.36Å; I376-R380 PolarHBondContact O-N 2.86Å; E377-R380 PolarHBondContact O-N 3.34Å; E377-R380 VanDerWaalsContact O-N 3.16Å; R380-H382 PolarHBondContact O-N 2.75Å; R380-H382 VanDerWaalsContact O-N 3.13Å; R380-I383 HydrophobicContact CB-CD1 4.3Å; R380-I383 HydrophobicContact CG-CD1 4.13Å; R380-I383 WeakPolarHBondContact O-CB 3.36Å; R380-I383 WeakPolarHBondContact O-CG1 3.22Å; R380-I383 PolarHBondContact O-N 2.85Å; R380-I383 VanDerWaalsContact O-N 3.08Å; R380-C523 HydrophobicContact CG-CB 4.37Å
381	L	97.4	Very high	97.3	Very high	141 Å²	141	56 Å²	56	74%	0.738	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.4	173.9	-67.2	175	0	0	0	113.3	E377 A379	E377-L381 WeakPolarHBondContact O-CG 3.25Å; E377-L381 PolarHBondContact O-N 3Å; A379-L381 VanDerWaalsContact C-N 3.29Å; A379-L381 PolarHBondContact O-N 3.03Å
382	H	97.9	Very high	97.4	Very high	82 Å²	82	53.4 Å²	53.4	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1.9	-177.3	-57.9	86.4	0	0	0	113.3	R378 A379 R380 S403 H405 V506	R378-H382 PolarHBondContact O-CE1 2.74Å; R378-H382 PolarHBondContact O-ND1 3.4Å; A379-H382 PolarHBondContact O-N 2.98Å; R380-H382 PolarHBondContact O-N 2.75Å; R380-H382 VanDerWaalsContact O-N 3.13Å; H382-S403 PolarHBondContact O-OG 3.18Å; H382-H405 AromaticContact CD2-CE1 3.46Å; H382-H405 PolarHBondContact CD2-CE1 3.26Å; H382-H405 VanDerWaalsContact CD2-CE1 3.46Å; H382-H405 AromaticContact CD2-NE2 3.45Å; H382-H405 PolarHBondContact CD2-NE2 3.1Å; H382-V506 HydrophobicContact CB-CB 4.48Å; H382-V506 HydrophobicContact CB-CG1 3.95Å; H382-V506 HydrophobicContact CB-CG2 3.62Å
383	I	98.4	Very high	97.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-48.7	169.6	-61.6	172.5	0	0	0	108.7	L364 R380 K385 G386 S403 F505 C523	L364-I383 HydrophobicContact CD1-CD1 4.25Å; R380-I383 HydrophobicContact CB-CD1 4.3Å; R380-I383 HydrophobicContact CG-CD1 4.13Å; R380-I383 WeakPolarHBondContact O-CB 3.36Å; R380-I383 WeakPolarHBondContact O-CG1 3.22Å; R380-I383 PolarHBondContact O-N 2.85Å; R380-I383 VanDerWaalsContact O-N 3.08Å; I383-K385 PolarHBondContact O-N 2.83Å; I383-G386 WeakPolarHBondContact O-CA 3.49Å; I383-G386 PolarHBondContact O-N 3Å; I383-S403 VanDerWaalsContact O-CB 3.25Å; I383-S403 WeakPolarHBondContact O-CB 3.46Å; I383-S403 PolarHBondContact O-OG 3.29Å; I383-F505 HydrophobicContact CD1-CD2 4.43Å; I383-F505 HydrophobicContact CG1-CB 3.95Å; I383-F505 HydrophobicContact CG1-CG 4.13Å; I383-F505 HydrophobicContact CG2-CD1 4.12Å; I383-F505 HydrophobicContact CG2-CE1 4.28Å; I383-F505 HydrophobicContact CG2-CG 4.42Å; I383-C523 HydrophobicContact CD1-CB 4.4Å
384	G	97.4	Very high	96.8	Very high	23 Å²	23	53 Å²	53	24%	0.237	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-126.3	178.7	0	0	0	0	0	111.7	G352 G386	G352-G384 PolarHBondContact N-O 3.43Å; G384-G386 PolarHBondContact O-N 2.97Å
385	K	97.9	Very high	96.7	Very high	106 Å²	106	48 Å²	48	46%	0.461	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-7.6	175.1	-58.7	167.6	-174.5	159	0	114.2	Y353 I383 V387 L402	Y353-K385 HydrophobicContact CE2-CG 4.3Å; I383-K385 PolarHBondContact O-N 2.83Å; K385-V387 PolarHBondContact O-N 2.74Å; K385-L402 HydrophobicContact CB-CB 3.77Å
386	G	98.4	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.			trans	58.4	-121.8	173.7	0	0	0	0	0	114.2	V350 I383 G384 L402 S403	V350-G386 WeakPolarHBondContact O-CA 3.28Å; I383-G386 WeakPolarHBondContact O-CA 3.49Å; I383-G386 PolarHBondContact O-N 3Å; G384-G386 PolarHBondContact O-N 2.97Å; G386-L402 CarbonylContact O-C 3.58Å; G386-L402 PolarHBondContact O-N 2.95Å; G386-S403 WeakPolarHBondContact O-CB 3.38Å; G386-S403 PolarHBondContact O-N 3.44Å
387	V	98.8	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.6	-174.7	-65.1	0	0	0	0	112	T349 V350 K385 V399 R400 V407 M503 F505	T349-V387 CarbonylContact C-O 2.98Å; T349-V387 WeakPolarHBondContact CA-O 3.38Å; V350-V387 HydrophobicContact CB-CG2 4.13Å; V350-V387 PolarHBondContact N-O 2.95Å; V350-V387 PolarHBondContact O-N 2.72Å; K385-V387 PolarHBondContact O-N 2.74Å; V387-V399 HydrophobicContact CG1-CG1 4.48Å; V387-R400 VanDerWaalsContact CA-O 3.29Å; V387-R400 WeakPolarHBondContact CA-O 3.43Å; V387-V407 HydrophobicContact CG1-CB 4.5Å; V387-V407 HydrophobicContact CG1-CG1 3.78Å; V387-V407 HydrophobicContact CG1-CG2 4.12Å; V387-M503 HydrophobicContact CB-SD 4.32Å; V387-M503 HydrophobicContact CG1-SD 3.77Å; V387-M503 HydrophobicContact CG2-CE 3.95Å; V387-M503 HydrophobicContact CG2-SD 3.86Å; V387-F505 HydrophobicContact CG1-CE1 4.15Å; V387-F505 HydrophobicContact CG2-CE1 4.02Å; V387-F505 HydrophobicContact CG2-CZ 4.26Å
388	Q	98.6	Very high	97	Very high	53 Å²	53	45 Å²	45	25%	0.248	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.8	159.8	-85.1	169.7	-17.3	0	0	110.2	I347 V348 T349 V399 R400 L402	I347-Q388 HydrophobicContact CG2-CB 4.38Å; I347-Q388 HydrophobicContact CG2-CG 4.14Å; V348-Q388 CarbonylContact O-C 3.33Å; V348-Q388 VanDerWaalsContact O-CA 3.32Å; V348-Q388 WeakPolarHBondContact O-CA 3.27Å; T349-Q388 HydrophobicContact CG2-CG 4.2Å; T349-Q388 VanDerWaalsContact OG1-CG 3.3Å; T349-Q388 WeakPolarHBondContact OG1-CG 3.35Å; T349-Q388 PolarHBondContact OG1-NE2 3.39Å; T349-Q388 VanDerWaalsContact OG1-NE2 3.15Å; Q388-V399 WeakPolarHBondContact O-CA 3.24Å; Q388-R400 HydrophobicContact CB-CB 4.17Å; Q388-R400 PolarHBondContact N-O 3.07Å; Q388-R400 PolarHBondContact O-N 3.27Å; Q388-L402 HydrophobicContact CB-CD1 4.47Å; Q388-L402 HydrophobicContact CG-CD1 3.76Å
389	L	98.6	Very high	97.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.6	165.5	-50.5	175.9	0	0	0	107.8	W323 I326 I347 V348 W398 V399 M503 I527	W323-L389 HydrophobicContact CH2-CB 3.9Å; I326-L389 HydrophobicContact CD1-CD1 3.9Å; I347-L389 WeakPolarHBondContact CA-O 3.17Å; V348-L389 HydrophobicContact CG1-CB 3.74Å; V348-L389 HydrophobicContact CG1-CD1 4.06Å; V348-L389 HydrophobicContact CG1-CG 4.17Å; V348-L389 PolarHBondContact N-O 2.91Å; V348-L389 PolarHBondContact O-N 3.36Å; L389-W398 WeakPolarHBondContact CA-O 3.42Å; L389-V399 HydrophobicContact CD2-CG2 3.72Å; L389-M503 HydrophobicContact CD2-CE 3.73Å; L389-I527 HydrophobicContact CD1-CG1 3.97Å; L389-I527 HydrophobicContact CD1-CG2 4.32Å
390	E	98.3	Very high	97.1	Very high	39 Å²	39	43.4 Å²	43.4	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.5	-178.5	176.3	-179.2	179.8	0	0	109.7	P346 I347 K392 V397 W398 Y434	P346-E390 CarbonylContact O-C 3.49Å; P346-E390 WeakPolarHBondContact O-CA 3.11Å; I347-E390 HydrophobicContact CD1-CG 4.43Å; I347-E390 HydrophobicContact CG1-CB 4.14Å; I347-E390 HydrophobicContact CG1-CG 3.9Å; E390-K392 HydrophobicContact CG-CG 4.16Å; E390-K392 WeakPolarHBondContact OE1-CE 3.19Å; E390-K392 IonicContact OE1-NZ 3.14Å; E390-V397 WeakPolarHBondContact O-CA 3.36Å; E390-W398 HydrophobicContact CB-CB 4.32Å; E390-W398 PolarHBondContact N-O 2.94Å; E390-W398 PolarHBondContact O-N 3.43Å; E390-Y434 VanDerWaalsContact CD-OH 3.26Å; E390-Y434 PolarHBondContact OE1-OH 2.95Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.49Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.27Å; E390-Y434 PolarHBondContact OE2-OH 3.43Å
391	C	97.6	Very high	97.1	Very high	23 Å²	23	42.1 Å²	42.1	16%	0.155	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.4	172.8	-172	0	0	0	0	109.8	W323 P346 D396	W323-C391 HydrophobicContact CD2-CB 3.73Å; W323-C391 HydrophobicContact CE3-CB 3.78Å; W323-C391 HydrophobicContact CG-CB 4.28Å; W323-C391 HydrophobicContact CH2-CB 4.16Å; W323-C391 HydrophobicContact CZ2-CB 4.1Å; W323-C391 HydrophobicContact CZ3-CB 4Å; P346-C391 PolarHBondContact O-N 3.41Å; C391-D396 CarbonylContact C-O 3.52Å; C391-D396 WeakPolarHBondContact CA-O 3.2Å
392	K	94.7	Very high	97.2	Very high	74 Å²	74	38 Å²	38	32%	0.322	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.6	178.5	-67.1	-166.2	-179.8	177.5	0	112	E390 E394 G395 D396 Y434	E390-K392 HydrophobicContact CG-CG 4.16Å; E390-K392 WeakPolarHBondContact OE1-CE 3.19Å; E390-K392 IonicContact OE1-NZ 3.14Å; K392-E394 PolarHBondContact O-N 3.03Å; K392-G395 PolarHBondContact O-N 2.95Å; K392-D396 HydrophobicContact CB-CB 4.47Å; K392-D396 PolarHBondContact N-O 2.73Å; K392-D396 PolarHBondContact O-N 3.3Å; K392-Y434 VanDerWaalsContact CE-OH 3.22Å; K392-Y434 WeakPolarHBondContact CE-OH 3.29Å; K392-Y434 PolarHBondContact NZ-OH 2.88Å
393	G	91.6	Very high	97.2	Very high	65 Å²	65	34.3 Å²	34.3	67%	0.67	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	-129.9	-179.9	0	0	0	0	0	110.9
394	E	90.2	Very high	97.2	Very high	57 Å²	57	40 Å²	40	27%	0.266	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.3	-179.2	-165.1	179.9	162.2	0	0	113.5	P313 I314 K392 L440 R441 R531	P313-E394 WeakPolarHBondContact CA-OE2 3.27Å; I314-E394 WeakPolarHBondContact CG1-OE2 3.43Å; I314-E394 PolarHBondContact N-OE1 2.9Å; I314-E394 PolarHBondContact N-OE2 3.29Å; K392-E394 PolarHBondContact O-N 3.03Å; E394-L440 HydrophobicContact CB-CD2 3.87Å; E394-L440 HydrophobicContact CG-CD2 3.73Å; E394-R441 IonicContact OE2-NH2 3.58Å; E394-R531 HydrophobicContact CG-CG 4.48Å; E394-R531 IonicContact OE1-CZ 3.16Å; E394-R531 IonicContact OE1-NE 3.21Å; E394-R531 PolarHBondContact OE1-NE 3.03Å; E394-R531 VanDerWaalsContact OE1-NE 3.16Å; E394-R531 IonicContact OE1-NH2 2.72Å; E394-R531 PolarHBondContact OE1-NH2 2.91Å
395	G	94.1	Very high	97.2	Very high	8 Å²	8	42.4 Å²	42.4	8%	0.082	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	161.3	23.3	-178.1	0	0	0	0	0	116.3	K392 F438	K392-G395 PolarHBondContact O-N 2.95Å; G395-F438 VanDerWaalsContact O-CD1 3.31Å; G395-F438 WeakPolarHBondContact O-CD1 3.47Å; G395-F438 WeakPolarHBondContact O-CE1 3.34Å
396	D	97.4	Very high	97.2	Very high	39 Å²	39	38 Å²	38	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.6	171.8	-77.4	-4.8	0	0	0	109.7	C391 K392 K436 D439 L440	C391-D396 CarbonylContact C-O 3.52Å; C391-D396 WeakPolarHBondContact CA-O 3.2Å; K392-D396 HydrophobicContact CB-CB 4.47Å; K392-D396 PolarHBondContact N-O 2.73Å; K392-D396 PolarHBondContact O-N 3.3Å; D396-K436 VanDerWaalsContact CG-CE 3.49Å; D396-K436 VanDerWaalsContact CG-NZ 3.32Å; D396-K436 IonicContact OD1-NZ 2.85Å; D396-K436 VanDerWaalsContact OD2-CE 3.26Å; D396-K436 WeakPolarHBondContact OD2-CE 3.4Å; D396-K436 IonicContact OD2-NZ 2.71Å; D396-K436 PolarHBondContact OD2-NZ 2.75Å; D396-D439 WeakPolarHBondContact OD1-CA 3.43Å; D396-L440 PolarHBondContact OD1-N 3.02Å
397	V	98.6	Very high	97.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.6	-176	-169.2	0	0	0	0	111.3	W323 E390 V437 F438 L501 L529	W323-V397 HydrophobicContact CZ3-CG1 4.34Å; W323-V397 HydrophobicContact CZ3-CG2 4.13Å; E390-V397 WeakPolarHBondContact O-CA 3.36Å; V397-V437 HydrophobicContact CB-CG2 4.24Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 PolarHBondContact O-N 2.87Å; V397-F438 HydrophobicContact CB-CB 3.9Å; V397-F438 HydrophobicContact CG2-CB 4.11Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.44Å; V397-F438 PolarHBondContact N-O 3.06Å; V397-F438 VanDerWaalsContact N-O 3.14Å; V397-F438 PolarHBondContact O-N 3.46Å; V397-L501 HydrophobicContact CB-CD1 4.33Å; V397-L501 HydrophobicContact CG1-CD1 4.25Å; V397-L529 HydrophobicContact CG2-CD1 3.88Å; V397-L529 HydrophobicContact CG2-CD2 3.77Å; V397-L529 HydrophobicContact CG2-CG 4.49Å
398	W	98.6	Very high	97.2	Very high	67 Å²	67	38.6 Å²	38.6	25%	0.254	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.1	173	-68.1	69.6	0	0	0	110.3	L389 E390 Y434 I435 K436	L389-W398 WeakPolarHBondContact CA-O 3.42Å; E390-W398 HydrophobicContact CB-CB 4.32Å; E390-W398 PolarHBondContact N-O 2.94Å; E390-W398 PolarHBondContact O-N 3.43Å; W398-Y434 HydrophobicContact CB-CE2 3.78Å; W398-Y434 HydrophobicContact CD2-CE1 4.28Å; W398-Y434 AromaticContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD2 4.47Å; W398-Y434 AromaticContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE2 4.15Å; W398-Y434 HydrophobicContact CE3-CG 4.41Å; W398-Y434 AromaticContact CE3-CZ 3.67Å; W398-Y434 HydrophobicContact CG-CE2 4.43Å; W398-Y434 HydrophobicContact CZ3-CD1 4.18Å; W398-Y434 AromaticContact CZ3-CE1 3.92Å; W398-Y434 HydrophobicContact CZ3-CE1 3.92Å; W398-I435 CarbonylContact C-O 3.58Å; W398-I435 WeakPolarHBondContact CA-O 3.33Å; W398-K436 HydrophobicContact CD2-CB 3.91Å; W398-K436 HydrophobicContact CD2-CG 4.45Å; W398-K436 HydrophobicContact CE3-CB 4.17Å; W398-K436 HydrophobicContact CH2-CB 4Å; W398-K436 HydrophobicContact CZ2-CB 3.74Å; W398-K436 HydrophobicContact CZ2-CD 4.24Å; W398-K436 HydrophobicContact CZ2-CG 4.22Å; W398-K436 HydrophobicContact CZ3-CB 4.21Å
399	V	98.6	Very high	97.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.1	173.7	173.3	0	0	0	0	108.9	V387 Q388 L389 I429 Y434 I435 V437	V387-V399 HydrophobicContact CG1-CG1 4.48Å; Q388-V399 WeakPolarHBondContact O-CA 3.24Å; L389-V399 HydrophobicContact CD2-CG2 3.72Å; V399-I429 HydrophobicContact CB-CD1 4.08Å; V399-I429 HydrophobicContact CG1-CD1 3.9Å; V399-Y434 WeakPolarHBondContact O-CA 3.35Å; V399-I435 PolarHBondContact N-O 2.97Å; V399-I435 PolarHBondContact O-N 3.25Å; V399-V437 HydrophobicContact CB-CG1 3.84Å; V399-V437 HydrophobicContact CG2-CB 4.18Å; V399-V437 HydrophobicContact CG2-CG1 3.53Å; V399-V437 HydrophobicContact CG2-CG2 3.57Å
400	R	98.4	Very high	97.1	Very high	102 Å²	102	37.8 Å²	37.8	39%	0.385	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	165.5	-169.7	176.6	-66.6	-149.3	1.2	109.5	V387 Q388 L402 A433 Y434	V387-R400 VanDerWaalsContact CA-O 3.29Å; V387-R400 WeakPolarHBondContact CA-O 3.43Å; Q388-R400 HydrophobicContact CB-CB 4.17Å; Q388-R400 PolarHBondContact N-O 3.07Å; Q388-R400 PolarHBondContact O-N 3.27Å; R400-L402 HydrophobicContact CG-CD2 3.93Å; R400-L402 PolarHBondContact O-N 3.49Å; R400-A433 WeakPolarHBondContact CA-O 3.19Å; R400-Y434 HydrophobicContact CB-CD2 3.82Å; R400-Y434 HydrophobicContact CG-CD2 4.28Å
401	C	98.4	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	108.5	173.5	-168.4	0	0	0	0	110.1	H405 I429 Y430 S432 A433	C401-H405 PolarHBondContact SG-O 2.99Å; C401-H405 VanDerWaalsContact SG-O 3.4Å; C401-I429 HydrophobicContact CB-CG2 4.05Å; C401-Y430 VanDerWaalsContact CB-O 3.26Å; C401-Y430 WeakPolarHBondContact CB-O 3.42Å; C401-S432 VanDerWaalsContact O-CA 3.3Å; C401-S432 WeakPolarHBondContact O-CA 3.48Å; C401-S432 PolarHBondContact O-N 3.22Å; C401-A433 PolarHBondContact N-O 3.36Å
402	L	98.2	Very high	96.9	Very high	54 Å²	54	36.6 Å²	36.6	28%	0.283	19%	0.191	S	C	.	.			trans	-95.4	-21.1	178	-62.8	-177.4	0	0	0	112.7	T349 K385 G386 Q388 R400	T349-L402 HydrophobicContact CG2-CD1 4.47Å; K385-L402 HydrophobicContact CB-CB 3.77Å; G386-L402 CarbonylContact O-C 3.58Å; G386-L402 PolarHBondContact O-N 2.95Å; Q388-L402 HydrophobicContact CB-CD1 4.47Å; Q388-L402 HydrophobicContact CG-CD1 3.76Å; R400-L402 HydrophobicContact CG-CD2 3.93Å; R400-L402 PolarHBondContact O-N 3.49Å
403	S	98.1	Very high	97	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	18%	0.182	C	C	.	.	S	Bend	trans	-64.1	148.9	174.2	-171.8	0	0	0	0	111.5	H382 I383 G386 H405 P431	H382-S403 PolarHBondContact O-OG 3.18Å; I383-S403 VanDerWaalsContact O-CB 3.25Å; I383-S403 WeakPolarHBondContact O-CB 3.46Å; I383-S403 PolarHBondContact O-OG 3.29Å; G386-S403 WeakPolarHBondContact O-CB 3.38Å; G386-S403 PolarHBondContact O-N 3.44Å; S403-H405 PolarHBondContact O-N 2.96Å; S403-H405 PolarHBondContact OG-N 3.25Å; S403-H405 VanDerWaalsContact OG-N 3.17Å; S403-P431 WeakPolarHBondContact O-CB 3.42Å
404	D	97.7	Very high	97.2	Very high	122 Å²	122	32 Å²	32	65%	0.652	15%	0.152	S	C	*	.	S	Bend	trans	-70.8	-6.5	169.3	-49.2	-65.1	0	0	0	111.9	P431	D404-P431 VanDerWaalsContact O-CG 3.28Å; D404-P431 WeakPolarHBondContact O-CG 3.29Å
405	H	98.1	Very high	97.3	Very high	72 Å²	72	29.3 Å²	29.3	33%	0.333	14%	0.14	S	C	.	.	S	Bend	trans	-113	144.4	177.2	-69.7	66.9	0	0	0	111.8	H382 C401 S403 V506	H382-H405 AromaticContact CD2-CE1 3.46Å; H382-H405 PolarHBondContact CD2-CE1 3.26Å; H382-H405 VanDerWaalsContact CD2-CE1 3.46Å; H382-H405 AromaticContact CD2-NE2 3.45Å; H382-H405 PolarHBondContact CD2-NE2 3.1Å; C401-H405 PolarHBondContact SG-O 2.99Å; C401-H405 VanDerWaalsContact SG-O 3.4Å; S403-H405 PolarHBondContact O-N 2.96Å; S403-H405 PolarHBondContact OG-N 3.25Å; S403-H405 VanDerWaalsContact OG-N 3.17Å; H405-V506 HydrophobicContact CB-CG2 4.26Å
406	A	97.9	Very high	97.1	Very high	15 Å²	15	35.5 Å²	35.5	12%	0.124	16%	0.161	C	C	.	.			trans	-63.5	147.7	174.8	0	0	0	0	0	112	K428 I429 V506	A406-K428 HydrophobicContact CB-CD 4.47Å; A406-K428 HydrophobicContact CB-CG 3.94Å; A406-I429 VanDerWaalsContact CA-O 3.25Å; A406-I429 WeakPolarHBondContact CA-O 3.35Å; A406-I429 WeakPolarHBondContact CB-O 3.44Å; A406-V506 PolarHBondContact O-N 3.45Å
407	V	98.6	Very high	96.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	154.1	170.4	-60.2	0	0	0	0	110.4	V387 V409 K428 I429 M503 S504 F505	V387-V407 HydrophobicContact CG1-CB 4.5Å; V387-V407 HydrophobicContact CG1-CG1 3.78Å; V387-V407 HydrophobicContact CG1-CG2 4.12Å; V407-V409 HydrophobicContact CG2-CG2 4.45Å; V407-K428 WeakPolarHBondContact O-CA 3.21Å; V407-I429 HydrophobicContact CG2-CB 3.86Å; V407-I429 HydrophobicContact CG2-CD1 4.49Å; V407-I429 HydrophobicContact CG2-CG2 4.44Å; V407-I429 PolarHBondContact N-O 2.85Å; V407-I429 PolarHBondContact O-N 3.15Å; V407-M503 HydrophobicContact CB-CG 4.39Å; V407-M503 HydrophobicContact CB-SD 4.1Å; V407-M503 HydrophobicContact CG1-SD 4.37Å; V407-M503 HydrophobicContact CG2-SD 4.03Å; V407-S504 WeakPolarHBondContact CA-O 3.38Å; V407-F505 HydrophobicContact CG1-CD1 3.81Å; V407-F505 HydrophobicContact CG1-CE1 4.35Å
408	F	98.6	Very high	96.3	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.044	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.9	-173.1	-61.8	-90.8	0	0	0	108.8	L288 V426 H427 K428 M503 S504 K507 G508 W509 Y513	L288-F408 HydrophobicContact CD1-CD1 4.4Å; L288-F408 HydrophobicContact CD1-CE1 4.37Å; F408-V426 HydrophobicContact CB-CG1 3.95Å; F408-V426 HydrophobicContact CD1-CG1 4.26Å; F408-H427 WeakPolarHBondContact CA-O 3.48Å; F408-K428 HydrophobicContact CD1-CB 3.96Å; F408-K428 HydrophobicContact CD1-CG 4.1Å; F408-K428 HydrophobicContact CE1-CB 3.84Å; F408-K428 HydrophobicContact CE1-CD 3.76Å; F408-K428 HydrophobicContact CE1-CG 3.57Å; F408-K428 HydrophobicContact CZ-CD 4.16Å; F408-K428 HydrophobicContact CZ-CG 4.05Å; F408-M503 CarbonylContact O-C 3.54Å; F408-M503 VanDerWaalsContact O-CA 3.29Å; F408-M503 WeakPolarHBondContact O-CA 3.44Å; F408-S504 PolarHBondContact N-O 2.86Å; F408-S504 PolarHBondContact O-N 2.84Å; F408-K507 VanDerWaalsContact CD2-C 3.42Å; F408-G508 VanDerWaalsContact CD2-N 3.32Å; F408-G508 VanDerWaalsContact CE2-N 3.28Å; F408-G508 VanDerWaalsContact CG-CA 3.44Å; F408-W509 HydrophobicContact CB-CE3 4.15Å; F408-W509 HydrophobicContact CB-CH2 4.33Å; F408-W509 HydrophobicContact CB-CZ3 3.58Å; F408-W509 WeakPolarHBondContact O-CH2 3.49Å; F408-W509 VanDerWaalsContact O-CZ3 3.29Å; F408-W509 WeakPolarHBondContact O-CZ3 3.5Å; F408-Y513 HydrophobicContact CE1-CE1 4.49Å; F408-Y513 AromaticContact CE1-CZ 3.87Å; F408-Y513 VanDerWaalsContact CE1-OH 3.23Å; F408-Y513 WeakPolarHBondContact CE1-OH 3.21Å
409	V	98.3	Very high	95.9	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.5	-169.2	-179.8	0	0	0	0	111.1	V407 H427 I429 R502 M503	V407-V409 HydrophobicContact CG2-CG2 4.45Å; V409-H427 HydrophobicContact CB-CB 4.43Å; V409-H427 PolarHBondContact N-O 2.94Å; V409-H427 WeakPolarHBondContact O-CB 3.29Å; V409-H427 PolarHBondContact O-N 2.94Å; V409-I429 HydrophobicContact CB-CD1 4.29Å; V409-I429 HydrophobicContact CG2-CD1 3.52Å; V409-I429 HydrophobicContact CG2-CG1 4.17Å; V409-R502 CarbonylContact C-O 3.48Å; V409-R502 WeakPolarHBondContact CA-O 3.16Å; V409-M503 HydrophobicContact CG2-CB 4.28Å
410	Q	97.6	Very high	95.4	Very high	36 Å²	36	43.8 Å²	43.8	17%	0.168	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.3	162.8	-163.6	-174.2	-25.3	0	0	107.9	R502 W509	Q410-R502 HydrophobicContact CB-CB 4.06Å; Q410-R502 PolarHBondContact N-O 2.99Å; Q410-R502 PolarHBondContact O-N 3.43Å; Q410-W509 HydrophobicContact CB-CH2 4.35Å; Q410-W509 HydrophobicContact CB-CZ2 4Å
411	S	97	Very high	94.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	23%	0.227	C	C	.	.			trans	-153	121.3	176	168.7	0	0	0	0	111.4	Y413 L414 D415 V437	S411-Y413 PolarHBondContact O-N 3.29Å; S411-Y413 PolarHBondContact OG-N 3.11Å; S411-L414 PolarHBondContact O-N 3.19Å; S411-L414 VanDerWaalsContact O-N 3.08Å; S411-L414 PolarHBondContact OG-N 2.88Å; S411-D415 VanDerWaalsContact O-CG 3.29Å; S411-D415 PolarHBondContact O-N 2.76Å; S411-V437 WeakPolarHBondContact CB-O 3.33Å; S411-V437 PolarHBondContact OG-O 3.32Å
412	Y	94.6	Very high	94	Very high	35 Å²	35	45.6 Å²	45.6	14%	0.137	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-29.5	173.3	-67.9	-72.1	0	0	0	113.9	D415 R416 P422 R497 L498	Y412-D415 WeakPolarHBondContact CA-OD2 3.39Å; Y412-R416 PolarHBondContact O-N 3.15Å; Y412-P422 HydrophobicContact CD1-CB 3.61Å; Y412-P422 HydrophobicContact CE1-CB 3.7Å; Y412-R497 HydrophobicContact CE2-CB 3.77Å; Y412-R497 WeakPolarHBondContact CE2-O 3.39Å; Y412-L498 HydrophobicContact CD1-CD2 4.39Å; Y412-L498 HydrophobicContact CD2-CD2 4.02Å; Y412-L498 HydrophobicContact CG-CD2 3.93Å
413	Y	96.1	Very high	93.3	Very high	34 Å²	34	44.5 Å²	44.5	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-52	172.1	168.1	-100.6	0	0	0	109.7	S411 D415 R416 E417 K436 D439	S411-Y413 PolarHBondContact O-N 3.29Å; S411-Y413 PolarHBondContact OG-N 3.11Å; Y413-D415 PolarHBondContact O-N 3.03Å; Y413-R416 PolarHBondContact O-N 3.45Å; Y413-E417 HydrophobicContact CD1-CG 4.37Å; Y413-E417 HydrophobicContact CD2-CG 4.27Å; Y413-E417 HydrophobicContact CE1-CG 3.88Å; Y413-E417 HydrophobicContact CE2-CG 3.72Å; Y413-E417 VanDerWaalsContact CZ-CG 3.49Å; Y413-E417 WeakPolarHBondContact O-CG 3.31Å; Y413-E417 PolarHBondContact O-N 2.76Å; Y413-E417 PolarHBondContact OH-OE2 3.34Å; Y413-K436 HydrophobicContact CE1-CB 4.12Å; Y413-K436 HydrophobicContact CE1-CD 4.27Å; Y413-K436 HydrophobicContact CE1-CG 4.01Å; Y413-K436 WeakPolarHBondContact CE1-O 3.25Å; Y413-D439 HydrophobicContact CD2-CB 3.65Å; Y413-D439 HydrophobicContact CE2-CB 3.77Å; Y413-D439 HydrophobicContact CG-CB 4.49Å
414	L	95.3	Very high	92.7	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-34.8	-178.8	-65.9	179	0	0	0	113.2	S411 R416 E417 A418 H427 I435 K436 V437	S411-L414 PolarHBondContact O-N 3.19Å; S411-L414 VanDerWaalsContact O-N 3.08Å; S411-L414 PolarHBondContact OG-N 2.88Å; L414-R416 VanDerWaalsContact C-N 3.26Å; L414-R416 PolarHBondContact O-N 3.25Å; L414-E417 PolarHBondContact O-N 3.43Å; L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.03Å; L414-H427 WeakPolarHBondContact CB-CE1 3.23Å; L414-H427 WeakPolarHBondContact CB-ND1 3.37Å; L414-H427 HydrophobicContact CD1-CB 3.74Å; L414-H427 PolarHBondContact O-CE1 3.19Å; L414-H427 VanDerWaalsContact O-CE1 3.24Å; L414-I435 HydrophobicContact CD2-CD1 4.12Å; L414-I435 HydrophobicContact CD2-CG1 4.5Å; L414-K436 WeakPolarHBondContact CD2-O 3.36Å; L414-V437 HydrophobicContact CD1-CB 4.37Å; L414-V437 HydrophobicContact CD1-CG1 4.13Å
415	D	93.4	Very high	92.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-53.1	-49.8	172.4	-67.6	-44	0	0	0	109.5	S411 Y412 Y413 A418 G419 R420 G423 A425 H427	S411-D415 VanDerWaalsContact O-CG 3.29Å; S411-D415 PolarHBondContact O-N 2.76Å; Y412-D415 WeakPolarHBondContact CA-OD2 3.39Å; Y413-D415 PolarHBondContact O-N 3.03Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.97Å; D415-G419 PolarHBondContact O-N 3.1Å; D415-R420 HydrophobicContact CB-CB 4.41Å; D415-R420 WeakPolarHBondContact O-CB 3.15Å; D415-R420 PolarHBondContact O-N 3.22Å; D415-G423 WeakPolarHBondContact OD2-CA 3.35Å; D415-G423 PolarHBondContact OD2-N 2.84Å; D415-A425 WeakPolarHBondContact OD1-CB 3.47Å; D415-A425 PolarHBondContact OD1-N 3.49Å; D415-H427 PolarHBondContact N-NE2 2.71Å; D415-H427 IonicContact OD1-NE2 2.98Å; D415-H427 PolarHBondContact OD1-NE2 2.72Å
416	R	90.8	Very high	92.3	Very high	137 Å²	137	38.4 Å²	38.4	52%	0.517	23%	0.226	S	C	.	.	H	α-helix	trans	-66.2	-44.8	-179.6	174.9	176.4	168.6	165.7	4.4	112.9	Y412 Y413 L414 A418 G419	Y412-R416 PolarHBondContact O-N 3.15Å; Y413-R416 PolarHBondContact O-N 3.45Å; L414-R416 VanDerWaalsContact C-N 3.26Å; L414-R416 PolarHBondContact O-N 3.25Å; R416-A418 PolarHBondContact O-N 3.18Å; R416-G419 PolarHBondContact O-N 2.83Å
417	E	90.7	Very high	92.3	Very high	115 Å²	115	37.7 Å²	37.7	54%	0.537	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-27.2	177	-60.4	-63.1	103.6	0	0	111.8	Y413 L414 Q442	Y413-E417 HydrophobicContact CD1-CG 4.37Å; Y413-E417 HydrophobicContact CD2-CG 4.27Å; Y413-E417 HydrophobicContact CE1-CG 3.88Å; Y413-E417 HydrophobicContact CE2-CG 3.72Å; Y413-E417 VanDerWaalsContact CZ-CG 3.49Å; Y413-E417 WeakPolarHBondContact O-CG 3.31Å; Y413-E417 PolarHBondContact O-N 2.76Å; Y413-E417 PolarHBondContact OH-OE2 3.34Å; L414-E417 PolarHBondContact O-N 3.43Å; E417-Q442 PolarHBondContact OE1-NE2 3Å
418	A	87.7	Confident	92.2	Very high	39 Å²	39	39.7 Å²	39.7	32%	0.322	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.4	172.8	0	0	0	0	0	114.2	Q289 L414 D415 R416 R420	Q289-A418 HydrophobicContact CG-CB 4.31Å; L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.03Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.97Å; R416-A418 PolarHBondContact O-N 3.18Å; A418-R420 VanDerWaalsContact C-N 3.27Å; A418-R420 HydrophobicContact CB-CG 3.95Å; A418-R420 PolarHBondContact O-N 2.73Å
419	G	89	Confident	92.2	Very high	72 Å²	72	39.2 Å²	39.2	74%	0.742	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	22	-176.9	0	0	0	0	0	114.6	D415 R416	D415-G419 PolarHBondContact O-N 3.1Å; R416-G419 PolarHBondContact O-N 2.83Å
420	R	89.5	Confident	92.2	Very high	57 Å²	57	42.4 Å²	42.4	22%	0.215	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-92.3	162.8	-179.4	-60.8	-71.6	-64.9	164.6	5.6	111.3	D415 A418 D424 A425	D415-R420 HydrophobicContact CB-CB 4.41Å; D415-R420 WeakPolarHBondContact O-CB 3.15Å; D415-R420 PolarHBondContact O-N 3.22Å; A418-R420 VanDerWaalsContact C-N 3.27Å; A418-R420 HydrophobicContact CB-CG 3.95Å; A418-R420 PolarHBondContact O-N 2.73Å; R420-D424 IonicContact CZ-OD2 3.23Å; R420-D424 PolarHBondContact NE-O 2.75Å; R420-D424 PolarHBondContact NH2-O 3.13Å; R420-D424 IonicContact NH2-OD2 2.75Å; R420-D424 PolarHBondContact NH2-OD2 3.16Å; R420-A425 HydrophobicContact CB-CB 4.27Å; R420-A425 HydrophobicContact CG-CB 4.05Å
421	A	83.1	Confident	92.2	Very high	53 Å²	53	42.6 Å²	42.6	44%	0.438	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-70.9	147.8	172.2	0	0	0	0	0	110.8	G423 D424	A421-G423 PolarHBondContact O-N 3.1Å; A421-G423 VanDerWaalsContact O-N 3.15Å; A421-D424 HydrophobicContact CB-CB 3.87Å; A421-D424 WeakPolarHBondContact O-CB 3.41Å; A421-D424 PolarHBondContact O-N 2.8Å
422	P	84.2	Confident	92.1	Very high	88 Å²	88	47.1 Å²	47.1	57%	0.571	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	116.4	179.6	-30.3	37.9	0	0	0	113.5	Y412 D424	Y412-P422 HydrophobicContact CD1-CB 3.61Å; Y412-P422 HydrophobicContact CE1-CB 3.7Å; P422-D424 VanDerWaalsContact C-N 3.33Å
423	G	84.3	Confident	92.2	Very high	31 Å²	31	45.6 Å²	45.6	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	6.7	-178.6	0	0	0	0	0	115.5	D415 A421	D415-G423 WeakPolarHBondContact OD2-CA 3.35Å; D415-G423 PolarHBondContact OD2-N 2.84Å; A421-G423 PolarHBondContact O-N 3.1Å; A421-G423 VanDerWaalsContact O-N 3.15Å
424	D	85	Confident	92.2	Very high	65 Å²	65	47.7 Å²	47.7	35%	0.348	28%	0.277	S	S	.	.			trans	-100.2	28	-178.8	-165.8	53.8	0	0	0	113.1	H287 R420 A421 P422	H287-D424 PolarHBondContact CD2-O 2.77Å; H287-D424 IonicContact CD2-OD1 3.22Å; H287-D424 PolarHBondContact CE1-O 3.09Å; H287-D424 IonicContact CE1-OD1 3.74Å; H287-D424 PolarHBondContact NE2-O 3.2Å; H287-D424 VanDerWaalsContact NE2-O 3.12Å; H287-D424 IonicContact NE2-OD1 3.4Å; H287-D424 PolarHBondContact NE2-OD1 2.79Å; H287-D424 IonicContact NE2-OD2 3.99Å; R420-D424 IonicContact CZ-OD2 3.23Å; R420-D424 PolarHBondContact NE-O 2.75Å; R420-D424 PolarHBondContact NH2-O 3.13Å; R420-D424 IonicContact NH2-OD2 2.75Å; R420-D424 PolarHBondContact NH2-OD2 3.16Å; A421-D424 HydrophobicContact CB-CB 3.87Å; A421-D424 WeakPolarHBondContact O-CB 3.41Å; A421-D424 PolarHBondContact O-N 2.8Å; P422-D424 VanDerWaalsContact C-N 3.33Å
425	A	89.9	Confident	92.3	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	28%	0.284	C	S	.	.			trans	-148.3	162.6	168.8	0	0	0	0	0	113	H287 Q289 D415 R420	H287-A425 VanDerWaalsContact O-CA 3.28Å; H287-A425 WeakPolarHBondContact O-CA 3.44Å; H287-A425 WeakPolarHBondContact O-CB 3.32Å; Q289-A425 HydrophobicContact CG-CB 4.01Å; D415-A425 WeakPolarHBondContact OD1-CB 3.47Å; D415-A425 PolarHBondContact OD1-N 3.49Å; R420-A425 HydrophobicContact CB-CB 4.27Å; R420-A425 HydrophobicContact CG-CB 4.05Å
426	V	96.6	Very high	92.6	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.5	171.6	179.6	0	0	0	0	109	H287 L288 Q289 F408 W509	H287-V426 PolarHBondContact O-N 3.15Å; L288-V426 WeakPolarHBondContact CD1-O 3.37Å; Q289-V426 PolarHBondContact N-O 3.28Å; F408-V426 HydrophobicContact CB-CG1 3.95Å; F408-V426 HydrophobicContact CD1-CG1 4.26Å; V426-W509 HydrophobicContact CB-CZ2 4.43Å; V426-W509 HydrophobicContact CG1-CD2 4.26Å; V426-W509 HydrophobicContact CG1-CE3 4.21Å; V426-W509 HydrophobicContact CG1-CH2 3.89Å; V426-W509 HydrophobicContact CG1-CZ2 3.91Å; V426-W509 HydrophobicContact CG1-CZ3 4.05Å; V426-W509 HydrophobicContact CG2-CD2 4.17Å; V426-W509 HydrophobicContact CG2-CG 4.47Å; V426-W509 HydrophobicContact CG2-CZ2 3.75Å; V426-W509 WeakPolarHBondContact CG2-O 3.49Å
427	H	97.3	Very high	92.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	105.9	-170.9	-65.4	-99.5	0	0	0	110.6	H291 F408 V409 L414 D415 I429	H291-H427 AromaticContact CD2-ND1 3.93Å; H291-H427 AromaticContact CE1-ND1 3.86Å; H291-H427 AromaticContact NE2-CG 3.91Å; H291-H427 AromaticContact NE2-ND1 3.09Å; H291-H427 PolarHBondContact NE2-ND1 3.41Å; F408-H427 WeakPolarHBondContact CA-O 3.48Å; V409-H427 HydrophobicContact CB-CB 4.43Å; V409-H427 PolarHBondContact N-O 2.94Å; V409-H427 WeakPolarHBondContact O-CB 3.29Å; V409-H427 PolarHBondContact O-N 2.94Å; L414-H427 WeakPolarHBondContact CB-CE1 3.23Å; L414-H427 WeakPolarHBondContact CB-ND1 3.37Å; L414-H427 HydrophobicContact CD1-CB 3.74Å; L414-H427 PolarHBondContact O-CE1 3.19Å; L414-H427 VanDerWaalsContact O-CE1 3.24Å; D415-H427 PolarHBondContact N-NE2 2.71Å; D415-H427 IonicContact OD1-NE2 2.98Å; D415-H427 PolarHBondContact OD1-NE2 2.72Å; H427-I429 PolarHBondContact O-N 3.13Å
428	K	98.1	Very high	93.3	Very high	42 Å²	42	38.7 Å²	38.7	18%	0.183	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	105	176.7	-177.4	-177.3	-178	-173.4	0	110.5	L288 Q289 H291 A406 V407 F408 Y430	L288-K428 HydrophobicContact CD1-CB 3.79Å; Q289-K428 PolarHBondContact O-N 2.91Å; H291-K428 PolarHBondContact N-O 2.75Å; A406-K428 HydrophobicContact CB-CD 4.47Å; A406-K428 HydrophobicContact CB-CG 3.94Å; V407-K428 WeakPolarHBondContact O-CA 3.21Å; F408-K428 HydrophobicContact CD1-CB 3.96Å; F408-K428 HydrophobicContact CD1-CG 4.1Å; F408-K428 HydrophobicContact CE1-CB 3.84Å; F408-K428 HydrophobicContact CE1-CD 3.76Å; F408-K428 HydrophobicContact CE1-CG 3.57Å; F408-K428 HydrophobicContact CZ-CD 4.16Å; F408-K428 HydrophobicContact CZ-CG 4.05Å; K428-Y430 HydrophobicContact CD-CD2 4.48Å; K428-Y430 HydrophobicContact CD-CE2 3.73Å; K428-Y430 HydrophobicContact CG-CD2 4.23Å; K428-Y430 HydrophobicContact CG-CE2 3.91Å; K428-Y430 PolarHBondContact NZ-OH 3.41Å
429	I	97.8	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.1	173.8	-55.4	179.1	0	0	0	108.1	V399 C401 A406 V407 V409 H427 A433 I435 V437	V399-I429 HydrophobicContact CB-CD1 4.08Å; V399-I429 HydrophobicContact CG1-CD1 3.9Å; C401-I429 HydrophobicContact CB-CG2 4.05Å; A406-I429 VanDerWaalsContact CA-O 3.25Å; A406-I429 WeakPolarHBondContact CA-O 3.35Å; A406-I429 WeakPolarHBondContact CB-O 3.44Å; V407-I429 HydrophobicContact CG2-CB 3.86Å; V407-I429 HydrophobicContact CG2-CD1 4.49Å; V407-I429 HydrophobicContact CG2-CG2 4.44Å; V407-I429 PolarHBondContact N-O 2.85Å; V407-I429 PolarHBondContact O-N 3.15Å; V409-I429 HydrophobicContact CB-CD1 4.29Å; V409-I429 HydrophobicContact CG2-CD1 3.52Å; V409-I429 HydrophobicContact CG2-CG1 4.17Å; H427-I429 PolarHBondContact O-N 3.13Å; I429-A433 HydrophobicContact CG2-CB 3.82Å; I429-I435 HydrophobicContact CD1-CG2 3.68Å; I429-I435 HydrophobicContact CG1-CG2 4.11Å; I429-I435 HydrophobicContact CG2-CG2 4.22Å; I429-V437 HydrophobicContact CD1-CG1 4.09Å
430	Y	97.9	Very high	94.1	Very high	70 Å²	70	35 Å²	35	28%	0.275	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-79.1	158.9	-177.3	-79.8	-110.2	0	0	0	112.1	H290 H291 C401 K428 S432 A433	H290-Y430 HydrophobicContact CB-CE2 4.2Å; H290-Y430 AromaticContact ND1-CE2 3.71Å; H290-Y430 AromaticContact ND1-CZ 3.74Å; H290-Y430 PolarHBondContact ND1-OH 3.19Å; H291-Y430 WeakPolarHBondContact O-CD2 3.16Å; H291-Y430 PolarHBondContact O-N 3.43Å; H291-Y430 VanDerWaalsContact O-N 3.08Å; C401-Y430 VanDerWaalsContact CB-O 3.26Å; C401-Y430 WeakPolarHBondContact CB-O 3.42Å; K428-Y430 HydrophobicContact CD-CD2 4.48Å; K428-Y430 HydrophobicContact CD-CE2 3.73Å; K428-Y430 HydrophobicContact CG-CD2 4.23Å; K428-Y430 HydrophobicContact CG-CE2 3.91Å; K428-Y430 PolarHBondContact NZ-OH 3.41Å; Y430-S432 PolarHBondContact O-N 2.98Å; Y430-A433 WeakPolarHBondContact O-CB 3.4Å; Y430-A433 PolarHBondContact O-N 3.45Å
431	P	97.9	Very high	94.3	Very high	40 Å²	40	35.4 Å²	35.4	26%	0.26	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	139.7	171	-30.3	37.7	0	0	0	112.6	S403 D404 A433	S403-P431 WeakPolarHBondContact O-CB 3.42Å; D404-P431 VanDerWaalsContact O-CG 3.28Å; D404-P431 WeakPolarHBondContact O-CG 3.29Å; P431-A433 PolarHBondContact O-N 2.91Å; P431-A433 VanDerWaalsContact O-N 3.08Å
432	S	94.6	Very high	94.8	Very high	98 Å²	98	33.5 Å²	33.5	69%	0.685	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	0.1	-174.6	-53.9	0	0	0	0	116.6	C401 Y430	C401-S432 VanDerWaalsContact O-CA 3.3Å; C401-S432 WeakPolarHBondContact O-CA 3.48Å; C401-S432 PolarHBondContact O-N 3.22Å; Y430-S432 PolarHBondContact O-N 2.98Å
433	A	96.3	Very high	95.4	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.025	16%	0.157	C	C	.	.			trans	-70.9	146.6	173.9	0	0	0	0	0	111.2	P293 R400 C401 I429 Y430 P431	P293-A433 HydrophobicContact CB-CB 4.28Å; R400-A433 WeakPolarHBondContact CA-O 3.19Å; C401-A433 PolarHBondContact N-O 3.36Å; I429-A433 HydrophobicContact CG2-CB 3.82Å; Y430-A433 WeakPolarHBondContact O-CB 3.4Å; Y430-A433 PolarHBondContact O-N 3.45Å; P431-A433 PolarHBondContact O-N 2.91Å; P431-A433 VanDerWaalsContact O-N 3.08Å
434	Y	97.6	Very high	95.8	Very high	77 Å²	77	29.3 Å²	29.3	30%	0.302	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	116.2	179.2	176.6	-114.2	0	0	0	109.2	E390 K392 W398 V399 R400	E390-Y434 VanDerWaalsContact CD-OH 3.26Å; E390-Y434 PolarHBondContact OE1-OH 2.95Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.49Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.27Å; E390-Y434 PolarHBondContact OE2-OH 3.43Å; K392-Y434 VanDerWaalsContact CE-OH 3.22Å; K392-Y434 WeakPolarHBondContact CE-OH 3.29Å; K392-Y434 PolarHBondContact NZ-OH 2.88Å; W398-Y434 HydrophobicContact CB-CE2 3.78Å; W398-Y434 HydrophobicContact CD2-CE1 4.28Å; W398-Y434 AromaticContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD2 4.47Å; W398-Y434 AromaticContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE2 4.15Å; W398-Y434 HydrophobicContact CE3-CG 4.41Å; W398-Y434 AromaticContact CE3-CZ 3.67Å; W398-Y434 HydrophobicContact CG-CE2 4.43Å; W398-Y434 HydrophobicContact CZ3-CD1 4.18Å; W398-Y434 AromaticContact CZ3-CE1 3.92Å; W398-Y434 HydrophobicContact CZ3-CE1 3.92Å; V399-Y434 WeakPolarHBondContact O-CA 3.35Å; R400-Y434 HydrophobicContact CB-CD2 3.82Å; R400-Y434 HydrophobicContact CG-CD2 4.28Å
435	I	97.6	Very high	96.2	Very high	34 Å²	34	33 Å²	33	17%	0.174	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.4	-166.4	-173.6	169	0	0	0	111.7	H291 W398 V399 L414 I429 V437	H291-I435 HydrophobicContact CB-CD1 4.09Å; H291-I435 WeakPolarHBondContact ND1-CD1 3.44Å; W398-I435 CarbonylContact C-O 3.58Å; W398-I435 WeakPolarHBondContact CA-O 3.33Å; V399-I435 PolarHBondContact N-O 2.97Å; V399-I435 PolarHBondContact O-N 3.25Å; L414-I435 HydrophobicContact CD2-CD1 4.12Å; L414-I435 HydrophobicContact CD2-CG1 4.5Å; I429-I435 HydrophobicContact CD1-CG2 3.68Å; I429-I435 HydrophobicContact CG1-CG2 4.11Å; I429-I435 HydrophobicContact CG2-CG2 4.22Å; I435-V437 HydrophobicContact CG2-CG1 4.1Å
436	K	98.1	Very high	96.3	Very high	31 Å²	31	34.4 Å²	34.4	14%	0.135	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.6	169.9	-168	176.7	-171.2	174.3	0	108.9	D396 W398 Y413 L414 F438 D439	D396-K436 VanDerWaalsContact CG-CE 3.49Å; D396-K436 VanDerWaalsContact CG-NZ 3.32Å; D396-K436 IonicContact OD1-NZ 2.85Å; D396-K436 VanDerWaalsContact OD2-CE 3.26Å; D396-K436 WeakPolarHBondContact OD2-CE 3.4Å; D396-K436 IonicContact OD2-NZ 2.71Å; D396-K436 PolarHBondContact OD2-NZ 2.75Å; W398-K436 HydrophobicContact CD2-CB 3.91Å; W398-K436 HydrophobicContact CD2-CG 4.45Å; W398-K436 HydrophobicContact CE3-CB 4.17Å; W398-K436 HydrophobicContact CH2-CB 4Å; W398-K436 HydrophobicContact CZ2-CB 3.74Å; W398-K436 HydrophobicContact CZ2-CD 4.24Å; W398-K436 HydrophobicContact CZ2-CG 4.22Å; W398-K436 HydrophobicContact CZ3-CB 4.21Å; Y413-K436 HydrophobicContact CE1-CB 4.12Å; Y413-K436 HydrophobicContact CE1-CD 4.27Å; Y413-K436 HydrophobicContact CE1-CG 4.01Å; Y413-K436 WeakPolarHBondContact CE1-O 3.25Å; L414-K436 WeakPolarHBondContact CD2-O 3.36Å; K436-F438 WeakPolarHBondContact CE-O 3.45Å; K436-D439 IonicContact NZ-OD2 2.7Å; K436-D439 PolarHBondContact NZ-OD2 3.22Å
437	V	98.2	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-6.8	179.1	-55.2	0	0	0	0	113	V397 V399 S411 L414 I429 I435 L501	V397-V437 HydrophobicContact CB-CG2 4.24Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 PolarHBondContact O-N 2.87Å; V399-V437 HydrophobicContact CB-CG1 3.84Å; V399-V437 HydrophobicContact CG2-CB 4.18Å; V399-V437 HydrophobicContact CG2-CG1 3.53Å; V399-V437 HydrophobicContact CG2-CG2 3.57Å; S411-V437 WeakPolarHBondContact CB-O 3.33Å; S411-V437 PolarHBondContact OG-O 3.32Å; L414-V437 HydrophobicContact CD1-CB 4.37Å; L414-V437 HydrophobicContact CD1-CG1 4.13Å; I429-V437 HydrophobicContact CD1-CG1 4.09Å; I435-V437 HydrophobicContact CG2-CG1 4.1Å; V437-L501 HydrophobicContact CG2-CD1 3.66Å; V437-L501 HydrophobicContact CG2-CD2 4.28Å
438	F	98.4	Very high	95.9	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	142	178.6	-178.5	-96.6	0	0	0	111	G395 V397 K436 L440 C443 L498 L501 L529 A532	G395-F438 VanDerWaalsContact O-CD1 3.31Å; G395-F438 WeakPolarHBondContact O-CD1 3.47Å; G395-F438 WeakPolarHBondContact O-CE1 3.34Å; V397-F438 HydrophobicContact CB-CB 3.9Å; V397-F438 HydrophobicContact CG2-CB 4.11Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.44Å; V397-F438 PolarHBondContact N-O 3.06Å; V397-F438 VanDerWaalsContact N-O 3.14Å; V397-F438 PolarHBondContact O-N 3.46Å; K436-F438 WeakPolarHBondContact CE-O 3.45Å; F438-L440 HydrophobicContact CE1-CB 4.02Å; F438-L440 HydrophobicContact CE1-CD1 3.8Å; F438-L440 HydrophobicContact CZ-CD1 4.16Å; F438-C443 HydrophobicContact CE1-CB 4.4Å; F438-C443 HydrophobicContact CE2-CB 3.62Å; F438-C443 VanDerWaalsContact CE2-SG 3.58Å; F438-C443 HydrophobicContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-SG 3.59Å; F438-L498 WeakPolarHBondContact CE2-O 3.36Å; F438-L501 HydrophobicContact CB-CD1 4.27Å; F438-L501 HydrophobicContact CB-CD2 4.48Å; F438-L529 HydrophobicContact CB-CD1 4.15Å; F438-L529 HydrophobicContact CD1-CD1 3.53Å; F438-L529 HydrophobicContact CD2-CD1 3.61Å; F438-L529 HydrophobicContact CE1-CD1 3.71Å; F438-L529 HydrophobicContact CE2-CD1 3.79Å; F438-L529 HydrophobicContact CG-CD1 3.48Å; F438-L529 VanDerWaalsContact CG-CD1 3.48Å; F438-L529 HydrophobicContact CZ-CD1 3.83Å; F438-A532 HydrophobicContact CE1-CB 4.42Å; F438-A532 HydrophobicContact CZ-CB 3.76Å
439	D	97.3	Very high	95.5	Very high	29 Å²	29	42.4 Å²	42.4	16%	0.155	20%	0.201	C	C	.	.			trans	-127.2	117.4	175.4	-177	-67.9	0	0	0	109.5	D396 Y413 K436 R441 Q442 C443	D396-D439 WeakPolarHBondContact OD1-CA 3.43Å; Y413-D439 HydrophobicContact CD2-CB 3.65Å; Y413-D439 HydrophobicContact CE2-CB 3.77Å; Y413-D439 HydrophobicContact CG-CB 4.49Å; K436-D439 IonicContact NZ-OD2 2.7Å; K436-D439 PolarHBondContact NZ-OD2 3.22Å; D439-R441 PolarHBondContact O-N 3.02Å; D439-R441 PolarHBondContact OD1-N 2.82Å; D439-R441 VanDerWaalsContact OD1-N 3.07Å; D439-Q442 HydrophobicContact CB-CB 3.82Å; D439-Q442 PolarHBondContact O-N 3.19Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.37Å; D439-Q442 PolarHBondContact OD1-N 2.94Å; D439-C443 VanDerWaalsContact O-CB 3.29Å; D439-C443 WeakPolarHBondContact O-CB 3.48Å; D439-C443 PolarHBondContact O-N 2.57Å
440	L	96.4	Very high	95.1	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-35.6	-172.6	-171.3	71.5	0	0	0	111.9	I314 E394 D396 F438 C443 H444 R531 A532 L535	I314-L440 HydrophobicContact CD1-CB 4.05Å; I314-L440 HydrophobicContact CD1-CD2 3.59Å; I314-L440 HydrophobicContact CD1-CG 3.58Å; E394-L440 HydrophobicContact CB-CD2 3.87Å; E394-L440 HydrophobicContact CG-CD2 3.73Å; D396-L440 PolarHBondContact OD1-N 3.02Å; F438-L440 HydrophobicContact CE1-CB 4.02Å; F438-L440 HydrophobicContact CE1-CD1 3.8Å; F438-L440 HydrophobicContact CZ-CD1 4.16Å; L440-C443 PolarHBondContact O-N 3.42Å; L440-H444 WeakPolarHBondContact O-CB 3.5Å; L440-H444 PolarHBondContact O-N 2.61Å; L440-R531 HydrophobicContact CD1-CB 4.43Å; L440-R531 HydrophobicContact CD1-CG 4.13Å; L440-R531 HydrophobicContact CD2-CG 3.63Å; L440-A532 HydrophobicContact CD1-CB 3.99Å; L440-L535 HydrophobicContact CD1-CD1 3.93Å; L440-L535 HydrophobicContact CD2-CD1 4.19Å; L440-L535 HydrophobicContact CG-CD1 3.95Å
441	R	94.1	Very high	94.6	Very high	67 Å²	67	41.5 Å²	41.5	25%	0.253	20%	0.2	S	C	.	.	H	α-helix	trans	-72.1	-37.8	179.4	-67.5	-176.1	-178.8	-93.2	-24.3	111.7	P312 I314 E394 D439 R445	P312-R441 PolarHBondContact O-NH1 3.28Å; P312-R441 PolarHBondContact O-NH2 3.22Å; I314-R441 HydrophobicContact CD1-CB 4.35Å; I314-R441 HydrophobicContact CD1-CG 3.56Å; I314-R441 HydrophobicContact CG1-CG 3.88Å; E394-R441 IonicContact OE2-NH2 3.58Å; D439-R441 PolarHBondContact O-N 3.02Å; D439-R441 PolarHBondContact OD1-N 2.82Å; D439-R441 VanDerWaalsContact OD1-N 3.07Å; R441-R445 WeakPolarHBondContact O-CG 3.25Å; R441-R445 PolarHBondContact O-N 2.69Å; R441-R445 PolarHBondContact O-NE 2.96Å
442	Q	93.7	Very high	94.1	Very high	12 Å²	12	42 Å²	42	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-47	173.4	-163.1	-161.8	86.9	0	0	110.3	E417 D439 R445 Q446	E417-Q442 PolarHBondContact OE1-NE2 3Å; D439-Q442 HydrophobicContact CB-CB 3.82Å; D439-Q442 PolarHBondContact O-N 3.19Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.37Å; D439-Q442 PolarHBondContact OD1-N 2.94Å; Q442-R445 PolarHBondContact O-N 2.81Å; Q442-Q446 WeakPolarHBondContact O-CB 3.48Å; Q442-Q446 PolarHBondContact O-N 3.04Å
443	C	95.3	Very high	93.7	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-50.8	177.1	-171.5	0	0	0	0	111.8	F438 D439 L440 R445 Q446 M447	F438-C443 HydrophobicContact CE1-CB 4.4Å; F438-C443 HydrophobicContact CE2-CB 3.62Å; F438-C443 VanDerWaalsContact CE2-SG 3.58Å; F438-C443 HydrophobicContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-SG 3.59Å; D439-C443 VanDerWaalsContact O-CB 3.29Å; D439-C443 WeakPolarHBondContact O-CB 3.48Å; D439-C443 PolarHBondContact O-N 2.57Å; L440-C443 PolarHBondContact O-N 3.42Å; C443-R445 PolarHBondContact O-N 3.45Å; C443-Q446 WeakPolarHBondContact O-CB 3.36Å; C443-Q446 PolarHBondContact O-N 3.12Å; C443-Q446 VanDerWaalsContact O-N 3.1Å; C443-M447 WeakPolarHBondContact O-CG 3.26Å; C443-M447 PolarHBondContact O-N 3.41Å; C443-M447 WeakPolarHBondContact SG-CE 3.33Å
444	H	94.7	Very high	93.1	Very high	24 Å²	24	40.7 Å²	40.7	11%	0.111	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-47.1	178.8	-177.1	-125.6	0	0	0	113.1	I314 L440 Q446 M447 Q448 L535	I314-H444 HydrophobicContact CG2-CB 4.11Å; I314-H444 WeakPolarHBondContact CG2-ND1 3.35Å; L440-H444 WeakPolarHBondContact O-CB 3.5Å; L440-H444 PolarHBondContact O-N 2.61Å; H444-Q446 VanDerWaalsContact C-N 3.25Å; H444-Q446 PolarHBondContact O-N 3.24Å; H444-M447 WeakPolarHBondContact O-CB 3.4Å; H444-M447 PolarHBondContact O-N 3.26Å; H444-Q448 VanDerWaalsContact CE1-CD 3.46Å; H444-Q448 PolarHBondContact CE1-NE2 2.89Å; H444-Q448 PolarHBondContact NE2-NE2 3.41Å; H444-Q448 WeakPolarHBondContact O-CG 3.11Å; H444-Q448 PolarHBondContact O-N 3.02Å; H444-L535 HydrophobicContact CB-CD1 4.21Å
445	R	93	Very high	92.3	Very high	144 Å²	144	41.2 Å²	41.2	54%	0.543	20%	0.202	S	C	.	.	H	α-helix	trans	-60.3	-36.5	175.1	-73.4	179.4	-63.7	-134.7	-1.8	112.3	R441 Q442 C443 Q449	R441-R445 WeakPolarHBondContact O-CG 3.25Å; R441-R445 PolarHBondContact O-N 2.69Å; R441-R445 PolarHBondContact O-NE 2.96Å; Q442-R445 PolarHBondContact O-N 2.81Å; C443-R445 PolarHBondContact O-N 3.45Å; R445-Q449 WeakPolarHBondContact O-CB 3.49Å; R445-Q449 PolarHBondContact O-N 3.04Å
446	Q	91.3	Very high	91.6	Very high	30 Å²	30	42.6 Å²	42.6	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-70.7	-39.5	177.7	-174.9	170.1	-14.4	0	0	111.9	Q442 C443 H444 Q449 Q450 L498	Q442-Q446 WeakPolarHBondContact O-CB 3.48Å; Q442-Q446 PolarHBondContact O-N 3.04Å; C443-Q446 WeakPolarHBondContact O-CB 3.36Å; C443-Q446 PolarHBondContact O-N 3.12Å; C443-Q446 VanDerWaalsContact O-N 3.1Å; H444-Q446 VanDerWaalsContact C-N 3.25Å; H444-Q446 PolarHBondContact O-N 3.24Å; Q446-Q449 PolarHBondContact O-N 3.18Å; Q446-Q450 HydrophobicContact CG-CG 4.35Å; Q446-Q450 WeakPolarHBondContact O-CB 3.45Å; Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.21Å; Q446-L498 HydrophobicContact CB-CD1 4.3Å; Q446-L498 HydrophobicContact CG-CD1 3.89Å; Q446-L498 HydrophobicContact CG-CD2 4.38Å
447	M	92.7	Very high	90.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-52.9	172.1	-69.1	161.3	166.3	0	0	111.1	C443 H444 Q449 Q450 A451 L498 C499 A532 L536	C443-M447 WeakPolarHBondContact O-CG 3.26Å; C443-M447 PolarHBondContact O-N 3.41Å; C443-M447 WeakPolarHBondContact SG-CE 3.33Å; H444-M447 WeakPolarHBondContact O-CB 3.4Å; H444-M447 PolarHBondContact O-N 3.26Å; M447-Q449 VanDerWaalsContact C-N 3.32Å; M447-Q449 PolarHBondContact O-N 2.75Å; M447-Q450 PolarHBondContact O-N 3.45Å; M447-A451 WeakPolarHBondContact O-CB 3.45Å; M447-A451 PolarHBondContact O-N 3.13Å; M447-L498 HydrophobicContact CE-CB 4.23Å; M447-L498 HydrophobicContact CG-CD1 3.81Å; M447-C499 WeakPolarHBondContact CE-SG 3.3Å; M447-A532 HydrophobicContact CE-CB 4.44Å; M447-L536 HydrophobicContact CE-CB 3.89Å; M447-L536 HydrophobicContact CG-CD1 4.46Å; M447-L536 HydrophobicContact SD-CB 4.15Å
448	Q	92.3	Very high	90	Very high	93 Å²	93	44 Å²	44	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-56.8	-44.4	178.3	-70	177.8	-41.3	0	0	111.9	H444 A452 V539	H444-Q448 VanDerWaalsContact CE1-CD 3.46Å; H444-Q448 PolarHBondContact CE1-NE2 2.89Å; H444-Q448 PolarHBondContact NE2-NE2 3.41Å; H444-Q448 WeakPolarHBondContact O-CG 3.11Å; H444-Q448 PolarHBondContact O-N 3.02Å; Q448-A452 WeakPolarHBondContact O-CB 3.31Å; Q448-A452 PolarHBondContact O-N 3.43Å; Q448-V539 HydrophobicContact CG-CG2 3.83Å
449	Q	90.5	Very high	89.1	Confident	120 Å²	120	46.4 Å²	46.4	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-66.8	-45.7	179	-177.6	59.1	76.5	0	0	112.4	R445 Q446 M447 A452 T453	R445-Q449 WeakPolarHBondContact O-CB 3.49Å; R445-Q449 PolarHBondContact O-N 3.04Å; Q446-Q449 PolarHBondContact O-N 3.18Å; M447-Q449 VanDerWaalsContact C-N 3.32Å; M447-Q449 PolarHBondContact O-N 2.75Å; Q449-A452 PolarHBondContact O-N 3.44Å; Q449-T453 PolarHBondContact NE2-OG1 2.93Å; Q449-T453 WeakPolarHBondContact O-CB 3.3Å; Q449-T453 PolarHBondContact O-N 3.27Å; Q449-T453 PolarHBondContact O-OG1 2.94Å
450	Q	88.9	Confident	88.2	Confident	45 Å²	45	46.9 Å²	46.9	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-39.6	179	-73.8	-175.6	-3.4	0	0	111.5	Q446 M447 T453 A454 I490 L495	Q446-Q450 HydrophobicContact CG-CG 4.35Å; Q446-Q450 WeakPolarHBondContact O-CB 3.45Å; Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.21Å; M447-Q450 PolarHBondContact O-N 3.45Å; Q450-T453 PolarHBondContact O-N 3.23Å; Q450-A454 WeakPolarHBondContact O-CB 3.48Å; Q450-A454 PolarHBondContact O-N 3.46Å; Q450-I490 HydrophobicContact CB-CD1 4.35Å; Q450-I490 HydrophobicContact CB-CG2 4.38Å; Q450-L495 HydrophobicContact CB-CD2 3.49Å; Q450-L495 VanDerWaalsContact CB-CD2 3.49Å
451	A	88	Confident	87.2	Confident	5 Å²	5	50 Å²	50	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-52.7	172.2	0	0	0	0	0	112	M447 T453 A454 Q455 V539 M543	M447-A451 WeakPolarHBondContact O-CB 3.45Å; M447-A451 PolarHBondContact O-N 3.13Å; A451-T453 VanDerWaalsContact C-N 3.34Å; A451-T453 PolarHBondContact O-N 2.76Å; A451-A454 WeakPolarHBondContact O-CB 3.19Å; A451-A454 PolarHBondContact O-N 3.38Å; A451-Q455 WeakPolarHBondContact O-CB 3.43Å; A451-Q455 PolarHBondContact O-N 2.98Å; A451-V539 HydrophobicContact CB-CG1 3.63Å; A451-M543 HydrophobicContact CB-CE 3.36Å
452	A	87.3	Confident	86.1	Confident	52 Å²	52	49.8 Å²	49.8	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-39.4	178.7	0	0	0	0	0	112.3	Q448 Q449 A456	Q448-A452 WeakPolarHBondContact O-CB 3.31Å; Q448-A452 PolarHBondContact O-N 3.43Å; Q449-A452 PolarHBondContact O-N 3.44Å; A452-A456 VanDerWaalsContact O-CB 3.32Å; A452-A456 WeakPolarHBondContact O-CB 3.32Å; A452-A456 PolarHBondContact O-N 2.91Å
453	T	85.9	Confident	85.2	Confident	59 Å²	59	51.5 Å²	51.5	36%	0.362	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-41.7	175.4	-64.5	0	0	0	0	112.1	Q449 Q450 A451 A456 A457 A487 I490	Q449-T453 PolarHBondContact NE2-OG1 2.93Å; Q449-T453 WeakPolarHBondContact O-CB 3.3Å; Q449-T453 PolarHBondContact O-N 3.27Å; Q449-T453 PolarHBondContact O-OG1 2.94Å; Q450-T453 PolarHBondContact O-N 3.23Å; A451-T453 VanDerWaalsContact C-N 3.34Å; A451-T453 PolarHBondContact O-N 2.76Å; T453-A456 PolarHBondContact O-N 3.17Å; T453-A457 WeakPolarHBondContact O-CB 3.21Å; T453-A457 PolarHBondContact O-N 3.19Å; T453-A487 HydrophobicContact CG2-CB 4.26Å; T453-I490 HydrophobicContact CG2-CD1 4.44Å
454	A	83.5	Confident	84	Confident	14 Å²	14	54 Å²	54	12%	0.116	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-46.8	176	0	0	0	0	0	111.6	Q450 A451 A457 A458 I490	Q450-A454 WeakPolarHBondContact O-CB 3.48Å; Q450-A454 PolarHBondContact O-N 3.46Å; A451-A454 WeakPolarHBondContact O-CB 3.19Å; A451-A454 PolarHBondContact O-N 3.38Å; A454-A457 PolarHBondContact O-N 3.37Å; A454-A458 WeakPolarHBondContact O-CB 3.44Å; A454-A458 PolarHBondContact O-N 2.97Å; A454-I490 HydrophobicContact CB-CB 3.86Å; A454-I490 HydrophobicContact CB-CD1 4.38Å; A454-I490 HydrophobicContact CB-CG2 4.24Å
455	Q	81.7	Confident	82.7	Confident	88 Å²	88	59.2 Å²	59.2	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-44.4	178.4	-172.1	-169	-32	0	0	112	A451 A457 A458 A459 P544	A451-Q455 WeakPolarHBondContact O-CB 3.43Å; A451-Q455 PolarHBondContact O-N 2.98Å; Q455-A457 VanDerWaalsContact C-N 3.29Å; Q455-A457 PolarHBondContact O-N 3.43Å; Q455-A458 PolarHBondContact O-N 3.32Å; Q455-A459 WeakPolarHBondContact O-CB 3.41Å; Q455-A459 PolarHBondContact O-N 3.03Å; Q455-P544 VanDerWaalsContact NE2-CD 3.3Å
456	A	83.1	Confident	81.4	Confident	63 Å²	63	54.4 Å²	54.4	52%	0.521	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-37.7	176.4	0	0	0	0	0	112	A452 T453 A460	A452-A456 VanDerWaalsContact O-CB 3.32Å; A452-A456 WeakPolarHBondContact O-CB 3.32Å; A452-A456 PolarHBondContact O-N 2.91Å; T453-A456 PolarHBondContact O-N 3.17Å; A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.34Å; A456-A460 PolarHBondContact O-N 3.22Å
457	A	80.9	Confident	79.7	Confident	6 Å²	6	56 Å²	56	5%	0.05	38%	0.378	C	S	.	.	H	α-helix	trans	-68.5	-44	175.8	0	0	0	0	0	112.5	T453 A454 Q455 A460 Q461 A487 A488	T453-A457 WeakPolarHBondContact O-CB 3.21Å; T453-A457 PolarHBondContact O-N 3.19Å; A454-A457 PolarHBondContact O-N 3.37Å; Q455-A457 VanDerWaalsContact C-N 3.29Å; Q455-A457 PolarHBondContact O-N 3.43Å; A457-A460 PolarHBondContact O-N 3.43Å; A457-Q461 WeakPolarHBondContact O-CB 3.28Å; A457-Q461 WeakPolarHBondContact O-CG 3.43Å; A457-Q461 PolarHBondContact O-N 2.94Å; A457-A487 HydrophobicContact CB-CB 3.39Å; A457-A487 WeakPolarHBondContact CB-O 3.25Å; A457-A488 HydrophobicContact CB-CB 4.14Å
458	A	80.3	Confident	77.9	Confident	53 Å²	53	62 Å²	62	44%	0.438	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-44.1	175.1	0	0	0	0	0	111.6	A454 Q455 Q461 A462	A454-A458 WeakPolarHBondContact O-CB 3.44Å; A454-A458 PolarHBondContact O-N 2.97Å; Q455-A458 PolarHBondContact O-N 3.32Å; A458-Q461 PolarHBondContact O-N 2.92Å; A458-A462 WeakPolarHBondContact O-CB 3.4Å; A458-A462 PolarHBondContact O-N 3.07Å
459	A	79.8	Confident	75.9	Confident	60 Å²	60	63.7 Å²	63.7	50%	0.496	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-42.9	175.5	0	0	0	0	0	112.3	Q455 Q461 A462 A463	Q455-A459 WeakPolarHBondContact O-CB 3.41Å; Q455-A459 PolarHBondContact O-N 3.03Å; A459-Q461 VanDerWaalsContact C-N 3.34Å; A459-Q461 PolarHBondContact O-N 2.89Å; A459-A462 PolarHBondContact O-N 2.81Å; A459-A463 WeakPolarHBondContact O-CB 3.45Å; A459-A463 PolarHBondContact O-N 3.42Å
460	A	78.4	Confident	73.7	Confident	38 Å²	38	64 Å²	64	31%	0.314	43%	0.433	S	S	.	.	H	α-helix	trans	-66	-35.1	176.7	0	0	0	0	0	112.7	A456 A457 A464 L484	A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.34Å; A456-A460 PolarHBondContact O-N 3.22Å; A457-A460 PolarHBondContact O-N 3.43Å; A460-A464 WeakPolarHBondContact O-CB 3.39Å; A460-A464 PolarHBondContact O-N 3.37Å; A460-L484 HydrophobicContact CB-CD2 3.63Å
461	Q	76.3	Confident	71.7	Confident	70 Å²	70	63.9 Å²	63.9	33%	0.327	44%	0.444	S	S	.	.	H	α-helix	trans	-67.3	-44.7	171.9	-73.4	-176.7	-1.8	0	0	111.9	A457 A458 A459 A463 A464 V465 L484 A488	A457-Q461 WeakPolarHBondContact O-CB 3.28Å; A457-Q461 WeakPolarHBondContact O-CG 3.43Å; A457-Q461 PolarHBondContact O-N 2.94Å; A458-Q461 PolarHBondContact O-N 2.92Å; A459-Q461 VanDerWaalsContact C-N 3.34Å; A459-Q461 PolarHBondContact O-N 2.89Å; Q461-A463 PolarHBondContact O-N 2.82Å; Q461-A464 PolarHBondContact O-N 3.3Å; Q461-V465 WeakPolarHBondContact O-CG2 3.42Å; Q461-V465 PolarHBondContact O-N 2.78Å; Q461-L484 PolarHBondContact NE2-O 3.37Å; Q461-A488 VanDerWaalsContact CD-CB 3.42Å; Q461-A488 VanDerWaalsContact OE1-CB 3.3Å
462	A	71.4	Confident	69.6	Low	62 Å²	62	70.9 Å²	70.9	51%	0.512	49%	0.489	S	S	.	.	H	α-helix	trans	-59.2	-46	175.3	0	0	0	0	0	111.8	A458 A459 A464 V465 A466	A458-A462 WeakPolarHBondContact O-CB 3.4Å; A458-A462 PolarHBondContact O-N 3.07Å; A459-A462 PolarHBondContact O-N 2.81Å; A462-A464 PolarHBondContact O-N 3.03Å; A462-V465 PolarHBondContact O-N 2.99Å; A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 3Å
463	A	73.2	Confident	67.6	Low	48 Å²	48	71.4 Å²	71.4	40%	0.397	50%	0.499	S	S	.	.	H	α-helix	trans	-63.7	-37.7	176.9	0	0	0	0	0	113	A459 Q461 V465 A466 G467	A459-A463 WeakPolarHBondContact O-CB 3.45Å; A459-A463 PolarHBondContact O-N 3.42Å; Q461-A463 PolarHBondContact O-N 2.82Å; A463-V465 VanDerWaalsContact C-N 3.35Å; A463-A466 PolarHBondContact O-N 3.46Å; A463-G467 PolarHBondContact O-N 3.22Å
464	A	70	Confident	65.8	Low	59 Å²	59	74.2 Å²	74.2	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-66	-35.6	175.1	0	0	0	0	0	112.5	A460 Q461 A462	A460-A464 WeakPolarHBondContact O-CB 3.39Å; A460-A464 PolarHBondContact O-N 3.37Å; Q461-A464 PolarHBondContact O-N 3.3Å; A462-A464 PolarHBondContact O-N 3.03Å
465	V	68.9	Low	63.7	Low	134 Å²	134	79.7 Å²	79.7	81%	0.812	55%	0.553	S	S	*	*	H	α-helix	trans	-72.7	-34.2	173.7	174	0	0	0	0	111.6	Q461 A462 A463 G467	Q461-V465 WeakPolarHBondContact O-CG2 3.42Å; Q461-V465 PolarHBondContact O-N 2.78Å; A462-V465 PolarHBondContact O-N 2.99Å; A463-V465 VanDerWaalsContact C-N 3.35Å; V465-G467 PolarHBondContact O-N 2.87Å
466	A	64.4	Low	62.1	Low	43 Å²	43	79.6 Å²	79.6	36%	0.355	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-7	175.8	0	0	0	0	0	114.5	A462 A463 N468 L551	A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 3Å; A463-A466 PolarHBondContact O-N 3.46Å; A466-N468 VanDerWaalsContact C-N 3.26Å; A466-N468 PolarHBondContact O-N 3.26Å; A466-L551 HydrophobicContact CB-CD2 3.67Å
467	G	56.8	Low	60	Low	64 Å²	64	79.5 Å²	79.5	66%	0.66	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.8	7.9	175	0	0	0	0	0	116	A463 V465 I469	A463-G467 PolarHBondContact O-N 3.22Å; V465-G467 PolarHBondContact O-N 2.87Å; G467-I469 PolarHBondContact O-N 3.4Å
468	N	53.3	Low	58.3	Low	126 Å²	126	87.4 Å²	87.4	67%	0.674	62%	0.62	S	S	*	*			trans	-100.6	79.8	-168.2	-152.8	-0.9	0	0	0	112.2	A466	A466-N468 VanDerWaalsContact C-N 3.26Å; A466-N468 PolarHBondContact O-N 3.26Å
469	I	51.4	Low	56.3	Low	128 Å²	128	88.3 Å²	88.3	66%	0.656	63%	0.628	S	S	*	*			trans	-106	112.1	171.2	-57.3	179	0	0	0	109.3	G467 G471	G467-I469 PolarHBondContact O-N 3.4Å; I469-G471 PolarHBondContact O-N 3.42Å
470	P	44.1	Very low	54.3	Low	127 Å²	127	90.3 Å²	90.3	83%	0.825	64%	0.636	S	S	*	*			trans	-72.7	111.1	176.3	-15	29.9	0	0	0	111.2
471	G	47	Very low	52.7	Low	42 Å²	42	92.3 Å²	92.3	43%	0.433	65%	0.652	S	S	.	*			trans	-167.5	140.3	173.7	0	0	0	0	0	113	I469 G473	I469-G471 PolarHBondContact O-N 3.42Å; G471-G473 PolarHBondContact O-N 3.38Å
472	P	44.1	Very low	51.1	Low	153 Å²	153	95.9 Å²	95.9	99%	0.994	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	66.4	178.2	33.6	-35.6	0	0	0	110.8
473	G	45	Very low	49.6	Very low	63 Å²	63	98.5 Å²	98.5	65%	0.649	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.6	25.1	-176	0	0	0	0	0	112.7	G471 V475	G471-G473 PolarHBondContact O-N 3.38Å; G473-V475 VanDerWaalsContact C-N 3.28Å; G473-V475 PolarHBondContact O-N 3.07Å
474	S	47.1	Very low	48	Very low	117 Å²	117	99.7 Å²	99.7	82%	0.818	69%	0.686	S	S	*	*			trans	-71.2	82.3	-178.4	-167.7	0	0	0	0	111.4
475	V	40.5	Very low	46.6	Very low	129 Å²	129	100.9 Å²	100.9	78%	0.782	69%	0.691	S	S	*	*			trans	-94.8	119.4	151.6	-74.6	0	0	0	0	106.9	G473 G477	G473-V475 VanDerWaalsContact C-N 3.28Å; G473-V475 PolarHBondContact O-N 3.07Å; V475-G477 PolarHBondContact O-N 3.44Å
476	G	47.5	Very low	45.3	Very low	86 Å²	86	99 Å²	99	89%	0.887	69%	0.689	S	S	*	*			trans	-63	120.5	-177.4	0	0	0	0	0	111.4
477	G	39.7	Very low	44.2	Very low	61 Å²	61	98.4 Å²	98.4	63%	0.629	69%	0.685	S	S	*	*			trans	158.6	119.1	172.8	0	0	0	0	0	115.5	V475 A479	V475-G477 PolarHBondContact O-N 3.44Å; G477-A479 PolarHBondContact O-N 2.8Å
478	I	43.9	Very low	43.5	Very low	172 Å²	172	97.2 Å²	97.2	88%	0.882	67%	0.668	S	S	*	*			trans	49.1	61.6	142.3	-30.1	175.2	0	0	0	116
479	A	38.9	Very low	43.2	Very low	73 Å²	73	93.8 Å²	93.8	60%	0.603	66%	0.663	S	S	*	*			trans	-64.5	132.2	158.1	0	0	0	0	0	109.2	G477 A481	G477-A479 PolarHBondContact O-N 2.8Å; A479-A481 PolarHBondContact O-N 3.34Å
480	P	39	Very low	43.4	Very low	102 Å²	102	89.9 Å²	89.9	66%	0.662	64%	0.643	S	S	*	*			trans	-70.7	106.2	-176.4	26.7	-33.2	0	0	0	110.9	I482	P480-I482 HydrophobicContact CB-CD1 3.98Å; P480-I482 HydrophobicContact CB-CG1 4.05Å; P480-I482 PolarHBondContact O-N 3.37Å
481	A	44.1	Very low	44.4	Very low	79 Å²	79	85.2 Å²	85.2	65%	0.653	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	20.2	177.7	0	0	0	0	0	114.7	A479	A479-A481 PolarHBondContact O-N 3.34Å
482	I	42.4	Very low	45.9	Very low	145 Å²	145	87.2 Å²	87.2	74%	0.744	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-26.8	-167.5	-51.3	176	0	0	0	111.4	P480	P480-I482 HydrophobicContact CB-CD1 3.98Å; P480-I482 HydrophobicContact CB-CG1 4.05Å; P480-I482 PolarHBondContact O-N 3.37Å
483	S	39.6	Very low	47.6	Very low	117 Å²	117	85 Å²	85	82%	0.818	60%	0.601	S	S	*	*	S	Bend	trans	-98.6	-1.8	-178.7	-59.3	0	0	0	0	115.4
484	L	41.3	Very low	49.5	Very low	73 Å²	73	84.6 Å²	84.6	38%	0.382	58%	0.584	S	S	.	*	S	Bend	trans	-103.6	-10	-178	-83.1	160.7	0	0	0	114.1	A460 Q461	A460-L484 HydrophobicContact CB-CD2 3.63Å; Q461-L484 PolarHBondContact NE2-O 3.37Å
485	S	40.2	Very low	51.4	Low	84 Å²	84	79.1 Å²	79.1	59%	0.587	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-36.6	-176.1	-172.6	0	0	0	0	113.3	A487	S485-A487 VanDerWaalsContact C-N 3.33Å; S485-A487 PolarHBondContact O-N 3.37Å
486	A	42	Very low	53.9	Low	94 Å²	94	78 Å²	78	78%	0.777	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.8	-172.1	0	0	0	0	0	114.8
487	A	40.4	Very low	56.1	Low	32 Å²	32	79.8 Å²	79.8	26%	0.264	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-18.6	-173	0	0	0	0	0	114	T453 A457 S485 G489	T453-A487 HydrophobicContact CG2-CB 4.26Å; A457-A487 HydrophobicContact CB-CB 3.39Å; A457-A487 WeakPolarHBondContact CB-O 3.25Å; S485-A487 VanDerWaalsContact C-N 3.33Å; S485-A487 PolarHBondContact O-N 3.37Å; A487-G489 VanDerWaalsContact C-N 3.27Å
488	A	42.7	Very low	58.6	Low	38 Å²	38	77.3 Å²	77.3	31%	0.314	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.6	173.3	0	0	0	0	0	113.2	A457 Q461	A457-A488 HydrophobicContact CB-CB 4.14Å; Q461-A488 VanDerWaalsContact CD-CB 3.42Å; Q461-A488 VanDerWaalsContact OE1-CB 3.3Å
489	G	45.7	Very low	61.2	Low	54 Å²	54	69.1 Å²	69.1	56%	0.557	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	0.5	177.9	0	0	0	0	0	115	A487 G491	A487-G489 VanDerWaalsContact C-N 3.27Å; G489-G491 PolarHBondContact O-N 3.44Å; G489-G491 VanDerWaalsContact O-N 3.16Å
490	I	55.3	Low	63.9	Low	46 Å²	46	66.8 Å²	66.8	24%	0.236	42%	0.415	C	S	.	.			trans	-79.1	97	178.1	-57.6	175.3	0	0	0	108.3	Q450 T453 A454 D494 L495	Q450-I490 HydrophobicContact CB-CD1 4.35Å; Q450-I490 HydrophobicContact CB-CG2 4.38Å; T453-I490 HydrophobicContact CG2-CD1 4.44Å; A454-I490 HydrophobicContact CB-CB 3.86Å; A454-I490 HydrophobicContact CB-CD1 4.38Å; A454-I490 HydrophobicContact CB-CG2 4.24Å; I490-D494 HydrophobicContact CG2-CB 4.43Å; I490-L495 HydrophobicContact CG2-CD2 4.24Å; I490-L495 HydrophobicContact CG2-CG 4.22Å
491	G	66.8	Low	66.8	Low	29 Å²	29	62.3 Å²	62.3	30%	0.299	39%	0.385	S	S	.	.			trans	-78.9	166	174.4	0	0	0	0	0	112.5	G489 D493 D494 L495	G489-G491 PolarHBondContact O-N 3.44Å; G489-G491 VanDerWaalsContact O-N 3.16Å; G491-D493 PolarHBondContact O-N 3.45Å; G491-D494 PolarHBondContact N-OD2 3.3Å; G491-D494 PolarHBondContact O-N 3Å; G491-L495 PolarHBondContact O-N 3Å
492	V	78.3	Confident	69.4	Low	84 Å²	84	61.7 Å²	61.7	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-53.1	-34.5	166.9	174.9	0	0	0	0	110.9	D494 L495 R496 L540	V492-D494 VanDerWaalsContact C-N 3.34Å; V492-D494 PolarHBondContact O-N 3.47Å; V492-L495 PolarHBondContact O-N 2.92Å; V492-R496 WeakPolarHBondContact O-CB 3.34Å; V492-R496 PolarHBondContact O-N 3.14Å; V492-L540 HydrophobicContact CG1-CD1 3.82Å; V492-L540 HydrophobicContact CG2-CD1 4.38Å; V492-L540 HydrophobicContact CG2-CD2 4.02Å
493	D	79.5	Confident	72	Confident	107 Å²	107	55 Å²	55	57%	0.572	33%	0.332	S	S	*	.	H	α-helix	trans	-63.8	-31.6	175.7	-69.6	-59.2	0	0	0	114	G491 R497	G491-D493 PolarHBondContact O-N 3.45Å; D493-R497 VanDerWaalsContact O-CG 3.31Å; D493-R497 WeakPolarHBondContact O-CG 3.45Å; D493-R497 PolarHBondContact O-N 3.1Å
494	D	83.8	Confident	74.9	Confident	54 Å²	54	49.4 Å²	49.4	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-76.5	-39.6	178.2	-62.4	-58.9	0	0	0	111.2	I490 G491 V492 R496 R497	I490-D494 HydrophobicContact CG2-CB 4.43Å; G491-D494 PolarHBondContact N-OD2 3.3Å; G491-D494 PolarHBondContact O-N 3Å; V492-D494 VanDerWaalsContact C-N 3.34Å; V492-D494 PolarHBondContact O-N 3.47Å; D494-R496 VanDerWaalsContact C-N 3.33Å; D494-R497 WeakPolarHBondContact O-CB 3.35Å; D494-R497 PolarHBondContact O-N 2.89Å; D494-R497 IonicContact OD1-CZ 3.22Å; D494-R497 IonicContact OD1-NE 3.79Å; D494-R497 IonicContact OD1-NH1 3.13Å; D494-R497 IonicContact OD1-NH2 3.15Å
495	L	88.8	Confident	77.6	Confident	3 Å²	3	46 Å²	46	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-40.7	170.3	-61.5	173.3	0	0	0	111.3	Q450 I490 G491 V492 R497 L498 L536 L540	Q450-L495 HydrophobicContact CB-CD2 3.49Å; Q450-L495 VanDerWaalsContact CB-CD2 3.49Å; I490-L495 HydrophobicContact CG2-CD2 4.24Å; I490-L495 HydrophobicContact CG2-CG 4.22Å; G491-L495 PolarHBondContact O-N 3Å; V492-L495 PolarHBondContact O-N 2.92Å; L495-R497 VanDerWaalsContact C-N 3.27Å; L495-R497 PolarHBondContact O-N 2.62Å; L495-L498 VanDerWaalsContact O-CB 3.29Å; L495-L498 WeakPolarHBondContact O-CB 3.45Å; L495-L498 WeakPolarHBondContact O-CG 3.12Å; L495-L498 PolarHBondContact O-N 3.05Å; L495-L498 VanDerWaalsContact O-N 3.11Å; L495-L536 HydrophobicContact CB-CD1 3.54Å; L495-L536 HydrophobicContact CB-CD2 4.21Å; L495-L536 HydrophobicContact CD1-CD1 4.02Å; L495-L536 HydrophobicContact CG-CD1 4.35Å; L495-L540 HydrophobicContact CD1-CD2 4.03Å
496	R	92.3	Very high	80.3	Confident	106 Å²	106	42.9 Å²	42.9	40%	0.4	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-35.6	176.5	-175.3	-174.3	173.1	113.3	1.4	112.2	V492 D494 L498 C499 I500 H528 L533 L536	V492-R496 WeakPolarHBondContact O-CB 3.34Å; V492-R496 PolarHBondContact O-N 3.14Å; D494-R496 VanDerWaalsContact C-N 3.33Å; R496-L498 PolarHBondContact O-N 2.92Å; R496-C499 VanDerWaalsContact O-CB 3.29Å; R496-C499 WeakPolarHBondContact O-CB 3.44Å; R496-C499 PolarHBondContact O-N 3.02Å; R496-I500 HydrophobicContact CG-CD1 4.14Å; R496-H528 PolarHBondContact NH2-CD2 3.34Å; R496-H528 VanDerWaalsContact NH2-CD2 3.3Å; R496-H528 PolarHBondContact NH2-NE2 3.33Å; R496-L533 HydrophobicContact CG-CD2 4.12Å; R496-L536 HydrophobicContact CB-CD2 4.14Å
497	R	92.8	Very high	82.9	Confident	123 Å²	123	42.8 Å²	42.8	46%	0.464	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-28.1	177.2	-71	167	-162	-161	10.1	112.8	Y412 D493 D494 L495 C499 I500	Y412-R497 HydrophobicContact CE2-CB 3.77Å; Y412-R497 WeakPolarHBondContact CE2-O 3.39Å; D493-R497 VanDerWaalsContact O-CG 3.31Å; D493-R497 WeakPolarHBondContact O-CG 3.45Å; D493-R497 PolarHBondContact O-N 3.1Å; D494-R497 WeakPolarHBondContact O-CB 3.35Å; D494-R497 PolarHBondContact O-N 2.89Å; D494-R497 IonicContact OD1-CZ 3.22Å; D494-R497 IonicContact OD1-NE 3.79Å; D494-R497 IonicContact OD1-NH1 3.13Å; D494-R497 IonicContact OD1-NH2 3.15Å; L495-R497 VanDerWaalsContact C-N 3.27Å; L495-R497 PolarHBondContact O-N 2.62Å; R497-C499 PolarHBondContact O-N 3.33Å; R497-I500 PolarHBondContact O-N 3.2Å; R497-I500 VanDerWaalsContact O-N 3.14Å
498	L	93.7	Very high	85.6	Confident	9 Å²	9	41.3 Å²	41.3	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-27.2	173.5	-54.9	177.7	0	0	0	112.2	Y412 F438 Q446 M447 L495 R496 I500	Y412-L498 HydrophobicContact CD1-CD2 4.39Å; Y412-L498 HydrophobicContact CD2-CD2 4.02Å; Y412-L498 HydrophobicContact CG-CD2 3.93Å; F438-L498 WeakPolarHBondContact CE2-O 3.36Å; Q446-L498 HydrophobicContact CB-CD1 4.3Å; Q446-L498 HydrophobicContact CG-CD1 3.89Å; Q446-L498 HydrophobicContact CG-CD2 4.38Å; M447-L498 HydrophobicContact CE-CB 4.23Å; M447-L498 HydrophobicContact CG-CD1 3.81Å; L495-L498 VanDerWaalsContact O-CB 3.29Å; L495-L498 WeakPolarHBondContact O-CB 3.45Å; L495-L498 WeakPolarHBondContact O-CG 3.12Å; L495-L498 PolarHBondContact O-N 3.05Å; L495-L498 VanDerWaalsContact O-N 3.11Å; R496-L498 PolarHBondContact O-N 2.92Å; L498-I500 VanDerWaalsContact C-N 3.3Å; L498-I500 PolarHBondContact O-N 2.79Å
499	C	96.9	Very high	88.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.7	178.3	-48.4	0	0	0	0	114	M447 R496 R497 L529 A532 L533	M447-C499 WeakPolarHBondContact CE-SG 3.3Å; R496-C499 VanDerWaalsContact O-CB 3.29Å; R496-C499 WeakPolarHBondContact O-CB 3.44Å; R496-C499 PolarHBondContact O-N 3.02Å; R497-C499 PolarHBondContact O-N 3.33Å; C499-L529 WeakPolarHBondContact O-CB 3.32Å; C499-L529 PolarHBondContact O-N 2.9Å; C499-A532 HydrophobicContact CB-CB 4.01Å; C499-L533 HydrophobicContact CB-CD2 3.64Å; C499-L533 HydrophobicContact CB-CG 3.75Å
500	I	97.6	Very high	90.4	Very high	23 Å²	23	38 Å²	38	12%	0.118	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.9	-167.8	-62.2	172.8	0	0	0	109.8	R496 R497 L498 R502 E526 I527	R496-I500 HydrophobicContact CG-CD1 4.14Å; R497-I500 PolarHBondContact O-N 3.2Å; R497-I500 VanDerWaalsContact O-N 3.14Å; L498-I500 VanDerWaalsContact C-N 3.3Å; L498-I500 PolarHBondContact O-N 2.79Å; I500-R502 HydrophobicContact CG2-CG 4.22Å; I500-E526 HydrophobicContact CG2-CG 3.54Å; I500-I527 WeakPolarHBondContact CA-O 3.32Å
501	L	98.3	Very high	92	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	144.8	165.9	-63.6	167.7	0	0	0	109	V397 V437 F438 I527 L529	V397-L501 HydrophobicContact CB-CD1 4.33Å; V397-L501 HydrophobicContact CG1-CD1 4.25Å; V437-L501 HydrophobicContact CG2-CD1 3.66Å; V437-L501 HydrophobicContact CG2-CD2 4.28Å; F438-L501 HydrophobicContact CB-CD1 4.27Å; F438-L501 HydrophobicContact CB-CD2 4.48Å; L501-I527 HydrophobicContact CB-CB 4.27Å; L501-I527 HydrophobicContact CB-CD1 4.18Å; L501-I527 PolarHBondContact N-O 2.93Å; L501-I527 PolarHBondContact O-N 3.22Å; L501-L529 HydrophobicContact CD1-CD1 4.13Å; L501-L529 HydrophobicContact CG-CD1 4.35Å
502	R	98.6	Very high	93.1	Very high	67 Å²	67	42.8 Å²	42.8	25%	0.253	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.2	171.4	-67.1	-176.7	173.8	147.4	0.6	110.6	V409 Q410 I500 I518 W524 I525 E526	V409-R502 CarbonylContact C-O 3.48Å; V409-R502 WeakPolarHBondContact CA-O 3.16Å; Q410-R502 HydrophobicContact CB-CB 4.06Å; Q410-R502 PolarHBondContact N-O 2.99Å; Q410-R502 PolarHBondContact O-N 3.43Å; I500-R502 HydrophobicContact CG2-CG 4.22Å; R502-I518 HydrophobicContact CB-CD1 3.76Å; R502-W524 HydrophobicContact CG-CZ3 4.17Å; R502-I525 WeakPolarHBondContact CA-O 3.47Å; R502-E526 HydrophobicContact CG-CB 4.49Å; R502-E526 HydrophobicContact CG-CG 4.13Å; R502-E526 IonicContact CZ-OE2 2.72Å; R502-E526 IonicContact NE-OE2 2.74Å; R502-E526 PolarHBondContact NE-OE2 2.95Å; R502-E526 IonicContact NH2-OE2 3.93Å; R502-E526 PolarHBondContact NH2-OE2 2.58Å
503	M	98.5	Very high	93.8	Very high	4 Å²	4	41 Å²	41	2%	0.02	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	123.6	-174.1	153.8	161.4	30.5	0	0	111.2	V387 L389 V407 F408 V409 F505 W524 I525 I527	V387-M503 HydrophobicContact CB-SD 4.32Å; V387-M503 HydrophobicContact CG1-SD 3.77Å; V387-M503 HydrophobicContact CG2-CE 3.95Å; V387-M503 HydrophobicContact CG2-SD 3.86Å; L389-M503 HydrophobicContact CD2-CE 3.73Å; V407-M503 HydrophobicContact CB-CG 4.39Å; V407-M503 HydrophobicContact CB-SD 4.1Å; V407-M503 HydrophobicContact CG1-SD 4.37Å; V407-M503 HydrophobicContact CG2-SD 4.03Å; F408-M503 CarbonylContact O-C 3.54Å; F408-M503 VanDerWaalsContact O-CA 3.29Å; F408-M503 WeakPolarHBondContact O-CA 3.44Å; V409-M503 HydrophobicContact CG2-CB 4.28Å; M503-F505 HydrophobicContact SD-CE1 4.48Å; M503-W524 CarbonylContact O-C 3.46Å; M503-W524 VanDerWaalsContact O-CA 3.25Å; M503-W524 WeakPolarHBondContact O-CA 3.44Å; M503-W524 VanDerWaalsContact O-CB 3.26Å; M503-W524 WeakPolarHBondContact O-CB 3.4Å; M503-I525 HydrophobicContact CB-CG1 4.02Å; M503-I525 HydrophobicContact CE-CD1 3.86Å; M503-I525 HydrophobicContact CE-CG1 4.41Å; M503-I525 HydrophobicContact CG-CD1 4.37Å; M503-I525 HydrophobicContact CG-CG1 4.03Å; M503-I525 PolarHBondContact N-O 3.43Å; M503-I525 PolarHBondContact O-N 2.74Å; M503-I525 HydrophobicContact SD-CD1 4.46Å; M503-I527 HydrophobicContact CB-CD1 4.47Å; M503-I527 HydrophobicContact CE-CD1 4.31Å
504	S	98.7	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138	170.6	-166.6	0	0	0	0	111.6	V407 F408 K507 T521 C523	V407-S504 WeakPolarHBondContact CA-O 3.38Å; F408-S504 PolarHBondContact N-O 2.86Å; F408-S504 PolarHBondContact O-N 2.84Å; S504-K507 PolarHBondContact OG-O 2.87Å; S504-T521 WeakPolarHBondContact OG-CB 3.49Å; S504-T521 WeakPolarHBondContact OG-CG2 3.41Å; S504-T521 PolarHBondContact OG-OG1 3.25Å; S504-C523 PolarHBondContact OG-O 2.97Å
505	F	98.5	Very high	95.1	Very high	2 Å²	2	41 Å²	41	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.4	174.8	-60.9	-81.8	0	0	0	110.1	V350 L364 I383 V387 V407 M503 K507 C523 I525	V350-F505 HydrophobicContact CG1-CZ 4.13Å; L364-F505 HydrophobicContact CD1-CE2 3.87Å; L364-F505 HydrophobicContact CD1-CZ 4.29Å; I383-F505 HydrophobicContact CD1-CD2 4.43Å; I383-F505 HydrophobicContact CG1-CB 3.95Å; I383-F505 HydrophobicContact CG1-CG 4.13Å; I383-F505 HydrophobicContact CG2-CD1 4.12Å; I383-F505 HydrophobicContact CG2-CE1 4.28Å; I383-F505 HydrophobicContact CG2-CG 4.42Å; V387-F505 HydrophobicContact CG1-CE1 4.15Å; V387-F505 HydrophobicContact CG2-CE1 4.02Å; V387-F505 HydrophobicContact CG2-CZ 4.26Å; V407-F505 HydrophobicContact CG1-CD1 3.81Å; V407-F505 HydrophobicContact CG1-CE1 4.35Å; M503-F505 HydrophobicContact SD-CE1 4.48Å; F505-K507 PolarHBondContact O-N 3.34Å; F505-C523 PolarHBondContact N-O 3.16Å; F505-C523 VanDerWaalsContact N-O 3.12Å; F505-I525 HydrophobicContact CE2-CD1 4.22Å; F505-I525 HydrophobicContact CE2-CG1 4Å; F505-I525 HydrophobicContact CE2-CG2 4.17Å; F505-I525 HydrophobicContact CZ-CD1 3.96Å; F505-I525 HydrophobicContact CZ-CG1 4.22Å
506	V	97.2	Very high	95.3	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.109	22%	0.222	C	C	.	.	S	Bend	trans	69.1	-34.6	168.2	-169.6	0	0	0	0	115.6	H382 H405 A406	H382-V506 HydrophobicContact CB-CB 4.48Å; H382-V506 HydrophobicContact CB-CG1 3.95Å; H382-V506 HydrophobicContact CB-CG2 3.62Å; H405-V506 HydrophobicContact CB-CG2 4.26Å; A406-V506 PolarHBondContact O-N 3.45Å
507	K	97.5	Very high	95.5	Very high	91 Å²	91	43.8 Å²	43.8	40%	0.396	22%	0.219	S	C	.	.			trans	-127.9	121.6	-172.9	-56.6	-59.4	177.3	-164.8	0	112.2	F408 S504 F505 P522	F408-K507 VanDerWaalsContact CD2-C 3.42Å; S504-K507 PolarHBondContact OG-O 2.87Å; F505-K507 PolarHBondContact O-N 3.34Å; K507-P522 HydrophobicContact CB-CG 4.39Å; K507-P522 HydrophobicContact CG-CG 3.88Å
508	G	95.8	Very high	95.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.198	C	C	.	.			trans	-75.4	165.4	170.5	0	0	0	0	0	113.7	F408 R515	F408-G508 VanDerWaalsContact CD2-N 3.32Å; F408-G508 VanDerWaalsContact CE2-N 3.28Å; F408-G508 VanDerWaalsContact CG-CA 3.44Å; G508-R515 PolarHBondContact O-NE 3.46Å; G508-R515 PolarHBondContact O-NH2 3.17Å
509	W	97.3	Very high	95.9	Very high	18 Å²	18	42.8 Å²	42.8	7%	0.068	22%	0.218	C	C	.	.			trans	-134	171.4	172.2	74.8	92.5	0	0	0	109.3	F408 Q410 V426 Y513 R515 I518 T521	F408-W509 HydrophobicContact CB-CE3 4.15Å; F408-W509 HydrophobicContact CB-CH2 4.33Å; F408-W509 HydrophobicContact CB-CZ3 3.58Å; F408-W509 WeakPolarHBondContact O-CH2 3.49Å; F408-W509 VanDerWaalsContact O-CZ3 3.29Å; F408-W509 WeakPolarHBondContact O-CZ3 3.5Å; Q410-W509 HydrophobicContact CB-CH2 4.35Å; Q410-W509 HydrophobicContact CB-CZ2 4Å; V426-W509 HydrophobicContact CB-CZ2 4.43Å; V426-W509 HydrophobicContact CG1-CD2 4.26Å; V426-W509 HydrophobicContact CG1-CE3 4.21Å; V426-W509 HydrophobicContact CG1-CH2 3.89Å; V426-W509 HydrophobicContact CG1-CZ2 3.91Å; V426-W509 HydrophobicContact CG1-CZ3 4.05Å; V426-W509 HydrophobicContact CG2-CD2 4.17Å; V426-W509 HydrophobicContact CG2-CG 4.47Å; V426-W509 HydrophobicContact CG2-CZ2 3.75Å; V426-W509 WeakPolarHBondContact CG2-O 3.49Å; W509-Y513 VanDerWaalsContact C-CD2 3.49Å; W509-Y513 WeakPolarHBondContact O-CD2 3.49Å; W509-R515 CarbonylContact C-O 3.58Å; W509-R515 VanDerWaalsContact CA-O 3.22Å; W509-R515 WeakPolarHBondContact CA-O 3.33Å; W509-R515 HydrophobicContact CB-CB 4.04Å; W509-R515 WeakPolarHBondContact CB-O 3.5Å; W509-I518 HydrophobicContact CD2-CB 3.78Å; W509-I518 HydrophobicContact CD2-CG1 4.09Å; W509-I518 HydrophobicContact CE3-CB 4Å; W509-I518 HydrophobicContact CE3-CD1 4.24Å; W509-I518 HydrophobicContact CE3-CG1 3.75Å; W509-I518 HydrophobicContact CG-CB 4.27Å; W509-I518 HydrophobicContact CH2-CB 4.39Å; W509-I518 HydrophobicContact CH2-CD1 3.69Å; W509-I518 HydrophobicContact CH2-CG1 4.09Å; W509-I518 HydrophobicContact CZ2-CB 4.2Å; W509-I518 HydrophobicContact CZ2-CD1 4.21Å; W509-I518 HydrophobicContact CZ2-CG1 4.4Å; W509-I518 HydrophobicContact CZ3-CB 4.28Å; W509-I518 HydrophobicContact CZ3-CD1 3.7Å; W509-I518 HydrophobicContact CZ3-CG1 3.73Å; W509-T521 HydrophobicContact CB-CG2 4.04Å; W509-T521 HydrophobicContact CE3-CG2 4.09Å
510	G	92.9	Very high	95.9	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	23%	0.234	C	C	.	.	S	Bend	trans	110.4	-177.7	-176.9	0	0	0	0	0	112.4	D512 Y513 R515	G510-D512 PolarHBondContact O-N 3.49Å; G510-D512 VanDerWaalsContact O-N 3.16Å; G510-Y513 PolarHBondContact O-N 3.21Å; G510-Y513 VanDerWaalsContact O-O 3.11Å; G510-R515 PolarHBondContact N-O 3Å
511	P	88.4	Confident	95.9	Very high	84 Å²	84	45.2 Å²	45.2	55%	0.545	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.5	-175.3	-26.7	35.7	0	0	0	114.5	H287 Y513	H287-P511 HydrophobicContact CB-CG 4.07Å; H287-P511 WeakPolarHBondContact ND1-CD 3.43Å; P511-Y513 PolarHBondContact O-N 3.15Å
512	D	90.1	Very high	95.9	Very high	92 Å²	92	45.4 Å²	45.4	49%	0.492	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	3.1	178.1	-58.9	-58.3	0	0	0	113.5	H287 L288 G510	H287-D512 WeakPolarHBondContact CB-OD2 3.38Å; H287-D512 PolarHBondContact N-OD2 3Å; L288-D512 HydrophobicContact CB-CB 4.33Å; L288-D512 WeakPolarHBondContact CB-OD2 3.48Å; L288-D512 PolarHBondContact N-OD2 3.47Å; G510-D512 PolarHBondContact O-N 3.49Å; G510-D512 VanDerWaalsContact O-N 3.16Å
513	Y	93.3	Very high	95.9	Very high	45 Å²	45	42.2 Å²	42.2	18%	0.176	22%	0.218	C	C	.	.	S	Bend	trans	-133.7	156.7	-173.7	-67.2	-78.8	0	0	0	112.7	L288 F408 W509 G510 P511 R515 Q516	L288-Y513 HydrophobicContact CD1-CE2 3.91Å; L288-Y513 WeakPolarHBondContact CD1-OH 3.25Å; L288-Y513 HydrophobicContact CD2-CE2 4.11Å; L288-Y513 WeakPolarHBondContact CD2-OH 3.49Å; L288-Y513 HydrophobicContact CG-CE2 4.42Å; F408-Y513 HydrophobicContact CE1-CE1 4.49Å; F408-Y513 AromaticContact CE1-CZ 3.87Å; F408-Y513 VanDerWaalsContact CE1-OH 3.23Å; F408-Y513 WeakPolarHBondContact CE1-OH 3.21Å; W509-Y513 VanDerWaalsContact C-CD2 3.49Å; W509-Y513 WeakPolarHBondContact O-CD2 3.49Å; G510-Y513 PolarHBondContact O-N 3.21Å; G510-Y513 VanDerWaalsContact O-O 3.11Å; P511-Y513 PolarHBondContact O-N 3.15Å; Y513-R515 PolarHBondContact O-N 3.24Å; Y513-R515 VanDerWaalsContact O-N 3.12Å; Y513-Q516 PolarHBondContact O-NE2 3.45Å
514	P	92.9	Very high	95.9	Very high	107 Å²	107	42.1 Å²	42.1	70%	0.695	22%	0.218	S	C	*	.	S	Bend	trans	-70.4	-2.8	173.4	30.9	-37.8	0	0	0	114
515	R	96.8	Very high	95.9	Very high	54 Å²	54	42.1 Å²	42.1	20%	0.204	22%	0.218	C	C	.	.			trans	-113.3	124.5	179.4	-74.2	166.4	-68.9	-72.5	-13.8	108.3	G508 W509 G510 Y513 E520	G508-R515 PolarHBondContact O-NE 3.46Å; G508-R515 PolarHBondContact O-NH2 3.17Å; W509-R515 CarbonylContact C-O 3.58Å; W509-R515 VanDerWaalsContact CA-O 3.22Å; W509-R515 WeakPolarHBondContact CA-O 3.33Å; W509-R515 HydrophobicContact CB-CB 4.04Å; W509-R515 WeakPolarHBondContact CB-O 3.5Å; G510-R515 PolarHBondContact N-O 3Å; Y513-R515 PolarHBondContact O-N 3.24Å; Y513-R515 VanDerWaalsContact O-N 3.12Å; R515-E520 VanDerWaalsContact CA-OE2 3.26Å; R515-E520 WeakPolarHBondContact CA-OE2 3.44Å; R515-E520 HydrophobicContact CB-CB 3.94Å; R515-E520 WeakPolarHBondContact CD-O 3.23Å; R515-E520 HydrophobicContact CG-CB 3.81Å; R515-E520 WeakPolarHBondContact CG-O 3.34Å
516	Q	94.1	Very high	95.9	Very high	121 Å²	121	43.2 Å²	43.2	57%	0.565	22%	0.223	S	C	*	.	S	Bend	trans	-84.7	-38	-176.9	-59.3	-54.2	-54.1	0	0	111.8	Y513 E520	Y513-Q516 PolarHBondContact O-NE2 3.45Å; Q516-E520 PolarHBondContact N-OE1 2.76Å; Q516-E520 PolarHBondContact N-OE2 3.24Å
517	S	95.8	Very high	96	Very high	47 Å²	47	42.4 Å²	42.4	33%	0.329	22%	0.218	S	C	.	.	S	Bend	trans	-112	154.2	178	-170.3	0	0	0	0	113	K519 E520	S517-K519 PolarHBondContact O-N 3.32Å; S517-K519 PolarHBondContact OG-N 2.9Å; S517-E520 WeakPolarHBondContact CB-OE1 3.12Å; S517-E520 PolarHBondContact N-OE1 3.44Å; S517-E520 WeakPolarHBondContact O-CB 3.33Å; S517-E520 PolarHBondContact O-N 2.99Å
518	I	97.6	Very high	96.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.7	167.8	-163	176.2	0	0	0	112.2	R502 W509 E520 T521 W524	R502-I518 HydrophobicContact CB-CD1 3.76Å; W509-I518 HydrophobicContact CD2-CB 3.78Å; W509-I518 HydrophobicContact CD2-CG1 4.09Å; W509-I518 HydrophobicContact CE3-CB 4Å; W509-I518 HydrophobicContact CE3-CD1 4.24Å; W509-I518 HydrophobicContact CE3-CG1 3.75Å; W509-I518 HydrophobicContact CG-CB 4.27Å; W509-I518 HydrophobicContact CH2-CB 4.39Å; W509-I518 HydrophobicContact CH2-CD1 3.69Å; W509-I518 HydrophobicContact CH2-CG1 4.09Å; W509-I518 HydrophobicContact CZ2-CB 4.2Å; W509-I518 HydrophobicContact CZ2-CD1 4.21Å; W509-I518 HydrophobicContact CZ2-CG1 4.4Å; W509-I518 HydrophobicContact CZ3-CB 4.28Å; W509-I518 HydrophobicContact CZ3-CD1 3.7Å; W509-I518 HydrophobicContact CZ3-CG1 3.73Å; I518-E520 PolarHBondContact O-N 2.98Å; I518-E520 VanDerWaalsContact O-N 3.16Å; I518-T521 HydrophobicContact CG1-CG2 4.37Å; I518-T521 VanDerWaalsContact O-CB 3.3Å; I518-T521 WeakPolarHBondContact O-CB 3.4Å; I518-T521 WeakPolarHBondContact O-CG2 3.2Å; I518-T521 PolarHBondContact O-N 3.49Å; I518-T521 PolarHBondContact O-OG1 3.01Å; I518-W524 HydrophobicContact CD1-CB 4.04Å; I518-W524 HydrophobicContact CD1-CD2 3.91Å; I518-W524 HydrophobicContact CD1-CE3 3.59Å; I518-W524 HydrophobicContact CD1-CG 4.13Å; I518-W524 HydrophobicContact CD1-CZ3 4.36Å; I518-W524 HydrophobicContact CG1-CB 4.04Å; I518-W524 HydrophobicContact CG1-CD2 3.87Å; I518-W524 HydrophobicContact CG1-CE3 4.04Å; I518-W524 HydrophobicContact CG1-CG 3.88Å; I518-W524 HydrophobicContact CG2-CD2 4.41Å; I518-W524 HydrophobicContact CG2-CE3 4.29Å; I518-W524 HydrophobicContact CG2-CH2 4.41Å; I518-W524 HydrophobicContact CG2-CZ3 4.27Å; I518-W524 PolarHBondContact O-NE1 3.24Å
519	K	97.5	Very high	96.2	Very high	107 Å²	107	39.6 Å²	39.6	47%	0.465	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-65.7	-11.9	174.3	-65.1	-169.6	173.7	-168.7	0	114	M331 D332 S517 W524	M331-K519 CarbonylContact C-O 3.58Å; M331-K519 WeakPolarHBondContact CA-O 3.33Å; D332-K519 HydrophobicContact CB-CB 4.43Å; D332-K519 PolarHBondContact N-O 3.39Å; S517-K519 PolarHBondContact O-N 3.32Å; S517-K519 PolarHBondContact OG-N 2.9Å; K519-W524 HydrophobicContact CG-CZ2 3.99Å
520	E	97.3	Very high	96.2	Very high	74 Å²	74	40.7 Å²	40.7	35%	0.346	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-95.3	1	172.1	-60.4	157.7	-126.4	0	0	112	R515 Q516 S517 I518	R515-E520 VanDerWaalsContact CA-OE2 3.26Å; R515-E520 WeakPolarHBondContact CA-OE2 3.44Å; R515-E520 HydrophobicContact CB-CB 3.94Å; R515-E520 WeakPolarHBondContact CD-O 3.23Å; R515-E520 HydrophobicContact CG-CB 3.81Å; R515-E520 WeakPolarHBondContact CG-O 3.34Å; Q516-E520 PolarHBondContact N-OE1 2.76Å; Q516-E520 PolarHBondContact N-OE2 3.24Å; S517-E520 WeakPolarHBondContact CB-OE1 3.12Å; S517-E520 PolarHBondContact N-OE1 3.44Å; S517-E520 WeakPolarHBondContact O-CB 3.33Å; S517-E520 PolarHBondContact O-N 2.99Å; I518-E520 PolarHBondContact O-N 2.98Å; I518-E520 VanDerWaalsContact O-N 3.16Å
521	T	98	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-85.4	143.3	176.4	72.4	0	0	0	0	110.9	M331 S504 W509 I518 C523	M331-T521 WeakPolarHBondContact CA-O 3.2Å; M331-T521 PolarHBondContact N-O 2.78Å; S504-T521 WeakPolarHBondContact OG-CB 3.49Å; S504-T521 WeakPolarHBondContact OG-CG2 3.41Å; S504-T521 PolarHBondContact OG-OG1 3.25Å; W509-T521 HydrophobicContact CB-CG2 4.04Å; W509-T521 HydrophobicContact CE3-CG2 4.09Å; I518-T521 HydrophobicContact CG1-CG2 4.37Å; I518-T521 VanDerWaalsContact O-CB 3.3Å; I518-T521 WeakPolarHBondContact O-CB 3.4Å; I518-T521 WeakPolarHBondContact O-CG2 3.2Å; I518-T521 PolarHBondContact O-N 3.49Å; I518-T521 PolarHBondContact O-OG1 3.01Å; T521-C523 VanDerWaalsContact C-N 3.31Å; T521-C523 PolarHBondContact O-N 2.96Å
522	P	97.9	Very high	96.8	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.084	19%	0.187	C	C	.	.	S	Bend	trans	-66	-30.2	-170	23.9	-34.3	0	0	0	114.1	E330 I376 A379 K507	E330-P522 VanDerWaalsContact CA-O 3.31Å; E330-P522 WeakPolarHBondContact CA-O 3.33Å; I376-P522 HydrophobicContact CB-CB 4.39Å; I376-P522 HydrophobicContact CG1-CB 3.96Å; I376-P522 WeakPolarHBondContact CG2-O 3.45Å; A379-P522 HydrophobicContact CB-CB 3.61Å; A379-P522 HydrophobicContact CB-CG 3.36Å; K507-P522 HydrophobicContact CB-CG 4.39Å; K507-P522 HydrophobicContact CG-CG 3.88Å
523	C	98.1	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-156.1	119.2	-177	50.6	0	0	0	0	110.4	Y328 F329 R380 I383 S504 F505 T521	Y328-C523 HydrophobicContact CE2-CB 3.92Å; Y328-C523 WeakPolarHBondContact OH-CB 3.28Å; F329-C523 WeakPolarHBondContact O-CA 3.47Å; R380-C523 HydrophobicContact CG-CB 4.37Å; I383-C523 HydrophobicContact CD1-CB 4.4Å; S504-C523 PolarHBondContact OG-O 2.97Å; F505-C523 PolarHBondContact N-O 3.16Å; F505-C523 VanDerWaalsContact N-O 3.12Å; T521-C523 VanDerWaalsContact C-N 3.31Å; T521-C523 PolarHBondContact O-N 2.96Å
524	W	98.8	Very high	97.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	166.1	-177.2	64.9	-80.1	0	0	0	111.9	Y328 F329 M331 R502 M503 I518 K519 E526	Y328-W524 VanDerWaalsContact CD2-O 3.29Å; Y328-W524 WeakPolarHBondContact CD2-O 3.43Å; F329-W524 HydrophobicContact CB-CD2 3.85Å; F329-W524 HydrophobicContact CB-CG 4.12Å; F329-W524 HydrophobicContact CB-CH2 4.42Å; F329-W524 HydrophobicContact CB-CZ2 3.66Å; F329-W524 VanDerWaalsContact CB-NE1 3.33Å; F329-W524 HydrophobicContact CD1-CH2 4.31Å; F329-W524 AromaticContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CD2 4.35Å; F329-W524 HydrophobicContact CD2-CE3 4.27Å; F329-W524 AromaticContact CD2-CH2 3.75Å; F329-W524 HydrophobicContact CD2-CH2 3.75Å; F329-W524 AromaticContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ3 4Å; F329-W524 HydrophobicContact CE1-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CH2 4.01Å; F329-W524 HydrophobicContact CE2-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CZ3 4.36Å; F329-W524 HydrophobicContact CG-CD2 4.33Å; F329-W524 AromaticContact CG-CE2 3.75Å; F329-W524 AromaticContact CG-CH2 3.92Å; F329-W524 HydrophobicContact CG-CH2 3.92Å; F329-W524 AromaticContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ3 4.5Å; F329-W524 HydrophobicContact CZ-CH2 4.42Å; F329-W524 PolarHBondContact N-O 3.29Å; F329-W524 PolarHBondContact O-N 2.94Å; M331-W524 PolarHBondContact O-NE1 3.42Å; R502-W524 HydrophobicContact CG-CZ3 4.17Å; M503-W524 CarbonylContact O-C 3.46Å; M503-W524 VanDerWaalsContact O-CA 3.25Å; M503-W524 WeakPolarHBondContact O-CA 3.44Å; M503-W524 VanDerWaalsContact O-CB 3.26Å; M503-W524 WeakPolarHBondContact O-CB 3.4Å; I518-W524 HydrophobicContact CD1-CB 4.04Å; I518-W524 HydrophobicContact CD1-CD2 3.91Å; I518-W524 HydrophobicContact CD1-CE3 3.59Å; I518-W524 HydrophobicContact CD1-CG 4.13Å; I518-W524 HydrophobicContact CD1-CZ3 4.36Å; I518-W524 HydrophobicContact CG1-CB 4.04Å; I518-W524 HydrophobicContact CG1-CD2 3.87Å; I518-W524 HydrophobicContact CG1-CE3 4.04Å; I518-W524 HydrophobicContact CG1-CG 3.88Å; I518-W524 HydrophobicContact CG2-CD2 4.41Å; I518-W524 HydrophobicContact CG2-CE3 4.29Å; I518-W524 HydrophobicContact CG2-CH2 4.41Å; I518-W524 HydrophobicContact CG2-CZ3 4.27Å; I518-W524 PolarHBondContact O-NE1 3.24Å; K519-W524 HydrophobicContact CG-CZ2 3.99Å; W524-E526 HydrophobicContact CZ3-CB 3.94Å
525	I	98.8	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.5	177.3	49.3	171.1	0	0	0	111.9	I326 A327 Y328 V350 R502 M503 F505 I527	I326-I525 HydrophobicContact CG2-CB 3.89Å; I326-I525 HydrophobicContact CG2-CD1 4.11Å; I326-I525 HydrophobicContact CG2-CG2 3.88Å; A327-I525 CarbonylContact O-C 3.55Å; A327-I525 VanDerWaalsContact O-CA 3.27Å; A327-I525 WeakPolarHBondContact O-CA 3.35Å; Y328-I525 HydrophobicContact CD2-CG2 3.9Å; Y328-I525 HydrophobicContact CG-CG2 4.48Å; V350-I525 HydrophobicContact CB-CD1 4.46Å; V350-I525 HydrophobicContact CG1-CD1 4.23Å; V350-I525 HydrophobicContact CG2-CD1 4.34Å; R502-I525 WeakPolarHBondContact CA-O 3.47Å; M503-I525 HydrophobicContact CB-CG1 4.02Å; M503-I525 HydrophobicContact CE-CD1 3.86Å; M503-I525 HydrophobicContact CE-CG1 4.41Å; M503-I525 HydrophobicContact CG-CD1 4.37Å; M503-I525 HydrophobicContact CG-CG1 4.03Å; M503-I525 PolarHBondContact N-O 3.43Å; M503-I525 PolarHBondContact O-N 2.74Å; M503-I525 HydrophobicContact SD-CD1 4.46Å; F505-I525 HydrophobicContact CE2-CD1 4.22Å; F505-I525 HydrophobicContact CE2-CG1 4Å; F505-I525 HydrophobicContact CE2-CG2 4.17Å; F505-I525 HydrophobicContact CZ-CD1 3.96Å; F505-I525 HydrophobicContact CZ-CG1 4.22Å; I525-I527 HydrophobicContact CD1-CD1 4.03Å; I525-I527 HydrophobicContact CD1-CG1 4.41Å; I525-I527 HydrophobicContact CG1-CD1 4.02Å
526	E	98.8	Very high	97.1	Very high	25 Å²	25	27.9 Å²	27.9	12%	0.117	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.8	169.4	-172.1	168.4	75.8	0	0	109.3	I326 A327 F329 I500 R502 W524 H528	I326-E526 CarbonylContact C-O 3.59Å; I326-E526 WeakPolarHBondContact CA-O 3.36Å; A327-E526 PolarHBondContact N-O 3.18Å; A327-E526 PolarHBondContact O-N 2.96Å; F329-E526 HydrophobicContact CE2-CB 4.01Å; I500-E526 HydrophobicContact CG2-CG 3.54Å; R502-E526 HydrophobicContact CG-CB 4.49Å; R502-E526 HydrophobicContact CG-CG 4.13Å; R502-E526 IonicContact CZ-OE2 2.72Å; R502-E526 IonicContact NE-OE2 2.74Å; R502-E526 PolarHBondContact NE-OE2 2.95Å; R502-E526 IonicContact NH2-OE2 3.93Å; R502-E526 PolarHBondContact NH2-OE2 2.58Å; W524-E526 HydrophobicContact CZ3-CB 3.94Å; E526-H528 IonicContact OE1-CE1 3.71Å; E526-H528 PolarHBondContact OE1-CE1 2.91Å; E526-H528 VanDerWaalsContact OE1-CE1 3.27Å
527	I	98.8	Very high	97	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.8	-176.7	-50.3	88	0	0	0	108.4	C324 I326 L389 I500 L501 M503 I525 L529	C324-I527 HydrophobicContact CB-CG2 3.84Å; I326-I527 HydrophobicContact CG1-CG1 4.26Å; I326-I527 HydrophobicContact CG1-CG2 4.24Å; I326-I527 HydrophobicContact CG2-CG1 4.38Å; L389-I527 HydrophobicContact CD1-CG1 3.97Å; L389-I527 HydrophobicContact CD1-CG2 4.32Å; I500-I527 WeakPolarHBondContact CA-O 3.32Å; L501-I527 HydrophobicContact CB-CB 4.27Å; L501-I527 HydrophobicContact CB-CD1 4.18Å; L501-I527 PolarHBondContact N-O 2.93Å; L501-I527 PolarHBondContact O-N 3.22Å; M503-I527 HydrophobicContact CB-CD1 4.47Å; M503-I527 HydrophobicContact CE-CD1 4.31Å; I525-I527 HydrophobicContact CD1-CD1 4.03Å; I525-I527 HydrophobicContact CD1-CG1 4.41Å; I525-I527 HydrophobicContact CG1-CD1 4.02Å; I527-L529 HydrophobicContact CG2-CD2 3.97Å
528	H	98.5	Very high	96.7	Very high	26 Å²	26	27.8 Å²	27.8	12%	0.12	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.6	172.5	-73.8	74.7	0	0	0	109.7	C324 S325 R496 E526 H530 L533	C324-H528 CarbonylContact C-O 3.6Å; C324-H528 WeakPolarHBondContact CA-O 3.48Å; C324-H528 VanDerWaalsContact CB-O 3.23Å; C324-H528 WeakPolarHBondContact CB-O 3.42Å; S325-H528 PolarHBondContact N-O 2.96Å; S325-H528 PolarHBondContact O-N 3.3Å; R496-H528 PolarHBondContact NH2-CD2 3.34Å; R496-H528 VanDerWaalsContact NH2-CD2 3.3Å; R496-H528 PolarHBondContact NH2-NE2 3.33Å; E526-H528 IonicContact OE1-CE1 3.71Å; E526-H528 PolarHBondContact OE1-CE1 2.91Å; E526-H528 VanDerWaalsContact OE1-CE1 3.27Å; H528-H530 PolarHBondContact O-CD2 3.32Å; H528-L533 HydrophobicContact CB-CD1 4.14Å
529	L	98.4	Very high	96.4	Very high	6 Å²	6	28 Å²	28	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.4	-179.3	-57.1	-179.6	0	0	0	110.5	W323 C324 V397 F438 C499 L501 I527 A532 L533	W323-L529 HydrophobicContact CE3-CD2 4.47Å; W323-L529 HydrophobicContact CZ3-CD2 4.16Å; C324-L529 HydrophobicContact CB-CD2 4.02Å; V397-L529 HydrophobicContact CG2-CD1 3.88Å; V397-L529 HydrophobicContact CG2-CD2 3.77Å; V397-L529 HydrophobicContact CG2-CG 4.49Å; F438-L529 HydrophobicContact CB-CD1 4.15Å; F438-L529 HydrophobicContact CD1-CD1 3.53Å; F438-L529 HydrophobicContact CD2-CD1 3.61Å; F438-L529 HydrophobicContact CE1-CD1 3.71Å; F438-L529 HydrophobicContact CE2-CD1 3.79Å; F438-L529 HydrophobicContact CG-CD1 3.48Å; F438-L529 VanDerWaalsContact CG-CD1 3.48Å; F438-L529 HydrophobicContact CZ-CD1 3.83Å; C499-L529 WeakPolarHBondContact O-CB 3.32Å; C499-L529 PolarHBondContact O-N 2.9Å; L501-L529 HydrophobicContact CD1-CD1 4.13Å; L501-L529 HydrophobicContact CG-CD1 4.35Å; I527-L529 HydrophobicContact CG2-CD2 3.97Å; L529-A532 HydrophobicContact CB-CB 4.05Å; L529-A532 PolarHBondContact O-N 3.32Å; L529-L533 WeakPolarHBondContact O-CG 3.41Å; L529-L533 PolarHBondContact O-N 3.09Å
530	H	97.8	Very high	95.9	Very high	41 Å²	41	25 Å²	25	19%	0.19	12%	0.123	C	C	.	.	H	α-helix	trans	-72.3	-37.1	-166.3	-71.7	-159	0	0	0	112.4	P320 Y322 W323 S325 H528 A532 L533 Q534	P320-H530 HydrophobicContact CB-CB 3.97Å; P320-H530 HydrophobicContact CG-CB 3.94Å; Y322-H530 WeakPolarHBondContact O-CB 3.49Å; Y322-H530 PolarHBondContact O-ND1 3.05Å; W323-H530 PolarHBondContact O-N 3.32Å; S325-H530 WeakPolarHBondContact CB-NE2 3.34Å; S325-H530 PolarHBondContact N-NE2 3.48Å; S325-H530 PolarHBondContact OG-NE2 3.02Å; H528-H530 PolarHBondContact O-CD2 3.32Å; H530-A532 VanDerWaalsContact C-N 3.32Å; H530-A532 PolarHBondContact O-N 3.23Å; H530-L533 PolarHBondContact O-N 3.34Å; H530-Q534 WeakPolarHBondContact O-CG 3.5Å; H530-Q534 PolarHBondContact O-N 2.84Å
531	R	97.1	Very high	95.3	Very high	19 Å²	19	28.2 Å²	28.2	7%	0.072	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-36.9	174.4	-175.7	57.1	171.7	-173.2	-2.8	112.3	S315 H317 E394 L440 Q534 L535	S315-R531 PolarHBondContact O-NH2 3.02Å; H317-R531 PolarHBondContact O-NH1 2.95Å; E394-R531 HydrophobicContact CG-CG 4.48Å; E394-R531 IonicContact OE1-CZ 3.16Å; E394-R531 IonicContact OE1-NE 3.21Å; E394-R531 PolarHBondContact OE1-NE 3.03Å; E394-R531 VanDerWaalsContact OE1-NE 3.16Å; E394-R531 IonicContact OE1-NH2 2.72Å; E394-R531 PolarHBondContact OE1-NH2 2.91Å; L440-R531 HydrophobicContact CD1-CB 4.43Å; L440-R531 HydrophobicContact CD1-CG 4.13Å; L440-R531 HydrophobicContact CD2-CG 3.63Å; R531-Q534 VanDerWaalsContact CD-OE1 3.25Å; R531-Q534 PolarHBondContact O-N 3.28Å; R531-L535 WeakPolarHBondContact O-CG 3.39Å; R531-L535 PolarHBondContact O-N 3.48Å; R531-L535 VanDerWaalsContact O-N 3.13Å
532	A	96.8	Very high	94.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-67.7	-38.8	174.6	0	0	0	0	0	111.7	F438 L440 M447 C499 L529 H530 L535 L536	F438-A532 HydrophobicContact CE1-CB 4.42Å; F438-A532 HydrophobicContact CZ-CB 3.76Å; L440-A532 HydrophobicContact CD1-CB 3.99Å; M447-A532 HydrophobicContact CE-CB 4.44Å; C499-A532 HydrophobicContact CB-CB 4.01Å; L529-A532 HydrophobicContact CB-CB 4.05Å; L529-A532 PolarHBondContact O-N 3.32Å; H530-A532 VanDerWaalsContact C-N 3.32Å; H530-A532 PolarHBondContact O-N 3.23Å; A532-L535 PolarHBondContact O-N 3.46Å; A532-L536 WeakPolarHBondContact O-CB 3.34Å; A532-L536 PolarHBondContact O-N 3.18Å
533	L	96.4	Very high	93.2	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-37.2	174.4	-70.5	166.1	0	0	0	112.7	R496 C499 H528 L529 H530 L536 D537	R496-L533 HydrophobicContact CG-CD2 4.12Å; C499-L533 HydrophobicContact CB-CD2 3.64Å; C499-L533 HydrophobicContact CB-CG 3.75Å; H528-L533 HydrophobicContact CB-CD1 4.14Å; L529-L533 WeakPolarHBondContact O-CG 3.41Å; L529-L533 PolarHBondContact O-N 3.09Å; H530-L533 PolarHBondContact O-N 3.34Å; L533-L536 PolarHBondContact O-N 2.59Å; L533-D537 PolarHBondContact O-N 3.22Å
534	Q	94.9	Very high	91.6	Very high	49 Å²	49	39.3 Å²	39.3	23%	0.229	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-46.1	172.2	-73.9	179.3	-35.7	0	0	111.8	P318 H530 R531 L536 D537 E538	P318-Q534 PolarHBondContact O-NE2 3.39Å; H530-Q534 WeakPolarHBondContact O-CG 3.5Å; H530-Q534 PolarHBondContact O-N 2.84Å; R531-Q534 VanDerWaalsContact CD-OE1 3.25Å; R531-Q534 PolarHBondContact O-N 3.28Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 2.81Å; Q534-D537 WeakPolarHBondContact O-CB 3.44Å; Q534-D537 PolarHBondContact O-N 3.1Å; Q534-E538 PolarHBondContact O-N 3.33Å
535	L	94.8	Very high	89.6	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-33.8	177.6	-67.5	175.4	0	0	0	112.1	I314 S315 L440 H444 R531 A532 E538 V539	I314-L535 HydrophobicContact CB-CD1 4.26Å; I314-L535 HydrophobicContact CB-CD2 4.43Å; I314-L535 HydrophobicContact CD1-CD1 4.18Å; I314-L535 HydrophobicContact CG2-CD1 3.83Å; I314-L535 HydrophobicContact CG2-CD2 3.9Å; S315-L535 VanDerWaalsContact CB-CD2 3.46Å; L440-L535 HydrophobicContact CD1-CD1 3.93Å; L440-L535 HydrophobicContact CD2-CD1 4.19Å; L440-L535 HydrophobicContact CG-CD1 3.95Å; H444-L535 HydrophobicContact CB-CD1 4.21Å; R531-L535 WeakPolarHBondContact O-CG 3.39Å; R531-L535 PolarHBondContact O-N 3.48Å; R531-L535 VanDerWaalsContact O-N 3.13Å; A532-L535 PolarHBondContact O-N 3.46Å; L535-E538 PolarHBondContact O-N 3.39Å; L535-V539 WeakPolarHBondContact O-CG2 3.44Å; L535-V539 PolarHBondContact O-N 2.97Å
536	L	93.8	Very high	87.5	Confident	7 Å²	7	51 Å²	51	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-44.6	171.8	176.9	56.2	0	0	0	111.6	M447 L495 R496 A532 L533 Q534 E538 V539 L540	M447-L536 HydrophobicContact CE-CB 3.89Å; M447-L536 HydrophobicContact CG-CD1 4.46Å; M447-L536 HydrophobicContact SD-CB 4.15Å; L495-L536 HydrophobicContact CB-CD1 3.54Å; L495-L536 HydrophobicContact CB-CD2 4.21Å; L495-L536 HydrophobicContact CD1-CD1 4.02Å; L495-L536 HydrophobicContact CG-CD1 4.35Å; R496-L536 HydrophobicContact CB-CD2 4.14Å; A532-L536 WeakPolarHBondContact O-CB 3.34Å; A532-L536 PolarHBondContact O-N 3.18Å; L533-L536 PolarHBondContact O-N 2.59Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 2.81Å; L536-E538 VanDerWaalsContact C-N 3.32Å; L536-E538 PolarHBondContact O-N 3.21Å; L536-V539 PolarHBondContact O-N 3.35Å; L536-L540 HydrophobicContact CD1-CD1 4.03Å; L536-L540 HydrophobicContact CD1-CG 4.02Å; L536-L540 HydrophobicContact CG-CD1 3.95Å; L536-L540 HydrophobicContact CG-CG 4.4Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 2.82Å
537	D	91.3	Very high	84.9	Confident	90 Å²	90	56.2 Å²	56.2	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-42.6	176.7	-169.4	75.9	0	0	0	111.4	L533 Q534 L540 H541	L533-D537 PolarHBondContact O-N 3.22Å; Q534-D537 WeakPolarHBondContact O-CB 3.44Å; Q534-D537 PolarHBondContact O-N 3.1Å; D537-L540 PolarHBondContact O-N 3.05Å; D537-H541 PolarHBondContact O-N 3.27Å; D537-H541 PolarHBondContact O-ND1 2.87Å; D537-H541 IonicContact OD1-CE1 3.79Å; D537-H541 PolarHBondContact OD1-CE1 3.42Å; D537-H541 IonicContact OD1-ND1 2.58Å; D537-H541 IonicContact OD2-CE1 3.45Å; D537-H541 PolarHBondContact OD2-CE1 3.24Å; D537-H541 IonicContact OD2-ND1 3.15Å; D537-H541 PolarHBondContact OD2-ND1 3.27Å
538	E	90.6	Very high	82.4	Confident	76 Å²	76	61.9 Å²	61.9	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-48.7	172.6	-170	177.3	156.4	0	0	111.7	S315 Q534 L535 L536 L540 H541 T542	S315-E538 WeakPolarHBondContact CB-OE2 3.44Å; S315-E538 PolarHBondContact OG-OE2 3.35Å; Q534-E538 PolarHBondContact O-N 3.33Å; L535-E538 PolarHBondContact O-N 3.39Å; L536-E538 VanDerWaalsContact C-N 3.32Å; L536-E538 PolarHBondContact O-N 3.21Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.37Å; E538-H541 PolarHBondContact O-N 3.31Å; E538-T542 WeakPolarHBondContact O-CG2 3.37Å; E538-T542 PolarHBondContact O-N 2.91Å; E538-T542 VanDerWaalsContact O-N 3.1Å
539	V	89.8	Confident	79.9	Confident	7 Å²	7	69 Å²	69	4%	0.042	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-42.3	177.1	168.9	0	0	0	0	111.8	Q448 A451 L535 L536 T542 M543	Q448-V539 HydrophobicContact CG-CG2 3.83Å; A451-V539 HydrophobicContact CB-CG1 3.63Å; L535-V539 WeakPolarHBondContact O-CG2 3.44Å; L535-V539 PolarHBondContact O-N 2.97Å; L536-V539 PolarHBondContact O-N 3.35Å; V539-T542 PolarHBondContact O-N 3.22Å; V539-T542 PolarHBondContact O-OG1 3.4Å; V539-M543 PolarHBondContact O-N 3.25Å
540	L	87.4	Confident	77.1	Confident	45 Å²	45	73.3 Å²	73.3	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-66.9	-38.2	179	-68.9	170.7	0	0	0	112.3	V492 L495 L536 D537 E538 T542 M543	V492-L540 HydrophobicContact CG1-CD1 3.82Å; V492-L540 HydrophobicContact CG2-CD1 4.38Å; V492-L540 HydrophobicContact CG2-CD2 4.02Å; L495-L540 HydrophobicContact CD1-CD2 4.03Å; L536-L540 HydrophobicContact CD1-CD1 4.03Å; L536-L540 HydrophobicContact CD1-CG 4.02Å; L536-L540 HydrophobicContact CG-CD1 3.95Å; L536-L540 HydrophobicContact CG-CG 4.4Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 2.82Å; D537-L540 PolarHBondContact O-N 3.05Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.37Å; L540-T542 VanDerWaalsContact C-N 3.27Å; L540-T542 PolarHBondContact O-N 3.38Å; L540-M543 HydrophobicContact CD2-CE 4.31Å; L540-M543 HydrophobicContact CD2-SD 4.28Å; L540-M543 WeakPolarHBondContact O-CB 3.46Å; L540-M543 PolarHBondContact O-N 2.78Å
541	H	84.6	Confident	74.6	Confident	141 Å²	141	78.5 Å²	78.5	65%	0.653	43%	0.434	S	S	*	.	H	α-helix	trans	-68.8	-23.1	174.2	-75	99.3	0	0	0	113.5	D537 E538	D537-H541 PolarHBondContact O-N 3.27Å; D537-H541 PolarHBondContact O-ND1 2.87Å; D537-H541 IonicContact OD1-CE1 3.79Å; D537-H541 PolarHBondContact OD1-CE1 3.42Å; D537-H541 IonicContact OD1-ND1 2.58Å; D537-H541 IonicContact OD2-CE1 3.45Å; D537-H541 PolarHBondContact OD2-CE1 3.24Å; D537-H541 IonicContact OD2-ND1 3.15Å; D537-H541 PolarHBondContact OD2-ND1 3.27Å; E538-H541 PolarHBondContact O-N 3.31Å
542	T	79.8	Confident	72.2	Confident	104 Å²	104	87.9 Å²	87.9	64%	0.638	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-9	173.9	62.2	0	0	0	0	114.6	E538 V539 L540	E538-T542 WeakPolarHBondContact O-CG2 3.37Å; E538-T542 PolarHBondContact O-N 2.91Å; E538-T542 VanDerWaalsContact O-N 3.1Å; V539-T542 PolarHBondContact O-N 3.22Å; V539-T542 PolarHBondContact O-OG1 3.4Å; L540-T542 VanDerWaalsContact C-N 3.27Å; L540-T542 PolarHBondContact O-N 3.38Å
543	M	72.8	Confident	71	Confident	54 Å²	54	92.2 Å²	92.2	27%	0.266	51%	0.51	S	S	.	.	S	Bend	trans	-65.9	133.8	170.5	-69.8	-171.6	168.8	0	0	109.7	A451 V539 L540 I545	A451-M543 HydrophobicContact CB-CE 3.36Å; V539-M543 PolarHBondContact O-N 3.25Å; L540-M543 HydrophobicContact CD2-CE 4.31Å; L540-M543 HydrophobicContact CD2-SD 4.28Å; L540-M543 WeakPolarHBondContact O-CB 3.46Å; L540-M543 PolarHBondContact O-N 2.78Å; M543-I545 PolarHBondContact O-N 3.1Å
544	P	64.2	Low	69.6	Low	88 Å²	88	94.9 Å²	94.9	57%	0.571	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-56.1	128.6	175.6	-26.2	36.4	0	0	0	111	Q455 A546	Q455-P544 VanDerWaalsContact NE2-CD 3.3Å; P544-A546 PolarHBondContact O-N 3.12Å
545	I	57	Low	68.2	Low	153 Å²	153	97.4 Å²	97.4	79%	0.785	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-55.4	132.2	165.7	-61.1	172.5	0	0	0	106.7	M543 D547	M543-I545 PolarHBondContact O-N 3.1Å; I545-D547 PolarHBondContact O-N 3.16Å
546	A	53.8	Low	66.7	Low	95 Å²	95	103.1 Å²	103.1	79%	0.785	57%	0.573	S	S	*	*			trans	-71.5	75.8	177.4	0	0	0	0	0	110.1	P544	P544-A546 PolarHBondContact O-N 3.12Å
547	D	44.6	Very low	65	Low	134 Å²	134	109.1 Å²	109.1	72%	0.717	61%	0.606	S	S	*	*			trans	-55.9	128.1	166.1	-97.8	-28.7	0	0	0	108	I545 Q549	I545-D547 PolarHBondContact O-N 3.16Å; D547-Q549 PolarHBondContact O-N 3.16Å
548	P	46.5	Very low	63.2	Low	121 Å²	121	110.3 Å²	110.3	79%	0.786	62%	0.615	S	S	*	*			trans	-64.4	100.4	176.7	-18.4	31	0	0	0	109.3	P550	P548-P550 WeakPolarHBondContact O-CD 3.24Å
549	Q	45	Very low	61.3	Low	174 Å²	174	112.8 Å²	112.8	81%	0.813	63%	0.633	S	S	*	*			trans	-64.3	123.1	167.3	-73.9	-139.7	-53	0	0	108.2	D547 L551	D547-Q549 PolarHBondContact O-N 3.16Å; Q549-L551 PolarHBondContact O-N 3.31Å
550	P	41	Very low	59.1	Low	98 Å²	98	120.9 Å²	120.9	64%	0.636	68%	0.678	S	S	*	*			trans	-61.6	132.3	168.8	27.1	-32.4	0	0	0	108.5	P548 D552	P548-P550 WeakPolarHBondContact O-CD 3.24Å; P550-D552 VanDerWaalsContact C-N 3.29Å; P550-D552 PolarHBondContact O-N 2.58Å; P550-D552 VanDerWaalsContact O-N 3.16Å
551	L	44.6	Very low	56.7	Low	150 Å²	150	127.3 Å²	127.3	79%	0.785	72%	0.715	S	S	*	*			trans	-84.2	78.3	172.4	-67.4	169.7	0	0	0	108	A466 Q549	A466-L551 HydrophobicContact CB-CD2 3.67Å; Q549-L551 PolarHBondContact O-N 3.31Å
552	D	46.8	Very low	54.2	Low	215 Å²	215	126 Å²	126	100%	1.15	72%	0.721	S	S	*	*			trans	-95.9	0	172.7	-70.2	-36.7	0	0	0	111.6	P550	P550-D552 VanDerWaalsContact C-N 3.29Å; P550-D552 PolarHBondContact O-N 2.58Å; P550-D552 VanDerWaalsContact O-N 3.16Å

Retrieved 552 of 552 residues in 291.5 ms (Link to these results)

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