A0A077ZGB3_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGB3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 281 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	52.5	Low	50.5	Low	217 Å²	217	120.1 Å²	120.1	100%	1.069	64%	0.644	S	S	*	*				0	55	0	-70.6	166.5	64.8	0	0	111.4
2	H	51.9	Low	50.3	Low	157 Å²	157	118.6 Å²	118.6	73%	0.727	64%	0.635	S	S	*	*			trans	-123.2	-16.2	-174.9	-65.9	-32.4	0	0	0	114.4
3	A	50.1	Low	49.7	Very low	76 Å²	76	114.2 Å²	114.2	63%	0.628	62%	0.618	S	S	*	*	H	α-helix	trans	-72.3	-33.4	178.9	0	0	0	0	0	113.6	L5 V6 V7	A3-L5 PolarHBondContact O-N 3.29Å; A3-V6 PolarHBondContact O-N 2.92Å; A3-V7 PolarHBondContact O-N 3.32Å
4	F	50.1	Low	48.8	Very low	187 Å²	187	117.4 Å²	117.4	82%	0.82	63%	0.627	S	S	*	*	H	α-helix	trans	-70.5	-29.4	-178.5	-86.7	-84.8	0	0	0	113.8	A8	F4-A8 WeakPolarHBondContact O-CB 3.47Å; F4-A8 PolarHBondContact O-N 3.28Å
5	L	51.3	Low	48.1	Very low	117 Å²	117	116.9 Å²	116.9	61%	0.613	62%	0.623	S	S	*	*	H	α-helix	trans	-74.1	-35.1	178.9	-95.3	155.4	0	0	0	112.2	A3 F9	A3-L5 PolarHBondContact O-N 3.29Å; L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 3.14Å
6	V	53.6	Low	47.4	Very low	90 Å²	90	122.8 Å²	122.8	55%	0.545	63%	0.634	S	S	.	*	H	α-helix	trans	-70.7	-38.1	179.5	-179.8	0	0	0	0	111.2	A3 F9 L10	A3-V6 PolarHBondContact O-N 2.92Å; V6-F9 PolarHBondContact O-N 2.96Å; V6-L10 HydrophobicContact CG1-CD1 4.02Å; V6-L10 WeakPolarHBondContact O-CB 3.36Å; V6-L10 VanDerWaalsContact O-CG 3.32Å; V6-L10 WeakPolarHBondContact O-CG 3.49Å; V6-L10 PolarHBondContact O-N 3.36Å
7	V	52.3	Low	46.6	Very low	92 Å²	92	119.1 Å²	119.1	56%	0.558	63%	0.626	S	S	*	*	H	α-helix	trans	-69.7	-40.3	176.7	179.5	0	0	0	0	111.2	A3 F9 L10 V11	A3-V7 PolarHBondContact O-N 3.32Å; V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 3.08Å; V7-L10 PolarHBondContact O-N 3.43Å; V7-V11 VanDerWaalsContact O-CG2 3.27Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 2.7Å
8	A	50.6	Low	46.3	Very low	49 Å²	49	115.3 Å²	115.3	41%	0.405	61%	0.608	S	S	.	*	H	α-helix	trans	-64.2	-38.2	174.7	0	0	0	0	0	112.2	F4 L12	F4-A8 WeakPolarHBondContact O-CB 3.47Å; F4-A8 PolarHBondContact O-N 3.28Å; A8-L12 WeakPolarHBondContact O-CB 3.31Å; A8-L12 WeakPolarHBondContact O-CD1 3.49Å; A8-L12 PolarHBondContact O-N 2.99Å
9	F	48.6	Very low	46	Very low	138 Å²	138	115.8 Å²	115.8	61%	0.605	61%	0.607	S	S	*	*	H	α-helix	trans	-71.3	-36.1	177.7	-126.7	-95.8	0	0	0	113	L5 V6 V7 L12 C13	L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 3.14Å; V6-F9 PolarHBondContact O-N 2.96Å; V7-F9 VanDerWaalsContact C-N 3.34Å; V7-F9 PolarHBondContact O-N 3.08Å; F9-L12 PolarHBondContact O-N 3Å; F9-C13 VanDerWaalsContact O-CB 3.29Å; F9-C13 WeakPolarHBondContact O-CB 3.34Å; F9-C13 PolarHBondContact O-N 2.94Å; F9-C13 PolarHBondContact O-SG 2.59Å; F9-C13 VanDerWaalsContact O-SG 3.38Å
10	L	47.6	Very low	45.8	Very low	109 Å²	109	114.4 Å²	114.4	57%	0.571	61%	0.607	S	S	*	*	H	α-helix	trans	-68.3	-39.4	175.3	-73.3	167.8	0	0	0	111.7	V6 V7 C13 E14	V6-L10 HydrophobicContact CG1-CD1 4.02Å; V6-L10 WeakPolarHBondContact O-CB 3.36Å; V6-L10 VanDerWaalsContact O-CG 3.32Å; V6-L10 WeakPolarHBondContact O-CG 3.49Å; V6-L10 PolarHBondContact O-N 3.36Å; V7-L10 PolarHBondContact O-N 3.43Å; L10-C13 PolarHBondContact O-N 3Å; L10-E14 WeakPolarHBondContact O-CG 3.49Å; L10-E14 PolarHBondContact O-N 3.18Å
11	V	46.5	Very low	45.7	Very low	89 Å²	89	112.8 Å²	112.8	54%	0.539	60%	0.596	S	S	.	*	H	α-helix	trans	-65.5	-38.4	174.2	174	0	0	0	0	111.5	V7 L15	V7-V11 VanDerWaalsContact O-CG2 3.27Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 2.7Å; V11-L15 HydrophobicContact CG1-CD1 4.4Å; V11-L15 WeakPolarHBondContact O-CD1 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.35Å; V11-L15 PolarHBondContact O-N 2.88Å
12	L	48.3	Very low	45.7	Very low	102 Å²	102	104 Å²	104	53%	0.534	55%	0.553	S	S	.	*	H	α-helix	trans	-73.9	-30	176.1	-93.4	144.7	0	0	0	113.8	A8 F9	A8-L12 WeakPolarHBondContact O-CB 3.31Å; A8-L12 WeakPolarHBondContact O-CD1 3.49Å; A8-L12 PolarHBondContact O-N 2.99Å; F9-L12 PolarHBondContact O-N 3Å
13	C	43	Very low	45.6	Very low	62 Å²	62	96.6 Å²	96.6	42%	0.419	52%	0.519	S	S	.	.	H	α-helix	trans	-77.9	-34.8	176.5	-79.1	0	0	0	0	112.7	F9 L10 L15 R16	F9-C13 VanDerWaalsContact O-CB 3.29Å; F9-C13 WeakPolarHBondContact O-CB 3.34Å; F9-C13 PolarHBondContact O-N 2.94Å; F9-C13 PolarHBondContact O-SG 2.59Å; F9-C13 VanDerWaalsContact O-SG 3.38Å; L10-C13 PolarHBondContact O-N 3Å; C13-L15 VanDerWaalsContact C-N 3.3Å; C13-L15 PolarHBondContact O-N 3.09Å; C13-R16 PolarHBondContact O-N 2.96Å
14	E	36.7	Very low	45.8	Very low	159 Å²	159	93.5 Å²	93.5	74%	0.743	49%	0.493	S	S	*	.	H	α-helix	trans	-69.8	-27.2	173.6	-70.3	-135.3	158.4	0	0	112.9	L10 R16 A17	L10-E14 WeakPolarHBondContact O-CG 3.49Å; L10-E14 PolarHBondContact O-N 3.18Å; E14-R16 VanDerWaalsContact C-N 3.26Å; E14-R16 PolarHBondContact O-N 2.94Å; E14-A17 PolarHBondContact O-N 2.68Å
15	L	39.3	Very low	45.8	Very low	109 Å²	109	86.1 Å²	86.1	57%	0.571	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-68.2	-21.2	172.7	-82.9	159.5	0	0	0	113.5	V11 C13	V11-L15 HydrophobicContact CG1-CD1 4.4Å; V11-L15 WeakPolarHBondContact O-CD1 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.35Å; V11-L15 PolarHBondContact O-N 2.88Å; C13-L15 VanDerWaalsContact C-N 3.3Å; C13-L15 PolarHBondContact O-N 3.09Å
16	R	35.9	Very low	45.9	Very low	212 Å²	212	84.1 Å²	84.1	80%	0.8	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-86.3	-7.4	177.6	-77.5	-177.7	174	153	-1.3	114.2	C13 E14	C13-R16 PolarHBondContact O-N 2.96Å; E14-R16 VanDerWaalsContact C-N 3.26Å; E14-R16 PolarHBondContact O-N 2.94Å
17	A	34.9	Very low	45.9	Very low	60 Å²	60	82.2 Å²	82.2	50%	0.496	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-94.2	6.9	177.6	0	0	0	0	0	114.2	E14 H19	E14-A17 PolarHBondContact O-N 2.68Å; A17-H19 VanDerWaalsContact C-N 3.31Å; A17-H19 PolarHBondContact O-N 2.71Å
18	V	40.7	Very low	46	Very low	50 Å²	50	83.1 Å²	83.1	30%	0.303	44%	0.438	S	S	.	.	S	Bend	trans	-79.7	86.8	168.6	-172.5	0	0	0	0	108.9	S20 L28 L31	V18-S20 PolarHBondContact O-N 3.38Å; V18-S20 VanDerWaalsContact O-N 3.07Å; V18-L28 HydrophobicContact CB-CD2 3.65Å; V18-L28 HydrophobicContact CG1-CD2 3.41Å; V18-L28 VanDerWaalsContact CG1-CD2 3.41Å; V18-L28 HydrophobicContact CG2-CD2 3.89Å; V18-L31 HydrophobicContact CG1-CD1 4.2Å
19	H	41	Very low	46.3	Very low	126 Å²	126	84.2 Å²	84.2	58%	0.583	45%	0.447	S	S	*	.			trans	-47.7	114.8	173.7	-90	18.5	0	0	0	111.2	A17 E21 D22	A17-H19 VanDerWaalsContact C-N 3.31Å; A17-H19 PolarHBondContact O-N 2.71Å; H19-E21 HydrophobicContact CB-CB 4.2Å; H19-E21 PolarHBondContact O-N 3.39Å; H19-D22 PolarHBondContact O-N 2.68Å
20	S	42.3	Very low	46.8	Very low	86 Å²	86	82.1 Å²	82.1	60%	0.601	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-9.3	172.3	56.5	0	0	0	0	113.4	V18	V18-S20 PolarHBondContact O-N 3.38Å; V18-S20 VanDerWaalsContact O-N 3.07Å
21	E	43.8	Very low	47.3	Very low	81 Å²	81	78.7 Å²	78.7	38%	0.379	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25	178.2	-72.7	-80.4	115.7	0	0	115.3	H19 G23 K147 K162	H19-E21 HydrophobicContact CB-CB 4.2Å; H19-E21 PolarHBondContact O-N 3.39Å; E21-G23 PolarHBondContact O-N 3.14Å; E21-K147 IonicContact OE1-NZ 3.65Å; E21-K147 PolarHBondContact OE1-NZ 3.36Å; E21-K162 WeakPolarHBondContact O-CE 3.19Å; E21-K162 PolarHBondContact O-NZ 3.1Å; E21-K162 IonicContact OE2-NZ 3.63Å; E21-K162 PolarHBondContact OE2-NZ 2.94Å
22	D	50.9	Low	47.9	Very low	34 Å²	34	78.6 Å²	78.6	18%	0.182	43%	0.43	C	S	.	.			trans	-86.1	117.6	-168.6	-66.9	-13.1	0	0	0	109.2	H19 S24 R38	H19-D22 PolarHBondContact O-N 2.68Å; D22-S24 PolarHBondContact O-N 2.85Å; D22-R38 WeakPolarHBondContact OD2-CD 3.19Å; D22-R38 IonicContact OD2-CZ 3.75Å; D22-R38 IonicContact OD2-NE 3.95Å; D22-R38 IonicContact OD2-NH1 2.84Å; D22-R38 PolarHBondContact OD2-NH1 3Å
23	G	51.1	Low	48.4	Very low	0 Å²	0	77.7 Å²	77.7	0%	0	43%	0.432	C	S	.	.			trans	-69.4	42.3	173.2	0	0	0	0	0	113.1	E21 F41 W43	E21-G23 PolarHBondContact O-N 3.14Å; G23-F41 PolarHBondContact O-N 3.12Å; G23-W43 WeakPolarHBondContact O-CH2 2.91Å
24	S	53	Low	49.1	Very low	11 Å²	11	81.5 Å²	81.5	8%	0.077	44%	0.442	C	S	.	.			trans	-68.9	136.6	178	175.9	0	0	0	0	109.3	D22 Y26	D22-S24 PolarHBondContact O-N 2.85Å; S24-Y26 PolarHBondContact O-N 3.02Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.32Å; S24-Y26 PolarHBondContact OG-N 2.79Å
25	P	50.6	Low	49.9	Very low	32 Å²	32	80 Å²	80	21%	0.208	45%	0.446	C	S	.	.	S	Bend	trans	-73.2	-8.9	175.7	35	-39	0	0	0	112.6	P42 W43 P131	P25-P42 HydrophobicContact CB-CG 4.12Å; P25-P42 HydrophobicContact CG-CG 3.79Å; P25-W43 HydrophobicContact CB-CE3 4.42Å; P25-W43 HydrophobicContact CB-CZ3 3.75Å; P25-P131 HydrophobicContact CB-CB 3.65Å; P25-P131 HydrophobicContact CB-CG 4.33Å; P25-P131 HydrophobicContact CG-CB 3.87Å; P25-P131 HydrophobicContact CG-CG 4.07Å
26	Y	52.9	Low	50.5	Low	75 Å²	75	80.4 Å²	80.4	29%	0.294	44%	0.443	S	S	.	.	S	Bend	trans	-94.4	137.1	-170	-58.3	-63.3	0	0	0	111.5	S24 Q30 L31 K36	S24-Y26 PolarHBondContact O-N 3.02Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.32Å; S24-Y26 PolarHBondContact OG-N 2.79Å; Y26-Q30 HydrophobicContact CD1-CB 4.36Å; Y26-L31 HydrophobicContact CD2-CD2 4.1Å; Y26-L31 HydrophobicContact CG-CD2 4.39Å; Y26-K36 HydrophobicContact CE2-CB 4.47Å
27	T	54.3	Low	51.3	Low	50 Å²	50	75.1 Å²	75.1	31%	0.307	44%	0.436	S	S	.	.			trans	-66.7	160.4	169.1	66	0	0	0	0	110.5	A29 Q30 L31 L204	T27-A29 PolarHBondContact O-N 2.84Å; T27-Q30 WeakPolarHBondContact O-CB 3.39Å; T27-Q30 PolarHBondContact O-N 2.67Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.46Å; T27-Q30 PolarHBondContact OG1-N 2.93Å; T27-L31 PolarHBondContact O-N 2.78Å; T27-L204 HydrophobicContact CG2-CD2 4.32Å
28	L	55.1	Low	52.4	Low	112 Å²	112	78.4 Å²	78.4	59%	0.586	44%	0.435	S	S	*	.	H	α-helix	trans	-53.1	-40.9	175.8	-73.3	167.7	0	0	0	111.9	V18 Q30 L31 A32	V18-L28 HydrophobicContact CB-CD2 3.65Å; V18-L28 HydrophobicContact CG1-CD2 3.41Å; V18-L28 VanDerWaalsContact CG1-CD2 3.41Å; V18-L28 HydrophobicContact CG2-CD2 3.89Å; L28-Q30 PolarHBondContact O-N 2.84Å; L28-L31 PolarHBondContact O-N 2.88Å; L28-A32 WeakPolarHBondContact O-CB 3.23Å; L28-A32 PolarHBondContact O-N 2.88Å
29	A	56.2	Low	53.4	Low	72 Å²	72	77.5 Å²	77.5	60%	0.595	43%	0.43	S	S	*	.	H	α-helix	trans	-65.2	-35	176.3	0	0	0	0	0	113.3	T27 S33	T27-A29 PolarHBondContact O-N 2.84Å; A29-S33 WeakPolarHBondContact O-CB 3.42Å; A29-S33 PolarHBondContact O-N 2.98Å; A29-S33 VanDerWaalsContact O-N 3.12Å; A29-S33 PolarHBondContact O-OG 3.3Å
30	Q	59.5	Low	55	Low	94 Å²	94	74.9 Å²	74.9	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-72.7	-36.5	176.8	-74.7	174.3	-16.8	0	0	112.2	Y26 T27 L28 S33 K34	Y26-Q30 HydrophobicContact CD1-CB 4.36Å; T27-Q30 WeakPolarHBondContact O-CB 3.39Å; T27-Q30 PolarHBondContact O-N 2.67Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.46Å; T27-Q30 PolarHBondContact OG1-N 2.93Å; L28-Q30 PolarHBondContact O-N 2.84Å; Q30-S33 WeakPolarHBondContact CA-OG 3.44Å; Q30-S33 PolarHBondContact O-N 2.72Å; Q30-S33 PolarHBondContact O-OG 3.49Å; Q30-K34 PolarHBondContact O-N 3.39Å
31	L	57.8	Low	56.8	Low	36 Å²	36	71 Å²	71	19%	0.188	39%	0.393	C	S	.	.	H	α-helix	trans	-67.2	-40.1	173.6	-71.7	169.9	0	0	0	111.6	V18 Y26 T27 L28 S33	V18-L31 HydrophobicContact CG1-CD1 4.2Å; Y26-L31 HydrophobicContact CD2-CD2 4.1Å; Y26-L31 HydrophobicContact CG-CD2 4.39Å; T27-L31 PolarHBondContact O-N 2.78Å; L28-L31 PolarHBondContact O-N 2.88Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 3.3Å
32	A	59.1	Low	58.9	Low	87 Å²	87	67.6 Å²	67.6	72%	0.719	38%	0.378	S	S	*	.	H	α-helix	trans	-65.2	-32.5	176.9	0	0	0	0	0	112.8	L28	L28-A32 WeakPolarHBondContact O-CB 3.23Å; L28-A32 PolarHBondContact O-N 2.88Å
33	S	57.8	Low	60.7	Low	84 Å²	84	66.2 Å²	66.2	59%	0.587	37%	0.37	S	S	*	.	H	α-helix	trans	-89.2	-25.3	-178.3	53.5	0	0	0	0	114.4	A29 Q30 L31	A29-S33 WeakPolarHBondContact O-CB 3.42Å; A29-S33 PolarHBondContact O-N 2.98Å; A29-S33 VanDerWaalsContact O-N 3.12Å; A29-S33 PolarHBondContact O-OG 3.3Å; Q30-S33 WeakPolarHBondContact CA-OG 3.44Å; Q30-S33 PolarHBondContact O-N 2.72Å; Q30-S33 PolarHBondContact O-OG 3.49Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 3.3Å
34	K	58.5	Low	62.7	Low	141 Å²	141	66.4 Å²	66.4	61%	0.613	37%	0.371	S	S	*	.			trans	-145.9	107.1	178.5	-67.1	-172.9	-179.1	179.4	0	110.8	Q30 K36	Q30-K34 PolarHBondContact O-N 3.39Å; K34-K36 PolarHBondContact O-N 2.68Å
35	P	53.6	Low	64.6	Low	128 Å²	128	65.9 Å²	65.9	83%	0.831	37%	0.367	S	S	*	.			trans	-73.9	75.9	173.5	31.1	-32.6	0	0	0	109.1
36	K	51.6	Low	66.7	Low	118 Å²	118	64.4 Å²	64.4	51%	0.513	36%	0.358	S	S	.	.			trans	-77.1	146.4	165.9	-74.9	-171.4	176.4	-174.7	0	108.6	Y26 K34 R38	Y26-K36 HydrophobicContact CE2-CB 4.47Å; K34-K36 PolarHBondContact O-N 2.68Å; K36-R38 PolarHBondContact O-N 2.73Å
37	P	53.2	Low	68.6	Low	101 Å²	101	60.9 Å²	60.9	66%	0.656	34%	0.344	S	S	*	.			trans	-52.7	130.7	178.5	19.5	-30.7	0	0	0	110	V39	P37-V39 PolarHBondContact O-N 3.46Å
38	R	57.5	Low	70.5	Confident	128 Å²	128	61.2 Å²	61.2	48%	0.483	34%	0.341	S	S	.	.			trans	-66.4	102.4	178.8	-65.2	-172.1	-174.5	177.7	7.5	108.4	D22 K36	D22-R38 WeakPolarHBondContact OD2-CD 3.19Å; D22-R38 IonicContact OD2-CZ 3.75Å; D22-R38 IonicContact OD2-NE 3.95Å; D22-R38 IonicContact OD2-NH1 2.84Å; D22-R38 PolarHBondContact OD2-NH1 3Å; K36-R38 PolarHBondContact O-N 2.73Å
39	V	61.3	Low	72	Confident	32 Å²	32	56.5 Å²	56.5	19%	0.194	32%	0.317	C	S	.	.			trans	-94.1	111	170.8	-176.9	0	0	0	0	107.9	P37 F41 P42 S100	P37-V39 PolarHBondContact O-N 3.46Å; V39-F41 PolarHBondContact O-N 2.91Å; V39-P42 HydrophobicContact CB-CB 4.26Å; V39-P42 HydrophobicContact CG1-CB 3.85Å; V39-S100 VanDerWaalsContact CG1-CB 3.47Å; V39-S100 WeakPolarHBondContact CG1-OG 3.29Å
40	N	74.7	Confident	73.4	Confident	71 Å²	71	57.4 Å²	57.4	38%	0.38	32%	0.317	S	S	.	.	S	Bend	trans	-68.2	127.3	175	-72.9	-22.1	0	0	0	110.4
41	F	81.4	Confident	74.4	Confident	5 Å²	5	60 Å²	60	2%	0.022	33%	0.327	C	S	.	.	S	Bend	trans	53.6	57.6	173.9	-39.5	-62.5	0	0	0	113.3	G23 V39 W43 T44 L149 V151 K160 K162	G23-F41 PolarHBondContact O-N 3.12Å; V39-F41 PolarHBondContact O-N 2.91Å; F41-W43 PolarHBondContact O-N 2.87Å; F41-T44 WeakPolarHBondContact O-CB 3.36Å; F41-T44 PolarHBondContact O-N 2.86Å; F41-L149 HydrophobicContact CD1-CD1 4.33Å; F41-L149 HydrophobicContact CE1-CD1 3.31Å; F41-L149 HydrophobicContact CZ-CD1 3.81Å; F41-V151 HydrophobicContact CB-CB 4.49Å; F41-V151 HydrophobicContact CB-CG1 3.98Å; F41-V151 HydrophobicContact CB-CG2 4.17Å; F41-V151 HydrophobicContact CD1-CG2 3.63Å; F41-V151 HydrophobicContact CD2-CB 4.31Å; F41-V151 HydrophobicContact CD2-CG1 3.53Å; F41-V151 HydrophobicContact CD2-CG2 3.75Å; F41-V151 HydrophobicContact CE1-CG2 3.91Å; F41-V151 HydrophobicContact CE2-CG1 4.22Å; F41-V151 HydrophobicContact CE2-CG2 4Å; F41-V151 HydrophobicContact CG-CB 4.25Å; F41-V151 HydrophobicContact CG-CG1 3.82Å; F41-V151 HydrophobicContact CG-CG2 3.55Å; F41-V151 HydrophobicContact CZ-CG2 4.07Å; F41-K160 HydrophobicContact CB-CD 4.3Å; F41-K160 HydrophobicContact CD2-CB 4.4Å; F41-K160 PolarHBondContact O-NZ 3.1Å; F41-K162 HydrophobicContact CE2-CG 3.92Å; F41-K162 HydrophobicContact CZ-CD 4.24Å; F41-K162 HydrophobicContact CZ-CG 3.63Å
42	P	86.2	Confident	75.8	Confident	9 Å²	9	60 Å²	60	6%	0.058	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.5	-167	32.6	-39.1	0	0	0	113.5	P25 V39 P131	P25-P42 HydrophobicContact CB-CG 4.12Å; P25-P42 HydrophobicContact CG-CG 3.79Å; V39-P42 HydrophobicContact CB-CB 4.26Å; V39-P42 HydrophobicContact CG1-CB 3.85Å; P42-P131 HydrophobicContact CB-CG 3.38Å; P42-P131 HydrophobicContact CG-CB 3.99Å; P42-P131 HydrophobicContact CG-CG 3.26Å
43	W	90	Very high	77.2	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.015	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.1	172.5	48.9	77.5	0	0	0	113.7	G23 P25 F41 T57 I58 I133 W205	G23-W43 WeakPolarHBondContact O-CH2 2.91Å; P25-W43 HydrophobicContact CB-CE3 4.42Å; P25-W43 HydrophobicContact CB-CZ3 3.75Å; F41-W43 PolarHBondContact O-N 2.87Å; W43-T57 HydrophobicContact CB-CG2 4.46Å; W43-T57 CarbonylContact O-C 3.59Å; W43-T57 WeakPolarHBondContact O-CA 2.97Å; W43-I58 HydrophobicContact CB-CB 4.32Å; W43-I58 WeakPolarHBondContact O-CG1 3.31Å; W43-I58 PolarHBondContact O-N 3.4Å; W43-I133 HydrophobicContact CB-CB 4.07Å; W43-I133 HydrophobicContact CD2-CB 3.96Å; W43-I133 HydrophobicContact CD2-CD1 3.8Å; W43-I133 HydrophobicContact CD2-CG1 4.39Å; W43-I133 HydrophobicContact CE3-CB 4.38Å; W43-I133 HydrophobicContact CE3-CD1 4.07Å; W43-I133 HydrophobicContact CG-CB 3.77Å; W43-I133 HydrophobicContact CG-CD1 4.38Å; W43-I133 HydrophobicContact CG-CG1 4.5Å; W43-I133 HydrophobicContact CH2-CD1 4.05Å; W43-I133 HydrophobicContact CZ2-CD1 3.75Å; W43-I133 HydrophobicContact CZ3-CD1 4.17Å; W43-W205 HydrophobicContact CH2-CB 3.58Å; W43-W205 AromaticContact CH2-CD1 3.65Å; W43-W205 HydrophobicContact CH2-CD2 4.37Å; W43-W205 AromaticContact CH2-CG 3.59Å; W43-W205 HydrophobicContact CH2-CG 3.59Å; W43-W205 HydrophobicContact CZ2-CB 3.86Å; W43-W205 HydrophobicContact CZ2-CD2 4.31Å; W43-W205 AromaticContact CZ2-CG 3.9Å; W43-W205 HydrophobicContact CZ2-CG 3.9Å; W43-W205 HydrophobicContact CZ3-CB 4.34Å
44	T	92.4	Very high	78.8	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.025	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.6	175.8	-55.4	0	0	0	0	109.4	F41 V55 V151 F153 K160	F41-T44 WeakPolarHBondContact O-CB 3.36Å; F41-T44 PolarHBondContact O-N 2.86Å; T44-V55 HydrophobicContact CG2-CG1 3.65Å; T44-V151 HydrophobicContact CG2-CB 4.31Å; T44-V151 HydrophobicContact CG2-CG1 4Å; T44-F153 HydrophobicContact CG2-CE2 3.94Å; T44-F153 HydrophobicContact CG2-CZ 4.42Å; T44-K160 WeakPolarHBondContact O-CE 3Å; T44-K160 PolarHBondContact O-NZ 2.8Å
45	V	93.6	Very high	80.4	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.8	-178.7	-64.8	0	0	0	0	110.9	V55 G56 I58 V70 I97 V98 F102 F153	V45-V55 WeakPolarHBondContact O-CA 3.15Å; V45-G56 WeakPolarHBondContact CG2-O 3.14Å; V45-G56 PolarHBondContact N-O 3.05Å; V45-G56 PolarHBondContact O-N 2.97Å; V45-I58 HydrophobicContact CG1-CD1 3.63Å; V45-I58 HydrophobicContact CG1-CG1 3.72Å; V45-I58 HydrophobicContact CG2-CG1 4.44Å; V45-V70 HydrophobicContact CG2-CG1 3.55Å; V45-V70 HydrophobicContact CG2-CG2 4.17Å; V45-I97 HydrophobicContact CB-CG2 3.85Å; V45-I97 HydrophobicContact CG1-CG2 4.09Å; V45-I97 HydrophobicContact CG2-CG2 3.88Å; V45-V98 WeakPolarHBondContact CA-O 3.47Å; V45-F102 HydrophobicContact CG1-CE1 4Å; V45-F102 HydrophobicContact CG1-CZ 3.63Å; V45-F153 WeakPolarHBondContact O-CE2 3.25Å
46	L	93.6	Very high	82.3	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118	171.6	-173.9	51.2	0	0	0	108.2	K48 K53 C54 V98 F153 E157 T190	L46-K48 HydrophobicContact CD2-CD 4.33Å; L46-K48 HydrophobicContact CD2-CG 4.3Å; L46-K48 HydrophobicContact CG-CD 4.36Å; L46-K48 HydrophobicContact CG-CG 3.8Å; L46-K53 HydrophobicContact CD1-CB 4.3Å; L46-C54 CarbonylContact C-O 3.52Å; L46-C54 WeakPolarHBondContact CA-O 2.98Å; L46-C54 VanDerWaalsContact CD1-O 3.28Å; L46-C54 WeakPolarHBondContact CD1-O 3.29Å; L46-V98 HydrophobicContact CB-CB 4.39Å; L46-V98 PolarHBondContact N-O 2.99Å; L46-V98 PolarHBondContact O-N 2.64Å; L46-F153 HydrophobicContact CB-CD1 4.39Å; L46-F153 HydrophobicContact CB-CD2 4.23Å; L46-F153 HydrophobicContact CB-CE1 3.97Å; L46-F153 HydrophobicContact CB-CE2 3.8Å; L46-F153 HydrophobicContact CB-CZ 3.66Å; L46-F153 HydrophobicContact CD1-CD2 4.22Å; L46-F153 HydrophobicContact CD1-CG 4.46Å; L46-F153 HydrophobicContact CD2-CD1 4.12Å; L46-F153 HydrophobicContact CD2-CE1 4.38Å; L46-F153 HydrophobicContact CD2-CG 4.29Å; L46-E157 HydrophobicContact CD2-CB 3.58Å; L46-E157 HydrophobicContact CD2-CG 3.71Å; L46-T190 HydrophobicContact CD1-CG2 4.41Å
47	V	94.4	Very high	84.4	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.9	170.9	-174.3	0	0	0	0	106.7	K53 C54 V70 A72 L77 V95 I97 I122	V47-K53 WeakPolarHBondContact O-CA 3.01Å; V47-C54 HydrophobicContact CB-CB 4.26Å; V47-C54 PolarHBondContact N-O 3.24Å; V47-C54 PolarHBondContact O-N 2.87Å; V47-V70 HydrophobicContact CG2-CG1 4.14Å; V47-A72 HydrophobicContact CG2-CB 4.29Å; V47-L77 HydrophobicContact CG1-CD2 4.01Å; V47-V95 HydrophobicContact CG1-CG1 3.84Å; V47-I97 HydrophobicContact CB-CD1 4.21Å; V47-I97 HydrophobicContact CG1-CD1 3.95Å; V47-I97 HydrophobicContact CG2-CD1 3.9Å; V47-I122 HydrophobicContact CG1-CD1 3.94Å; V47-I122 HydrophobicContact CG2-CD1 4.3Å
48	K	92.5	Very high	86.3	Confident	57 Å²	57	33.6 Å²	33.6	25%	0.248	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.3	178.6	-57.5	-166.3	-174.3	-155.5	0	110.2	L46 K53 V95 K96 E157	L46-K48 HydrophobicContact CD2-CD 4.33Å; L46-K48 HydrophobicContact CD2-CG 4.3Å; L46-K48 HydrophobicContact CG-CD 4.36Å; L46-K48 HydrophobicContact CG-CG 3.8Å; K48-K53 HydrophobicContact CG-CG 4.49Å; K48-V95 WeakPolarHBondContact O-CA 3.08Å; K48-K96 HydrophobicContact CB-CB 4.4Å; K48-K96 PolarHBondContact N-O 2.8Å; K48-K96 PolarHBondContact O-N 2.84Å; K48-E157 WeakPolarHBondContact CE-OE2 3.31Å; K48-E157 IonicContact NZ-OE2 3.92Å; K48-E157 PolarHBondContact NZ-OE2 2.93Å
49	T	87.6	Confident	88	Confident	13 Å²	13	27.5 Å²	27.5	8%	0.08	14%	0.141	C	C	.	.			trans	-120.7	174.1	164.4	81.8	0	0	0	0	107.9	K51 T52 L77 E90 V95	T49-K51 PolarHBondContact O-N 2.94Å; T49-K51 PolarHBondContact OG1-N 3.23Å; T49-T52 WeakPolarHBondContact CG2-OG1 2.94Å; T49-T52 PolarHBondContact N-O 2.92Å; T49-T52 PolarHBondContact OG1-N 2.98Å; T49-T52 PolarHBondContact OG1-O 3.43Å; T49-T52 PolarHBondContact OG1-OG1 3.34Å; T49-L77 HydrophobicContact CG2-CD2 3.78Å; T49-E90 HydrophobicContact CG2-CB 4.44Å; T49-E90 HydrophobicContact CG2-CG 4.02Å; T49-V95 HydrophobicContact CG2-CG2 4.35Å
50	P	84.3	Confident	89.4	Confident	92 Å²	92	30.4 Å²	30.4	60%	0.597	15%	0.148	S	C	*	.	S	Bend	trans	-59	-24.1	174	-26.1	36.4	0	0	0	114	L94	P50-L94 HydrophobicContact CG-CB 4.23Å; P50-L94 HydrophobicContact CG-CD1 4.49Å
51	K	82.2	Confident	89.9	Confident	148 Å²	148	27 Å²	27	64%	0.643	13%	0.131	S	C	*	.	S	Bend	trans	-116.8	-28.6	-174.4	-65.9	-152.3	-177.8	177.5	0	114.8	T49	T49-K51 PolarHBondContact O-N 2.94Å; T49-K51 PolarHBondContact OG1-N 3.23Å
52	T	85.6	Confident	90	Very high	36 Å²	36	32.2 Å²	32.2	22%	0.221	16%	0.155	C	C	.	.			trans	-127	150.9	-170	57.6	0	0	0	0	110.4	T49 C76	T49-T52 WeakPolarHBondContact CG2-OG1 2.94Å; T49-T52 PolarHBondContact N-O 2.92Å; T49-T52 PolarHBondContact OG1-N 2.98Å; T49-T52 PolarHBondContact OG1-O 3.43Å; T49-T52 PolarHBondContact OG1-OG1 3.34Å; T52-C76 PolarHBondContact OG1-O 2.8Å
53	K	89	Confident	89.7	Confident	100 Å²	100	32.5 Å²	32.5	44%	0.435	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.2	173.3	-59.2	179.3	-172.6	169.9	0	107.9	L46 V47 K48 E157 T190	L46-K53 HydrophobicContact CD1-CB 4.3Å; V47-K53 WeakPolarHBondContact O-CA 3.01Å; K48-K53 HydrophobicContact CG-CG 4.49Å; K53-E157 VanDerWaalsContact CD-CD 3.43Å; K53-E157 WeakPolarHBondContact CD-OE1 3.01Å; K53-E157 WeakPolarHBondContact CD-OE2 2.9Å; K53-E157 VanDerWaalsContact CE-OE1 3.32Å; K53-E157 WeakPolarHBondContact CE-OE1 3.13Å; K53-E157 VanDerWaalsContact NZ-CD 3.3Å; K53-E157 IonicContact NZ-OE1 2.71Å; K53-E157 PolarHBondContact NZ-OE1 2.82Å; K53-E157 IonicContact NZ-OE2 3.54Å; K53-E157 PolarHBondContact NZ-OE2 2.72Å; K53-T190 HydrophobicContact CB-CG2 4.38Å; K53-T190 VanDerWaalsContact O-CG2 3.25Å; K53-T190 WeakPolarHBondContact O-CG2 3.36Å
54	C	91.1	Very high	89.3	Confident	3 Å²	3	44 Å²	44	2%	0.02	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	160.8	-178	-87.5	0	0	0	0	111.4	L46 V47 C76 T190	L46-C54 CarbonylContact C-O 3.52Å; L46-C54 WeakPolarHBondContact CA-O 2.98Å; L46-C54 VanDerWaalsContact CD1-O 3.28Å; L46-C54 WeakPolarHBondContact CD1-O 3.29Å; V47-C54 HydrophobicContact CB-CB 4.26Å; V47-C54 PolarHBondContact N-O 3.24Å; V47-C54 PolarHBondContact O-N 2.87Å; C54-C76 HydrophobicContact CB-CB 3.46Å; C54-C76 VanDerWaalsContact CB-CB 3.46Å; C54-C76 WeakPolarHBondContact CB-SG 3.23Å; C54-C76 WeakPolarHBondContact SG-CA 3.42Å; C54-C76 WeakPolarHBondContact SG-CB 3.26Å; C54-C76 CovalentContact SG-SG 2.03Å; C54-C76 PolarHBondContact SG-SG 2.98Å; C54-T190 VanDerWaalsContact CA-CG2 3.49Å
55	V	92.3	Very high	88.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.8	163.9	-170.6	0	0	0	0	109.2	T44 V45 F153 T190 E192 G193 Q194	T44-V55 HydrophobicContact CG2-CG1 3.65Å; V45-V55 WeakPolarHBondContact O-CA 3.15Å; V55-F153 HydrophobicContact CG1-CE2 4.39Å; V55-F153 HydrophobicContact CG2-CD2 4.04Å; V55-T190 HydrophobicContact CG2-CG2 4.26Å; V55-T190 WeakPolarHBondContact CG2-O 3.47Å; V55-E192 WeakPolarHBondContact CA-O 3.49Å; V55-E192 WeakPolarHBondContact CB-O 3.42Å; V55-E192 PolarHBondContact N-O 2.89Å; V55-G193 CarbonylContact O-C 3.56Å; V55-G193 WeakPolarHBondContact O-CA 3.38Å; V55-Q194 HydrophobicContact CB-CG 4.25Å; V55-Q194 HydrophobicContact CG1-CG 4.43Å; V55-Q194 HydrophobicContact CG2-CG 3.89Å
56	G	94.9	Very high	88.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	164.7	168.4	0	0	0	0	0	110.1	V45 L71	V45-G56 WeakPolarHBondContact CG2-O 3.14Å; V45-G56 PolarHBondContact N-O 3.05Å; V45-G56 PolarHBondContact O-N 2.97Å; G56-L71 CarbonylContact C-O 3.46Å; G56-L71 VanDerWaalsContact CA-O 3.32Å; G56-L71 WeakPolarHBondContact CA-O 3.46Å
57	T	94.6	Very high	88	Confident	2 Å²	2	53 Å²	53	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.8	178.5	-58.9	0	0	0	0	110.5	W43 V59 V70 L71 I133 L207	W43-T57 HydrophobicContact CB-CG2 4.46Å; W43-T57 CarbonylContact O-C 3.59Å; W43-T57 WeakPolarHBondContact O-CA 2.97Å; T57-V59 PolarHBondContact O-N 2.89Å; T57-V70 WeakPolarHBondContact O-CA 3.46Å; T57-L71 PolarHBondContact N-O 2.94Å; T57-L71 PolarHBondContact O-N 3.27Å; T57-I133 HydrophobicContact CG2-CB 4.36Å; T57-I133 HydrophobicContact CG2-CG2 3.51Å; T57-L207 HydrophobicContact CG2-CD1 4.29Å; T57-L207 HydrophobicContact CG2-CD2 4.15Å
58	I	94.1	Very high	87.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.5	176.4	-54.2	172.9	0	0	0	109.4	W43 V45 P68 L69 V70 F102 Y128 A132 I133	W43-I58 HydrophobicContact CB-CB 4.32Å; W43-I58 WeakPolarHBondContact O-CG1 3.31Å; W43-I58 PolarHBondContact O-N 3.4Å; V45-I58 HydrophobicContact CG1-CD1 3.63Å; V45-I58 HydrophobicContact CG1-CG1 3.72Å; V45-I58 HydrophobicContact CG2-CG1 4.44Å; I58-P68 HydrophobicContact CG2-CB 4.41Å; I58-L69 CarbonylContact C-O 3.47Å; I58-L69 WeakPolarHBondContact CA-O 3.32Å; I58-V70 HydrophobicContact CG1-CG2 4.33Å; I58-F102 HydrophobicContact CD1-CE1 3.89Å; I58-F102 HydrophobicContact CD1-CZ 3.62Å; I58-Y128 HydrophobicContact CD1-CD1 4.43Å; I58-Y128 HydrophobicContact CD1-CD2 4.5Å; I58-Y128 HydrophobicContact CD1-CE1 3.7Å; I58-Y128 HydrophobicContact CD1-CE2 3.79Å; I58-Y128 WeakPolarHBondContact CD1-OH 3.37Å; I58-Y128 HydrophobicContact CG2-CD1 4.08Å; I58-Y128 HydrophobicContact CG2-CE1 3.76Å; I58-A132 HydrophobicContact CG2-CB 3.93Å; I58-A132 WeakPolarHBondContact O-CA 3.41Å; I58-I133 WeakPolarHBondContact O-CG2 3.32Å; I58-I133 PolarHBondContact O-N 3.09Å
59	V	92.5	Very high	87.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	162.6	173.8	-62.2	0	0	0	0	109.6	T57 P68 L69 L71 I133 V135 L207 I230	T57-V59 PolarHBondContact O-N 2.89Å; V59-P68 WeakPolarHBondContact O-CA 3.22Å; V59-L69 HydrophobicContact CG2-CB 4.27Å; V59-L69 PolarHBondContact N-O 3.28Å; V59-L69 PolarHBondContact O-N 3.02Å; V59-L71 HydrophobicContact CG2-CB 4.31Å; V59-I133 HydrophobicContact CG1-CG2 3.8Å; V59-V135 HydrophobicContact CB-CG2 4.05Å; V59-V135 HydrophobicContact CG1-CG2 3.61Å; V59-L207 HydrophobicContact CG1-CD2 3.94Å; V59-I230 HydrophobicContact CG2-CD1 4.29Å; V59-I230 HydrophobicContact CG2-CG1 4.34Å; V59-I230 HydrophobicContact CG2-CG2 3.89Å
60	R	90.1	Very high	88.2	Confident	92 Å²	92	50.8 Å²	50.8	35%	0.347	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136	169.4	-76.2	175.8	-179.2	-94.3	3.3	109.8	N66 G130 A132	R60-N66 WeakPolarHBondContact CG-O 3.31Å; R60-N66 PolarHBondContact NH1-O 2.85Å; R60-G130 PolarHBondContact NH2-O 2.8Å; R60-A132 HydrophobicContact CB-CB 4.47Å; R60-A132 HydrophobicContact CG-CB 3.62Å
61	A	85.3	Confident	88.7	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	21%	0.212	C	C	.	.			trans	-71.4	146.4	169.9	0	0	0	0	0	111.2	D63 N66 T67 I230 A234	A61-D63 HydrophobicContact CB-CB 4.39Å; A61-D63 PolarHBondContact O-N 2.89Å; A61-N66 WeakPolarHBondContact O-CA 2.84Å; A61-T67 PolarHBondContact N-O 2.78Å; A61-I230 HydrophobicContact CB-CG2 4.2Å; A61-A234 HydrophobicContact CB-CB 3.33Å
62	E	84.4	Confident	89.2	Confident	113 Å²	113	39.6 Å²	39.6	53%	0.528	18%	0.182	S	C	.	.	S	Bend	trans	-81	54.8	167.8	-61.6	179.9	167.2	0	0	109.9	T231	E62-T231 HydrophobicContact CB-CG2 4.46Å; E62-T231 PolarHBondContact N-OG1 2.92Å; E62-T231 VanDerWaalsContact N-OG1 3.09Å; E62-T231 VanDerWaalsContact O-CG2 3.26Å; E62-T231 WeakPolarHBondContact O-CG2 3.48Å
63	D	80.1	Confident	89.4	Confident	15 Å²	15	37.9 Å²	37.9	8%	0.08	17%	0.171	C	C	.	.	S	Bend	trans	-105.2	178	170.9	72.3	4.8	0	0	0	110.7	A61 N65 N66 T67 A234 R235	A61-D63 HydrophobicContact CB-CB 4.39Å; A61-D63 PolarHBondContact O-N 2.89Å; D63-N65 PolarHBondContact O-N 3.37Å; D63-N65 VanDerWaalsContact O-N 3.15Å; D63-N65 PolarHBondContact OD1-N 2.88Å; D63-N65 VanDerWaalsContact OD1-N 3.09Å; D63-N66 PolarHBondContact O-N 2.86Å; D63-N66 WeakPolarHBondContact OD1-CA 3.03Å; D63-N66 PolarHBondContact OD1-N 3.13Å; D63-T67 PolarHBondContact OD1-N 2.8Å; D63-T67 PolarHBondContact OD1-OG1 3.11Å; D63-T67 VanDerWaalsContact OD2-CB 3.25Å; D63-T67 WeakPolarHBondContact OD2-CB 3.34Å; D63-T67 PolarHBondContact OD2-OG1 2.81Å; D63-A234 WeakPolarHBondContact OD2-CB 3.4Å; D63-R235 HydrophobicContact CB-CG 4.26Å
64	R	81.1	Confident	89.2	Confident	245 Å²	245	33.3 Å²	33.3	93%	0.925	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.9	-177.7	-174.5	176	177.3	178.3	-0.3	113
65	N	81.7	Confident	88.9	Confident	97 Å²	97	35.9 Å²	35.9	52%	0.519	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-0.2	-172.8	-62.6	-29	0	0	0	112.7	D63 T67 E238	D63-N65 PolarHBondContact O-N 3.37Å; D63-N65 VanDerWaalsContact O-N 3.15Å; D63-N65 PolarHBondContact OD1-N 2.88Å; D63-N65 VanDerWaalsContact OD1-N 3.09Å; N65-T67 PolarHBondContact O-N 3.22Å; N65-E238 PolarHBondContact ND2-OE1 2.97Å
66	N	83.3	Confident	88.6	Confident	90 Å²	90	35.9 Å²	35.9	48%	0.481	16%	0.164	S	C	.	.			trans	46.2	47.2	-168.4	-66.9	-51.1	0	0	0	111.6	R60 A61 D63	R60-N66 WeakPolarHBondContact CG-O 3.31Å; R60-N66 PolarHBondContact NH1-O 2.85Å; A61-N66 WeakPolarHBondContact O-CA 2.84Å; D63-N66 PolarHBondContact O-N 2.86Å; D63-N66 WeakPolarHBondContact OD1-CA 3.03Å; D63-N66 PolarHBondContact OD1-N 3.13Å
67	T	86.9	Confident	88.1	Confident	8 Å²	8	35.9 Å²	35.9	5%	0.049	16%	0.164	C	C	.	.			trans	-55.7	121.5	-168.1	-63	0	0	0	0	110.7	A61 D63 N65 L69 A234	A61-T67 PolarHBondContact N-O 2.78Å; D63-T67 PolarHBondContact OD1-N 2.8Å; D63-T67 PolarHBondContact OD1-OG1 3.11Å; D63-T67 VanDerWaalsContact OD2-CB 3.25Å; D63-T67 WeakPolarHBondContact OD2-CB 3.34Å; D63-T67 PolarHBondContact OD2-OG1 2.81Å; N65-T67 PolarHBondContact O-N 3.22Å; T67-L69 HydrophobicContact CG2-CD2 4.15Å; T67-L69 HydrophobicContact CG2-CG 4.49Å; T67-A234 HydrophobicContact CG2-CB 4.23Å
68	P	90.6	Very high	87.3	Confident	25 Å²	25	37.9 Å²	37.9	16%	0.162	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.3	175.7	30.2	-33.3	0	0	0	110.2	I58 V59 Y128	I58-P68 HydrophobicContact CG2-CB 4.41Å; V59-P68 WeakPolarHBondContact O-CA 3.22Å; P68-Y128 HydrophobicContact CB-CD1 3.88Å; P68-Y128 HydrophobicContact CB-CG 4.49Å; P68-Y128 HydrophobicContact CG-CD1 4.36Å
69	L	92.7	Very high	86.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.6	175.7	-62.5	179.2	0	0	0	109.3	I58 V59 T67 F121 I122 K123 I230 A233 A234 M237	I58-L69 CarbonylContact C-O 3.47Å; I58-L69 WeakPolarHBondContact CA-O 3.32Å; V59-L69 HydrophobicContact CG2-CB 4.27Å; V59-L69 PolarHBondContact N-O 3.28Å; V59-L69 PolarHBondContact O-N 3.02Å; T67-L69 HydrophobicContact CG2-CD2 4.15Å; T67-L69 HydrophobicContact CG2-CG 4.49Å; L69-F121 HydrophobicContact CD1-CB 4.35Å; L69-F121 HydrophobicContact CD1-CD1 4.44Å; L69-I122 WeakPolarHBondContact CA-O 3.43Å; L69-K123 HydrophobicContact CD2-CB 4.06Å; L69-K123 HydrophobicContact CD2-CG 4.45Å; L69-I230 HydrophobicContact CD1-CG2 4.4Å; L69-A233 HydrophobicContact CD1-CB 4.32Å; L69-A234 HydrophobicContact CD1-CB 3.88Å; L69-A234 HydrophobicContact CG-CB 4.49Å; L69-M237 HydrophobicContact CD1-CE 3.82Å; L69-M237 HydrophobicContact CD2-CE 3.45Å; L69-M237 VanDerWaalsContact CD2-CE 3.45Å; L69-M237 HydrophobicContact CD2-SD 4.43Å; L69-M237 HydrophobicContact CG-CE 4.29Å
70	V	95.2	Very high	84.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.2	164.6	-176.4	0	0	0	0	108.2	V45 V47 T57 I58 I97 F121 I122 L124	V45-V70 HydrophobicContact CG2-CG1 3.55Å; V45-V70 HydrophobicContact CG2-CG2 4.17Å; V47-V70 HydrophobicContact CG2-CG1 4.14Å; T57-V70 WeakPolarHBondContact O-CA 3.46Å; I58-V70 HydrophobicContact CG1-CG2 4.33Å; V70-I97 HydrophobicContact CG2-CD1 4.48Å; V70-I97 HydrophobicContact CG2-CG1 4.38Å; V70-I97 HydrophobicContact CG2-CG2 3.91Å; V70-F121 CarbonylContact O-C 3.51Å; V70-F121 WeakPolarHBondContact O-CA 3.41Å; V70-I122 HydrophobicContact CB-CB 4.1Å; V70-I122 HydrophobicContact CB-CD1 4.49Å; V70-I122 PolarHBondContact N-O 3.42Å; V70-I122 PolarHBondContact O-N 2.81Å; V70-L124 HydrophobicContact CG2-CD2 4.01Å; V70-L124 HydrophobicContact CG2-CG 4.5Å
71	L	94.4	Very high	83.5	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.8	167.8	170.5	62.6	0	0	0	109.1	G56 T57 V59 V119 F121 L207 F210 I223 L226	G56-L71 CarbonylContact C-O 3.46Å; G56-L71 VanDerWaalsContact CA-O 3.32Å; G56-L71 WeakPolarHBondContact CA-O 3.46Å; T57-L71 PolarHBondContact N-O 2.94Å; T57-L71 PolarHBondContact O-N 3.27Å; V59-L71 HydrophobicContact CG2-CB 4.31Å; L71-V119 HydrophobicContact CD1-CB 4.16Å; L71-F121 HydrophobicContact CB-CD1 4.5Å; L71-F121 HydrophobicContact CB-CE1 4.47Å; L71-F121 HydrophobicContact CD1-CD1 4.12Å; L71-F121 HydrophobicContact CD1-CE1 3.6Å; L71-F121 HydrophobicContact CD1-CZ 4Å; L71-F121 HydrophobicContact CG-CE1 4.49Å; L71-L207 HydrophobicContact CD2-CD2 4.13Å; L71-F210 HydrophobicContact CD1-CE1 4.3Å; L71-F210 HydrophobicContact CD2-CD1 4.07Å; L71-F210 HydrophobicContact CD2-CE1 4.07Å; L71-F210 HydrophobicContact CG-CD1 4.44Å; L71-F210 HydrophobicContact CG-CE1 4.3Å; L71-I223 HydrophobicContact CD2-CD1 3.44Å; L71-I223 VanDerWaalsContact CD2-CD1 3.44Å; L71-L226 HydrophobicContact CD1-CD1 4.37Å; L71-L226 HydrophobicContact CD2-CD1 4.36Å
72	A	93.6	Very high	82.2	Confident	1 Å²	1	53 Å²	53	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.5	172.9	0	0	0	0	0	111.4	V47 C76 V120	V47-A72 HydrophobicContact CG2-CB 4.29Å; A72-C76 HydrophobicContact CB-CB 4.46Å; A72-V120 HydrophobicContact CB-CG2 3.96Å; A72-V120 PolarHBondContact N-O 3.05Å; A72-V120 WeakPolarHBondContact O-CG2 3.19Å; A72-V120 PolarHBondContact O-N 3.32Å
73	P	89.7	Confident	81.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	145.3	166	-20.8	29.4	0	0	0	112	Q75 C76 Y117 V120 F210	P73-Q75 VanDerWaalsContact CB-OE1 3.24Å; P73-Q75 PolarHBondContact O-N 3.44Å; P73-C76 VanDerWaalsContact O-CB 3.23Å; P73-C76 WeakPolarHBondContact O-CB 3.26Å; P73-C76 PolarHBondContact O-N 2.93Å; P73-C76 PolarHBondContact O-SG 3.09Å; P73-Y117 HydrophobicContact CB-CE1 4.18Å; P73-V120 WeakPolarHBondContact O-CG2 3.42Å; P73-F210 HydrophobicContact CB-CE2 4.31Å; P73-F210 HydrophobicContact CG-CD2 3.86Å; P73-F210 HydrophobicContact CG-CE2 3.78Å
74	S	85.1	Confident	80	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.021	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-61.8	-31.1	178.3	63.6	0	0	0	0	114.1	C76 L77 L78 P118	S74-C76 PolarHBondContact O-N 2.77Å; S74-L77 CarbonylContact O-C 3.53Å; S74-L77 PolarHBondContact O-N 3.47Å; S74-L78 WeakPolarHBondContact O-CB 3.34Å; S74-L78 WeakPolarHBondContact O-CG 3.2Å; S74-L78 PolarHBondContact O-N 3.26Å; S74-P118 WeakPolarHBondContact CB-O 3.39Å; S74-P118 PolarHBondContact N-O 3.4Å; S74-P118 WeakPolarHBondContact OG-CB 3.35Å; S74-P118 PolarHBondContact OG-O 3.33Å
75	Q	83.2	Confident	79	Confident	57 Å²	57	54.8 Å²	54.8	27%	0.266	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.7	-20.9	178.5	-62.8	84.5	-7.9	0	0	112.5	P73 L77 Y117 K213	P73-Q75 VanDerWaalsContact CB-OE1 3.24Å; P73-Q75 PolarHBondContact O-N 3.44Å; Q75-L77 PolarHBondContact O-N 2.93Å; Q75-Y117 PolarHBondContact NE2-OH 2.91Å; Q75-Y117 PolarHBondContact OE1-OH 2.75Å; Q75-K213 PolarHBondContact NE2-O 3.35Å
76	C	87	Confident	77.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.007	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65	-29.2	174.9	-57.6	0	0	0	0	112.9	T52 C54 A72 P73 S74	T52-C76 PolarHBondContact OG1-O 2.8Å; C54-C76 HydrophobicContact CB-CB 3.46Å; C54-C76 VanDerWaalsContact CB-CB 3.46Å; C54-C76 WeakPolarHBondContact CB-SG 3.23Å; C54-C76 WeakPolarHBondContact SG-CA 3.42Å; C54-C76 WeakPolarHBondContact SG-CB 3.26Å; C54-C76 CovalentContact SG-SG 2.03Å; C54-C76 PolarHBondContact SG-SG 2.98Å; A72-C76 HydrophobicContact CB-CB 4.46Å; P73-C76 VanDerWaalsContact O-CB 3.23Å; P73-C76 WeakPolarHBondContact O-CB 3.26Å; P73-C76 PolarHBondContact O-N 2.93Å; P73-C76 PolarHBondContact O-SG 3.09Å; S74-C76 PolarHBondContact O-N 2.77Å
77	L	84.5	Confident	76.8	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-14.8	-176.5	-56.4	-174.9	0	0	0	113.1	V47 T49 S74 Q75 L89 E90 V95 V109 V120 I122	V47-L77 HydrophobicContact CG1-CD2 4.01Å; T49-L77 HydrophobicContact CG2-CD2 3.78Å; S74-L77 CarbonylContact O-C 3.53Å; S74-L77 PolarHBondContact O-N 3.47Å; Q75-L77 PolarHBondContact O-N 2.93Å; L77-L89 HydrophobicContact CB-CD1 3.63Å; L77-L89 CarbonylContact O-C 3.6Å; L77-L89 WeakPolarHBondContact O-CA 3.48Å; L77-E90 HydrophobicContact CB-CB 4.34Å; L77-E90 HydrophobicContact CD2-CB 4.36Å; L77-E90 WeakPolarHBondContact O-CG 3.44Å; L77-E90 PolarHBondContact O-N 2.86Å; L77-V95 HydrophobicContact CD2-CB 4.34Å; L77-V95 HydrophobicContact CD2-CG1 3.77Å; L77-V95 HydrophobicContact CD2-CG2 3.56Å; L77-V109 HydrophobicContact CD1-CB 4.41Å; L77-V109 HydrophobicContact CD1-CG1 3.52Å; L77-V109 HydrophobicContact CD1-CG2 3.94Å; L77-V120 HydrophobicContact CD1-CB 4.05Å; L77-V120 HydrophobicContact CD1-CG1 4.17Å; L77-V120 HydrophobicContact CD1-CG2 3.86Å; L77-V120 HydrophobicContact CG-CG2 4.14Å; L77-I122 HydrophobicContact CD1-CD1 3.93Å; L77-I122 HydrophobicContact CD1-CG1 4.06Å
78	L	78.1	Confident	75.8	Confident	44 Å²	44	55.4 Å²	55.4	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.4	174	-69.4	-179.8	0	0	0	109.8	S74 T87 R88 L89 L111	S74-L78 WeakPolarHBondContact O-CB 3.34Å; S74-L78 WeakPolarHBondContact O-CG 3.2Å; S74-L78 PolarHBondContact O-N 3.26Å; L78-T87 HydrophobicContact CB-CG2 3.83Å; L78-T87 HydrophobicContact CD1-CG2 4.33Å; L78-T87 HydrophobicContact CD2-CG2 3.96Å; L78-T87 HydrophobicContact CG-CG2 4.25Å; L78-R88 CarbonylContact C-O 3.57Å; L78-R88 WeakPolarHBondContact CA-O 3.39Å; L78-L89 HydrophobicContact CD2-CB 4.33Å; L78-L89 HydrophobicContact CD2-CD1 3.8Å; L78-L89 HydrophobicContact CG-CD1 4.39Å; L78-L111 HydrophobicContact CD1-CD1 4.4Å; L78-L111 HydrophobicContact CD2-CD2 4.09Å
79	R	70.6	Confident	74.9	Confident	67 Å²	67	54.5 Å²	54.5	25%	0.253	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.8	177.6	-75.3	174.3	49	-174.8	-13.2	109.8	T87 R88 E90	R79-T87 CarbonylContact O-C 3.54Å; R79-T87 VanDerWaalsContact O-CA 3.31Å; R79-T87 WeakPolarHBondContact O-CA 3.4Å; R79-R88 PolarHBondContact N-O 3.35Å; R79-R88 PolarHBondContact O-N 3.21Å; R79-E90 VanDerWaalsContact CD-CD 3.43Å; R79-E90 WeakPolarHBondContact CD-OE1 3.37Å; R79-E90 HydrophobicContact CG-CG 4.38Å; R79-E90 IonicContact CZ-OE1 2.69Å; R79-E90 IonicContact NE-OE1 2.7Å; R79-E90 IonicContact NH1-OE1 2.9Å; R79-E90 PolarHBondContact NH1-OE1 3.28Å; R79-E90 IonicContact NH1-OE2 3.78Å
80	E	66	Low	73.9	Confident	153 Å²	153	54.9 Å²	54.9	72%	0.715	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.9	164.1	-66.8	175.8	179.8	0	0	107.7
81	D	60.8	Low	72.8	Confident	40 Å²	40	56.5 Å²	56.5	21%	0.214	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	96.4	166.2	-168.8	-15.9	0	0	0	107.6	S83 R84 N85 E86 R88	D81-S83 PolarHBondContact O-N 3.21Å; D81-S83 WeakPolarHBondContact OD1-CB 3.33Å; D81-S83 PolarHBondContact OD1-N 3.06Å; D81-S83 PolarHBondContact OD1-OG 3.36Å; D81-R84 PolarHBondContact O-N 2.88Å; D81-N85 PolarHBondContact O-N 3.02Å; D81-E86 PolarHBondContact N-O 3.49Å; D81-R88 IonicContact OD2-CZ 2.92Å; D81-R88 IonicContact OD2-NE 3.68Å; D81-R88 IonicContact OD2-NH1 3.49Å; D81-R88 PolarHBondContact OD2-NH1 3.26Å; D81-R88 IonicContact OD2-NH2 3.09Å; D81-R88 PolarHBondContact OD2-NH2 2.69Å; D81-R88 VanDerWaalsContact OD2-NH2 3.09Å
82	D	57.6	Low	72.2	Confident	151 Å²	151	56.6 Å²	56.6	81%	0.807	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.2	-179.8	-58.9	-31.4	0	0	0	112.3
83	S	60.4	Low	71.5	Confident	94 Å²	94	59.2 Å²	59.2	66%	0.657	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.5	179.8	73	0	0	0	0	114.1	D81	D81-S83 PolarHBondContact O-N 3.21Å; D81-S83 WeakPolarHBondContact OD1-CB 3.33Å; D81-S83 PolarHBondContact OD1-N 3.06Å; D81-S83 PolarHBondContact OD1-OG 3.36Å
84	R	57.1	Low	71.2	Confident	150 Å²	150	62.9 Å²	62.9	57%	0.566	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	-1.4	-174.8	-61.4	-161.6	-172.6	-179.9	-7.8	115	D81 E86 N259	D81-R84 PolarHBondContact O-N 2.88Å; R84-E86 HydrophobicContact CB-CB 4.28Å; R84-E86 HydrophobicContact CB-CG 4.1Å; R84-E86 WeakPolarHBondContact CB-OE2 3.12Å; R84-E86 PolarHBondContact O-N 3.05Å; R84-N259 PolarHBondContact NH1-OD1 2.81Å
85	N	60.2	Low	71.4	Confident	165 Å²	165	62.8 Å²	62.8	88%	0.882	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	37.5	-174.8	-154.7	24.8	0	0	0	112.1	D81	D81-N85 PolarHBondContact O-N 3.02Å
86	E	58.1	Low	72	Confident	74 Å²	74	65.3 Å²	65.3	35%	0.346	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.9	-176	-75.3	172	155.8	0	0	110.5	D81 R84 R88 N259	D81-E86 PolarHBondContact N-O 3.49Å; R84-E86 HydrophobicContact CB-CB 4.28Å; R84-E86 HydrophobicContact CB-CG 4.1Å; R84-E86 WeakPolarHBondContact CB-OE2 3.12Å; R84-E86 PolarHBondContact O-N 3.05Å; E86-R88 IonicContact OE2-NH2 3.55Å; E86-N259 PolarHBondContact OE2-ND2 2.63Å; E86-N259 PolarHBondContact OE2-OD1 3.42Å
87	T	61.9	Low	72.3	Confident	77 Å²	77	65.2 Å²	65.2	47%	0.472	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.7	170.8	-42.5	0	0	0	0	110.2	L78 R79	L78-T87 HydrophobicContact CB-CG2 3.83Å; L78-T87 HydrophobicContact CD1-CG2 4.33Å; L78-T87 HydrophobicContact CD2-CG2 3.96Å; L78-T87 HydrophobicContact CG-CG2 4.25Å; R79-T87 CarbonylContact O-C 3.54Å; R79-T87 VanDerWaalsContact O-CA 3.31Å; R79-T87 WeakPolarHBondContact O-CA 3.4Å
88	R	65.1	Low	72.7	Confident	58 Å²	58	67.1 Å²	67.1	22%	0.219	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.9	177.9	-63.7	-176.2	179.1	161.7	4.2	110.9	L78 R79 D81 E86 N259	L78-R88 CarbonylContact C-O 3.57Å; L78-R88 WeakPolarHBondContact CA-O 3.39Å; R79-R88 PolarHBondContact N-O 3.35Å; R79-R88 PolarHBondContact O-N 3.21Å; D81-R88 IonicContact OD2-CZ 2.92Å; D81-R88 IonicContact OD2-NE 3.68Å; D81-R88 IonicContact OD2-NH1 3.49Å; D81-R88 PolarHBondContact OD2-NH1 3.26Å; D81-R88 IonicContact OD2-NH2 3.09Å; D81-R88 PolarHBondContact OD2-NH2 2.69Å; D81-R88 VanDerWaalsContact OD2-NH2 3.09Å; E86-R88 IonicContact OE2-NH2 3.55Å; R88-N259 HydrophobicContact CG-CB 4.48Å; R88-N259 VanDerWaalsContact CZ-CB 3.45Å; R88-N259 PolarHBondContact NE-ND2 3Å; R88-N259 PolarHBondContact NH2-OD1 2.77Å
89	L	71.2	Confident	73.2	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.3	167.8	-168.3	70.7	0	0	0	109.7	L77 L78 V109 V120 Y276	L77-L89 HydrophobicContact CB-CD1 3.63Å; L77-L89 CarbonylContact O-C 3.6Å; L77-L89 WeakPolarHBondContact O-CA 3.48Å; L78-L89 HydrophobicContact CD2-CB 4.33Å; L78-L89 HydrophobicContact CD2-CD1 3.8Å; L78-L89 HydrophobicContact CG-CD1 4.39Å; L89-V109 HydrophobicContact CD1-CG1 4.45Å; L89-V109 HydrophobicContact CD2-CB 4.34Å; L89-V109 HydrophobicContact CD2-CG1 3.93Å; L89-V120 HydrophobicContact CD1-CG1 4.34Å; L89-Y276 HydrophobicContact CB-CD1 4.41Å; L89-Y276 HydrophobicContact CB-CD2 3.99Å; L89-Y276 HydrophobicContact CB-CE1 4.01Å; L89-Y276 HydrophobicContact CB-CE2 3.55Å; L89-Y276 HydrophobicContact CB-CG 4.4Å; L89-Y276 HydrophobicContact CD2-CD2 3.36Å; L89-Y276 HydrophobicContact CD2-CE2 3.47Å; L89-Y276 VanDerWaalsContact CD2-CE2 3.47Å; L89-Y276 HydrophobicContact CD2-CG 4.17Å; L89-Y276 HydrophobicContact CG-CD2 4.28Å; L89-Y276 HydrophobicContact CG-CE2 4.16Å
90	E	72.3	Confident	73.5	Confident	9 Å²	9	64.9 Å²	64.9	4%	0.042	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.4	142.9	174.7	-78.5	-76.8	-160.6	0	0	112.1	T49 L77 R79 V95	T49-E90 HydrophobicContact CG2-CB 4.44Å; T49-E90 HydrophobicContact CG2-CG 4.02Å; L77-E90 HydrophobicContact CB-CB 4.34Å; L77-E90 HydrophobicContact CD2-CB 4.36Å; L77-E90 WeakPolarHBondContact O-CG 3.44Å; L77-E90 PolarHBondContact O-N 2.86Å; R79-E90 VanDerWaalsContact CD-CD 3.43Å; R79-E90 WeakPolarHBondContact CD-OE1 3.37Å; R79-E90 HydrophobicContact CG-CG 4.38Å; R79-E90 IonicContact CZ-OE1 2.69Å; R79-E90 IonicContact NE-OE1 2.7Å; R79-E90 IonicContact NH1-OE1 2.9Å; R79-E90 PolarHBondContact NH1-OE1 3.28Å; R79-E90 IonicContact NH1-OE2 3.78Å; E90-V95 HydrophobicContact CB-CG2 4.04Å
91	I	72	Confident	74.1	Confident	33 Å²	33	64 Å²	64	17%	0.169	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-70.3	131.9	178.7	-54.8	175.9	0	0	0	108.4	S93 L94 Q261 E278	I91-S93 VanDerWaalsContact C-N 3.3Å; I91-S93 PolarHBondContact O-N 3.2Å; I91-S93 VanDerWaalsContact O-N 3.13Å; I91-L94 HydrophobicContact CB-CD1 4.19Å; I91-L94 HydrophobicContact CB-CG 4.23Å; I91-L94 HydrophobicContact CD1-CD1 4.3Å; I91-L94 HydrophobicContact CG1-CD1 4.43Å; I91-L94 WeakPolarHBondContact O-CB 3.43Å; I91-L94 PolarHBondContact O-N 3.18Å; I91-Q261 VanDerWaalsContact CD1-NE2 3.32Å; I91-E278 HydrophobicContact CG2-CB 4.38Å; I91-E278 HydrophobicContact CG2-CG 3.78Å
92	P	80.9	Confident	75.4	Confident	6 Å²	6	64.5 Å²	64.5	4%	0.039	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-49.5	-40.9	-176.5	-30.3	35.1	0	0	0	115.6	L94 V95 A106 V109	P92-L94 PolarHBondContact O-N 3.28Å; P92-V95 WeakPolarHBondContact O-CB 3.34Å; P92-V95 PolarHBondContact O-N 2.86Å; P92-A106 CarbonylContact C-O 3.59Å; P92-A106 HydrophobicContact CB-CB 4.07Å; P92-A106 VanDerWaalsContact CB-O 3.31Å; P92-A106 WeakPolarHBondContact CB-O 3.1Å; P92-A106 WeakPolarHBondContact O-CB 3.39Å; P92-V109 HydrophobicContact CB-CG2 4.45Å; P92-V109 HydrophobicContact CG-CG2 4.15Å
93	S	80.1	Confident	76.9	Confident	56 Å²	56	60.1 Å²	60.1	39%	0.392	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-66.3	-21.5	177.6	49.2	0	0	0	0	115.5	I91 V95 E278	I91-S93 VanDerWaalsContact C-N 3.3Å; I91-S93 PolarHBondContact O-N 3.2Å; I91-S93 VanDerWaalsContact O-N 3.13Å; S93-V95 VanDerWaalsContact C-N 3.26Å; S93-E278 WeakPolarHBondContact CB-OE1 3.49Å; S93-E278 VanDerWaalsContact OG-CD 3.29Å; S93-E278 PolarHBondContact OG-OE1 3.5Å
94	L	84.1	Confident	78.5	Confident	78 Å²	78	55.9 Å²	55.9	41%	0.408	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-82.7	-9	173.1	-58.5	-179.3	0	0	0	112	P50 I91 P92	P50-L94 HydrophobicContact CG-CB 4.23Å; P50-L94 HydrophobicContact CG-CD1 4.49Å; I91-L94 HydrophobicContact CB-CD1 4.19Å; I91-L94 HydrophobicContact CB-CG 4.23Å; I91-L94 HydrophobicContact CD1-CD1 4.3Å; I91-L94 HydrophobicContact CG1-CD1 4.43Å; I91-L94 WeakPolarHBondContact O-CB 3.43Å; I91-L94 PolarHBondContact O-N 3.18Å; P92-L94 PolarHBondContact O-N 3.28Å
95	V	88.7	Confident	80.1	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.			trans	-95.4	109.3	-179.9	-174.9	0	0	0	0	109.9	V47 K48 T49 L77 E90 P92 S93 I97 A105 A106 I122	V47-V95 HydrophobicContact CG1-CG1 3.84Å; K48-V95 WeakPolarHBondContact O-CA 3.08Å; T49-V95 HydrophobicContact CG2-CG2 4.35Å; L77-V95 HydrophobicContact CD2-CB 4.34Å; L77-V95 HydrophobicContact CD2-CG1 3.77Å; L77-V95 HydrophobicContact CD2-CG2 3.56Å; E90-V95 HydrophobicContact CB-CG2 4.04Å; P92-V95 WeakPolarHBondContact O-CB 3.34Å; P92-V95 PolarHBondContact O-N 2.86Å; S93-V95 VanDerWaalsContact C-N 3.26Å; V95-I97 HydrophobicContact CG1-CD1 4.05Å; V95-A105 CarbonylContact O-C 3.59Å; V95-A105 WeakPolarHBondContact O-CA 3.44Å; V95-A106 HydrophobicContact CB-CB 3.85Å; V95-A106 HydrophobicContact CG1-CB 4.14Å; V95-A106 PolarHBondContact O-N 2.99Å; V95-I122 HydrophobicContact CG1-CD1 4.26Å
96	K	94.4	Very high	81.5	Confident	110 Å²	110	42.3 Å²	42.3	48%	0.478	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.3	175.5	-171.6	177.6	-176	172.7	0	110.5	K48 V98 S103	K48-K96 HydrophobicContact CB-CB 4.4Å; K48-K96 PolarHBondContact N-O 2.8Å; K48-K96 PolarHBondContact O-N 2.84Å; K96-V98 HydrophobicContact CD-CG2 4.11Å; K96-V98 HydrophobicContact CG-CG2 3.92Å; K96-S103 WeakPolarHBondContact CE-OG 3.5Å
97	I	94.7	Very high	82.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.1	174	-51.6	-56.3	0	0	0	108.7	V45 V47 V70 V95 F102 S103 S104 I122 L124	V45-I97 HydrophobicContact CB-CG2 3.85Å; V45-I97 HydrophobicContact CG1-CG2 4.09Å; V45-I97 HydrophobicContact CG2-CG2 3.88Å; V47-I97 HydrophobicContact CB-CD1 4.21Å; V47-I97 HydrophobicContact CG1-CD1 3.95Å; V47-I97 HydrophobicContact CG2-CD1 3.9Å; V70-I97 HydrophobicContact CG2-CD1 4.48Å; V70-I97 HydrophobicContact CG2-CG1 4.38Å; V70-I97 HydrophobicContact CG2-CG2 3.91Å; V95-I97 HydrophobicContact CG1-CD1 4.05Å; I97-F102 HydrophobicContact CG2-CE2 4.16Å; I97-F102 HydrophobicContact CG2-CZ 4.3Å; I97-S103 CarbonylContact O-C 3.47Å; I97-S103 VanDerWaalsContact O-CA 3.27Å; I97-S103 WeakPolarHBondContact O-CA 3.03Å; I97-S104 PolarHBondContact N-O 3.22Å; I97-S104 PolarHBondContact O-N 2.03Å; I97-I122 HydrophobicContact CD1-CD1 3.9Å; I97-I122 HydrophobicContact CD1-CG2 4.36Å; I97-I122 HydrophobicContact CG1-CG2 4.48Å; I97-L124 HydrophobicContact CB-CD2 3.75Å; I97-L124 HydrophobicContact CG1-CD2 3.55Å; I97-L124 HydrophobicContact CG2-CD2 3.95Å
98	V	92.7	Very high	83.8	Confident	39 Å²	39	40.7 Å²	40.7	24%	0.236	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.4	-178.5	-173.9	0	0	0	0	109.9	V45 L46 K96	V45-V98 WeakPolarHBondContact CA-O 3.47Å; L46-V98 HydrophobicContact CB-CB 4.39Å; L46-V98 PolarHBondContact N-O 2.99Å; L46-V98 PolarHBondContact O-N 2.64Å; K96-V98 HydrophobicContact CD-CG2 4.11Å; K96-V98 HydrophobicContact CG-CG2 3.92Å
99	G	87.5	Confident	84.6	Confident	10 Å²	10	38.3 Å²	38.3	10%	0.103	21%	0.214	C	C	.	.			trans	-109.4	-170.1	169.5	0	0	0	0	0	111.8	N101 F102	G99-N101 PolarHBondContact O-N 3.19Å; G99-F102 PolarHBondContact N-O 2.49Å
100	S	77.9	Confident	85.2	Confident	54 Å²	54	38.5 Å²	38.5	38%	0.378	21%	0.214	S	C	.	.	S	Bend	trans	-62.3	-41.5	-175.6	-56.1	0	0	0	0	113.1	V39 K160	V39-S100 VanDerWaalsContact CG1-CB 3.47Å; V39-S100 WeakPolarHBondContact CG1-OG 3.29Å; S100-K160 WeakPolarHBondContact OG-CE 3.47Å; S100-K160 PolarHBondContact OG-NZ 2.87Å
101	N	78.5	Confident	85.7	Confident	134 Å²	134	40.6 Å²	40.6	72%	0.717	23%	0.225	S	C	*	.	S	Bend	trans	-132.9	23.9	-175.8	-63.9	-19.5	0	0	0	112	G99	G99-N101 PolarHBondContact O-N 3.19Å
102	F	87.1	Confident	85.9	Confident	51 Å²	51	39.2 Å²	39.2	22%	0.224	22%	0.218	C	C	.	.			trans	-152	153.8	178.4	83	-85.4	0	0	0	111.4	V45 I58 I97 G99 L124 Y128	V45-F102 HydrophobicContact CG1-CE1 4Å; V45-F102 HydrophobicContact CG1-CZ 3.63Å; I58-F102 HydrophobicContact CD1-CE1 3.89Å; I58-F102 HydrophobicContact CD1-CZ 3.62Å; I97-F102 HydrophobicContact CG2-CE2 4.16Å; I97-F102 HydrophobicContact CG2-CZ 4.3Å; G99-F102 PolarHBondContact N-O 2.49Å; F102-L124 HydrophobicContact CE2-CD1 4.22Å; F102-Y128 HydrophobicContact CD1-CD2 4.43Å; F102-Y128 AromaticContact CD1-CE2 3.7Å; F102-Y128 HydrophobicContact CD1-CE2 3.7Å; F102-Y128 HydrophobicContact CD2-CD2 4.2Å; F102-Y128 HydrophobicContact CD2-CE2 4.25Å; F102-Y128 HydrophobicContact CE1-CD2 4.25Å; F102-Y128 AromaticContact CE1-CE2 3.44Å; F102-Y128 HydrophobicContact CE1-CE2 3.44Å; F102-Y128 VanDerWaalsContact CE1-CE2 3.44Å; F102-Y128 HydrophobicContact CE2-CD2 4.02Å; F102-Y128 HydrophobicContact CE2-CE2 4.03Å; F102-Y128 HydrophobicContact CG-CD2 4.4Å; F102-Y128 HydrophobicContact CG-CE2 4.09Å; F102-Y128 HydrophobicContact CZ-CD2 4.04Å; F102-Y128 AromaticContact CZ-CE2 3.62Å; F102-Y128 HydrophobicContact CZ-CE2 3.62Å
103	S	91	Very high	85.5	Confident	59 Å²	59	43.7 Å²	43.7	41%	0.413	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.7	169.8	177	0	0	0	0	108.4	K96 I97	K96-S103 WeakPolarHBondContact CE-OG 3.5Å; I97-S103 CarbonylContact O-C 3.47Å; I97-S103 VanDerWaalsContact O-CA 3.27Å; I97-S103 WeakPolarHBondContact O-CA 3.03Å
104	S	93.4	Very high	84.6	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	150.1	175.1	-176.5	0	0	0	0	109.5	I97 E125 N126	I97-S104 PolarHBondContact N-O 3.22Å; I97-S104 PolarHBondContact O-N 2.03Å; S104-E125 PolarHBondContact OG-N 3.45Å; S104-N126 PolarHBondContact OG-N 3.35Å
105	A	90.6	Very high	83.4	Confident	25 Å²	25	44.9 Å²	44.9	21%	0.207	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	164.8	163.1	0	0	0	0	0	110.4	V95 E125	V95-A105 CarbonylContact O-C 3.59Å; V95-A105 WeakPolarHBondContact O-CA 3.44Å; A105-E125 WeakPolarHBondContact O-CB 3Å; A105-E125 PolarHBondContact O-N 3.09Å
106	A	88.7	Confident	82.3	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.7	167.6	0	0	0	0	0	110.3	P92 V95 V109 I122 K123	P92-A106 CarbonylContact C-O 3.59Å; P92-A106 HydrophobicContact CB-CB 4.07Å; P92-A106 VanDerWaalsContact CB-O 3.31Å; P92-A106 WeakPolarHBondContact CB-O 3.1Å; P92-A106 WeakPolarHBondContact O-CB 3.39Å; V95-A106 HydrophobicContact CB-CB 3.85Å; V95-A106 HydrophobicContact CG1-CB 4.14Å; V95-A106 PolarHBondContact O-N 2.99Å; A106-V109 HydrophobicContact CB-CG2 4.36Å; A106-I122 HydrophobicContact CB-CG2 3.29Å; A106-K123 CarbonylContact C-O 3.56Å
107	K	85.9	Confident	81.4	Confident	94 Å²	94	44.1 Å²	44.1	41%	0.409	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-41.9	169.7	-161.5	-172.2	-172.9	74.3	0	112.1	K123 E125	K107-K123 HydrophobicContact CB-CG 4.47Å; K107-K123 WeakPolarHBondContact CB-O 3.22Å; K107-K123 HydrophobicContact CD-CD 4.42Å; K107-K123 HydrophobicContact CD-CG 4.48Å; K107-K123 PolarHBondContact N-O 3.03Å; K107-E125 HydrophobicContact CB-CB 4.44Å
108	N	83.3	Confident	80.7	Confident	24 Å²	24	46 Å²	46	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	153.3	-174.7	-158.1	-11.7	0	0	0	109.1	K123 M237	N108-K123 HydrophobicContact CB-CB 4.45Å; N108-K123 PolarHBondContact O-N 3.06Å; N108-M237 HydrophobicContact CB-CG 4.45Å; N108-M237 HydrophobicContact CB-SD 4.27Å
109	V	82.7	Confident	80.4	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131	179.2	179.8	0	0	0	0	108.5	L77 L89 P92 A106 V120 F121 I122	L77-V109 HydrophobicContact CD1-CB 4.41Å; L77-V109 HydrophobicContact CD1-CG1 3.52Å; L77-V109 HydrophobicContact CD1-CG2 3.94Å; L89-V109 HydrophobicContact CD1-CG1 4.45Å; L89-V109 HydrophobicContact CD2-CB 4.34Å; L89-V109 HydrophobicContact CD2-CG1 3.93Å; P92-V109 HydrophobicContact CB-CG2 4.45Å; P92-V109 HydrophobicContact CG-CG2 4.15Å; A106-V109 HydrophobicContact CB-CG2 4.36Å; V109-V120 HydrophobicContact CG1-CB 4.23Å; V109-V120 HydrophobicContact CG1-CG1 4.22Å; V109-F121 CarbonylContact C-O 3.59Å; V109-F121 WeakPolarHBondContact CA-O 3.24Å; V109-I122 HydrophobicContact CG2-CG1 4.49Å; V109-I122 HydrophobicContact CG2-CG2 4.4Å
110	Y	82.7	Confident	80.5	Confident	10 Å²	10	43.7 Å²	43.7	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.6	172.2	177.2	-98.1	0	0	0	109.3	V120 F121 L229 Y232 A233 K273 Y275	Y110-V120 CarbonylContact O-C 3.55Å; Y110-V120 WeakPolarHBondContact O-CA 3.26Å; Y110-F121 AromaticContact CD1-CD2 3.67Å; Y110-F121 HydrophobicContact CD1-CD2 3.67Å; Y110-F121 HydrophobicContact CD1-CE2 4.3Å; Y110-F121 HydrophobicContact CD1-CG 4.49Å; Y110-F121 HydrophobicContact CE1-CD2 4.3Å; Y110-F121 PolarHBondContact N-O 2.95Å; Y110-F121 PolarHBondContact O-N 3.26Å; Y110-L229 HydrophobicContact CE1-CD1 3.87Å; Y110-L229 HydrophobicContact CE1-CG 4.45Å; Y110-Y232 WeakPolarHBondContact OH-CE1 3.33Å; Y110-A233 HydrophobicContact CD1-CB 3.42Å; Y110-A233 VanDerWaalsContact CD1-CB 3.42Å; Y110-A233 HydrophobicContact CE1-CB 3.89Å; Y110-A233 HydrophobicContact CG-CB 3.99Å; Y110-K273 HydrophobicContact CE2-CD 4.48Å; Y110-Y275 HydrophobicContact CD2-CE1 4.4Å
111	L	81.9	Confident	81.1	Confident	53 Å²	53	41.1 Å²	41.1	28%	0.277	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132	172.9	177.2	67.5	0	0	0	109.7	L78 V120	L78-L111 HydrophobicContact CD1-CD1 4.4Å; L78-L111 HydrophobicContact CD2-CD2 4.09Å; L111-V120 HydrophobicContact CB-CG1 4.29Å; L111-V120 HydrophobicContact CD1-CG1 3.59Å
112	S	78	Confident	81.7	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.5	171.7	-161.8	0	0	0	0	112.2	P118 V119 L229	S112-P118 CarbonylContact O-C 3.51Å; S112-P118 VanDerWaalsContact O-CA 3.23Å; S112-P118 WeakPolarHBondContact O-CA 2.96Å; S112-V119 PolarHBondContact N-O 3.34Å; S112-V119 PolarHBondContact O-N 2.91Å; S112-L229 VanDerWaalsContact OG-CD2 3.31Å; S112-L229 WeakPolarHBondContact OG-CD2 2.75Å
113	V	70.6	Confident	81.9	Confident	100 Å²	100	33.7 Å²	33.7	61%	0.606	20%	0.202	S	C	*	.			trans	-105.6	8.1	174.4	-63.3	0	0	0	0	112.2	T115 P118	V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 3.13Å; V113-P118 HydrophobicContact CG1-CB 4.08Å; V113-P118 HydrophobicContact CG1-CG 4.16Å
114	K	61.5	Low	81.9	Confident	118 Å²	118	31.4 Å²	31.4	51%	0.513	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14	-168.1	-74.5	-171	175.8	-178.2	0	114.8
115	T	59.6	Low	81.7	Confident	41 Å²	41	36.4 Å²	36.4	25%	0.252	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	17.8	-162.9	44.1	0	0	0	0	112.7	V113 Y117 P225 L226 L229	V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 3.13Å; T115-Y117 PolarHBondContact O-N 2.52Å; T115-Y117 PolarHBondContact OG1-O 3.24Å; T115-P225 HydrophobicContact CG2-CB 4.19Å; T115-L226 HydrophobicContact CG2-CD2 3.4Å; T115-L229 HydrophobicContact CG2-CD2 4.06Å
116	G	65.9	Low	81.6	Confident	80 Å²	80	39.9 Å²	39.9	83%	0.825	22%	0.223	S	C	*	.	S	Bend	trans	70.6	-22.1	-172.5	0	0	0	0	0	113.8
117	Y	75.1	Confident	81.4	Confident	14 Å²	14	47 Å²	47	6%	0.055	26%	0.256	C	S	.	.	S	Bend	trans	-120.3	116.4	172	-171	-91.5	0	0	0	110.5	P73 Q75 T115 V119 F210 G212 K213 I219 V221	P73-Y117 HydrophobicContact CB-CE1 4.18Å; Q75-Y117 PolarHBondContact NE2-OH 2.91Å; Q75-Y117 PolarHBondContact OE1-OH 2.75Å; T115-Y117 PolarHBondContact O-N 2.52Å; T115-Y117 PolarHBondContact OG1-O 3.24Å; Y117-V119 HydrophobicContact CD1-CG1 3.77Å; Y117-V119 HydrophobicContact CE1-CG1 4.3Å; Y117-V119 PolarHBondContact O-N 2.83Å; Y117-F210 HydrophobicContact CD1-CE2 4.24Å; Y117-F210 HydrophobicContact CD1-CZ 4.1Å; Y117-F210 AromaticContact CE1-CE2 3.74Å; Y117-F210 HydrophobicContact CE1-CE2 3.74Å; Y117-F210 HydrophobicContact CE1-CZ 4.04Å; Y117-G212 WeakPolarHBondContact OH-CA 3.23Å; Y117-K213 WeakPolarHBondContact CE2-O 3.35Å; Y117-K213 PolarHBondContact OH-N 3.21Å; Y117-I219 HydrophobicContact CD2-CD1 3.55Å; Y117-I219 HydrophobicContact CD2-CG1 4.41Å; Y117-I219 HydrophobicContact CE2-CD1 3.72Å; Y117-I219 HydrophobicContact CE2-CG1 4.13Å; Y117-V221 HydrophobicContact CD1-CB 4.29Å; Y117-V221 HydrophobicContact CD1-CG1 3.86Å; Y117-V221 HydrophobicContact CD1-CG2 3.54Å; Y117-V221 HydrophobicContact CD2-CG2 3.72Å; Y117-V221 HydrophobicContact CE1-CG2 3.78Å; Y117-V221 HydrophobicContact CE2-CG2 3.89Å; Y117-V221 HydrophobicContact CG-CB 4.43Å; Y117-V221 HydrophobicContact CG-CG1 4.01Å; Y117-V221 HydrophobicContact CG-CG2 3.51Å
118	P	79.9	Confident	81.4	Confident	40 Å²	40	43.6 Å²	43.6	26%	0.26	24%	0.241	S	C	.	.			trans	-67	125	179.3	-24.6	36.5	0	0	0	113.1	S74 S112 V113	S74-P118 WeakPolarHBondContact CB-O 3.39Å; S74-P118 PolarHBondContact N-O 3.4Å; S74-P118 WeakPolarHBondContact OG-CB 3.35Å; S74-P118 PolarHBondContact OG-O 3.33Å; S112-P118 CarbonylContact O-C 3.51Å; S112-P118 VanDerWaalsContact O-CA 3.23Å; S112-P118 WeakPolarHBondContact O-CA 2.96Å; V113-P118 HydrophobicContact CG1-CB 4.08Å; V113-P118 HydrophobicContact CG1-CG 4.16Å
119	V	86.6	Confident	81.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.4	-179.6	-62.4	0	0	0	0	111.7	L71 S112 Y117 F121 F210 L226 L229	L71-V119 HydrophobicContact CD1-CB 4.16Å; S112-V119 PolarHBondContact N-O 3.34Å; S112-V119 PolarHBondContact O-N 2.91Å; Y117-V119 HydrophobicContact CD1-CG1 3.77Å; Y117-V119 HydrophobicContact CE1-CG1 4.3Å; Y117-V119 PolarHBondContact O-N 2.83Å; V119-F121 HydrophobicContact CG2-CD2 4.42Å; V119-F121 HydrophobicContact CG2-CE2 3.58Å; V119-F121 HydrophobicContact CG2-CZ 3.94Å; V119-F210 HydrophobicContact CG1-CE1 4.21Å; V119-F210 HydrophobicContact CG1-CZ 3.54Å; V119-L226 HydrophobicContact CG1-CD1 4.05Å; V119-L226 HydrophobicContact CG1-CD2 4.4Å; V119-L226 HydrophobicContact CG2-CD2 4.15Å; V119-L229 HydrophobicContact CG2-CD2 4.08Å
120	V	89	Confident	81.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.1	172.3	-69.4	0	0	0	0	110.9	A72 P73 L77 L89 V109 Y110 L111	A72-V120 HydrophobicContact CB-CG2 3.96Å; A72-V120 PolarHBondContact N-O 3.05Å; A72-V120 WeakPolarHBondContact O-CG2 3.19Å; A72-V120 PolarHBondContact O-N 3.32Å; P73-V120 WeakPolarHBondContact O-CG2 3.42Å; L77-V120 HydrophobicContact CD1-CB 4.05Å; L77-V120 HydrophobicContact CD1-CG1 4.17Å; L77-V120 HydrophobicContact CD1-CG2 3.86Å; L77-V120 HydrophobicContact CG-CG2 4.14Å; L89-V120 HydrophobicContact CD1-CG1 4.34Å; V109-V120 HydrophobicContact CG1-CB 4.23Å; V109-V120 HydrophobicContact CG1-CG1 4.22Å; Y110-V120 CarbonylContact O-C 3.55Å; Y110-V120 WeakPolarHBondContact O-CA 3.26Å; L111-V120 HydrophobicContact CB-CG1 4.29Å; L111-V120 HydrophobicContact CD1-CG1 3.59Å
121	F	90.6	Very high	81.5	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128	170.4	-58.1	-89.2	0	0	0	108.5	L69 V70 L71 V109 Y110 V119 L229 I230 A233 M237	L69-F121 HydrophobicContact CD1-CB 4.35Å; L69-F121 HydrophobicContact CD1-CD1 4.44Å; V70-F121 CarbonylContact O-C 3.51Å; V70-F121 WeakPolarHBondContact O-CA 3.41Å; L71-F121 HydrophobicContact CB-CD1 4.5Å; L71-F121 HydrophobicContact CB-CE1 4.47Å; L71-F121 HydrophobicContact CD1-CD1 4.12Å; L71-F121 HydrophobicContact CD1-CE1 3.6Å; L71-F121 HydrophobicContact CD1-CZ 4Å; L71-F121 HydrophobicContact CG-CE1 4.49Å; V109-F121 CarbonylContact C-O 3.59Å; V109-F121 WeakPolarHBondContact CA-O 3.24Å; Y110-F121 AromaticContact CD1-CD2 3.67Å; Y110-F121 HydrophobicContact CD1-CD2 3.67Å; Y110-F121 HydrophobicContact CD1-CE2 4.3Å; Y110-F121 HydrophobicContact CD1-CG 4.49Å; Y110-F121 HydrophobicContact CE1-CD2 4.3Å; Y110-F121 PolarHBondContact N-O 2.95Å; Y110-F121 PolarHBondContact O-N 3.26Å; V119-F121 HydrophobicContact CG2-CD2 4.42Å; V119-F121 HydrophobicContact CG2-CE2 3.58Å; V119-F121 HydrophobicContact CG2-CZ 3.94Å; F121-L229 HydrophobicContact CE2-CD2 3.7Å; F121-L229 HydrophobicContact CE2-CG 3.69Å; F121-L229 HydrophobicContact CZ-CB 4.36Å; F121-L229 HydrophobicContact CZ-CD2 3.95Å; F121-L229 HydrophobicContact CZ-CG 3.91Å; F121-I230 HydrophobicContact CD1-CG1 4.27Å; F121-I230 HydrophobicContact CE1-CB 4.21Å; F121-I230 HydrophobicContact CE1-CG1 3.43Å; F121-I230 VanDerWaalsContact CE1-CG1 3.43Å; F121-I230 HydrophobicContact CZ-CG1 4.1Å; F121-A233 HydrophobicContact CB-CB 4.02Å; F121-A233 HydrophobicContact CD1-CB 4.45Å; F121-A233 HydrophobicContact CD2-CB 3.91Å; F121-A233 HydrophobicContact CE2-CB 4.45Å; F121-A233 HydrophobicContact CG-CB 3.85Å; F121-M237 HydrophobicContact CB-CE 4Å
122	I	92	Very high	81.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.9	-173.8	-49.1	170	0	0	0	108	V47 L69 V70 L77 V95 I97 A106 V109	V47-I122 HydrophobicContact CG1-CD1 3.94Å; V47-I122 HydrophobicContact CG2-CD1 4.3Å; L69-I122 WeakPolarHBondContact CA-O 3.43Å; V70-I122 HydrophobicContact CB-CB 4.1Å; V70-I122 HydrophobicContact CB-CD1 4.49Å; V70-I122 PolarHBondContact N-O 3.42Å; V70-I122 PolarHBondContact O-N 2.81Å; L77-I122 HydrophobicContact CD1-CD1 3.93Å; L77-I122 HydrophobicContact CD1-CG1 4.06Å; V95-I122 HydrophobicContact CG1-CD1 4.26Å; I97-I122 HydrophobicContact CD1-CD1 3.9Å; I97-I122 HydrophobicContact CD1-CG2 4.36Å; I97-I122 HydrophobicContact CG1-CG2 4.48Å; A106-I122 HydrophobicContact CB-CG2 3.29Å; V109-I122 HydrophobicContact CG2-CG1 4.49Å; V109-I122 HydrophobicContact CG2-CG2 4.4Å
123	K	90.9	Very high	82.2	Confident	30 Å²	30	50.9 Å²	50.9	13%	0.13	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.4	170.8	-173.5	166.2	-172.2	163.2	0	108.8	L69 A106 K107 N108 M237	L69-K123 HydrophobicContact CD2-CB 4.06Å; L69-K123 HydrophobicContact CD2-CG 4.45Å; A106-K123 CarbonylContact C-O 3.56Å; K107-K123 HydrophobicContact CB-CG 4.47Å; K107-K123 WeakPolarHBondContact CB-O 3.22Å; K107-K123 HydrophobicContact CD-CD 4.42Å; K107-K123 HydrophobicContact CD-CG 4.48Å; K107-K123 PolarHBondContact N-O 3.03Å; N108-K123 HydrophobicContact CB-CB 4.45Å; N108-K123 PolarHBondContact O-N 3.06Å; K123-M237 HydrophobicContact CB-SD 3.74Å; K123-M237 HydrophobicContact CD-CB 4.17Å
124	L	91.3	Very high	82.8	Confident	11 Å²	11	49.9 Å²	49.9	6%	0.058	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	144.3	178.9	-58.1	174.6	0	0	0	110.7	V70 I97 F102 N126 Y128	V70-L124 HydrophobicContact CG2-CD2 4.01Å; V70-L124 HydrophobicContact CG2-CG 4.5Å; I97-L124 HydrophobicContact CB-CD2 3.75Å; I97-L124 HydrophobicContact CG1-CD2 3.55Å; I97-L124 HydrophobicContact CG2-CD2 3.95Å; F102-L124 HydrophobicContact CE2-CD1 4.22Å; L124-N126 WeakPolarHBondContact CB-O 3.43Å; L124-Y128 HydrophobicContact CD1-CD2 4.11Å; L124-Y128 HydrophobicContact CD1-CG 3.94Å
125	E	88.1	Confident	83.9	Confident	111 Å²	111	45.3 Å²	45.3	52%	0.519	25%	0.253	S	S	.	.	S	Bend	trans	-62.2	-50.2	173.9	-174.3	175.7	-159.3	0	0	111.6	S104 A105 K107	S104-E125 PolarHBondContact OG-N 3.45Å; A105-E125 WeakPolarHBondContact O-CB 3Å; A105-E125 PolarHBondContact O-N 3.09Å; K107-E125 HydrophobicContact CB-CB 4.44Å
126	N	88.3	Confident	84.7	Confident	97 Å²	97	46.2 Å²	46.2	52%	0.519	26%	0.256	S	S	.	.	S	Bend	trans	-85	146.5	176.8	-64.5	-42.3	0	0	0	111.4	S104 L124 Y128	S104-N126 PolarHBondContact OG-N 3.35Å; L124-N126 WeakPolarHBondContact CB-O 3.43Å; N126-Y128 PolarHBondContact O-N 2.66Å
127	E	85.3	Confident	84.6	Confident	153 Å²	153	50 Å²	50	72%	0.715	25%	0.245	S	C	*	.			trans	-63.3	118.5	175.6	-167.6	-168.1	173.1	0	0	110.5	K129	E127-K129 WeakPolarHBondContact OE1-CE 3.38Å; E127-K129 IonicContact OE1-NZ 2.79Å; E127-K129 WeakPolarHBondContact OE2-CE 3.4Å; E127-K129 IonicContact OE2-NZ 2.79Å; E127-K129 PolarHBondContact OE2-NZ 3.24Å
128	Y	87.1	Confident	83.7	Confident	24 Å²	24	51.5 Å²	51.5	9%	0.094	26%	0.26	C	S	.	.			trans	-92.6	113.2	179.4	-178.8	-97.6	0	0	0	112	I58 P68 F102 L124 N126 G130 P131	I58-Y128 HydrophobicContact CD1-CD1 4.43Å; I58-Y128 HydrophobicContact CD1-CD2 4.5Å; I58-Y128 HydrophobicContact CD1-CE1 3.7Å; I58-Y128 HydrophobicContact CD1-CE2 3.79Å; I58-Y128 WeakPolarHBondContact CD1-OH 3.37Å; I58-Y128 HydrophobicContact CG2-CD1 4.08Å; I58-Y128 HydrophobicContact CG2-CE1 3.76Å; P68-Y128 HydrophobicContact CB-CD1 3.88Å; P68-Y128 HydrophobicContact CB-CG 4.49Å; P68-Y128 HydrophobicContact CG-CD1 4.36Å; F102-Y128 HydrophobicContact CD1-CD2 4.43Å; F102-Y128 AromaticContact CD1-CE2 3.7Å; F102-Y128 HydrophobicContact CD1-CE2 3.7Å; F102-Y128 HydrophobicContact CD2-CD2 4.2Å; F102-Y128 HydrophobicContact CD2-CE2 4.25Å; F102-Y128 HydrophobicContact CE1-CD2 4.25Å; F102-Y128 AromaticContact CE1-CE2 3.44Å; F102-Y128 HydrophobicContact CE1-CE2 3.44Å; F102-Y128 VanDerWaalsContact CE1-CE2 3.44Å; F102-Y128 HydrophobicContact CE2-CD2 4.02Å; F102-Y128 HydrophobicContact CE2-CE2 4.03Å; F102-Y128 HydrophobicContact CG-CD2 4.4Å; F102-Y128 HydrophobicContact CG-CE2 4.09Å; F102-Y128 HydrophobicContact CZ-CD2 4.04Å; F102-Y128 AromaticContact CZ-CE2 3.62Å; F102-Y128 HydrophobicContact CZ-CE2 3.62Å; L124-Y128 HydrophobicContact CD1-CD2 4.11Å; L124-Y128 HydrophobicContact CD1-CG 3.94Å; N126-Y128 PolarHBondContact O-N 2.66Å; Y128-G130 VanDerWaalsContact CE1-CA 3.45Å; Y128-G130 VanDerWaalsContact CE1-O 3.3Å; Y128-G130 WeakPolarHBondContact CE1-O 3.37Å; Y128-G130 WeakPolarHBondContact OH-CA 2.83Å; Y128-P131 PolarHBondContact OH-O 2.84Å
129	K	83.1	Confident	82.4	Confident	159 Å²	159	53.2 Å²	53.2	69%	0.691	27%	0.27	S	S	*	.			trans	-102	5.3	179.6	-61.8	-176.2	-179.2	176.4	0	113.8	E127	E127-K129 WeakPolarHBondContact OE1-CE 3.38Å; E127-K129 IonicContact OE1-NZ 2.79Å; E127-K129 WeakPolarHBondContact OE2-CE 3.4Å; E127-K129 IonicContact OE2-NZ 2.79Å; E127-K129 PolarHBondContact OE2-NZ 3.24Å
130	G	81.9	Confident	81.1	Confident	22 Å²	22	58.8 Å²	58.8	23%	0.227	29%	0.292	C	S	.	.	S	Bend	trans	-78.5	178.4	-179.5	0	0	0	0	0	113.9	R60 Y128	R60-G130 PolarHBondContact NH2-O 2.8Å; Y128-G130 VanDerWaalsContact CE1-CA 3.45Å; Y128-G130 VanDerWaalsContact CE1-O 3.3Å; Y128-G130 WeakPolarHBondContact CE1-O 3.37Å; Y128-G130 WeakPolarHBondContact OH-CA 2.83Å
131	P	84.1	Confident	79.6	Confident	37 Å²	37	60 Å²	60	24%	0.24	30%	0.3	C	S	.	.			trans	-68.4	144.6	176.6	31.3	-37.3	0	0	0	111.4	P25 P42 Y128	P25-P131 HydrophobicContact CB-CB 3.65Å; P25-P131 HydrophobicContact CB-CG 4.33Å; P25-P131 HydrophobicContact CG-CB 3.87Å; P25-P131 HydrophobicContact CG-CG 4.07Å; P42-P131 HydrophobicContact CB-CG 3.38Å; P42-P131 HydrophobicContact CG-CB 3.99Å; P42-P131 HydrophobicContact CG-CG 3.26Å; Y128-P131 PolarHBondContact OH-O 2.84Å
132	A	87.5	Confident	78.2	Confident	25 Å²	25	63.5 Å²	63.5	21%	0.207	32%	0.321	C	S	.	.			trans	-123.3	152.9	172.1	0	0	0	0	0	108.6	I58 R60	I58-A132 HydrophobicContact CG2-CB 3.93Å; I58-A132 WeakPolarHBondContact O-CA 3.41Å; R60-A132 HydrophobicContact CB-CB 4.47Å; R60-A132 HydrophobicContact CG-CB 3.62Å
133	I	88	Confident	76.8	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.036	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-72.9	143.9	176.5	-167.3	66.4	0	0	0	110.1	W43 T57 I58 V59 T197 W205 L207	W43-I133 HydrophobicContact CB-CB 4.07Å; W43-I133 HydrophobicContact CD2-CB 3.96Å; W43-I133 HydrophobicContact CD2-CD1 3.8Å; W43-I133 HydrophobicContact CD2-CG1 4.39Å; W43-I133 HydrophobicContact CE3-CB 4.38Å; W43-I133 HydrophobicContact CE3-CD1 4.07Å; W43-I133 HydrophobicContact CG-CB 3.77Å; W43-I133 HydrophobicContact CG-CD1 4.38Å; W43-I133 HydrophobicContact CG-CG1 4.5Å; W43-I133 HydrophobicContact CH2-CD1 4.05Å; W43-I133 HydrophobicContact CZ2-CD1 3.75Å; W43-I133 HydrophobicContact CZ3-CD1 4.17Å; T57-I133 HydrophobicContact CG2-CB 4.36Å; T57-I133 HydrophobicContact CG2-CG2 3.51Å; I58-I133 WeakPolarHBondContact O-CG2 3.32Å; I58-I133 PolarHBondContact O-N 3.09Å; V59-I133 HydrophobicContact CG1-CG2 3.8Å; I133-T197 HydrophobicContact CD1-CG2 3.86Å; I133-T197 HydrophobicContact CG1-CG2 3.89Å; I133-W205 HydrophobicContact CD1-CB 3.39Å; I133-W205 WeakPolarHBondContact CD1-O 3.48Å; I133-L207 HydrophobicContact CG1-CB 3.86Å; I133-L207 HydrophobicContact CG2-CB 3.76Å; I133-L207 HydrophobicContact CG2-CD2 4.18Å; I133-L207 HydrophobicContact CG2-CG 4.48Å
134	K	84.1	Confident	75.7	Confident	78 Å²	78	71.7 Å²	71.7	34%	0.339	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.4	170	-174.4	-177.6	172.6	-160.7	0	109	D136 W205 T206 L207	K134-D136 WeakPolarHBondContact CE-OD2 3.44Å; K134-D136 IonicContact NZ-OD2 3.21Å; K134-D136 PolarHBondContact NZ-OD2 3.31Å; K134-W205 WeakPolarHBondContact CB-O 3.47Å; K134-W205 PolarHBondContact N-O 2.83Å; K134-T206 CarbonylContact O-C 3.59Å; K134-T206 WeakPolarHBondContact O-CA 2.94Å; K134-L207 PolarHBondContact O-N 2.96Å
135	V	84.4	Confident	74.9	Confident	23 Å²	23	71.5 Å²	71.5	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.2	167.1	177.1	0	0	0	0	105.7	V59 L207 I223 I227 I230	V59-V135 HydrophobicContact CB-CG2 4.05Å; V59-V135 HydrophobicContact CG1-CG2 3.61Å; V135-L207 HydrophobicContact CG2-CB 4.36Å; V135-L207 HydrophobicContact CG2-CD2 4.35Å; V135-I223 HydrophobicContact CG1-CD1 4.49Å; V135-I223 HydrophobicContact CG1-CG1 3.55Å; V135-I223 HydrophobicContact CG1-CG2 4.39Å; V135-I223 HydrophobicContact CG2-CG1 4.34Å; V135-I227 HydrophobicContact CG1-CD1 4.09Å; V135-I227 HydrophobicContact CG1-CG1 3.67Å; V135-I230 HydrophobicContact CG1-CD1 4.09Å; V135-I230 HydrophobicContact CG2-CD1 4.14Å
136	D	75.1	Confident	74.1	Confident	59 Å²	59	71.3 Å²	71.3	32%	0.316	36%	0.363	S	S	.	.			trans	-122.1	154.3	-178.8	-152.4	-25.1	0	0	0	109.8	K134 A138 T206 I227	K134-D136 WeakPolarHBondContact CE-OD2 3.44Å; K134-D136 IonicContact NZ-OD2 3.21Å; K134-D136 PolarHBondContact NZ-OD2 3.31Å; D136-A138 PolarHBondContact O-N 3.41Å; D136-T206 HydrophobicContact CB-CG2 3.82Å; D136-I227 VanDerWaalsContact O-CD1 3.22Å; D136-I227 WeakPolarHBondContact O-CD1 3Å
137	R	63.4	Low	73.6	Confident	161 Å²	161	67.8 Å²	67.8	61%	0.608	34%	0.343	S	S	*	.			trans	-73.3	-6.1	176.3	-61.9	-175.8	-174.8	177.3	5.7	112.7	V139 I227	R137-V139 WeakPolarHBondContact O-CG2 3.27Å; R137-V139 PolarHBondContact O-N 3.38Å; R137-V139 VanDerWaalsContact O-N 3.11Å; R137-I227 HydrophobicContact CB-CD1 4.22Å; R137-I227 HydrophobicContact CG-CD1 3.81Å
138	A	56.9	Low	73.4	Confident	44 Å²	44	60.5 Å²	60.5	36%	0.364	31%	0.309	S	S	.	.			trans	-62.5	114.6	-179.5	0	0	0	0	0	110.4	D136 Y140	D136-A138 PolarHBondContact O-N 3.41Å; A138-Y140 PolarHBondContact O-N 2.79Å
139	V	53.7	Low	73.2	Confident	77 Å²	77	59.4 Å²	59.4	47%	0.467	31%	0.305	S	S	.	.			trans	-77.9	108.6	178.2	-173.5	0	0	0	0	106.7	R137 E224	R137-V139 WeakPolarHBondContact O-CG2 3.27Å; R137-V139 PolarHBondContact O-N 3.38Å; R137-V139 VanDerWaalsContact O-N 3.11Å; V139-E224 VanDerWaalsContact CG2-CD 3.42Å; V139-E224 HydrophobicContact CG2-CG 4.34Å; V139-E224 VanDerWaalsContact CG2-OE2 3.32Å; V139-E224 WeakPolarHBondContact CG2-OE2 3.33Å
140	Y	59	Low	73.3	Confident	116 Å²	116	51.8 Å²	51.8	46%	0.455	27%	0.272	S	S	.	.	S	Bend	trans	69.1	154.6	-178.6	-63.7	-79.2	0	0	0	118.5	A138 T142 E176 Y208	A138-Y140 PolarHBondContact O-N 2.79Å; Y140-T142 PolarHBondContact O-N 3.32Å; Y140-E176 HydrophobicContact CE1-CG 3.87Å; Y140-E176 VanDerWaalsContact CE1-OE1 3.22Å; Y140-E176 WeakPolarHBondContact CE1-OE1 3.31Å; Y140-E176 PolarHBondContact OH-OE1 2.89Å; Y140-E176 PolarHBondContact OH-OE2 2.97Å; Y140-Y208 WeakPolarHBondContact O-CE1 3.34Å
141	P	57.4	Low	73.3	Confident	26 Å²	26	50.8 Å²	50.8	17%	0.169	26%	0.261	C	S	.	.			trans	-52.1	106	162.6	21.3	-32.8	0	0	0	110	V145 L171	P141-V145 HydrophobicContact CB-CB 3.42Å; P141-V145 VanDerWaalsContact CB-CB 3.42Å; P141-V145 HydrophobicContact CB-CG1 3.69Å; P141-V145 HydrophobicContact CB-CG2 3.43Å; P141-V145 VanDerWaalsContact CB-CG2 3.43Å; P141-L171 HydrophobicContact CG-CB 4.14Å
142	T	60.1	Low	73.3	Confident	74 Å²	74	49 Å²	49	45%	0.454	25%	0.25	S	C	.	.			trans	-62.7	171.9	164.8	53	0	0	0	0	109	Y140 N144 V145	Y140-T142 PolarHBondContact O-N 3.32Å; T142-N144 PolarHBondContact O-N 3.35Å; T142-V145 PolarHBondContact O-N 3.33Å
143	D	62.3	Low	73.1	Confident	119 Å²	119	48.7 Å²	48.7	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-9.9	174.1	-67.8	19.8	0	0	0	114.3	K172	D143-K172 WeakPolarHBondContact OD1-CE 3.36Å; D143-K172 IonicContact OD1-NZ 3.6Å; D143-K172 PolarHBondContact OD1-NZ 3.36Å; D143-K172 IonicContact OD2-NZ 2.72Å; D143-K172 PolarHBondContact OD2-NZ 3.3Å
144	N	69.7	Low	72.7	Confident	83 Å²	83	48.6 Å²	48.6	44%	0.444	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	4.2	-178.5	-54	-9.3	0	0	0	113.4	T142 A200 D201	T142-N144 PolarHBondContact O-N 3.35Å; N144-A200 CarbonylContact O-C 3.6Å; N144-A200 VanDerWaalsContact O-CA 3.25Å; N144-A200 WeakPolarHBondContact O-CA 3.31Å; N144-D201 WeakPolarHBondContact CA-OD2 3.49Å; N144-D201 HydrophobicContact CB-CB 4.4Å; N144-D201 VanDerWaalsContact CB-OD2 3.26Å; N144-D201 WeakPolarHBondContact CB-OD2 3.28Å; N144-D201 PolarHBondContact O-N 2.05Å
145	V	72.5	Confident	72.1	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	107.4	-178.3	174	0	0	0	0	112.9	P141 T142 C198	P141-V145 HydrophobicContact CB-CB 3.42Å; P141-V145 VanDerWaalsContact CB-CB 3.42Å; P141-V145 HydrophobicContact CB-CG1 3.69Å; P141-V145 HydrophobicContact CB-CG2 3.43Å; P141-V145 VanDerWaalsContact CB-CG2 3.43Å; T142-V145 PolarHBondContact O-N 3.33Å; V145-C198 HydrophobicContact CG1-CB 3.57Å
146	K	72.6	Confident	71.8	Confident	107 Å²	107	57.4 Å²	57.4	47%	0.465	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-38.3	-178.7	-60.2	-160.7	-176.9	-172.7	0	115.1	D168 K199 D201	K146-D168 WeakPolarHBondContact CA-OD1 3.22Å; K146-D168 WeakPolarHBondContact CA-OD2 3.22Å; K146-D168 PolarHBondContact O-N 3.41Å; K146-K199 PolarHBondContact N-O 2.64Å; K146-D201 WeakPolarHBondContact CE-OD1 3.35Å; K146-D201 IonicContact NZ-OD1 3.54Å
147	K	77.9	Confident	71.9	Confident	23 Å²	23	56.1 Å²	56.1	10%	0.1	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	136.1	-166.8	-169.2	166.4	-172.1	160.7	0	111.2	E21 L149 S165 T166 C198 K199 W205	E21-K147 IonicContact OE1-NZ 3.65Å; E21-K147 PolarHBondContact OE1-NZ 3.36Å; K147-L149 HydrophobicContact CG-CD2 4.45Å; K147-L149 HydrophobicContact CG-CG 4.49Å; K147-S165 VanDerWaalsContact CE-OG 3.27Å; K147-S165 WeakPolarHBondContact CE-OG 3.43Å; K147-T166 WeakPolarHBondContact CA-O 3.27Å; K147-C198 CarbonylContact O-C 3.55Å; K147-C198 WeakPolarHBondContact O-CA 3.32Å; K147-C198 WeakPolarHBondContact O-CB 2.92Å; K147-K199 PolarHBondContact O-N 3.48Å; K147-W205 HydrophobicContact CD-CH2 4.41Å; K147-W205 HydrophobicContact CG-CH2 4.33Å
148	C	80.6	Confident	72.4	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150	165.5	-64.6	0	0	0	0	110.8	S165 T166 L171 L196 T197 C198	C148-S165 WeakPolarHBondContact O-CA 3.36Å; C148-T166 PolarHBondContact N-O 2.83Å; C148-T166 PolarHBondContact O-N 3.11Å; C148-T166 VanDerWaalsContact O-N 3.16Å; C148-L171 HydrophobicContact CB-CD1 3.75Å; C148-L171 HydrophobicContact CB-CD2 4.2Å; C148-L171 WeakPolarHBondContact SG-CD1 3.25Å; C148-L196 HydrophobicContact CB-CD1 3.93Å; C148-T197 CarbonylContact C-O 3.39Å; C148-T197 WeakPolarHBondContact CA-O 3.39Å; C148-C198 HydrophobicContact CB-CB 3.97Å; C148-C198 WeakPolarHBondContact CB-SG 3.47Å; C148-C198 WeakPolarHBondContact SG-CB 3.22Å; C148-C198 CovalentContact SG-SG 2.02Å; C148-C198 PolarHBondContact SG-SG 2.84Å
149	L	82	Confident	73.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.6	179.8	-63.6	178.2	0	0	0	110.4	F41 K147 V151 K162 L164 S165 T197 W205	F41-L149 HydrophobicContact CD1-CD1 4.33Å; F41-L149 HydrophobicContact CE1-CD1 3.31Å; F41-L149 HydrophobicContact CZ-CD1 3.81Å; K147-L149 HydrophobicContact CG-CD2 4.45Å; K147-L149 HydrophobicContact CG-CG 4.49Å; L149-V151 HydrophobicContact CB-CG2 4.36Å; L149-K162 HydrophobicContact CD2-CD 4.23Å; L149-K162 HydrophobicContact CD2-CG 4.29Å; L149-L164 WeakPolarHBondContact CA-O 3.41Å; L149-S165 WeakPolarHBondContact CD2-OG 3.39Å; L149-T197 PolarHBondContact N-O 2.91Å; L149-T197 PolarHBondContact O-N 2.87Å; L149-W205 HydrophobicContact CB-CZ3 4.24Å; L149-W205 HydrophobicContact CD1-CH2 3.23Å; L149-W205 HydrophobicContact CD1-CZ2 3.98Å; L149-W205 HydrophobicContact CD1-CZ3 3.69Å; L149-W205 HydrophobicContact CG-CH2 3.67Å; L149-W205 HydrophobicContact CG-CZ3 3.81Å
150	L	85.1	Confident	74.8	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.9	155.3	-75.7	174.7	0	0	0	108.6	V163 L164 V179 Q194 L196	L150-V163 HydrophobicContact CB-CB 4.36Å; L150-V163 PolarHBondContact O-N 2.89Å; L150-L164 HydrophobicContact CB-CB 3.97Å; L150-L164 HydrophobicContact CD1-CB 4.03Å; L150-L164 HydrophobicContact CD1-CD2 4.24Å; L150-L164 HydrophobicContact CG-CB 4.23Å; L150-L164 PolarHBondContact N-O 3.08Å; L150-L164 VanDerWaalsContact N-O 3.07Å; L150-V179 HydrophobicContact CD1-CG1 3.42Å; L150-V179 VanDerWaalsContact CD1-CG1 3.42Å; L150-V179 WeakPolarHBondContact CD1-O 3.43Å; L150-V179 HydrophobicContact CD2-CG1 4.17Å; L150-V179 HydrophobicContact CG-CG1 3.9Å; L150-Q194 HydrophobicContact CD2-CB 4Å; L150-L196 HydrophobicContact CD2-CB 4Å; L150-L196 HydrophobicContact CD2-CD1 4.33Å; L150-L196 HydrophobicContact CG-CD1 4.27Å
151	V	83.5	Confident	75.7	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.9	-177.8	-176.1	0	0	0	0	109.9	F41 T44 L149 K160 R161 Q194	F41-V151 HydrophobicContact CB-CB 4.49Å; F41-V151 HydrophobicContact CB-CG1 3.98Å; F41-V151 HydrophobicContact CB-CG2 4.17Å; F41-V151 HydrophobicContact CD1-CG2 3.63Å; F41-V151 HydrophobicContact CD2-CB 4.31Å; F41-V151 HydrophobicContact CD2-CG1 3.53Å; F41-V151 HydrophobicContact CD2-CG2 3.75Å; F41-V151 HydrophobicContact CE1-CG2 3.91Å; F41-V151 HydrophobicContact CE2-CG1 4.22Å; F41-V151 HydrophobicContact CE2-CG2 4Å; F41-V151 HydrophobicContact CG-CB 4.25Å; F41-V151 HydrophobicContact CG-CG1 3.82Å; F41-V151 HydrophobicContact CG-CG2 3.55Å; F41-V151 HydrophobicContact CZ-CG2 4.07Å; T44-V151 HydrophobicContact CG2-CB 4.31Å; T44-V151 HydrophobicContact CG2-CG1 4Å; L149-V151 HydrophobicContact CB-CG2 4.36Å; V151-K160 HydrophobicContact CG1-CB 3.99Å; V151-R161 WeakPolarHBondContact CA-O 3.04Å; V151-Q194 WeakPolarHBondContact O-CG 3.43Å
152	G	84.1	Confident	76.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-171.6	175.7	0	0	0	0	0	113	K160 R161	G152-K160 CarbonylContact O-C 3.44Å; G152-K160 VanDerWaalsContact O-CA 3.31Å; G152-K160 WeakPolarHBondContact O-CA 3.26Å; G152-R161 PolarHBondContact N-O 2.92Å; G152-R161 PolarHBondContact O-N 2.79Å
153	F	83.6	Confident	77.2	Confident	17 Å²	17	56 Å²	56	8%	0.075	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.6	170.6	-74.4	-95.2	0	0	0	110.6	T44 V45 L46 V55 Q159 K160	T44-F153 HydrophobicContact CG2-CE2 3.94Å; T44-F153 HydrophobicContact CG2-CZ 4.42Å; V45-F153 WeakPolarHBondContact O-CE2 3.25Å; L46-F153 HydrophobicContact CB-CD1 4.39Å; L46-F153 HydrophobicContact CB-CD2 4.23Å; L46-F153 HydrophobicContact CB-CE1 3.97Å; L46-F153 HydrophobicContact CB-CE2 3.8Å; L46-F153 HydrophobicContact CB-CZ 3.66Å; L46-F153 HydrophobicContact CD1-CD2 4.22Å; L46-F153 HydrophobicContact CD1-CG 4.46Å; L46-F153 HydrophobicContact CD2-CD1 4.12Å; L46-F153 HydrophobicContact CD2-CE1 4.38Å; L46-F153 HydrophobicContact CD2-CG 4.29Å; V55-F153 HydrophobicContact CG1-CE2 4.39Å; V55-F153 HydrophobicContact CG2-CD2 4.04Å; F153-Q159 WeakPolarHBondContact CA-O 3.45Å; F153-K160 HydrophobicContact CD1-CG 4.4Å; F153-K160 HydrophobicContact CE1-CG 3.87Å; F153-K160 HydrophobicContact CZ-CG 4.04Å
154	S	78.3	Confident	77.7	Confident	5 Å²	5	51.9 Å²	51.9	4%	0.035	24%	0.243	C	C	.	.			trans	-56.7	159.6	169.3	67.8	0	0	0	0	110.8	R156 E157 T158 Q159	S154-R156 PolarHBondContact O-N 2.77Å; S154-R156 VanDerWaalsContact O-N 3.09Å; S154-E157 WeakPolarHBondContact O-CA 3.18Å; S154-E157 PolarHBondContact O-N 2.79Å; S154-E157 PolarHBondContact OG-N 2.82Å; S154-T158 PolarHBondContact OG-N 3.21Å; S154-Q159 PolarHBondContact N-O 2.88Å
155	P	73	Confident	77.5	Confident	68 Å²	68	50.8 Å²	50.8	44%	0.442	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.2	176.6	-27	34.7	0	0	0	113.9	E157	P155-E157 VanDerWaalsContact C-N 3.34Å
156	R	77.5	Confident	77.1	Confident	218 Å²	218	51.1 Å²	51.1	82%	0.823	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.1	175	-64.1	-173.4	-178.2	-179.7	0.8	113.6	S154 T158	S154-R156 PolarHBondContact O-N 2.77Å; S154-R156 VanDerWaalsContact O-N 3.09Å; R156-T158 HydrophobicContact CB-CG2 4.26Å; R156-T158 PolarHBondContact O-N 2.81Å
157	E	77.6	Confident	76.6	Confident	33 Å²	33	50 Å²	50	15%	0.154	25%	0.25	C	S	.	.	S	Bend	trans	60.3	15.5	178.1	-62.4	156.5	-149.4	0	0	115.2	L46 K48 K53 S154 P155	L46-E157 HydrophobicContact CD2-CB 3.58Å; L46-E157 HydrophobicContact CD2-CG 3.71Å; K48-E157 WeakPolarHBondContact CE-OE2 3.31Å; K48-E157 IonicContact NZ-OE2 3.92Å; K48-E157 PolarHBondContact NZ-OE2 2.93Å; K53-E157 VanDerWaalsContact CD-CD 3.43Å; K53-E157 WeakPolarHBondContact CD-OE1 3.01Å; K53-E157 WeakPolarHBondContact CD-OE2 2.9Å; K53-E157 VanDerWaalsContact CE-OE1 3.32Å; K53-E157 WeakPolarHBondContact CE-OE1 3.13Å; K53-E157 VanDerWaalsContact NZ-CD 3.3Å; K53-E157 IonicContact NZ-OE1 2.71Å; K53-E157 PolarHBondContact NZ-OE1 2.82Å; K53-E157 IonicContact NZ-OE2 3.54Å; K53-E157 PolarHBondContact NZ-OE2 2.72Å; S154-E157 WeakPolarHBondContact O-CA 3.18Å; S154-E157 PolarHBondContact O-N 2.79Å; S154-E157 PolarHBondContact OG-N 2.82Å; P155-E157 VanDerWaalsContact C-N 3.34Å
158	T	73.3	Confident	75.2	Confident	107 Å²	107	52.7 Å²	52.7	66%	0.656	27%	0.265	S	S	*	.	S	Bend	trans	-86.6	-21	-178	52.6	0	0	0	0	112.5	S154 R156	S154-T158 PolarHBondContact OG-N 3.21Å; R156-T158 HydrophobicContact CB-CG2 4.26Å; R156-T158 PolarHBondContact O-N 2.81Å
159	Q	77.1	Confident	73.7	Confident	114 Å²	114	61 Å²	61	53%	0.533	30%	0.303	S	S	.	.	S	Bend	trans	-140.4	138.6	-171	-66.7	177.8	-4.4	0	0	110.9	F153 S154	F153-Q159 WeakPolarHBondContact CA-O 3.45Å; S154-Q159 PolarHBondContact N-O 2.88Å
160	K	83.6	Confident	72.2	Confident	37 Å²	37	65 Å²	65	16%	0.161	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.7	166.9	-64.4	173.6	-179.6	177.8	0	109	F41 T44 S100 V151 G152 F153	F41-K160 HydrophobicContact CB-CD 4.3Å; F41-K160 HydrophobicContact CD2-CB 4.4Å; F41-K160 PolarHBondContact O-NZ 3.1Å; T44-K160 WeakPolarHBondContact O-CE 3Å; T44-K160 PolarHBondContact O-NZ 2.8Å; S100-K160 WeakPolarHBondContact OG-CE 3.47Å; S100-K160 PolarHBondContact OG-NZ 2.87Å; V151-K160 HydrophobicContact CG1-CB 3.99Å; G152-K160 CarbonylContact O-C 3.44Å; G152-K160 VanDerWaalsContact O-CA 3.31Å; G152-K160 WeakPolarHBondContact O-CA 3.26Å; F153-K160 HydrophobicContact CD1-CG 4.4Å; F153-K160 HydrophobicContact CE1-CG 3.87Å; F153-K160 HydrophobicContact CZ-CG 4.04Å
161	R	77.3	Confident	70.7	Confident	134 Å²	134	66.3 Å²	66.3	51%	0.506	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.6	179.4	-67.7	-170.8	170.7	-171.4	-4	110.4	V151 G152 V163	V151-R161 WeakPolarHBondContact CA-O 3.04Å; G152-R161 PolarHBondContact N-O 2.92Å; G152-R161 PolarHBondContact O-N 2.79Å; R161-V163 PolarHBondContact O-N 3.36Å
162	K	77.7	Confident	69.2	Low	76 Å²	76	72 Å²	72	33%	0.33	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	120.1	164	-64.5	171.6	-179.3	167.5	0	106.3	E21 F41 L149	E21-K162 WeakPolarHBondContact O-CE 3.19Å; E21-K162 PolarHBondContact O-NZ 3.1Å; E21-K162 IonicContact OE2-NZ 3.63Å; E21-K162 PolarHBondContact OE2-NZ 2.94Å; F41-K162 HydrophobicContact CE2-CG 3.92Å; F41-K162 HydrophobicContact CZ-CD 4.24Å; F41-K162 HydrophobicContact CZ-CG 3.63Å; L149-K162 HydrophobicContact CD2-CD 4.23Å; L149-K162 HydrophobicContact CD2-CG 4.29Å
163	V	72.7	Confident	67.7	Low	26 Å²	26	81.2 Å²	81.2	16%	0.158	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-35.1	179.2	177.5	0	0	0	0	110.3	L150 R161 S183 F191	L150-V163 HydrophobicContact CB-CB 4.36Å; L150-V163 PolarHBondContact O-N 2.89Å; R161-V163 PolarHBondContact O-N 3.36Å; V163-S183 WeakPolarHBondContact CG1-O 3.41Å; V163-F191 HydrophobicContact CG1-CD1 4.07Å; V163-F191 HydrophobicContact CG1-CE1 3.93Å; V163-F191 HydrophobicContact CG2-CD1 4.37Å; V163-F191 HydrophobicContact CG2-CE1 4.12Å
164	L	71.2	Confident	66.2	Low	33 Å²	33	89.9 Å²	89.9	17%	0.173	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.5	170.1	-173	71.9	0	0	0	108.2	L149 L150 T166 V179	L149-L164 WeakPolarHBondContact CA-O 3.41Å; L150-L164 HydrophobicContact CB-CB 3.97Å; L150-L164 HydrophobicContact CD1-CB 4.03Å; L150-L164 HydrophobicContact CD1-CD2 4.24Å; L150-L164 HydrophobicContact CG-CB 4.23Å; L150-L164 PolarHBondContact N-O 3.08Å; L150-L164 VanDerWaalsContact N-O 3.07Å; L164-T166 HydrophobicContact CD1-CG2 4.37Å; L164-T166 HydrophobicContact CD2-CG2 4.17Å; L164-T166 HydrophobicContact CG-CG2 4.12Å; L164-V179 HydrophobicContact CD2-CB 4.4Å; L164-V179 HydrophobicContact CD2-CG1 4.18Å; L164-V179 HydrophobicContact CD2-CG2 3.92Å
165	S	65.9	Low	65.2	Low	61 Å²	61	90.9 Å²	90.9	43%	0.427	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	107.3	170	175.5	0	0	0	0	108.9	K147 C148 L149	K147-S165 VanDerWaalsContact CE-OG 3.27Å; K147-S165 WeakPolarHBondContact CE-OG 3.43Å; C148-S165 WeakPolarHBondContact O-CA 3.36Å; L149-S165 WeakPolarHBondContact CD2-OG 3.39Å
166	T	65.1	Low	64.5	Low	13 Å²	13	91.1 Å²	91.1	8%	0.08	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.9	176.7	55.8	0	0	0	0	109.8	K147 C148 L164 L171	K147-T166 WeakPolarHBondContact CA-O 3.27Å; C148-T166 PolarHBondContact N-O 2.83Å; C148-T166 PolarHBondContact O-N 3.11Å; C148-T166 VanDerWaalsContact O-N 3.16Å; L164-T166 HydrophobicContact CD1-CG2 4.37Å; L164-T166 HydrophobicContact CD2-CG2 4.17Å; L164-T166 HydrophobicContact CG-CG2 4.12Å; T166-L171 VanDerWaalsContact OG1-CD1 3.26Å; T166-L171 WeakPolarHBondContact OG1-CD1 3.43Å
167	S	60.7	Low	63.6	Low	84 Å²	84	86.2 Å²	86.2	59%	0.587	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	158.5	163.6	49.7	0	0	0	0	110.7	H169 V170	S167-H169 PolarHBondContact O-N 2.86Å; S167-V170 PolarHBondContact O-N 2.89Å
168	D	50.3	Low	63.1	Low	78 Å²	78	88.4 Å²	88.4	42%	0.417	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-25.3	-24.6	-176.5	-88.4	-61.2	0	0	0	120.1	K146	K146-D168 WeakPolarHBondContact CA-OD1 3.22Å; K146-D168 WeakPolarHBondContact CA-OD2 3.22Å; K146-D168 PolarHBondContact O-N 3.41Å
169	H	47.6	Very low	63.1	Low	175 Å²	175	83.3 Å²	83.3	81%	0.81	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-13.5	-169.6	-74.8	-58.9	0	0	0	116.4	S167	S167-H169 PolarHBondContact O-N 2.86Å
170	V	50.3	Low	63.1	Low	85 Å²	85	77.9 Å²	77.9	52%	0.515	38%	0.375	S	S	.	.	S	Bend	trans	-103.1	-18.1	-165.6	-172.9	0	0	0	0	114.3	S167 K172 L175	S167-V170 PolarHBondContact O-N 2.89Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 2.99Å; V170-L175 HydrophobicContact CG1-CD1 3.72Å; V170-L175 VanDerWaalsContact O-CD1 3.22Å; V170-L175 WeakPolarHBondContact O-CD1 2.88Å
171	L	55.5	Low	62.5	Low	27 Å²	27	80.7 Å²	80.7	14%	0.141	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.1	-174.6	-76.9	143.9	0	0	0	114.8	P141 C148 T166 Q173	P141-L171 HydrophobicContact CG-CB 4.14Å; C148-L171 HydrophobicContact CB-CD1 3.75Å; C148-L171 HydrophobicContact CB-CD2 4.2Å; C148-L171 WeakPolarHBondContact SG-CD1 3.25Å; T166-L171 VanDerWaalsContact OG1-CD1 3.26Å; T166-L171 WeakPolarHBondContact OG1-CD1 3.43Å; L171-Q173 VanDerWaalsContact C-N 3.31Å; L171-Q173 PolarHBondContact O-N 2.99Å; L171-Q173 VanDerWaalsContact O-N 3.08Å
172	K	51.9	Low	62	Low	121 Å²	121	78.4 Å²	78.4	53%	0.526	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-3.8	-159.1	-108.1	-176	176.6	-171.2	0	117.3	D143 V170	D143-K172 WeakPolarHBondContact OD1-CE 3.36Å; D143-K172 IonicContact OD1-NZ 3.6Å; D143-K172 PolarHBondContact OD1-NZ 3.36Å; D143-K172 IonicContact OD2-NZ 2.72Å; D143-K172 PolarHBondContact OD2-NZ 3.3Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 2.99Å
173	Q	51.1	Low	61.2	Low	194 Å²	194	74.9 Å²	74.9	91%	0.907	37%	0.367	S	S	*	.	S	Bend	trans	-164.7	4.2	179.5	-113.5	153.5	16.7	0	0	118.6	L171	L171-Q173 VanDerWaalsContact C-N 3.31Å; L171-Q173 PolarHBondContact O-N 2.99Å; L171-Q173 VanDerWaalsContact O-N 3.08Å
174	R	52.8	Low	60.4	Low	198 Å²	198	77.7 Å²	77.7	75%	0.747	38%	0.384	S	S	*	.	S	Bend	trans	-138.3	4.9	-171.7	-84.9	-170.5	180	178.3	-0.1	118.3
175	L	56.8	Low	59.3	Low	26 Å²	26	80.5 Å²	80.5	14%	0.136	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	33.5	-154	-96.8	138.6	0	0	0	115.8	V170 E178 V179	V170-L175 HydrophobicContact CG1-CD1 3.72Å; V170-L175 VanDerWaalsContact O-CD1 3.22Å; V170-L175 WeakPolarHBondContact O-CD1 2.88Å; L175-E178 HydrophobicContact CD2-CB 3.96Å; L175-E178 HydrophobicContact CG-CB 4.09Å; L175-V179 HydrophobicContact CB-CG2 3.8Å; L175-V179 HydrophobicContact CD2-CB 4.27Å; L175-V179 HydrophobicContact CD2-CG2 3.41Å; L175-V179 VanDerWaalsContact CD2-CG2 3.41Å; L175-V179 HydrophobicContact CG-CG2 4.19Å; L175-V179 VanDerWaalsContact O-CB 3.27Å; L175-V179 WeakPolarHBondContact O-CB 3.34Å; L175-V179 WeakPolarHBondContact O-CG2 3.46Å
176	E	58.4	Low	58.5	Low	73 Å²	73	85.5 Å²	85.5	34%	0.341	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-58.3	159.7	-66.5	-156.2	132	0	0	110.3	Y140 H220	Y140-E176 HydrophobicContact CE1-CG 3.87Å; Y140-E176 VanDerWaalsContact CE1-OE1 3.22Å; Y140-E176 WeakPolarHBondContact CE1-OE1 3.31Å; Y140-E176 PolarHBondContact OH-OE1 2.89Å; Y140-E176 PolarHBondContact OH-OE2 2.97Å; E176-H220 HydrophobicContact CB-CB 4.22Å; E176-H220 WeakPolarHBondContact O-CB 3.11Å; E176-H220 IonicContact OE1-CD2 3.8Å
177	E	58.1	Low	57.8	Low	115 Å²	115	87 Å²	87	54%	0.537	44%	0.443	S	S	.	.	H	α-helix	trans	-70.4	-37.2	-177.3	-62.4	-173.8	-169.2	0	0	112.1	R181	E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 3.34Å; E177-R181 IonicContact OE2-CZ 2.99Å; E177-R181 IonicContact OE2-NH1 2.64Å; E177-R181 PolarHBondContact OE2-NH1 3.09Å; E177-R181 IonicContact OE2-NH2 3.61Å; E177-R181 PolarHBondContact OE2-NH2 3.15Å
178	E	67.5	Low	57.5	Low	79 Å²	79	87.5 Å²	87.5	37%	0.369	45%	0.452	S	S	.	.	H	α-helix	trans	-76.6	-26.9	-176.8	-68.6	-174.5	-173.9	0	0	113.3	L175 C180 R181 N182	L175-E178 HydrophobicContact CD2-CB 3.96Å; L175-E178 HydrophobicContact CG-CB 4.09Å; E178-C180 VanDerWaalsContact C-N 3.29Å; E178-C180 PolarHBondContact O-N 2.91Å; E178-R181 PolarHBondContact O-N 3.29Å; E178-N182 WeakPolarHBondContact O-CB 3.32Å; E178-N182 VanDerWaalsContact O-CG 3.29Å; E178-N182 PolarHBondContact O-N 2.82Å
179	V	74.1	Confident	57.9	Low	0 Å²	0	84.6 Å²	84.6	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-59.8	-44.5	-177.5	156.4	0	0	0	0	110.4	L150 L164 L175 S183 L196	L150-V179 HydrophobicContact CD1-CG1 3.42Å; L150-V179 VanDerWaalsContact CD1-CG1 3.42Å; L150-V179 WeakPolarHBondContact CD1-O 3.43Å; L150-V179 HydrophobicContact CD2-CG1 4.17Å; L150-V179 HydrophobicContact CG-CG1 3.9Å; L164-V179 HydrophobicContact CD2-CB 4.4Å; L164-V179 HydrophobicContact CD2-CG1 4.18Å; L164-V179 HydrophobicContact CD2-CG2 3.92Å; L175-V179 HydrophobicContact CB-CG2 3.8Å; L175-V179 HydrophobicContact CD2-CB 4.27Å; L175-V179 HydrophobicContact CD2-CG2 3.41Å; L175-V179 VanDerWaalsContact CD2-CG2 3.41Å; L175-V179 HydrophobicContact CG-CG2 4.19Å; L175-V179 VanDerWaalsContact O-CB 3.27Å; L175-V179 WeakPolarHBondContact O-CB 3.34Å; L175-V179 WeakPolarHBondContact O-CG2 3.46Å; V179-S183 WeakPolarHBondContact O-CB 3.5Å; V179-S183 PolarHBondContact O-N 3.39Å; V179-L196 HydrophobicContact CG1-CD1 4.12Å; V179-L196 HydrophobicContact CG1-CD2 4.4Å
180	C	76.9	Confident	58.6	Low	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-80.7	-36.2	-179	-62.4	0	0	0	0	112.1	E178 S183 C211 L218	E178-C180 VanDerWaalsContact C-N 3.29Å; E178-C180 PolarHBondContact O-N 2.91Å; C180-S183 WeakPolarHBondContact O-CB 3.34Å; C180-S183 PolarHBondContact O-N 2.9Å; C180-S183 PolarHBondContact O-OG 2.82Å; C180-C211 WeakPolarHBondContact CA-SG 3.49Å; C180-C211 HydrophobicContact CB-CB 3.74Å; C180-C211 WeakPolarHBondContact CB-SG 3.46Å; C180-C211 WeakPolarHBondContact SG-CA 3.44Å; C180-C211 WeakPolarHBondContact SG-CB 3.21Å; C180-C211 CovalentContact SG-SG 2.05Å; C180-C211 PolarHBondContact SG-SG 3.3Å; C180-L218 HydrophobicContact CB-CB 4.17Å; C180-L218 WeakPolarHBondContact O-CD1 3.39Å
181	R	71.8	Confident	59.5	Low	97 Å²	97	75.2 Å²	75.2	37%	0.366	39%	0.392	S	S	.	.	H	α-helix	trans	-67.4	-43.2	176.3	-68.1	-178.2	-167.1	149	7.5	112.5	E177 E178 S183 T184 E217 L218	E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 3.34Å; E177-R181 IonicContact OE2-CZ 2.99Å; E177-R181 IonicContact OE2-NH1 2.64Å; E177-R181 PolarHBondContact OE2-NH1 3.09Å; E177-R181 IonicContact OE2-NH2 3.61Å; E177-R181 PolarHBondContact OE2-NH2 3.15Å; E178-R181 PolarHBondContact O-N 3.29Å; R181-S183 PolarHBondContact O-N 2.61Å; R181-T184 PolarHBondContact O-OG1 2.93Å; R181-T184 VanDerWaalsContact O-OG1 3.09Å; R181-E217 IonicContact CZ-OE1 2.61Å; R181-E217 IonicContact NE-OE1 3.2Å; R181-E217 IonicContact NH2-OE1 2.68Å; R181-E217 PolarHBondContact NH2-OE1 3.09Å; R181-L218 HydrophobicContact CG-CB 4.46Å
182	N	65.2	Low	60.7	Low	86 Å²	86	76.4 Å²	76.4	46%	0.46	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.3	179.3	-65	-13.7	0	0	0	112.9	E178 T184 V185	E178-N182 WeakPolarHBondContact O-CB 3.32Å; E178-N182 VanDerWaalsContact O-CG 3.29Å; E178-N182 PolarHBondContact O-N 2.82Å; N182-T184 PolarHBondContact O-N 3.2Å; N182-V185 WeakPolarHBondContact O-CG2 3.37Å
183	S	60.8	Low	62.4	Low	1 Å²	1	70.7 Å²	70.7	1%	0.007	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-10	176.3	78	0	0	0	0	113.3	V163 V179 C180 R181 V185	V163-S183 WeakPolarHBondContact CG1-O 3.41Å; V179-S183 WeakPolarHBondContact O-CB 3.5Å; V179-S183 PolarHBondContact O-N 3.39Å; C180-S183 WeakPolarHBondContact O-CB 3.34Å; C180-S183 PolarHBondContact O-N 2.9Å; C180-S183 PolarHBondContact O-OG 2.82Å; R181-S183 PolarHBondContact O-N 2.61Å; S183-V185 PolarHBondContact O-N 2.69Å
184	T	55.6	Low	64.2	Low	86 Å²	86	61.4 Å²	61.4	53%	0.528	33%	0.329	S	S	.	.			trans	-77.8	30.6	-176.9	59.6	0	0	0	0	113.9	R181 N182 D186 L218	R181-T184 PolarHBondContact O-OG1 2.93Å; R181-T184 VanDerWaalsContact O-OG1 3.09Å; N182-T184 PolarHBondContact O-N 3.2Å; T184-D186 PolarHBondContact O-N 3.38Å; T184-D186 VanDerWaalsContact O-N 3.09Å; T184-L218 HydrophobicContact CG2-CD1 3.65Å
185	V	49.8	Very low	65.9	Low	92 Å²	92	52.1 Å²	52.1	56%	0.558	30%	0.295	S	S	*	.			trans	-61.4	111.2	-178.6	-172.9	0	0	0	0	110.3	N182 S183 G187	N182-V185 WeakPolarHBondContact O-CG2 3.37Å; S183-V185 PolarHBondContact O-N 2.69Å; V185-G187 PolarHBondContact O-N 3.07Å
186	D	48.7	Very low	67.3	Low	165 Å²	165	51.4 Å²	51.4	88%	0.882	29%	0.291	S	S	*	.	S	Bend	trans	26.9	80.5	164.2	-72.8	-23.6	0	0	0	116.7	T184	T184-D186 PolarHBondContact O-N 3.38Å; T184-D186 VanDerWaalsContact O-N 3.09Å
187	G	50.5	Low	68.7	Low	45 Å²	45	48 Å²	48	46%	0.464	28%	0.276	S	S	.	.	S	Bend	trans	155.2	151.9	161.6	0	0	0	0	0	114.7	V185 G189 F191	V185-G187 PolarHBondContact O-N 3.07Å; G187-G189 PolarHBondContact O-N 2.96Å; G187-F191 WeakPolarHBondContact O-CE2 3.4Å; G187-F191 WeakPolarHBondContact O-CZ 3.39Å
188	A	54.9	Low	69.9	Low	95 Å²	95	42.6 Å²	42.6	79%	0.785	25%	0.25	S	S	*	.			trans	-72.4	46.3	178.3	0	0	0	0	0	113.9
189	G	57.6	Low	70.6	Confident	17 Å²	17	41.3 Å²	41.3	18%	0.175	24%	0.244	C	C	.	.			trans	-76.2	170	176.6	0	0	0	0	0	113.6	G187 F191	G187-G189 PolarHBondContact O-N 2.96Å; G189-F191 VanDerWaalsContact C-CE2 3.4Å; G189-F191 VanDerWaalsContact CA-CE2 3.44Å; G189-F191 VanDerWaalsContact N-CE2 3.33Å; G189-F191 WeakPolarHBondContact O-CD2 3.4Å; G189-F191 WeakPolarHBondContact O-CE2 3.47Å
190	T	63.3	Low	70.7	Confident	20 Å²	20	42.2 Å²	42.2	12%	0.123	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-88.3	111.4	170.1	-52.6	0	0	0	0	109.4	L46 K53 C54 V55	L46-T190 HydrophobicContact CD1-CG2 4.41Å; K53-T190 HydrophobicContact CB-CG2 4.38Å; K53-T190 VanDerWaalsContact O-CG2 3.25Å; K53-T190 WeakPolarHBondContact O-CG2 3.36Å; C54-T190 VanDerWaalsContact CA-CG2 3.49Å; V55-T190 HydrophobicContact CG2-CG2 4.26Å; V55-T190 WeakPolarHBondContact CG2-O 3.47Å
191	F	67.4	Low	70.4	Confident	43 Å²	43	46.4 Å²	46.4	19%	0.189	27%	0.273	C	S	.	.			trans	-112.2	-17.7	-174.8	-56.9	-89.6	0	0	0	115	V163 G187 G189 G193 Q194	V163-F191 HydrophobicContact CG1-CD1 4.07Å; V163-F191 HydrophobicContact CG1-CE1 3.93Å; V163-F191 HydrophobicContact CG2-CD1 4.37Å; V163-F191 HydrophobicContact CG2-CE1 4.12Å; G187-F191 WeakPolarHBondContact O-CE2 3.4Å; G187-F191 WeakPolarHBondContact O-CZ 3.39Å; G189-F191 VanDerWaalsContact C-CE2 3.4Å; G189-F191 VanDerWaalsContact CA-CE2 3.44Å; G189-F191 VanDerWaalsContact N-CE2 3.33Å; G189-F191 WeakPolarHBondContact O-CD2 3.4Å; G189-F191 WeakPolarHBondContact O-CE2 3.47Å; F191-G193 PolarHBondContact O-N 3.31Å; F191-Q194 VanDerWaalsContact O-CG 3.22Å; F191-Q194 WeakPolarHBondContact O-CG 3.5Å; F191-Q194 PolarHBondContact O-N 2.83Å
192	E	80.8	Confident	70.4	Confident	51 Å²	51	46 Å²	46	24%	0.238	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	128.3	179.3	-67.4	-180	-157.6	0	0	110.6	V55 K213	V55-E192 WeakPolarHBondContact CA-O 3.49Å; V55-E192 WeakPolarHBondContact CB-O 3.42Å; V55-E192 PolarHBondContact N-O 2.89Å; E192-K213 HydrophobicContact CG-CD 4.26Å; E192-K213 VanDerWaalsContact OE1-CD 3.29Å; E192-K213 WeakPolarHBondContact OE1-CD 3.47Å; E192-K213 WeakPolarHBondContact OE1-CE 3.49Å; E192-K213 IonicContact OE1-NZ 3.58Å; E192-K213 PolarHBondContact OE1-NZ 2.79Å
193	G	88.5	Confident	70.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.01	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	10.6	178.3	0	0	0	0	0	115.9	V55 F191 G195 C211	V55-G193 CarbonylContact O-C 3.56Å; V55-G193 WeakPolarHBondContact O-CA 3.38Å; F191-G193 PolarHBondContact O-N 3.31Å; G193-G195 PolarHBondContact O-N 2.9Å; G193-C211 VanDerWaalsContact CA-O 3.24Å; G193-C211 WeakPolarHBondContact CA-O 3.25Å; G193-C211 PolarHBondContact N-O 2.96Å
194	Q	88.6	Confident	71.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	29%	0.286	C	S	.	.			trans	-60.1	121.1	175	-71	177.8	-7.7	0	0	110.8	V55 L150 V151 F191 F210 C211	V55-Q194 HydrophobicContact CB-CG 4.25Å; V55-Q194 HydrophobicContact CG1-CG 4.43Å; V55-Q194 HydrophobicContact CG2-CG 3.89Å; L150-Q194 HydrophobicContact CD2-CB 4Å; V151-Q194 WeakPolarHBondContact O-CG 3.43Å; F191-Q194 VanDerWaalsContact O-CG 3.22Å; F191-Q194 WeakPolarHBondContact O-CG 3.5Å; F191-Q194 PolarHBondContact O-N 2.83Å; Q194-F210 CarbonylContact O-C 3.58Å; Q194-F210 WeakPolarHBondContact O-CA 3.44Å; Q194-F210 VanDerWaalsContact O-CB 3.31Å; Q194-F210 WeakPolarHBondContact O-CB 3.38Å; Q194-C211 PolarHBondContact O-N 3.19Å
195	G	88.6	Confident	72.9	Confident	3 Å²	3	42.8 Å²	42.8	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.9	175.7	0	0	0	0	0	111.4	G193 T197 G209	G193-G195 PolarHBondContact O-N 2.9Å; G195-T197 PolarHBondContact O-N 2.7Å; G195-G209 CarbonylContact C-O 3.58Å; G195-G209 WeakPolarHBondContact CA-O 3.14Å
196	L	87.2	Confident	74.6	Confident	11 Å²	11	38.7 Å²	38.7	6%	0.058	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	102.4	166.4	179.8	64.5	0	0	0	107.7	C148 L150 V179 Y208 G209	C148-L196 HydrophobicContact CB-CD1 3.93Å; L150-L196 HydrophobicContact CD2-CB 4Å; L150-L196 HydrophobicContact CD2-CD1 4.33Å; L150-L196 HydrophobicContact CG-CD1 4.27Å; V179-L196 HydrophobicContact CG1-CD1 4.12Å; V179-L196 HydrophobicContact CG1-CD2 4.4Å; L196-Y208 PolarHBondContact O-N 3.35Å; L196-G209 PolarHBondContact N-O 3.18Å
197	T	87.3	Confident	76.5	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.2	177.8	63	0	0	0	0	110.3	I133 C148 L149 G195 W205 T206 L207	I133-T197 HydrophobicContact CD1-CG2 3.86Å; I133-T197 HydrophobicContact CG1-CG2 3.89Å; C148-T197 CarbonylContact C-O 3.39Å; C148-T197 WeakPolarHBondContact CA-O 3.39Å; L149-T197 PolarHBondContact N-O 2.91Å; L149-T197 PolarHBondContact O-N 2.87Å; G195-T197 PolarHBondContact O-N 2.7Å; T197-W205 WeakPolarHBondContact O-CZ3 2.89Å; T197-T206 CarbonylContact C-O 3.56Å; T197-T206 VanDerWaalsContact CA-O 3.25Å; T197-T206 WeakPolarHBondContact CA-O 3.22Å; T197-L207 HydrophobicContact CG2-CD1 3.96Å
198	C	83.3	Confident	78.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.4	179.3	-47.1	0	0	0	0	112	V145 K147 C148 W205 T206 Y208	V145-C198 HydrophobicContact CG1-CB 3.57Å; K147-C198 CarbonylContact O-C 3.55Å; K147-C198 WeakPolarHBondContact O-CA 3.32Å; K147-C198 WeakPolarHBondContact O-CB 2.92Å; C148-C198 HydrophobicContact CB-CB 3.97Å; C148-C198 WeakPolarHBondContact CB-SG 3.47Å; C148-C198 WeakPolarHBondContact SG-CB 3.22Å; C148-C198 CovalentContact SG-SG 2.02Å; C148-C198 PolarHBondContact SG-SG 2.84Å; C198-W205 CarbonylContact O-C 3.56Å; C198-W205 WeakPolarHBondContact O-CA 3.06Å; C198-T206 PolarHBondContact N-O 2.02Å; C198-T206 PolarHBondContact O-N 2.81Å; C198-Y208 HydrophobicContact CB-CD2 3.7Å; C198-Y208 HydrophobicContact CB-CE2 3.53Å; C198-Y208 VanDerWaalsContact SG-CD2 3.52Å
199	K	82	Confident	79.8	Confident	53 Å²	53	25.2 Å²	25.2	23%	0.23	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.7	178.6	-167.8	178.1	-175.4	176.3	0	109.2	K146 K147 G203 L204 W205	K146-K199 PolarHBondContact N-O 2.64Å; K147-K199 PolarHBondContact O-N 3.48Å; K199-G203 WeakPolarHBondContact CE-O 3.26Å; K199-L204 WeakPolarHBondContact CA-O 3.2Å; K199-W205 HydrophobicContact CB-CD2 3.89Å; K199-W205 HydrophobicContact CB-CE3 3.93Å; K199-W205 HydrophobicContact CB-CH2 3.99Å; K199-W205 HydrophobicContact CB-CZ2 4Å; K199-W205 HydrophobicContact CB-CZ3 3.96Å; K199-W205 HydrophobicContact CD-CZ2 3.97Å; K199-W205 HydrophobicContact CG-CD2 4.39Å; K199-W205 HydrophobicContact CG-CZ2 4.48Å
200	A	75.1	Confident	81.2	Confident	18 Å²	18	24.6 Å²	24.6	15%	0.149	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	176.9	173.9	0	0	0	0	0	111.5	N144 D202 G203 L204	N144-A200 CarbonylContact O-C 3.6Å; N144-A200 VanDerWaalsContact O-CA 3.25Å; N144-A200 WeakPolarHBondContact O-CA 3.31Å; A200-D202 PolarHBondContact O-N 3.02Å; A200-G203 WeakPolarHBondContact O-CA 3.4Å; A200-G203 PolarHBondContact O-N 2.81Å; A200-L204 PolarHBondContact N-O 2.88Å
201	D	71.7	Confident	82.4	Confident	89 Å²	89	23.7 Å²	23.7	48%	0.476	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.5	176.2	-74.5	-30.9	0	0	0	114.1	N144 K146 G203	N144-D201 WeakPolarHBondContact CA-OD2 3.49Å; N144-D201 HydrophobicContact CB-CB 4.4Å; N144-D201 VanDerWaalsContact CB-OD2 3.26Å; N144-D201 WeakPolarHBondContact CB-OD2 3.28Å; N144-D201 PolarHBondContact O-N 2.05Å; K146-D201 WeakPolarHBondContact CE-OD1 3.35Å; K146-D201 IonicContact NZ-OD1 3.54Å; D201-G203 PolarHBondContact O-N 3Å; D201-G203 VanDerWaalsContact O-N 3.15Å
202	D	72.2	Confident	83.2	Confident	88 Å²	88	21.7 Å²	21.7	47%	0.471	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.1	174.1	69	-1.5	0	0	0	113.2	A200 L204	A200-D202 PolarHBondContact O-N 3.02Å; D202-L204 VanDerWaalsContact C-N 3.25Å; D202-L204 PolarHBondContact O-N 2.77Å; D202-L204 WeakPolarHBondContact OD1-CB 3.39Å; D202-L204 PolarHBondContact OD1-N 2.97Å
203	G	73.2	Confident	83.1	Confident	26 Å²	26	22.9 Å²	22.9	27%	0.268	12%	0.124	S	C	.	.	S	Bend	trans	78.6	3.1	-178.8	0	0	0	0	0	114.3	K199 A200 D201	K199-G203 WeakPolarHBondContact CE-O 3.26Å; A200-G203 WeakPolarHBondContact O-CA 3.4Å; A200-G203 PolarHBondContact O-N 2.81Å; D201-G203 PolarHBondContact O-N 3Å; D201-G203 VanDerWaalsContact O-N 3.15Å
204	L	76.7	Confident	82.5	Confident	67 Å²	67	30.2 Å²	30.2	35%	0.351	16%	0.155	S	C	.	.			trans	-88	138.6	178.9	-61	179.5	0	0	0	110.9	T27 K199 A200 D202	T27-L204 HydrophobicContact CG2-CD2 4.32Å; K199-L204 WeakPolarHBondContact CA-O 3.2Å; A200-L204 PolarHBondContact N-O 2.88Å; D202-L204 VanDerWaalsContact C-N 3.25Å; D202-L204 PolarHBondContact O-N 2.77Å; D202-L204 WeakPolarHBondContact OD1-CB 3.39Å; D202-L204 PolarHBondContact OD1-N 2.97Å
205	W	84.4	Confident	81.9	Confident	12 Å²	12	33.7 Å²	33.7	5%	0.045	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.8	171.8	-69.4	93.4	0	0	0	110	W43 I133 K134 K147 L149 T197 C198 K199	W43-W205 HydrophobicContact CH2-CB 3.58Å; W43-W205 AromaticContact CH2-CD1 3.65Å; W43-W205 HydrophobicContact CH2-CD2 4.37Å; W43-W205 AromaticContact CH2-CG 3.59Å; W43-W205 HydrophobicContact CH2-CG 3.59Å; W43-W205 HydrophobicContact CZ2-CB 3.86Å; W43-W205 HydrophobicContact CZ2-CD2 4.31Å; W43-W205 AromaticContact CZ2-CG 3.9Å; W43-W205 HydrophobicContact CZ2-CG 3.9Å; W43-W205 HydrophobicContact CZ3-CB 4.34Å; I133-W205 HydrophobicContact CD1-CB 3.39Å; I133-W205 WeakPolarHBondContact CD1-O 3.48Å; K134-W205 WeakPolarHBondContact CB-O 3.47Å; K134-W205 PolarHBondContact N-O 2.83Å; K147-W205 HydrophobicContact CD-CH2 4.41Å; K147-W205 HydrophobicContact CG-CH2 4.33Å; L149-W205 HydrophobicContact CB-CZ3 4.24Å; L149-W205 HydrophobicContact CD1-CH2 3.23Å; L149-W205 HydrophobicContact CD1-CZ2 3.98Å; L149-W205 HydrophobicContact CD1-CZ3 3.69Å; L149-W205 HydrophobicContact CG-CH2 3.67Å; L149-W205 HydrophobicContact CG-CZ3 3.81Å; T197-W205 WeakPolarHBondContact O-CZ3 2.89Å; C198-W205 CarbonylContact O-C 3.56Å; C198-W205 WeakPolarHBondContact O-CA 3.06Å; K199-W205 HydrophobicContact CB-CD2 3.89Å; K199-W205 HydrophobicContact CB-CE3 3.93Å; K199-W205 HydrophobicContact CB-CH2 3.99Å; K199-W205 HydrophobicContact CB-CZ2 4Å; K199-W205 HydrophobicContact CB-CZ3 3.96Å; K199-W205 HydrophobicContact CD-CZ2 3.97Å; K199-W205 HydrophobicContact CG-CD2 4.39Å; K199-W205 HydrophobicContact CG-CZ2 4.48Å
206	T	85.5	Confident	81.2	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.5	178.2	-56.5	0	0	0	0	109.9	K134 D136 T197 C198 Y208	K134-T206 CarbonylContact O-C 3.59Å; K134-T206 WeakPolarHBondContact O-CA 2.94Å; D136-T206 HydrophobicContact CB-CG2 3.82Å; T197-T206 CarbonylContact C-O 3.56Å; T197-T206 VanDerWaalsContact CA-O 3.25Å; T197-T206 WeakPolarHBondContact CA-O 3.22Å; C198-T206 PolarHBondContact N-O 2.02Å; C198-T206 PolarHBondContact O-N 2.81Å; T206-Y208 HydrophobicContact CG2-CE2 4.16Å; T206-Y208 WeakPolarHBondContact O-CD2 3.43Å
207	L	88.5	Confident	80.7	Confident	1 Å²	1	43 Å²	43	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.3	172	-177	67.6	0	0	0	108.9	T57 V59 L71 I133 K134 V135 T197 G209 I223	T57-L207 HydrophobicContact CG2-CD1 4.29Å; T57-L207 HydrophobicContact CG2-CD2 4.15Å; V59-L207 HydrophobicContact CG1-CD2 3.94Å; L71-L207 HydrophobicContact CD2-CD2 4.13Å; I133-L207 HydrophobicContact CG1-CB 3.86Å; I133-L207 HydrophobicContact CG2-CB 3.76Å; I133-L207 HydrophobicContact CG2-CD2 4.18Å; I133-L207 HydrophobicContact CG2-CG 4.48Å; K134-L207 PolarHBondContact O-N 2.96Å; V135-L207 HydrophobicContact CG2-CB 4.36Å; V135-L207 HydrophobicContact CG2-CD2 4.35Å; T197-L207 HydrophobicContact CG2-CD1 3.96Å; L207-G209 WeakPolarHBondContact CD1-O 3.37Å; L207-I223 HydrophobicContact CD2-CD1 3.64Å; L207-I223 HydrophobicContact CD2-CG1 4.11Å; L207-I223 HydrophobicContact CG-CD1 4.3Å; L207-I223 HydrophobicContact CG-CG1 4.35Å; L207-I223 WeakPolarHBondContact O-CG2 3.3Å
208	Y	85.7	Confident	80.4	Confident	22 Å²	22	44.2 Å²	44.2	9%	0.086	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-24.4	176.9	-79.7	-91.5	0	0	0	112.7	Y140 L196 C198 T206 I223	Y140-Y208 WeakPolarHBondContact O-CE1 3.34Å; L196-Y208 PolarHBondContact O-N 3.35Å; C198-Y208 HydrophobicContact CB-CD2 3.7Å; C198-Y208 HydrophobicContact CB-CE2 3.53Å; C198-Y208 VanDerWaalsContact SG-CD2 3.52Å; T206-Y208 HydrophobicContact CG2-CE2 4.16Å; T206-Y208 WeakPolarHBondContact O-CD2 3.43Å; Y208-I223 WeakPolarHBondContact O-CB 2.87Å; Y208-I223 WeakPolarHBondContact O-CG2 2.97Å; Y208-I223 PolarHBondContact O-N 2.71Å
209	G	87.5	Confident	80.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-168.2	177.7	0	0	0	0	0	110.4	G195 L196 L207 V221	G195-G209 CarbonylContact C-O 3.58Å; G195-G209 WeakPolarHBondContact CA-O 3.14Å; L196-G209 PolarHBondContact N-O 3.18Å; L207-G209 WeakPolarHBondContact CD1-O 3.37Å; G209-V221 CarbonylContact C-O 3.58Å; G209-V221 WeakPolarHBondContact CA-O 3.36Å
210	F	88.7	Confident	80.4	Confident	3 Å²	3	44.7 Å²	44.7	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.5	175.4	61.5	-88.2	0	0	0	111.5	L71 P73 Y117 V119 Q194 V221 L226	L71-F210 HydrophobicContact CD1-CE1 4.3Å; L71-F210 HydrophobicContact CD2-CD1 4.07Å; L71-F210 HydrophobicContact CD2-CE1 4.07Å; L71-F210 HydrophobicContact CG-CD1 4.44Å; L71-F210 HydrophobicContact CG-CE1 4.3Å; P73-F210 HydrophobicContact CB-CE2 4.31Å; P73-F210 HydrophobicContact CG-CD2 3.86Å; P73-F210 HydrophobicContact CG-CE2 3.78Å; Y117-F210 HydrophobicContact CD1-CE2 4.24Å; Y117-F210 HydrophobicContact CD1-CZ 4.1Å; Y117-F210 AromaticContact CE1-CE2 3.74Å; Y117-F210 HydrophobicContact CE1-CE2 3.74Å; Y117-F210 HydrophobicContact CE1-CZ 4.04Å; V119-F210 HydrophobicContact CG1-CE1 4.21Å; V119-F210 HydrophobicContact CG1-CZ 3.54Å; Q194-F210 CarbonylContact O-C 3.58Å; Q194-F210 WeakPolarHBondContact O-CA 3.44Å; Q194-F210 VanDerWaalsContact O-CB 3.31Å; Q194-F210 WeakPolarHBondContact O-CB 3.38Å; F210-V221 HydrophobicContact CD1-CB 4.39Å; F210-V221 HydrophobicContact CD2-CB 4.31Å; F210-V221 HydrophobicContact CD2-CG2 4.48Å; F210-V221 HydrophobicContact CE1-CB 3.92Å; F210-V221 HydrophobicContact CE1-CG1 3.84Å; F210-V221 HydrophobicContact CE2-CB 3.82Å; F210-V221 HydrophobicContact CE2-CG1 4.24Å; F210-V221 HydrophobicContact CE2-CG2 3.87Å; F210-V221 HydrophobicContact CZ-CB 3.59Å; F210-V221 HydrophobicContact CZ-CG1 3.54Å; F210-V221 HydrophobicContact CZ-CG2 4.03Å; F210-V221 PolarHBondContact N-O 2.91Å; F210-V221 PolarHBondContact O-N 2.88Å; F210-L226 HydrophobicContact CE1-CD1 3.63Å; F210-L226 HydrophobicContact CZ-CD1 4.32Å
211	C	86.8	Confident	80.9	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.6	176.8	-64.8	0	0	0	0	111.8	C180 G193 Q194	C180-C211 WeakPolarHBondContact CA-SG 3.49Å; C180-C211 HydrophobicContact CB-CB 3.74Å; C180-C211 WeakPolarHBondContact CB-SG 3.46Å; C180-C211 WeakPolarHBondContact SG-CA 3.44Å; C180-C211 WeakPolarHBondContact SG-CB 3.21Å; C180-C211 CovalentContact SG-SG 2.05Å; C180-C211 PolarHBondContact SG-SG 3.3Å; G193-C211 VanDerWaalsContact CA-O 3.24Å; G193-C211 WeakPolarHBondContact CA-O 3.25Å; G193-C211 PolarHBondContact N-O 2.96Å; Q194-C211 PolarHBondContact O-N 3.19Å
212	G	84.4	Confident	81.6	Confident	1 Å²	1	42 Å²	42	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-175.3	177.6	0	0	0	0	0	112.3	Y117 L218 I219	Y117-G212 WeakPolarHBondContact OH-CA 3.23Å; G212-L218 WeakPolarHBondContact O-CA 3.27Å; G212-I219 PolarHBondContact N-O 2.82Å; G212-I219 PolarHBondContact O-N 3.34Å
213	K	79.4	Confident	82.3	Confident	77 Å²	77	38 Å²	38	34%	0.335	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.7	174.2	-78.1	-174.5	174.9	174.2	0	111.8	Q75 Y117 E192 E217 L218	Q75-K213 PolarHBondContact NE2-O 3.35Å; Y117-K213 WeakPolarHBondContact CE2-O 3.35Å; Y117-K213 PolarHBondContact OH-N 3.21Å; E192-K213 HydrophobicContact CG-CD 4.26Å; E192-K213 VanDerWaalsContact OE1-CD 3.29Å; E192-K213 WeakPolarHBondContact OE1-CD 3.47Å; E192-K213 WeakPolarHBondContact OE1-CE 3.49Å; E192-K213 IonicContact OE1-NZ 3.58Å; E192-K213 PolarHBondContact OE1-NZ 2.79Å; K213-E217 VanDerWaalsContact CA-O 3.31Å; K213-E217 WeakPolarHBondContact CA-O 3.43Å; K213-L218 HydrophobicContact CD-CD2 4.47Å; K213-L218 HydrophobicContact CG-CD2 3.77Å
214	K	75.9	Confident	82.9	Confident	154 Å²	154	41.3 Å²	41.3	67%	0.67	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124	101.5	169.3	-172.4	-179.8	178.9	-173.5	0	107.9	S216 E217 I219	K214-S216 PolarHBondContact O-N 3.09Å; K214-E217 PolarHBondContact N-O 3.04Å; K214-E217 PolarHBondContact O-N 3.44Å; K214-I219 HydrophobicContact CB-CD1 3.82Å; K214-I219 HydrophobicContact CB-CG1 4.33Å; K214-I219 HydrophobicContact CB-CG2 4.33Å
215	G	76.5	Confident	83.2	Confident	74 Å²	74	41.8 Å²	41.8	76%	0.763	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	-127.9	-166	0	0	0	0	0	110.7
216	S	73.8	Confident	83.2	Confident	127 Å²	127	41.3 Å²	41.3	89%	0.888	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.1	175.9	55.1	0	0	0	0	114.1	K214	K214-S216 PolarHBondContact O-N 3.09Å
217	E	77.2	Confident	83.2	Confident	81 Å²	81	41.6 Å²	41.6	38%	0.379	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.3	-172.1	-163.3	-172.2	158.1	0	0	112.2	R181 K213 K214 I219	R181-E217 IonicContact CZ-OE1 2.61Å; R181-E217 IonicContact NE-OE1 3.2Å; R181-E217 IonicContact NH2-OE1 2.68Å; R181-E217 PolarHBondContact NH2-OE1 3.09Å; K213-E217 VanDerWaalsContact CA-O 3.31Å; K213-E217 WeakPolarHBondContact CA-O 3.43Å; K214-E217 PolarHBondContact N-O 3.04Å; K214-E217 PolarHBondContact O-N 3.44Å; E217-I219 HydrophobicContact CG-CG2 4.34Å
218	L	79	Confident	83	Confident	29 Å²	29	49.8 Å²	49.8	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126	169.1	-72.2	170.6	0	0	0	109.8	C180 R181 T184 G212 K213	C180-L218 HydrophobicContact CB-CB 4.17Å; C180-L218 WeakPolarHBondContact O-CD1 3.39Å; R181-L218 HydrophobicContact CG-CB 4.46Å; T184-L218 HydrophobicContact CG2-CD1 3.65Å; G212-L218 WeakPolarHBondContact O-CA 3.27Å; K213-L218 HydrophobicContact CD-CD2 4.47Å; K213-L218 HydrophobicContact CG-CD2 3.77Å
219	I	81.7	Confident	82.9	Confident	34 Å²	34	49.3 Å²	49.3	17%	0.174	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.2	-178.5	60.6	163.7	0	0	0	111	Y117 G212 K214 E217 V221	Y117-I219 HydrophobicContact CD2-CD1 3.55Å; Y117-I219 HydrophobicContact CD2-CG1 4.41Å; Y117-I219 HydrophobicContact CE2-CD1 3.72Å; Y117-I219 HydrophobicContact CE2-CG1 4.13Å; G212-I219 PolarHBondContact N-O 2.82Å; G212-I219 PolarHBondContact O-N 3.34Å; K214-I219 HydrophobicContact CB-CD1 3.82Å; K214-I219 HydrophobicContact CB-CG1 4.33Å; K214-I219 HydrophobicContact CB-CG2 4.33Å; E217-I219 HydrophobicContact CG-CG2 4.34Å; I219-V221 HydrophobicContact CD1-CG2 4.34Å; I219-V221 HydrophobicContact CG1-CG2 4.41Å
220	H	84.9	Confident	82.9	Confident	29 Å²	29	49.5 Å²	49.5	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.3	166.3	178.7	80.6	0	0	0	110.2	E176	E176-H220 HydrophobicContact CB-CB 4.22Å; E176-H220 WeakPolarHBondContact O-CB 3.11Å; E176-H220 IonicContact OE1-CD2 3.8Å
221	V	85.8	Confident	82.7	Confident	12 Å²	12	50.2 Å²	50.2	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	107.2	175.2	-174.2	0	0	0	0	108	Y117 G209 F210 I219 L226	Y117-V221 HydrophobicContact CD1-CB 4.29Å; Y117-V221 HydrophobicContact CD1-CG1 3.86Å; Y117-V221 HydrophobicContact CD1-CG2 3.54Å; Y117-V221 HydrophobicContact CD2-CG2 3.72Å; Y117-V221 HydrophobicContact CE1-CG2 3.78Å; Y117-V221 HydrophobicContact CE2-CG2 3.89Å; Y117-V221 HydrophobicContact CG-CB 4.43Å; Y117-V221 HydrophobicContact CG-CG1 4.01Å; Y117-V221 HydrophobicContact CG-CG2 3.51Å; G209-V221 CarbonylContact C-O 3.58Å; G209-V221 WeakPolarHBondContact CA-O 3.36Å; F210-V221 HydrophobicContact CD1-CB 4.39Å; F210-V221 HydrophobicContact CD2-CB 4.31Å; F210-V221 HydrophobicContact CD2-CG2 4.48Å; F210-V221 HydrophobicContact CE1-CB 3.92Å; F210-V221 HydrophobicContact CE1-CG1 3.84Å; F210-V221 HydrophobicContact CE2-CB 3.82Å; F210-V221 HydrophobicContact CE2-CG1 4.24Å; F210-V221 HydrophobicContact CE2-CG2 3.87Å; F210-V221 HydrophobicContact CZ-CB 3.59Å; F210-V221 HydrophobicContact CZ-CG1 3.54Å; F210-V221 HydrophobicContact CZ-CG2 4.03Å; F210-V221 PolarHBondContact N-O 2.91Å; F210-V221 PolarHBondContact O-N 2.88Å; I219-V221 HydrophobicContact CD1-CG2 4.34Å; I219-V221 HydrophobicContact CG1-CG2 4.41Å; V221-L226 HydrophobicContact CG1-CD1 4.45Å
222	S	86	Confident	82.5	Confident	39 Å²	39	53.8 Å²	53.8	27%	0.273	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	140.9	177.4	172.9	0	0	0	0	111.3	E224 P225	S222-E224 VanDerWaalsContact C-N 3.35Å; S222-E224 PolarHBondContact OG-N 3.4Å; S222-P225 WeakPolarHBondContact O-CD 3.15Å
223	I	87.2	Confident	82.5	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	29%	0.291	C	S	.	.	S	Bend	trans	-75.4	-24.8	178.7	-159.8	59.2	0	0	0	112.6	L71 V135 L207 Y208 L226 I227 I230	L71-I223 HydrophobicContact CD2-CD1 3.44Å; L71-I223 VanDerWaalsContact CD2-CD1 3.44Å; V135-I223 HydrophobicContact CG1-CD1 4.49Å; V135-I223 HydrophobicContact CG1-CG1 3.55Å; V135-I223 HydrophobicContact CG1-CG2 4.39Å; V135-I223 HydrophobicContact CG2-CG1 4.34Å; L207-I223 HydrophobicContact CD2-CD1 3.64Å; L207-I223 HydrophobicContact CD2-CG1 4.11Å; L207-I223 HydrophobicContact CG-CD1 4.3Å; L207-I223 HydrophobicContact CG-CG1 4.35Å; L207-I223 WeakPolarHBondContact O-CG2 3.3Å; Y208-I223 WeakPolarHBondContact O-CB 2.87Å; Y208-I223 WeakPolarHBondContact O-CG2 2.97Å; Y208-I223 PolarHBondContact O-N 2.71Å; I223-L226 HydrophobicContact CD1-CB 4.24Å; I223-L226 HydrophobicContact CD1-CD1 4.18Å; I223-L226 WeakPolarHBondContact O-CA 3.11Å; I223-L226 VanDerWaalsContact O-CB 3.27Å; I223-L226 WeakPolarHBondContact O-CB 3.47Å; I223-L226 PolarHBondContact O-N 3.33Å; I223-I227 WeakPolarHBondContact O-CG1 3.45Å; I223-I227 PolarHBondContact O-N 2.72Å; I223-I230 HydrophobicContact CD1-CD1 4.28Å
224	E	84.3	Confident	82.7	Confident	94 Å²	94	50 Å²	50	44%	0.439	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56	-47.2	-169.5	-176.5	-164.4	175.9	0	0	112.8	V139 S222 L226 I227	V139-E224 VanDerWaalsContact CG2-CD 3.42Å; V139-E224 HydrophobicContact CG2-CG 4.34Å; V139-E224 VanDerWaalsContact CG2-OE2 3.32Å; V139-E224 WeakPolarHBondContact CG2-OE2 3.33Å; S222-E224 VanDerWaalsContact C-N 3.35Å; S222-E224 PolarHBondContact OG-N 3.4Å; E224-L226 PolarHBondContact O-N 3.16Å; E224-L226 VanDerWaalsContact O-N 3.13Å; E224-I227 WeakPolarHBondContact O-CG1 3.2Å; E224-I227 PolarHBondContact O-N 3.28Å
225	P	83.6	Confident	82.9	Confident	78 Å²	78	49.2 Å²	49.2	51%	0.506	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-65.9	-18.3	177.3	-18.9	34.2	0	0	0	113	T115 S222	T115-P225 HydrophobicContact CG2-CB 4.19Å; S222-P225 WeakPolarHBondContact O-CD 3.15Å
226	L	85.8	Confident	82.8	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-91.8	-14.6	-175.2	-49.3	-175.5	0	0	0	113	L71 T115 V119 F210 V221 I223 E224 K228 L229 I230	L71-L226 HydrophobicContact CD1-CD1 4.37Å; L71-L226 HydrophobicContact CD2-CD1 4.36Å; T115-L226 HydrophobicContact CG2-CD2 3.4Å; V119-L226 HydrophobicContact CG1-CD1 4.05Å; V119-L226 HydrophobicContact CG1-CD2 4.4Å; V119-L226 HydrophobicContact CG2-CD2 4.15Å; F210-L226 HydrophobicContact CE1-CD1 3.63Å; F210-L226 HydrophobicContact CZ-CD1 4.32Å; V221-L226 HydrophobicContact CG1-CD1 4.45Å; I223-L226 HydrophobicContact CD1-CB 4.24Å; I223-L226 HydrophobicContact CD1-CD1 4.18Å; I223-L226 WeakPolarHBondContact O-CA 3.11Å; I223-L226 VanDerWaalsContact O-CB 3.27Å; I223-L226 WeakPolarHBondContact O-CB 3.47Å; I223-L226 PolarHBondContact O-N 3.33Å; E224-L226 PolarHBondContact O-N 3.16Å; E224-L226 VanDerWaalsContact O-N 3.13Å; L226-K228 PolarHBondContact O-N 2.99Å; L226-L229 HydrophobicContact CD2-CD2 4.12Å; L226-L229 CarbonylContact O-C 3.57Å; L226-L229 WeakPolarHBondContact O-CA 3.5Å; L226-L229 VanDerWaalsContact O-CB 3.26Å; L226-L229 WeakPolarHBondContact O-CB 3.34Å; L226-L229 PolarHBondContact O-N 2.74Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.82Å
227	I	84.6	Confident	82.8	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-52.1	-173.9	-57.8	-178.4	0	0	0	111.6	V135 D136 R137 I223 E224 L229 I230	V135-I227 HydrophobicContact CG1-CD1 4.09Å; V135-I227 HydrophobicContact CG1-CG1 3.67Å; D136-I227 VanDerWaalsContact O-CD1 3.22Å; D136-I227 WeakPolarHBondContact O-CD1 3Å; R137-I227 HydrophobicContact CB-CD1 4.22Å; R137-I227 HydrophobicContact CG-CD1 3.81Å; I223-I227 WeakPolarHBondContact O-CG1 3.45Å; I223-I227 PolarHBondContact O-N 2.72Å; E224-I227 WeakPolarHBondContact O-CG1 3.2Å; E224-I227 PolarHBondContact O-N 3.28Å; I227-L229 PolarHBondContact O-N 2.74Å; I227-I230 PolarHBondContact O-N 2.78Å
228	K	83.9	Confident	82.4	Confident	173 Å²	173	40.5 Å²	40.5	75%	0.752	19%	0.193	S	C	*	.	H	α-helix	trans	-62.1	-32.1	175.8	-69.3	-179.3	-179	172.4	0	111.5	L226 Y232	L226-K228 PolarHBondContact O-N 2.99Å; K228-Y232 VanDerWaalsContact O-CB 3.26Å; K228-Y232 WeakPolarHBondContact O-CB 3.38Å; K228-Y232 PolarHBondContact O-N 3.18Å
229	L	84.5	Confident	81.2	Confident	13 Å²	13	42.1 Å²	42.1	7%	0.068	20%	0.202	C	C	.	.	H	α-helix	trans	-73.9	-35.4	-178.1	-172.8	64.2	0	0	0	112.4	Y110 S112 T115 V119 F121 L226 I227 Y232 A233	Y110-L229 HydrophobicContact CE1-CD1 3.87Å; Y110-L229 HydrophobicContact CE1-CG 4.45Å; S112-L229 VanDerWaalsContact OG-CD2 3.31Å; S112-L229 WeakPolarHBondContact OG-CD2 2.75Å; T115-L229 HydrophobicContact CG2-CD2 4.06Å; V119-L229 HydrophobicContact CG2-CD2 4.08Å; F121-L229 HydrophobicContact CE2-CD2 3.7Å; F121-L229 HydrophobicContact CE2-CG 3.69Å; F121-L229 HydrophobicContact CZ-CB 4.36Å; F121-L229 HydrophobicContact CZ-CD2 3.95Å; F121-L229 HydrophobicContact CZ-CG 3.91Å; L226-L229 HydrophobicContact CD2-CD2 4.12Å; L226-L229 CarbonylContact O-C 3.57Å; L226-L229 WeakPolarHBondContact O-CA 3.5Å; L226-L229 VanDerWaalsContact O-CB 3.26Å; L226-L229 WeakPolarHBondContact O-CB 3.34Å; L226-L229 PolarHBondContact O-N 2.74Å; I227-L229 PolarHBondContact O-N 2.74Å; L229-Y232 HydrophobicContact CD1-CD1 4.21Å; L229-Y232 PolarHBondContact O-N 2.91Å; L229-A233 VanDerWaalsContact O-CB 3.23Å; L229-A233 WeakPolarHBondContact O-CB 3.31Å; L229-A233 PolarHBondContact O-N 3.44Å
230	I	86.1	Confident	79.6	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-53.7	173.8	-68.2	160.2	0	0	0	109.5	V59 A61 L69 F121 V135 I223 L226 I227 Y232 A233 A234	V59-I230 HydrophobicContact CG2-CD1 4.29Å; V59-I230 HydrophobicContact CG2-CG1 4.34Å; V59-I230 HydrophobicContact CG2-CG2 3.89Å; A61-I230 HydrophobicContact CB-CG2 4.2Å; L69-I230 HydrophobicContact CD1-CG2 4.4Å; F121-I230 HydrophobicContact CD1-CG1 4.27Å; F121-I230 HydrophobicContact CE1-CB 4.21Å; F121-I230 HydrophobicContact CE1-CG1 3.43Å; F121-I230 VanDerWaalsContact CE1-CG1 3.43Å; F121-I230 HydrophobicContact CZ-CG1 4.1Å; V135-I230 HydrophobicContact CG1-CD1 4.09Å; V135-I230 HydrophobicContact CG2-CD1 4.14Å; I223-I230 HydrophobicContact CD1-CD1 4.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.82Å; I227-I230 PolarHBondContact O-N 2.78Å; I230-Y232 VanDerWaalsContact C-N 3.31Å; I230-Y232 PolarHBondContact O-N 2.89Å; I230-A233 PolarHBondContact O-N 3.03Å; I230-A234 PolarHBondContact O-N 3.4Å
231	T	84.4	Confident	77.9	Confident	18 Å²	18	50.6 Å²	50.6	11%	0.11	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-39	179.8	-59	0	0	0	0	111.8	E62 R235	E62-T231 HydrophobicContact CB-CG2 4.46Å; E62-T231 PolarHBondContact N-OG1 2.92Å; E62-T231 VanDerWaalsContact N-OG1 3.09Å; E62-T231 VanDerWaalsContact O-CG2 3.26Å; E62-T231 WeakPolarHBondContact O-CG2 3.48Å; T231-R235 WeakPolarHBondContact O-CG 3.25Å; T231-R235 PolarHBondContact O-N 2.88Å
232	Y	83.9	Confident	75.7	Confident	75 Å²	75	56.6 Å²	56.6	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-44.9	175.7	-176	-113.1	0	0	0	112.2	Y110 K228 L229 I230 A234 R235 E236 K273	Y110-Y232 WeakPolarHBondContact OH-CE1 3.33Å; K228-Y232 VanDerWaalsContact O-CB 3.26Å; K228-Y232 WeakPolarHBondContact O-CB 3.38Å; K228-Y232 PolarHBondContact O-N 3.18Å; L229-Y232 HydrophobicContact CD1-CD1 4.21Å; L229-Y232 PolarHBondContact O-N 2.91Å; I230-Y232 VanDerWaalsContact C-N 3.31Å; I230-Y232 PolarHBondContact O-N 2.89Å; Y232-A234 PolarHBondContact O-N 2.79Å; Y232-R235 PolarHBondContact O-N 3.23Å; Y232-E236 HydrophobicContact CD1-CG 4.11Å; Y232-E236 HydrophobicContact CD2-CG 4.1Å; Y232-E236 HydrophobicContact CE1-CG 3.83Å; Y232-E236 HydrophobicContact CE2-CG 3.75Å; Y232-E236 WeakPolarHBondContact CE2-OE1 3.47Å; Y232-E236 HydrophobicContact CG-CG 4.25Å; Y232-E236 VanDerWaalsContact CZ-CD 3.48Å; Y232-E236 WeakPolarHBondContact O-CB 3.47Å; Y232-E236 WeakPolarHBondContact O-CG 3.38Å; Y232-E236 PolarHBondContact O-N 2.74Å; Y232-E236 VanDerWaalsContact OH-CD 3.28Å; Y232-E236 PolarHBondContact OH-OE1 3.3Å; Y232-K273 VanDerWaalsContact OH-CE 3.29Å; Y232-K273 WeakPolarHBondContact OH-CE 3.41Å; Y232-K273 PolarHBondContact OH-NZ 2.98Å
233	A	84	Confident	73.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-44.2	178.7	0	0	0	0	0	111.5	L69 Y110 F121 L229 I230 E236 M237	L69-A233 HydrophobicContact CD1-CB 4.32Å; Y110-A233 HydrophobicContact CD1-CB 3.42Å; Y110-A233 VanDerWaalsContact CD1-CB 3.42Å; Y110-A233 HydrophobicContact CE1-CB 3.89Å; Y110-A233 HydrophobicContact CG-CB 3.99Å; F121-A233 HydrophobicContact CB-CB 4.02Å; F121-A233 HydrophobicContact CD1-CB 4.45Å; F121-A233 HydrophobicContact CD2-CB 3.91Å; F121-A233 HydrophobicContact CE2-CB 4.45Å; F121-A233 HydrophobicContact CG-CB 3.85Å; L229-A233 VanDerWaalsContact O-CB 3.23Å; L229-A233 WeakPolarHBondContact O-CB 3.31Å; L229-A233 PolarHBondContact O-N 3.44Å; I230-A233 PolarHBondContact O-N 3.03Å; A233-E236 PolarHBondContact O-N 2.83Å; A233-M237 VanDerWaalsContact C-CE 3.49Å; A233-M237 HydrophobicContact CB-CE 3.87Å; A233-M237 WeakPolarHBondContact O-CB 3.37Å; A233-M237 WeakPolarHBondContact O-CE 3.16Å; A233-M237 WeakPolarHBondContact O-CG 2.98Å; A233-M237 PolarHBondContact O-N 3.43Å
234	A	83.6	Confident	71.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-49.6	176.9	0	0	0	0	0	112.4	A61 D63 T67 L69 I230 Y232 M237 E238	A61-A234 HydrophobicContact CB-CB 3.33Å; D63-A234 WeakPolarHBondContact OD2-CB 3.4Å; T67-A234 HydrophobicContact CG2-CB 4.23Å; L69-A234 HydrophobicContact CD1-CB 3.88Å; L69-A234 HydrophobicContact CG-CB 4.49Å; I230-A234 PolarHBondContact O-N 3.4Å; Y232-A234 PolarHBondContact O-N 2.79Å; A234-M237 PolarHBondContact O-N 3.26Å; A234-E238 PolarHBondContact O-N 3.42Å
235	R	79.8	Confident	69.5	Low	136 Å²	136	66.9 Å²	66.9	51%	0.513	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-45	179.2	-68.6	177.1	-172.8	-174.4	3.6	111.9	D63 T231 Y232 M237 E238 L239	D63-R235 HydrophobicContact CB-CG 4.26Å; T231-R235 WeakPolarHBondContact O-CG 3.25Å; T231-R235 PolarHBondContact O-N 2.88Å; Y232-R235 PolarHBondContact O-N 3.23Å; R235-M237 VanDerWaalsContact C-N 3.34Å; R235-M237 PolarHBondContact O-N 3.46Å; R235-E238 WeakPolarHBondContact O-CB 3.26Å; R235-E238 PolarHBondContact O-N 2.86Å; R235-E238 VanDerWaalsContact O-N 3.09Å; R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 2.79Å
236	E	74.3	Confident	67.6	Low	33 Å²	33	67 Å²	67	15%	0.154	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-45.1	178.3	-68.8	-82.4	144.5	0	0	110.6	Y232 A233 E238 L239 Y240 K273 Y275	Y232-E236 HydrophobicContact CD1-CG 4.11Å; Y232-E236 HydrophobicContact CD2-CG 4.1Å; Y232-E236 HydrophobicContact CE1-CG 3.83Å; Y232-E236 HydrophobicContact CE2-CG 3.75Å; Y232-E236 WeakPolarHBondContact CE2-OE1 3.47Å; Y232-E236 HydrophobicContact CG-CG 4.25Å; Y232-E236 VanDerWaalsContact CZ-CD 3.48Å; Y232-E236 WeakPolarHBondContact O-CB 3.47Å; Y232-E236 WeakPolarHBondContact O-CG 3.38Å; Y232-E236 PolarHBondContact O-N 2.74Å; Y232-E236 VanDerWaalsContact OH-CD 3.28Å; Y232-E236 PolarHBondContact OH-OE1 3.3Å; A233-E236 PolarHBondContact O-N 2.83Å; E236-E238 PolarHBondContact O-N 3.31Å; E236-L239 PolarHBondContact O-N 3.07Å; E236-Y240 WeakPolarHBondContact O-CD2 3.37Å; E236-K273 IonicContact OE1-NZ 2.67Å; E236-K273 IonicContact OE2-NZ 2.68Å; E236-K273 PolarHBondContact OE2-NZ 3.01Å; E236-Y275 PolarHBondContact OE2-OH 3.41Å
237	M	75.3	Confident	65.9	Low	8 Å²	8	76.4 Å²	76.4	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-19.2	175.3	-73.6	-175.1	-84.1	0	0	114	L69 N108 F121 K123 A233 A234 R235	L69-M237 HydrophobicContact CD1-CE 3.82Å; L69-M237 HydrophobicContact CD2-CE 3.45Å; L69-M237 VanDerWaalsContact CD2-CE 3.45Å; L69-M237 HydrophobicContact CD2-SD 4.43Å; L69-M237 HydrophobicContact CG-CE 4.29Å; N108-M237 HydrophobicContact CB-CG 4.45Å; N108-M237 HydrophobicContact CB-SD 4.27Å; F121-M237 HydrophobicContact CB-CE 4Å; K123-M237 HydrophobicContact CB-SD 3.74Å; K123-M237 HydrophobicContact CD-CB 4.17Å; A233-M237 VanDerWaalsContact C-CE 3.49Å; A233-M237 HydrophobicContact CB-CE 3.87Å; A233-M237 WeakPolarHBondContact O-CB 3.37Å; A233-M237 WeakPolarHBondContact O-CE 3.16Å; A233-M237 WeakPolarHBondContact O-CG 2.98Å; A233-M237 PolarHBondContact O-N 3.43Å; A234-M237 PolarHBondContact O-N 3.26Å; R235-M237 VanDerWaalsContact C-N 3.34Å; R235-M237 PolarHBondContact O-N 3.46Å
238	E	67.5	Low	64.2	Low	58 Å²	58	87.4 Å²	87.4	27%	0.271	39%	0.388	S	S	.	.	H	α-helix	trans	-84.5	-35.3	171.2	-76.6	-167.4	160.3	0	0	113.5	N65 A234 R235 E236 Y240 K241	N65-E238 PolarHBondContact ND2-OE1 2.97Å; A234-E238 PolarHBondContact O-N 3.42Å; R235-E238 WeakPolarHBondContact O-CB 3.26Å; R235-E238 PolarHBondContact O-N 2.86Å; R235-E238 VanDerWaalsContact O-N 3.09Å; E236-E238 PolarHBondContact O-N 3.31Å; E238-Y240 PolarHBondContact O-N 2.99Å; E238-K241 WeakPolarHBondContact O-CB 3.43Å; E238-K241 PolarHBondContact O-N 3.15Å
239	L	54.9	Low	62.7	Low	64 Å²	64	88.2 Å²	88.2	34%	0.335	39%	0.386	S	S	.	.	H	α-helix	trans	-59.3	-29.8	177.8	-71.4	171.7	0	0	0	111.8	R235 E236 K241 K242 D243 F246	R235-L239 WeakPolarHBondContact O-CG 3.35Å; R235-L239 PolarHBondContact O-N 2.79Å; E236-L239 PolarHBondContact O-N 3.07Å; L239-K241 PolarHBondContact O-N 3.25Å; L239-K242 CarbonylContact O-C 3.56Å; L239-K242 PolarHBondContact O-N 3.28Å; L239-D243 PolarHBondContact O-N 2.84Å; L239-F246 HydrophobicContact CD2-CE2 4.19Å
240	Y	48.3	Very low	61.1	Low	82 Å²	82	97.9 Å²	97.9	32%	0.322	43%	0.428	S	S	.	.	H	α-helix	trans	-52.7	-26.3	168.7	-81.6	-78.9	0	0	0	115	E236 E238 Y275	E236-Y240 WeakPolarHBondContact O-CD2 3.37Å; E238-Y240 PolarHBondContact O-N 2.99Å; Y240-Y275 HydrophobicContact CE1-CD1 4.29Å; Y240-Y275 HydrophobicContact CE1-CG 4.28Å; Y240-Y275 AromaticContact CE2-CD1 3.48Å; Y240-Y275 HydrophobicContact CE2-CD1 3.48Å; Y240-Y275 VanDerWaalsContact CE2-CD1 3.48Å; Y240-Y275 AromaticContact CE2-CE1 3.3Å; Y240-Y275 HydrophobicContact CE2-CE1 3.3Å; Y240-Y275 HydrophobicContact CE2-CG 4.21Å; Y240-Y275 AromaticContact CE2-CZ 3.92Å; Y240-Y275 AromaticContact CZ-CD1 3.3Å; Y240-Y275 AromaticContact CZ-CD2 3.98Å; Y240-Y275 AromaticContact CZ-CE1 3.45Å; Y240-Y275 VanDerWaalsContact CZ-CE1 3.45Å; Y240-Y275 AromaticContact CZ-CG 3.54Å; Y240-Y275 AromaticContact CZ-CZ 3.83Å; Y240-Y275 WeakPolarHBondContact OH-CD1 3.27Å; Y240-Y275 WeakPolarHBondContact OH-CD2 3.44Å; Y240-Y275 WeakPolarHBondContact OH-CE1 3.32Å; Y240-Y275 WeakPolarHBondContact OH-CE2 3.49Å
241	K	47.3	Very low	59.3	Low	158 Å²	158	99.1 Å²	99.1	69%	0.687	44%	0.436	S	S	*	.	H	α-helix	trans	-84.2	-21.5	173.5	-82.1	-168.9	169.7	-168.9	0	113.6	E238 L239	E238-K241 WeakPolarHBondContact O-CB 3.43Å; E238-K241 PolarHBondContact O-N 3.15Å; L239-K241 PolarHBondContact O-N 3.25Å
242	K	40.1	Very low	57.4	Low	138 Å²	138	101.2 Å²	101.2	60%	0.6	46%	0.455	S	S	*	.	H	α-helix	trans	-105.9	-7.1	-172.5	-75.3	-174.4	176	177.9	0	113.9	L239 E244 V245	L239-K242 CarbonylContact O-C 3.56Å; L239-K242 PolarHBondContact O-N 3.28Å; K242-E244 PolarHBondContact O-N 2.99Å; K242-E244 VanDerWaalsContact O-N 3.1Å; K242-V245 VanDerWaalsContact O-CB 3.22Å; K242-V245 WeakPolarHBondContact O-CB 3.48Å; K242-V245 WeakPolarHBondContact O-CG2 3.41Å; K242-V245 PolarHBondContact O-N 3.3Å
243	D	42.6	Very low	55.6	Low	55 Å²	55	102.6 Å²	102.6	29%	0.294	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	7.6	-175.5	-78.6	-29.2	0	0	0	115.7	L239 V245 F246	L239-D243 PolarHBondContact O-N 2.84Å; D243-V245 PolarHBondContact O-N 3.23Å; D243-F246 WeakPolarHBondContact OD1-CB 3.27Å; D243-F246 WeakPolarHBondContact OD1-CD2 3.43Å; D243-F246 WeakPolarHBondContact OD1-CG 3.36Å
244	E	44.3	Very low	53.6	Low	182 Å²	182	109.4 Å²	109.4	85%	0.85	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20	152.7	-73.7	-168.9	156.5	0	0	112.3	K242	K242-E244 PolarHBondContact O-N 2.99Å; K242-E244 VanDerWaalsContact O-N 3.1Å
245	V	40.9	Very low	51.8	Low	117 Å²	117	114.6 Å²	114.6	71%	0.709	51%	0.512	S	S	*	.	S	Bend	trans	-95.3	-18.4	-174.2	-175.1	0	0	0	0	113.3	K242 D243 K247	K242-V245 VanDerWaalsContact O-CB 3.22Å; K242-V245 WeakPolarHBondContact O-CB 3.48Å; K242-V245 WeakPolarHBondContact O-CG2 3.41Å; K242-V245 PolarHBondContact O-N 3.3Å; D243-V245 PolarHBondContact O-N 3.23Å; V245-K247 PolarHBondContact O-N 2.97Å
246	F	44.6	Very low	50	Low	79 Å²	79	109.8 Å²	109.8	35%	0.346	50%	0.5	S	S	.	.			trans	-93.7	22	-170	-81	-81	0	0	0	116.5	L239 D243 R248 R249	L239-F246 HydrophobicContact CD2-CE2 4.19Å; D243-F246 WeakPolarHBondContact OD1-CB 3.27Å; D243-F246 WeakPolarHBondContact OD1-CD2 3.43Å; D243-F246 WeakPolarHBondContact OD1-CG 3.36Å; F246-R248 PolarHBondContact O-N 3.37Å; F246-R249 PolarHBondContact O-N 3.33Å
247	K	48.3	Very low	48.8	Very low	200 Å²	200	114.8 Å²	114.8	87%	0.87	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	2.5	173.4	-74.3	-176.4	177.2	176.7	0	116.1	V245	V245-K247 PolarHBondContact O-N 2.97Å
248	R	50.1	Low	47.4	Very low	242 Å²	242	118 Å²	118	91%	0.913	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-2	-172.6	-68.5	-172.3	177.3	-175.1	-0.1	117	F246	F246-R248 PolarHBondContact O-N 3.37Å
249	R	52.8	Low	46.6	Very low	190 Å²	190	116.9 Å²	116.9	72%	0.717	53%	0.534	S	S	*	.	S	Bend	trans	-109.6	145.3	172.8	-72.1	-175.6	177.6	-178.7	-0.7	110.1	F246 T251	F246-R249 PolarHBondContact O-N 3.33Å; R249-T251 PolarHBondContact O-N 3.47Å
250	K	49.7	Very low	46.2	Very low	217 Å²	217	117.1 Å²	117.1	94%	0.943	55%	0.552	S	S	*	*			trans	-64.7	69.5	175.6	-76.9	-174.4	178	180	0	110.7
251	T	48.8	Very low	46.2	Very low	30 Å²	30	115 Å²	115	18%	0.184	55%	0.545	C	S	.	.			trans	-100.6	115.8	172.3	-51.1	0	0	0	0	106.2	R249 Y253 V266	R249-T251 PolarHBondContact O-N 3.47Å; T251-Y253 HydrophobicContact CG2-CD2 4.41Å; T251-Y253 HydrophobicContact CG2-CE1 4.07Å; T251-Y253 HydrophobicContact CG2-CE2 3.82Å; T251-Y253 WeakPolarHBondContact O-CD2 3.32Å; T251-V266 HydrophobicContact CG2-CG1 3.54Å
252	A	44.4	Very low	46.4	Very low	62 Å²	62	108.8 Å²	108.8	51%	0.512	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116	173.5	0	0	0	0	0	108	T267	A252-T267 PolarHBondContact N-O 2.87Å; A252-T267 PolarHBondContact O-N 3.38Å; A252-T267 VanDerWaalsContact O-N 3.08Å
253	Y	45.4	Very low	47.1	Very low	103 Å²	103	102.5 Å²	102.5	40%	0.404	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	117.3	168.9	-60.1	-86.6	0	0	0	107.2	T251 V266	T251-Y253 HydrophobicContact CG2-CD2 4.41Å; T251-Y253 HydrophobicContact CG2-CE1 4.07Å; T251-Y253 HydrophobicContact CG2-CE2 3.82Å; T251-Y253 WeakPolarHBondContact O-CD2 3.32Å; Y253-V266 HydrophobicContact CD1-CG2 4.13Å; Y253-V266 HydrophobicContact CE1-CG1 4.4Å; Y253-V266 HydrophobicContact CE1-CG2 4.16Å
254	K	43.4	Very low	47.7	Very low	143 Å²	143	102.9 Å²	102.9	62%	0.622	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	104.6	165.3	-163.7	178.6	179.5	179.4	0	107.6	S256 A265	K254-S256 PolarHBondContact O-N 3.04Å; K254-A265 HydrophobicContact CB-CB 4.34Å; K254-A265 PolarHBondContact N-O 3.39Å; K254-A265 PolarHBondContact O-N 3.46Å
255	K	45.5	Very low	48.1	Very low	109 Å²	109	95 Å²	95	47%	0.474	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.3	160.3	178.1	171.7	170.3	150.3	0	106.7	E262 W264	K255-E262 WeakPolarHBondContact CD-OE1 3.17Å; K255-E262 WeakPolarHBondContact CE-OE1 3.43Å; K255-E262 HydrophobicContact CG-CG 4.22Å; K255-E262 IonicContact NZ-OE1 2.63Å; K255-E262 PolarHBondContact NZ-OE1 2.89Å; K255-W264 HydrophobicContact CB-CE3 4.24Å; K255-W264 HydrophobicContact CB-CH2 3.93Å; K255-W264 HydrophobicContact CB-CZ2 4.33Å; K255-W264 HydrophobicContact CB-CZ3 3.87Å; K255-W264 HydrophobicContact CD-CH2 4.1Å; K255-W264 HydrophobicContact CD-CZ2 4.1Å; K255-W264 HydrophobicContact CG-CH2 4.3Å; K255-W264 HydrophobicContact CG-CZ2 4.27Å
256	S	42.8	Very low	48.5	Very low	35 Å²	35	90.6 Å²	90.6	25%	0.245	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.6	171.2	-58.9	0	0	0	0	107.9	K254 V263	K254-S256 PolarHBondContact O-N 3.04Å; S256-V263 PolarHBondContact N-O 3.2Å; S256-V263 WeakPolarHBondContact O-CG2 3.37Å; S256-V263 PolarHBondContact O-N 3.35Å
257	F	48.2	Very low	48.7	Very low	138 Å²	138	88.9 Å²	88.9	61%	0.605	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	116	165.6	-70.5	-89.5	0	0	0	106.4	Q261 E262	F257-Q261 WeakPolarHBondContact CA-O 2.7Å; F257-E262 HydrophobicContact CE1-CB 4.24Å
258	L	44.9	Very low	48.8	Very low	76 Å²	76	84.8 Å²	84.8	40%	0.398	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.9	166.4	-152.7	89.2	0	0	0	104.9	G260 Q261 V263	L258-G260 PolarHBondContact O-N 3.44Å; L258-Q261 PolarHBondContact N-O 3.45Å; L258-Q261 PolarHBondContact O-N 3.01Å; L258-Q261 VanDerWaalsContact O-N 3.1Å; L258-V263 HydrophobicContact CB-CB 4.32Å; L258-V263 HydrophobicContact CB-CG1 3.62Å; L258-V263 HydrophobicContact CB-CG2 3.71Å
259	N	50.8	Low	49.4	Very low	34 Å²	34	76.5 Å²	76.5	18%	0.182	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	42.9	175.7	-70.9	-40.9	0	0	0	116.6	R84 E86 R88 Q261	R84-N259 PolarHBondContact NH1-OD1 2.81Å; E86-N259 PolarHBondContact OE2-ND2 2.63Å; E86-N259 PolarHBondContact OE2-OD1 3.42Å; R88-N259 HydrophobicContact CG-CB 4.48Å; R88-N259 VanDerWaalsContact CZ-CB 3.45Å; R88-N259 PolarHBondContact NE-ND2 3Å; R88-N259 PolarHBondContact NH2-OD1 2.77Å; N259-Q261 PolarHBondContact O-N 2.98Å; N259-Q261 VanDerWaalsContact O-N 3.14Å
260	G	47.2	Very low	49.5	Very low	70 Å²	70	79.6 Å²	79.6	72%	0.722	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-2.3	-179.2	0	0	0	0	0	113.9	L258	L258-G260 PolarHBondContact O-N 3.44Å
261	Q	49.2	Very low	49.2	Very low	38 Å²	38	77.7 Å²	77.7	18%	0.178	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.2	171.8	-66.5	176.7	0.1	0	0	109.8	I91 F257 L258 N259 V263	I91-Q261 VanDerWaalsContact CD1-NE2 3.32Å; F257-Q261 WeakPolarHBondContact CA-O 2.7Å; L258-Q261 PolarHBondContact N-O 3.45Å; L258-Q261 PolarHBondContact O-N 3.01Å; L258-Q261 VanDerWaalsContact O-N 3.1Å; N259-Q261 PolarHBondContact O-N 2.98Å; N259-Q261 VanDerWaalsContact O-N 3.14Å; Q261-V263 PolarHBondContact O-N 2.76Å; Q261-V263 VanDerWaalsContact O-N 3.12Å
262	E	50.1	Low	49	Very low	27 Å²	27	80.3 Å²	80.3	13%	0.126	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	111.5	173.1	-167.9	-177.5	-144.7	0	0	108.6	K255 F257 W264 R277	K255-E262 WeakPolarHBondContact CD-OE1 3.17Å; K255-E262 WeakPolarHBondContact CE-OE1 3.43Å; K255-E262 HydrophobicContact CG-CG 4.22Å; K255-E262 IonicContact NZ-OE1 2.63Å; K255-E262 PolarHBondContact NZ-OE1 2.89Å; F257-E262 HydrophobicContact CE1-CB 4.24Å; E262-W264 HydrophobicContact CG-CZ2 4.49Å; E262-W264 WeakPolarHBondContact OE1-CZ2 3.43Å; E262-W264 PolarHBondContact OE2-NE1 3.12Å; E262-R277 PolarHBondContact O-N 3.22Å; E262-R277 WeakPolarHBondContact OE2-CD 3.48Å; E262-R277 IonicContact OE2-NH1 3.71Å
263	V	55.7	Low	49.4	Very low	5 Å²	5	79 Å²	79	3%	0.03	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.3	170.1	-59.9	0	0	0	0	109.8	S256 L258 Q261 V274 Y275 Y276	S256-V263 PolarHBondContact N-O 3.2Å; S256-V263 WeakPolarHBondContact O-CG2 3.37Å; S256-V263 PolarHBondContact O-N 3.35Å; L258-V263 HydrophobicContact CB-CB 4.32Å; L258-V263 HydrophobicContact CB-CG1 3.62Å; L258-V263 HydrophobicContact CB-CG2 3.71Å; Q261-V263 PolarHBondContact O-N 2.76Å; Q261-V263 VanDerWaalsContact O-N 3.12Å; V263-V274 HydrophobicContact CB-CG1 3.93Å; V263-V274 HydrophobicContact CG1-CG1 4.21Å; V263-V274 HydrophobicContact CG2-CG1 4.4Å; V263-Y275 CarbonylContact C-O 3.49Å; V263-Y275 VanDerWaalsContact CA-O 3.29Å; V263-Y275 WeakPolarHBondContact CA-O 3.48Å; V263-Y276 HydrophobicContact CG1-CD1 3.6Å; V263-Y276 HydrophobicContact CG1-CE1 3.68Å; V263-Y276 HydrophobicContact CG1-CG 4.29Å
264	W	54.4	Low	49.5	Very low	64 Å²	64	77.8 Å²	77.8	24%	0.242	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.8	173.7	-67.4	84.4	0	0	0	107.6	K255 E262 Y275	K255-W264 HydrophobicContact CB-CE3 4.24Å; K255-W264 HydrophobicContact CB-CH2 3.93Å; K255-W264 HydrophobicContact CB-CZ2 4.33Å; K255-W264 HydrophobicContact CB-CZ3 3.87Å; K255-W264 HydrophobicContact CD-CH2 4.1Å; K255-W264 HydrophobicContact CD-CZ2 4.1Å; K255-W264 HydrophobicContact CG-CH2 4.3Å; K255-W264 HydrophobicContact CG-CZ2 4.27Å; E262-W264 HydrophobicContact CG-CZ2 4.49Å; E262-W264 WeakPolarHBondContact OE1-CZ2 3.43Å; E262-W264 PolarHBondContact OE2-NE1 3.12Å; W264-Y275 PolarHBondContact N-O 3.36Å; W264-Y275 WeakPolarHBondContact O-CD2 3.43Å; W264-Y275 PolarHBondContact O-N 3.22Å
265	A	53.8	Low	50	Low	17 Å²	17	71.8 Å²	71.8	14%	0.14	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	111.3	165.8	0	0	0	0	0	107.8	K254 T272 K273	K254-A265 HydrophobicContact CB-CB 4.34Å; K254-A265 PolarHBondContact N-O 3.39Å; K254-A265 PolarHBondContact O-N 3.46Å; A265-T272 HydrophobicContact CB-CG2 4.02Å; A265-K273 CarbonylContact C-O 3.53Å; A265-K273 VanDerWaalsContact CA-O 3.32Å; A265-K273 WeakPolarHBondContact CA-O 3.29Å
266	V	49.3	Very low	50.3	Low	23 Å²	23	68.6 Å²	68.6	14%	0.139	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.6	171.5	-174.6	0	0	0	0	107.4	T251 Y253 T272 K273 Y275	T251-V266 HydrophobicContact CG2-CG1 3.54Å; Y253-V266 HydrophobicContact CD1-CG2 4.13Å; Y253-V266 HydrophobicContact CE1-CG1 4.4Å; Y253-V266 HydrophobicContact CE1-CG2 4.16Å; V266-T272 WeakPolarHBondContact O-CA 3.47Å; V266-K273 PolarHBondContact N-O 3.43Å; V266-K273 PolarHBondContact O-N 3.06Å; V266-Y275 HydrophobicContact CB-CD2 4.34Å; V266-Y275 HydrophobicContact CB-CE2 3.86Å; V266-Y275 HydrophobicContact CG2-CD2 3.78Å; V266-Y275 HydrophobicContact CG2-CE2 3.66Å
267	T	48.5	Very low	50.4	Low	43 Å²	43	73.2 Å²	73.2	26%	0.264	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.8	174.6	-57.3	0	0	0	0	109.7	A252 G269 R271 T272	A252-T267 PolarHBondContact N-O 2.87Å; A252-T267 PolarHBondContact O-N 3.38Å; A252-T267 VanDerWaalsContact O-N 3.08Å; T267-G269 WeakPolarHBondContact CG2-O 3.5Å; T267-R271 WeakPolarHBondContact CA-O 3.35Å; T267-T272 PolarHBondContact OG1-OG1 3.04Å
268	L	49.8	Very low	50.1	Low	115 Å²	115	70.5 Å²	70.5	60%	0.602	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	98.5	174	-167.7	79.1	0	0	0	108.5	R270 R271	L268-R270 PolarHBondContact O-N 3.38Å; L268-R271 PolarHBondContact N-O 3.02Å; L268-R271 PolarHBondContact O-N 3.41Å
269	G	63.4	Low	49.6	Very low	67 Å²	67	70.6 Å²	70.6	69%	0.691	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-122.4	-172.2	0	0	0	0	0	111.7	T267	T267-G269 WeakPolarHBondContact CG2-O 3.5Å
270	R	53.6	Low	48.8	Very low	256 Å²	256	75.1 Å²	75.1	97%	0.966	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	2.3	178	-64.9	-174.7	-178.8	174.3	0.4	114.4	L268	L268-R270 PolarHBondContact O-N 3.38Å
271	R	44.8	Very low	47.9	Very low	176 Å²	176	82.8 Å²	82.8	66%	0.664	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.9	-176.7	-67.1	179.6	177.6	175.9	1	109.7	T267 L268	T267-R271 WeakPolarHBondContact CA-O 3.35Å; L268-R271 PolarHBondContact N-O 3.02Å; L268-R271 PolarHBondContact O-N 3.41Å
272	T	44.9	Very low	47.8	Very low	86 Å²	86	85 Å²	85	53%	0.528	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.7	169.7	-57.1	0	0	0	0	109.3	A265 V266 T267	A265-T272 HydrophobicContact CB-CG2 4.02Å; V266-T272 WeakPolarHBondContact O-CA 3.47Å; T267-T272 PolarHBondContact OG1-OG1 3.04Å
273	K	51.3	Low	47.7	Very low	35 Å²	35	88.1 Å²	88.1	15%	0.152	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.7	171.9	-73.1	-176.5	177.3	-173.9	0	109.7	Y110 Y232 E236 A265 V266 Y275	Y110-K273 HydrophobicContact CE2-CD 4.48Å; Y232-K273 VanDerWaalsContact OH-CE 3.29Å; Y232-K273 WeakPolarHBondContact OH-CE 3.41Å; Y232-K273 PolarHBondContact OH-NZ 2.98Å; E236-K273 IonicContact OE1-NZ 2.67Å; E236-K273 IonicContact OE2-NZ 2.68Å; E236-K273 PolarHBondContact OE2-NZ 3.01Å; A265-K273 CarbonylContact C-O 3.53Å; A265-K273 VanDerWaalsContact CA-O 3.32Å; A265-K273 WeakPolarHBondContact CA-O 3.29Å; V266-K273 PolarHBondContact N-O 3.43Å; V266-K273 PolarHBondContact O-N 3.06Å; K273-Y275 HydrophobicContact CB-CD2 4.2Å; K273-Y275 HydrophobicContact CB-CE2 3.39Å; K273-Y275 HydrophobicContact CD-CE2 4.16Å; K273-Y275 WeakPolarHBondContact CD-OH 3.47Å; K273-Y275 PolarHBondContact NZ-OH 3.47Å; K273-Y275 WeakPolarHBondContact O-CD2 3.48Å
274	V	48.2	Very low	47.2	Very low	76 Å²	76	92.7 Å²	92.7	46%	0.461	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.9	180	-175.6	0	0	0	0	108.5	V263 Y276	V263-V274 HydrophobicContact CB-CG1 3.93Å; V263-V274 HydrophobicContact CG1-CG1 4.21Å; V263-V274 HydrophobicContact CG2-CG1 4.4Å; V274-Y276 HydrophobicContact CG1-CE2 4.34Å
275	Y	54	Low	46.8	Very low	18 Å²	18	94.4 Å²	94.4	7%	0.071	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.3	177.5	-58.7	-95.7	0	0	0	108.6	Y110 E236 Y240 V263 W264 V266 K273	Y110-Y275 HydrophobicContact CD2-CE1 4.4Å; E236-Y275 PolarHBondContact OE2-OH 3.41Å; Y240-Y275 HydrophobicContact CE1-CD1 4.29Å; Y240-Y275 HydrophobicContact CE1-CG 4.28Å; Y240-Y275 AromaticContact CE2-CD1 3.48Å; Y240-Y275 HydrophobicContact CE2-CD1 3.48Å; Y240-Y275 VanDerWaalsContact CE2-CD1 3.48Å; Y240-Y275 AromaticContact CE2-CE1 3.3Å; Y240-Y275 HydrophobicContact CE2-CE1 3.3Å; Y240-Y275 HydrophobicContact CE2-CG 4.21Å; Y240-Y275 AromaticContact CE2-CZ 3.92Å; Y240-Y275 AromaticContact CZ-CD1 3.3Å; Y240-Y275 AromaticContact CZ-CD2 3.98Å; Y240-Y275 AromaticContact CZ-CE1 3.45Å; Y240-Y275 VanDerWaalsContact CZ-CE1 3.45Å; Y240-Y275 AromaticContact CZ-CG 3.54Å; Y240-Y275 AromaticContact CZ-CZ 3.83Å; Y240-Y275 WeakPolarHBondContact OH-CD1 3.27Å; Y240-Y275 WeakPolarHBondContact OH-CD2 3.44Å; Y240-Y275 WeakPolarHBondContact OH-CE1 3.32Å; Y240-Y275 WeakPolarHBondContact OH-CE2 3.49Å; V263-Y275 CarbonylContact C-O 3.49Å; V263-Y275 VanDerWaalsContact CA-O 3.29Å; V263-Y275 WeakPolarHBondContact CA-O 3.48Å; W264-Y275 PolarHBondContact N-O 3.36Å; W264-Y275 WeakPolarHBondContact O-CD2 3.43Å; W264-Y275 PolarHBondContact O-N 3.22Å; V266-Y275 HydrophobicContact CB-CD2 4.34Å; V266-Y275 HydrophobicContact CB-CE2 3.86Å; V266-Y275 HydrophobicContact CG2-CD2 3.78Å; V266-Y275 HydrophobicContact CG2-CE2 3.66Å; K273-Y275 HydrophobicContact CB-CD2 4.2Å; K273-Y275 HydrophobicContact CB-CE2 3.39Å; K273-Y275 HydrophobicContact CD-CE2 4.16Å; K273-Y275 WeakPolarHBondContact CD-OH 3.47Å; K273-Y275 PolarHBondContact NZ-OH 3.47Å; K273-Y275 WeakPolarHBondContact O-CD2 3.48Å
276	Y	51.6	Low	46.4	Very low	41 Å²	41	99.2 Å²	99.2	16%	0.161	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.6	178.4	-63.3	-97.5	0	0	0	107.7	L89 V263 V274	L89-Y276 HydrophobicContact CB-CD1 4.41Å; L89-Y276 HydrophobicContact CB-CD2 3.99Å; L89-Y276 HydrophobicContact CB-CE1 4.01Å; L89-Y276 HydrophobicContact CB-CE2 3.55Å; L89-Y276 HydrophobicContact CB-CG 4.4Å; L89-Y276 HydrophobicContact CD2-CD2 3.36Å; L89-Y276 HydrophobicContact CD2-CE2 3.47Å; L89-Y276 VanDerWaalsContact CD2-CE2 3.47Å; L89-Y276 HydrophobicContact CD2-CG 4.17Å; L89-Y276 HydrophobicContact CG-CD2 4.28Å; L89-Y276 HydrophobicContact CG-CE2 4.16Å; V263-Y276 HydrophobicContact CG1-CD1 3.6Å; V263-Y276 HydrophobicContact CG1-CE1 3.68Å; V263-Y276 HydrophobicContact CG1-CG 4.29Å; V274-Y276 HydrophobicContact CG1-CE2 4.34Å
277	R	45.7	Very low	46.2	Very low	132 Å²	132	104.3 Å²	104.3	50%	0.498	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-101.1	129.7	170	-169.9	177.6	179.7	-162.5	5.7	108	E262	E262-R277 PolarHBondContact O-N 3.22Å; E262-R277 WeakPolarHBondContact OE2-CD 3.48Å; E262-R277 IonicContact OE2-NH1 3.71Å
278	E	41.6	Very low	46	Very low	81 Å²	81	108.6 Å²	108.6	38%	0.379	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-62.6	136.6	172	-165	176.7	177.6	0	0	110.1	I91 S93 V280	I91-E278 HydrophobicContact CG2-CB 4.38Å; I91-E278 HydrophobicContact CG2-CG 3.78Å; S93-E278 WeakPolarHBondContact CB-OE1 3.49Å; S93-E278 VanDerWaalsContact OG-CD 3.29Å; S93-E278 PolarHBondContact OG-OE1 3.5Å; E278-V280 PolarHBondContact O-N 3.44Å
279	P	33.7	Very low	45.7	Very low	78 Å²	78	108.2 Å²	108.2	51%	0.506	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-63.1	120.3	167	25.3	-29.9	0	0	0	108.5	L281	P279-L281 PolarHBondContact O-N 3.46Å; P279-L281 VanDerWaalsContact O-N 3.11Å
280	V	33.8	Very low	44.2	Very low	129 Å²	129	111.6 Å²	111.6	78%	0.782	53%	0.531	S	S	*	.			trans	-68.7	105.2	164	-176.5	0	0	0	0	105.5	E278	E278-V280 PolarHBondContact O-N 3.44Å
281	L	28	Very low	43.4	Very low	231 Å²	231	98.5 Å²	98.5	100%	1.209	49%	0.492	S	S	*	.			trans	-70.2	0	159.4	-75	172	0	0	0	108.9	P279	P279-L281 PolarHBondContact O-N 3.46Å; P279-L281 VanDerWaalsContact O-N 3.11Å

Retrieved 281 of 281 residues in 165 ms (Link to these results)

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