A0A077Z2E7_TRITR Loading...

Carboxyl-PDZ ligand of neuronal nitric oxide synt hase protein

AlphaFold DB , UniProt , Accession A0A077Z2E7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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	42.2	Very low	42	Very low	230 Å²	230	159 Å²	159	100%	1.133	83%	0.834	S	S	*	*				0	124.3	0	-62.9	-64.8	170.3	0	0	106.5
2	P	49.1	Very low	42.1	Very low	124 Å²	124	155.2 Å²	155.2	81%	0.805	82%	0.822	S	S	*	*			cis	-120.8	156.1	30	36.7	-21.8	0	0	0	115.2
3	T	38.9	Very low	42.1	Very low	119 Å²	119	157.3 Å²	157.3	73%	0.73	82%	0.824	S	S	*	*			trans	-91	112.7	174.9	34.4	0	0	0	0	110.3
4	K	49.2	Very low	42.4	Very low	203 Å²	203	153.3 Å²	153.3	88%	0.883	80%	0.804	S	S	*	*			trans	-91.6	120.8	168	-80.3	-170.6	176.4	-178.8	0	109.3	G6	K4-G6 PolarHBondContact O-N 2.73Å
5	H	47.4	Very low	43.2	Very low	171 Å²	171	149.1 Å²	149.1	79%	0.792	79%	0.789	S	S	*	*			trans	-61.8	124.3	-176.1	-72.3	49.4	0	0	0	110.1	Q7	H5-Q7 PolarHBondContact O-N 3Å; H5-Q7 VanDerWaalsContact O-N 3.16Å
6	G	40.1	Very low	43.8	Very low	67 Å²	67	149.5 Å²	149.5	69%	0.691	78%	0.778	S	S	*	*			trans	-63.2	110.8	167.4	0	0	0	0	0	108.8	K4 Y8	K4-G6 PolarHBondContact O-N 2.73Å; G6-Y8 PolarHBondContact O-N 3.03Å; G6-Y8 VanDerWaalsContact O-N 3.14Å
7	Q	40.3	Very low	44.1	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.864	76%	0.755	S	S	*	*			trans	-64.7	106.3	168.2	-156.1	168.1	1.6	0	0	105.9	H5 D9	H5-Q7 PolarHBondContact O-N 3Å; H5-Q7 VanDerWaalsContact O-N 3.16Å; Q7-D9 PolarHBondContact O-N 2.97Å
8	Y	35	Very low	44.6	Very low	233 Å²	233	142.9 Å²	142.9	91%	0.914	75%	0.753	S	S	*	*			trans	-62.5	111.8	172.8	-97.5	-94.1	0	0	0	107.5	G6	G6-Y8 PolarHBondContact O-N 3.03Å; G6-Y8 VanDerWaalsContact O-N 3.14Å
9	D	42	Very low	44.9	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	75%	0.75	S	S	*	*			trans	-52.9	138.3	175.9	-96.7	-38.5	0	0	0	111.2	Q7 I11	Q7-D9 PolarHBondContact O-N 2.97Å; D9-I11 PolarHBondContact O-N 2.98Å
10	S	34.4	Very low	45.2	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	74%	0.737	S	S	*	*			trans	-36.3	111.4	171	-165.7	0	0	0	0	112.8	T12	S10-T12 VanDerWaalsContact C-N 3.26Å; S10-T12 PolarHBondContact O-N 3.45Å
11	I	43.2	Very low	45.9	Very low	166 Å²	166	136.6 Å²	136.6	85%	0.851	73%	0.731	S	S	*	*			trans	-70	97	162	-57	175.9	0	0	0	105.6	D9 E13	D9-I11 PolarHBondContact O-N 2.98Å; I11-E13 PolarHBondContact O-N 3.37Å
12	T	43.4	Very low	47	Very low	113 Å²	113	128.5 Å²	128.5	69%	0.693	69%	0.692	S	S	*	*			trans	-51.7	124.5	172.7	-55.3	0	0	0	0	108	S10 D14	S10-T12 VanDerWaalsContact C-N 3.26Å; S10-T12 PolarHBondContact O-N 3.45Å; T12-D14 PolarHBondContact O-N 3.2Å
13	E	42.8	Very low	48	Very low	183 Å²	183	125 Å²	125	86%	0.855	66%	0.664	S	S	*	*			trans	-53.8	110.7	170.4	-67.2	-160.2	154.3	0	0	108.2	I11 P15	I11-E13 PolarHBondContact O-N 3.37Å; E13-P15 WeakPolarHBondContact O-CD 3.17Å
14	D	46.2	Very low	49.5	Very low	101 Å²	101	124.2 Å²	124.2	54%	0.54	66%	0.655	S	S	.	*			trans	-81.2	105.8	174.2	-174.5	-3	0	0	0	107.6	T12 Y16 D17	T12-D14 PolarHBondContact O-N 3.2Å; D14-Y16 PolarHBondContact O-N 3.39Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.41Å; D14-Y16 VanDerWaalsContact OD1-CD2 3.25Å; D14-Y16 WeakPolarHBondContact OD1-CD2 3.38Å; D14-Y16 PolarHBondContact OD1-N 3.41Å; D14-D17 PolarHBondContact O-N 3.33Å
15	P	53.2	Low	50.8	Low	90 Å²	90	118.3 Å²	118.3	58%	0.584	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	5.6	178.8	29.9	-35.1	0	0	0	112.9	E13	E13-P15 WeakPolarHBondContact O-CD 3.17Å
16	Y	53.2	Low	52.4	Low	156 Å²	156	113.8 Å²	113.8	61%	0.612	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	20.1	179.8	-53.4	-73.3	0	0	0	114	D14 P18	D14-Y16 PolarHBondContact O-N 3.39Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.41Å; D14-Y16 VanDerWaalsContact OD1-CD2 3.25Å; D14-Y16 WeakPolarHBondContact OD1-CD2 3.38Å; D14-Y16 PolarHBondContact OD1-N 3.41Å; Y16-P18 VanDerWaalsContact O-CD 3.22Å; Y16-P18 WeakPolarHBondContact O-CD 3.33Å; Y16-P18 VanDerWaalsContact O-N 3.16Å
17	D	49.2	Very low	54.5	Low	70 Å²	70	112 Å²	112	37%	0.374	59%	0.593	S	S	.	*			trans	-60	115.4	167.6	-177	-4.9	0	0	0	109.9	D14 C19 I20	D14-D17 PolarHBondContact O-N 3.33Å; D17-C19 PolarHBondContact O-N 3.26Å; D17-C19 VanDerWaalsContact OD1-CB 3.29Å; D17-C19 WeakPolarHBondContact OD1-CB 3.12Å; D17-C19 PolarHBondContact OD1-N 3.45Å; D17-C19 PolarHBondContact OD1-SG 2.93Å; D17-I20 HydrophobicContact CB-CD1 4Å; D17-I20 HydrophobicContact CB-CG1 4.14Å; D17-I20 PolarHBondContact O-N 3.48Å
18	P	52.8	Low	56.6	Low	111 Å²	111	103.4 Å²	103.4	72%	0.721	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-9.6	179	25.4	-34.1	0	0	0	114	Y16 I20	Y16-P18 VanDerWaalsContact O-CD 3.22Å; Y16-P18 WeakPolarHBondContact O-CD 3.33Å; Y16-P18 VanDerWaalsContact O-N 3.16Å; P18-I20 VanDerWaalsContact C-N 3.35Å
19	C	51.2	Low	59	Low	103 Å²	103	97.6 Å²	97.6	70%	0.696	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-19	173.7	-54.9	0	0	0	0	113.3	D17 P21	D17-C19 PolarHBondContact O-N 3.26Å; D17-C19 VanDerWaalsContact OD1-CB 3.29Å; D17-C19 WeakPolarHBondContact OD1-CB 3.12Å; D17-C19 PolarHBondContact OD1-N 3.45Å; D17-C19 PolarHBondContact OD1-SG 2.93Å; C19-P21 WeakPolarHBondContact O-CD 3.19Å
20	I	51	Low	61	Low	97 Å²	97	97.6 Å²	97.6	50%	0.497	53%	0.529	S	S	.	.	S	Bend	trans	-89	120	-178.1	-56.5	173.8	0	0	0	109.3	D17 P18 L22	D17-I20 HydrophobicContact CB-CD1 4Å; D17-I20 HydrophobicContact CB-CG1 4.14Å; D17-I20 PolarHBondContact O-N 3.48Å; P18-I20 VanDerWaalsContact C-N 3.35Å; I20-L22 PolarHBondContact O-N 3.37Å
21	P	59.9	Low	63.5	Low	95 Å²	95	93.5 Å²	93.5	62%	0.617	50%	0.503	S	S	*	.			trans	-61	110.9	175	-20.2	31.9	0	0	0	110.3	C19 Y23	C19-P21 WeakPolarHBondContact O-CD 3.19Å; P21-Y23 PolarHBondContact O-N 3.15Å; P21-Y23 VanDerWaalsContact O-N 3.12Å
22	L	65.2	Low	65.5	Low	60 Å²	60	85.7 Å²	85.7	31%	0.314	46%	0.463	S	S	.	.	S	Bend	trans	-60.5	-22.8	178.5	-66.3	170.5	0	0	0	113.4	I20 L152 A155 K156	I20-L22 PolarHBondContact O-N 3.37Å; L22-L152 HydrophobicContact CD1-CD1 3.28Å; L22-L152 HydrophobicContact CD1-CG 3.75Å; L22-L152 HydrophobicContact CD2-CD1 3.55Å; L22-L152 HydrophobicContact CG-CD1 4.02Å; L22-A155 HydrophobicContact CD1-CB 3.5Å; L22-A155 VanDerWaalsContact CD1-CB 3.5Å; L22-A155 HydrophobicContact CG-CB 4.28Å; L22-K156 HydrophobicContact CD1-CG 3.79Å
23	Y	68.6	Low	67.5	Low	52 Å²	52	86 Å²	86	20%	0.204	46%	0.456	C	S	.	.	S	Bend	trans	-130.4	140.2	178.1	-63.6	-63.3	0	0	0	109.2	P21 A27 I32 F34 K156 F159	P21-Y23 PolarHBondContact O-N 3.15Å; P21-Y23 VanDerWaalsContact O-N 3.12Å; Y23-A27 HydrophobicContact CD1-CB 4.3Å; Y23-I32 HydrophobicContact CD1-CD1 4.39Å; Y23-I32 HydrophobicContact CD1-CG1 4.36Å; Y23-I32 HydrophobicContact CD1-CG2 4.17Å; Y23-I32 HydrophobicContact CD2-CD1 3.77Å; Y23-I32 HydrophobicContact CD2-CG1 4.39Å; Y23-I32 HydrophobicContact CD2-CG2 3.75Å; Y23-I32 HydrophobicContact CE1-CG2 3.81Å; Y23-I32 HydrophobicContact CE2-CD1 4.43Å; Y23-I32 HydrophobicContact CE2-CG2 3.27Å; Y23-I32 HydrophobicContact CG-CD1 3.73Å; Y23-I32 HydrophobicContact CG-CG1 4.19Å; Y23-I32 HydrophobicContact CG-CG2 4.15Å; Y23-F34 HydrophobicContact CE2-CZ 4.39Å; Y23-K156 HydrophobicContact CD2-CG 4.14Å; Y23-K156 HydrophobicContact CE2-CB 4.35Å; Y23-K156 HydrophobicContact CE2-CD 3.61Å; Y23-K156 VanDerWaalsContact CE2-CE 3.48Å; Y23-K156 HydrophobicContact CE2-CG 3.49Å; Y23-K156 VanDerWaalsContact CE2-CG 3.49Å; Y23-K156 WeakPolarHBondContact OH-CE 3.32Å; Y23-K156 PolarHBondContact OH-NZ 2.79Å; Y23-F159 WeakPolarHBondContact O-CE2 3.46Å
24	N	70.8	Confident	69.5	Low	101 Å²	101	77.7 Å²	77.7	54%	0.54	42%	0.417	S	S	.	.			trans	-86.3	163.9	168.3	66.3	8.6	0	0	0	110.1	V26 A27 F28	N24-V26 PolarHBondContact O-N 2.82Å; N24-V26 PolarHBondContact OD1-N 2.79Å; N24-A27 PolarHBondContact O-N 3.04Å; N24-A27 VanDerWaalsContact O-N 3.11Å; N24-A27 WeakPolarHBondContact OD1-CB 3.48Å; N24-A27 PolarHBondContact OD1-N 2.82Å; N24-F28 PolarHBondContact O-N 3Å
25	E	76.1	Confident	71.4	Confident	80 Å²	80	79.9 Å²	79.9	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-59.8	-27.1	178.7	-63.3	-71.6	-175	0	0	112	F28 Q29 R166	E25-F28 WeakPolarHBondContact O-CB 3.44Å; E25-F28 PolarHBondContact O-N 2.78Å; E25-Q29 WeakPolarHBondContact O-CG 3.49Å; E25-Q29 PolarHBondContact O-N 2.89Å; E25-R166 IonicContact OE1-NH1 3.02Å; E25-R166 PolarHBondContact OE1-NH1 2.9Å
26	V	82.3	Confident	73.2	Confident	76 Å²	76	76 Å²	76	46%	0.461	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-41.8	176	-177.6	0	0	0	0	111.6	N24 F28 Q29 H30	N24-V26 PolarHBondContact O-N 2.82Å; N24-V26 PolarHBondContact OD1-N 2.79Å; V26-F28 VanDerWaalsContact C-N 3.25Å; V26-F28 PolarHBondContact O-N 3.43Å; V26-Q29 WeakPolarHBondContact O-CB 3.26Å; V26-Q29 PolarHBondContact O-N 3.43Å; V26-H30 PolarHBondContact O-N 3.01Å; V26-H30 PolarHBondContact O-ND1 2.86Å
27	A	83.3	Confident	75.1	Confident	29 Å²	29	73.4 Å²	73.4	24%	0.24	39%	0.392	C	S	.	.	H	α-helix	trans	-62.8	-36.3	174.3	0	0	0	0	0	111.2	Y23 N24 H30 G31 I32	Y23-A27 HydrophobicContact CD1-CB 4.3Å; N24-A27 PolarHBondContact O-N 3.04Å; N24-A27 VanDerWaalsContact O-N 3.11Å; N24-A27 WeakPolarHBondContact OD1-CB 3.48Å; N24-A27 PolarHBondContact OD1-N 2.82Å; A27-H30 PolarHBondContact O-N 2.89Å; A27-G31 CarbonylContact O-C 3.54Å; A27-G31 PolarHBondContact O-N 2.88Å; A27-I32 HydrophobicContact CB-CG1 4.27Å
28	F	84.1	Confident	77.3	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.018	38%	0.379	C	S	.	.	H	α-helix	trans	-68.9	-32.2	175.8	-175.7	-118.7	0	0	0	113.1	N24 E25 V26 I32 I78 S79 V80 I110 F159 L160 L167	N24-F28 PolarHBondContact O-N 3Å; E25-F28 WeakPolarHBondContact O-CB 3.44Å; E25-F28 PolarHBondContact O-N 2.78Å; V26-F28 VanDerWaalsContact C-N 3.25Å; V26-F28 PolarHBondContact O-N 3.43Å; F28-I32 HydrophobicContact CB-CD1 4.08Å; F28-I32 HydrophobicContact CD2-CD1 4.15Å; F28-I78 HydrophobicContact CE2-CG2 4.11Å; F28-S79 WeakPolarHBondContact O-CA 3.22Å; F28-S79 WeakPolarHBondContact O-CB 3.02Å; F28-V80 HydrophobicContact CD1-CG1 3.95Å; F28-V80 HydrophobicContact CE1-CG1 3.87Å; F28-V80 PolarHBondContact O-N 3.21Å; F28-I110 HydrophobicContact CZ-CD1 4.43Å; F28-F159 HydrophobicContact CB-CE1 4.1Å; F28-F159 HydrophobicContact CB-CZ 4.25Å; F28-F159 HydrophobicContact CD2-CE1 4.5Å; F28-F159 HydrophobicContact CG-CE1 4.41Å; F28-L160 HydrophobicContact CD2-CD2 4Å; F28-L160 HydrophobicContact CE2-CD2 3.94Å; F28-L167 HydrophobicContact CE1-CD1 3.67Å; F28-L167 HydrophobicContact CZ-CD1 4.07Å
29	Q	86.4	Confident	79.4	Confident	112 Å²	112	66.4 Å²	66.4	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-45.1	172.8	-71.8	173	-3	0	0	111.9	E25 V26 V80	E25-Q29 WeakPolarHBondContact O-CG 3.49Å; E25-Q29 PolarHBondContact O-N 2.89Å; V26-Q29 WeakPolarHBondContact O-CB 3.26Å; V26-Q29 PolarHBondContact O-N 3.43Å; Q29-V80 HydrophobicContact CG-CG1 4.45Å
30	H	83.9	Confident	81.5	Confident	150 Å²	150	61.6 Å²	61.6	69%	0.694	31%	0.314	S	S	*	.	H	α-helix	trans	-87.4	-19.9	-174.8	-60.1	88.1	0	0	0	113.6	V26 A27	V26-H30 PolarHBondContact O-N 3.01Å; V26-H30 PolarHBondContact O-ND1 2.86Å; A27-H30 PolarHBondContact O-N 2.89Å
31	G	86.1	Confident	83.6	Confident	14 Å²	14	58.5 Å²	58.5	14%	0.144	30%	0.301	C	S	.	.			trans	114.7	126	178.9	0	0	0	0	0	112.8	A27 I78	A27-G31 CarbonylContact O-C 3.54Å; A27-G31 PolarHBondContact O-N 2.88Å; G31-I78 WeakPolarHBondContact CA-O 3.36Å
32	I	86	Confident	85.3	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.2	175.2	-59	169.5	0	0	0	108.6	Y23 A27 F28 F34 I77 I78 F159 L160	Y23-I32 HydrophobicContact CD1-CD1 4.39Å; Y23-I32 HydrophobicContact CD1-CG1 4.36Å; Y23-I32 HydrophobicContact CD1-CG2 4.17Å; Y23-I32 HydrophobicContact CD2-CD1 3.77Å; Y23-I32 HydrophobicContact CD2-CG1 4.39Å; Y23-I32 HydrophobicContact CD2-CG2 3.75Å; Y23-I32 HydrophobicContact CE1-CG2 3.81Å; Y23-I32 HydrophobicContact CE2-CD1 4.43Å; Y23-I32 HydrophobicContact CE2-CG2 3.27Å; Y23-I32 HydrophobicContact CG-CD1 3.73Å; Y23-I32 HydrophobicContact CG-CG1 4.19Å; Y23-I32 HydrophobicContact CG-CG2 4.15Å; A27-I32 HydrophobicContact CB-CG1 4.27Å; F28-I32 HydrophobicContact CB-CD1 4.08Å; F28-I32 HydrophobicContact CD2-CD1 4.15Å; I32-F34 HydrophobicContact CB-CE2 3.88Å; I32-F34 HydrophobicContact CG2-CD2 4.08Å; I32-F34 HydrophobicContact CG2-CE2 3.31Å; I32-F34 HydrophobicContact CG2-CZ 3.79Å; I32-F34 WeakPolarHBondContact O-CD2 3.48Å; I32-I77 WeakPolarHBondContact O-CA 3.45Å; I32-I78 PolarHBondContact N-O 2.71Å; I32-I78 PolarHBondContact O-N 3.43Å; I32-F159 HydrophobicContact CD1-CD1 4.04Å; I32-F159 HydrophobicContact CD1-CE1 3.55Å; I32-L160 HydrophobicContact CD1-CD2 4.12Å
33	H	84.7	Confident	86.6	Confident	118 Å²	118	59 Å²	59	55%	0.546	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.5	-179	-72.2	-109.8	0	0	0	112.5	L76	H33-L76 CarbonylContact C-O 3.52Å; H33-L76 WeakPolarHBondContact CA-O 3.42Å
34	F	84.5	Confident	87.8	Confident	10 Å²	10	57.8 Å²	57.8	4%	0.044	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.5	176.6	-65.3	-103.7	0	0	0	111.2	Y23 I32 D75 L76 I78 K156 L160	Y23-F34 HydrophobicContact CE2-CZ 4.39Å; I32-F34 HydrophobicContact CB-CE2 3.88Å; I32-F34 HydrophobicContact CG2-CD2 4.08Å; I32-F34 HydrophobicContact CG2-CE2 3.31Å; I32-F34 HydrophobicContact CG2-CZ 3.79Å; I32-F34 WeakPolarHBondContact O-CD2 3.48Å; F34-D75 CarbonylContact O-C 3.59Å; F34-D75 WeakPolarHBondContact O-CA 3.24Å; F34-L76 HydrophobicContact CB-CB 4.15Å; F34-L76 HydrophobicContact CB-CD1 4.41Å; F34-L76 PolarHBondContact N-O 2.97Å; F34-L76 PolarHBondContact O-N 3.25Å; F34-I78 HydrophobicContact CD2-CD1 3.76Å; F34-I78 HydrophobicContact CD2-CG1 4.14Å; F34-I78 HydrophobicContact CE2-CB 4.37Å; F34-I78 HydrophobicContact CE2-CD1 3.72Å; F34-I78 HydrophobicContact CE2-CG1 4.19Å; F34-I78 HydrophobicContact CZ-CD1 4.47Å; F34-K156 HydrophobicContact CD1-CD 4.1Å; F34-K156 HydrophobicContact CE1-CB 3.48Å; F34-K156 VanDerWaalsContact CE1-CB 3.48Å; F34-K156 HydrophobicContact CE1-CD 3.39Å; F34-K156 HydrophobicContact CE1-CG 4Å; F34-K156 HydrophobicContact CZ-CB 3.77Å; F34-K156 HydrophobicContact CZ-CD 3.97Å; F34-K156 HydrophobicContact CZ-CG 4.3Å; F34-L160 HydrophobicContact CE1-CD1 4.31Å; F34-L160 HydrophobicContact CE2-CD1 3.7Å; F34-L160 HydrophobicContact CZ-CD1 3.46Å; F34-L160 VanDerWaalsContact CZ-CD1 3.46Å; F34-L160 HydrophobicContact CZ-CG 4.27Å
35	E	87.2	Confident	88.8	Confident	147 Å²	147	61.8 Å²	61.8	69%	0.687	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.6	166.8	-62.1	-173.5	-177.6	0	0	110.3
36	A	91.5	Very high	89.6	Confident	9 Å²	9	66.4 Å²	66.4	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	174.1	177	0	0	0	0	0	112.5	V74 L76 F126 F143	A36-V74 HydrophobicContact CB-CG2 4.34Å; A36-V74 PolarHBondContact N-O 3.17Å; A36-V74 WeakPolarHBondContact O-CG2 3.42Å; A36-V74 PolarHBondContact O-N 3.39Å; A36-L76 HydrophobicContact CB-CD1 3.65Å; A36-F126 HydrophobicContact CB-CE1 3.96Å; A36-F126 HydrophobicContact CB-CZ 4.17Å; A36-F143 HydrophobicContact CB-CB 4.17Å; A36-F143 HydrophobicContact CB-CD1 4.36Å
37	K	92.9	Very high	90.1	Very high	101 Å²	101	63.2 Å²	63.2	44%	0.439	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.7	167.4	-62.9	-176.2	-178.4	177.5	0	108.8	I39 K71 K72 K73 F143 K144	K37-I39 PolarHBondContact O-N 3.16Å; K37-K71 HydrophobicContact CB-CB 3.81Å; K37-K71 HydrophobicContact CB-CD 4.23Å; K37-K71 HydrophobicContact CD-CB 4.47Å; K37-K72 CarbonylContact C-O 3.56Å; K37-K72 WeakPolarHBondContact CA-O 3.45Å; K37-K73 HydrophobicContact CG-CG 4.48Å; K37-F143 CarbonylContact O-C 3.19Å; K37-F143 WeakPolarHBondContact O-CA 3.33Å; K37-K144 PolarHBondContact N-O 2.82Å; K37-K144 PolarHBondContact O-N 3.33Å
38	Y	95	Very high	90.6	Very high	27 Å²	27	66.1 Å²	66.1	11%	0.106	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.6	172.9	-178.7	-123.7	0	0	0	109.8	G40 S41 K71 K72 M106 N141 V142 F143	Y38-G40 VanDerWaalsContact CE2-O 3.24Å; Y38-G40 WeakPolarHBondContact CE2-O 3.49Å; Y38-G40 VanDerWaalsContact CZ-C 3.44Å; Y38-G40 VanDerWaalsContact OH-C 3.23Å; Y38-S41 WeakPolarHBondContact OH-CB 3.15Å; Y38-S41 PolarHBondContact OH-N 2.81Å; Y38-S41 PolarHBondContact OH-OG 2.8Å; Y38-K71 CarbonylContact O-C 3.52Å; Y38-K71 WeakPolarHBondContact O-CA 3.41Å; Y38-K71 WeakPolarHBondContact O-CB 3.11Å; Y38-K72 PolarHBondContact N-O 3.26Å; Y38-K72 PolarHBondContact O-N 3.22Å; Y38-M106 HydrophobicContact CE1-CE 4.22Å; Y38-M106 HydrophobicContact CE2-CE 4.18Å; Y38-N141 HydrophobicContact CE2-CB 4.31Å; Y38-V142 WeakPolarHBondContact CD2-O 3.31Å; Y38-F143 AromaticContact CD2-CD1 3.85Å; Y38-F143 HydrophobicContact CD2-CD1 3.85Å; Y38-F143 AromaticContact CD2-CE1 3.42Å; Y38-F143 HydrophobicContact CD2-CE1 3.42Å; Y38-F143 VanDerWaalsContact CD2-CE1 3.42Å; Y38-F143 HydrophobicContact CD2-CE2 4.31Å; Y38-F143 HydrophobicContact CD2-CG 4.45Å; Y38-F143 AromaticContact CD2-CZ 3.67Å; Y38-F143 HydrophobicContact CD2-CZ 3.67Å; Y38-F143 HydrophobicContact CE2-CE1 4.29Å; Y38-F143 HydrophobicContact CE2-CZ 4.09Å; Y38-F143 HydrophobicContact CG-CD1 4.45Å; Y38-F143 HydrophobicContact CG-CE1 4.09Å
39	I	95.9	Very high	91.1	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-50.1	179.4	-54.4	-174.3	0	0	0	109.4	K37 F64 K71 I125 V142 K144	K37-I39 PolarHBondContact O-N 3.16Å; I39-F64 HydrophobicContact CG2-CB 4.09Å; I39-F64 WeakPolarHBondContact O-CD1 3.48Å; I39-F64 WeakPolarHBondContact O-CE1 3.45Å; I39-K71 HydrophobicContact CG1-CD 4.06Å; I39-K71 HydrophobicContact CG1-CG 4.32Å; I39-I125 HydrophobicContact CD1-CD1 3.69Å; I39-V142 HydrophobicContact CB-CB 4.45Å; I39-V142 WeakPolarHBondContact CB-O 3.36Å; I39-V142 HydrophobicContact CD1-CG1 3.97Å; I39-V142 PolarHBondContact N-O 3.2Å; I39-K144 HydrophobicContact CD1-CB 4.03Å; I39-K144 HydrophobicContact CG1-CB 4.23Å
40	G	95.6	Very high	91.3	Very high	1 Å²	1	72 Å²	72	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-174.8	-174	0	0	0	0	0	111.6	Y38 V142	Y38-G40 VanDerWaalsContact CE2-O 3.24Å; Y38-G40 WeakPolarHBondContact CE2-O 3.49Å; Y38-G40 VanDerWaalsContact CZ-C 3.44Å; Y38-G40 VanDerWaalsContact OH-C 3.23Å; G40-V142 PolarHBondContact O-N 3.34Å
41	S	95.8	Very high	91.8	Very high	32 Å²	32	71.4 Å²	71.4	22%	0.224	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.9	177	56.9	0	0	0	0	111.3	Y38 K139 C140 N141	Y38-S41 WeakPolarHBondContact OH-CB 3.15Å; Y38-S41 PolarHBondContact OH-N 2.81Å; Y38-S41 PolarHBondContact OH-OG 2.8Å; S41-K139 VanDerWaalsContact OG-CE 3.29Å; S41-K139 WeakPolarHBondContact OG-CE 3.49Å; S41-C140 WeakPolarHBondContact CA-O 3.21Å; S41-C140 WeakPolarHBondContact CB-O 3.36Å; S41-N141 WeakPolarHBondContact CB-OD1 3.35Å
42	M	94.6	Very high	92.2	Very high	35 Å²	35	74.6 Å²	74.6	17%	0.172	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.7	163.2	68.1	179.4	-67	0	0	110.9	A56 R59 V60 K139 C140	M42-A56 VanDerWaalsContact SD-CA 3.58Å; M42-A56 HydrophobicContact SD-CB 3.7Å; M42-R59 HydrophobicContact SD-CB 4.08Å; M42-R59 HydrophobicContact SD-CG 4.29Å; M42-V60 HydrophobicContact CB-CG2 3.63Å; M42-V60 HydrophobicContact CG-CG2 3.4Å; M42-V60 VanDerWaalsContact CG-CG2 3.4Å; M42-V60 HydrophobicContact SD-CG2 3.78Å; M42-K139 WeakPolarHBondContact O-CA 3.26Å; M42-C140 HydrophobicContact CG-CB 4.21Å; M42-C140 PolarHBondContact N-O 3.29Å; M42-C140 VanDerWaalsContact N-O 3.12Å; M42-C140 PolarHBondContact O-N 2.84Å
43	E	94.3	Very high	92.7	Very high	130 Å²	130	74.9 Å²	74.9	61%	0.607	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.7	167.9	-68.2	176.6	-172.7	0	0	109.7	F138 K139	E43-F138 CarbonylContact C-O 3.6Å; E43-F138 WeakPolarHBondContact CA-O 3.22Å; E43-K139 IonicContact OE1-NZ 3.87Å
44	M	92.7	Very high	93.2	Very high	28 Å²	28	71.1 Å²	71.1	14%	0.138	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	159.4	-179.3	60.9	-174.9	-64.6	0	0	110.4	P47 A56 I129 F138 C140	M44-P47 HydrophobicContact CE-CB 3.7Å; M44-P47 HydrophobicContact CE-CG 4.06Å; M44-A56 HydrophobicContact CE-CB 4.01Å; M44-A56 HydrophobicContact SD-CB 3.73Å; M44-I129 HydrophobicContact SD-CD1 4.14Å; M44-F138 HydrophobicContact CG-CB 3.91Å; M44-F138 PolarHBondContact N-O 3.5Å; M44-F138 PolarHBondContact O-N 3.25Å; M44-C140 HydrophobicContact SD-CB 3.97Å
45	F	92.5	Very high	93.7	Very high	184 Å²	184	73.3 Å²	73.3	81%	0.807	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-68.9	169.2	166.1	-61.4	-68.8	0	0	0	110.6	P47	F45-P47 VanDerWaalsContact O-CD 3.29Å; F45-P47 WeakPolarHBondContact O-CD 3.38Å; F45-P47 VanDerWaalsContact O-N 3.09Å
46	R	93.2	Very high	94.2	Very high	177 Å²	177	66.6 Å²	66.6	67%	0.668	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-56.3	116.1	175.6	-172	171.1	-176.2	-106.8	3.1	109.4	F138	R46-F138 VanDerWaalsContact CA-CD2 3.44Å; R46-F138 HydrophobicContact CB-CD2 3.89Å; R46-F138 HydrophobicContact CB-CE2 3.39Å; R46-F138 HydrophobicContact CB-CZ 3.91Å; R46-F138 HydrophobicContact CG-CD2 4.47Å; R46-F138 HydrophobicContact CG-CE1 4.41Å; R46-F138 HydrophobicContact CG-CE2 3.74Å; R46-F138 HydrophobicContact CG-CZ 3.68Å
47	P	93	Very high	94.5	Very high	9 Å²	9	66.2 Å²	66.2	6%	0.058	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-67.8	137.3	-178.5	26.3	-33.5	0	0	0	110.8	M44 F45 E52 I53 F114 I129	M44-P47 HydrophobicContact CE-CB 3.7Å; M44-P47 HydrophobicContact CE-CG 4.06Å; F45-P47 VanDerWaalsContact O-CD 3.29Å; F45-P47 WeakPolarHBondContact O-CD 3.38Å; F45-P47 VanDerWaalsContact O-N 3.09Å; P47-E52 VanDerWaalsContact CA-OE2 3.27Å; P47-E52 WeakPolarHBondContact CA-OE2 3.29Å; P47-E52 HydrophobicContact CB-CB 4.22Å; P47-I53 HydrophobicContact CB-CD1 4.42Å; P47-I53 HydrophobicContact CB-CG1 3.78Å; P47-I53 HydrophobicContact CG-CD1 4.3Å; P47-I53 HydrophobicContact CG-CG1 3.96Å; P47-F114 HydrophobicContact CG-CD1 4.05Å; P47-F114 HydrophobicContact CG-CE1 3.36Å; P47-F114 HydrophobicContact CG-CZ 3.96Å; P47-I129 HydrophobicContact CG-CD1 4.18Å
48	A	93	Very high	94.7	Very high	91 Å²	91	64.1 Å²	64.1	75%	0.752	32%	0.32	S	S	*	.			trans	-94.8	-17.4	177.7	0	0	0	0	0	112.9	E52	A48-E52 PolarHBondContact N-OE2 2.75Å
49	S	94.7	Very high	94.8	Very high	45 Å²	45	70.5 Å²	70.5	32%	0.315	34%	0.344	S	S	.	.	S	Bend	trans	-144.4	159.5	-174.8	68.7	0	0	0	0	113.3	I51 E52 I53	S49-I51 PolarHBondContact O-N 2.89Å; S49-E52 PolarHBondContact O-N 2.74Å; S49-E52 PolarHBondContact OG-N 2.97Å; S49-E52 PolarHBondContact OG-OE1 3.03Å; S49-I53 PolarHBondContact O-N 3.24Å
50	R	90.6	Very high	94.9	Very high	193 Å²	193	70.1 Å²	70.1	73%	0.728	34%	0.343	S	S	*	.	H	α-helix	trans	-60.1	-30.7	170.8	-68.3	-178.3	179.6	173.1	1.7	112	I53 V54	R50-I53 PolarHBondContact O-N 3.13Å; R50-V54 WeakPolarHBondContact O-CG2 3.45Å; R50-V54 PolarHBondContact O-N 2.94Å
51	I	93.6	Very high	94.9	Very high	139 Å²	139	71.7 Å²	71.7	71%	0.713	35%	0.348	S	S	*	.	H	α-helix	trans	-64.4	-44.3	179.7	-61.7	174.2	0	0	0	110.2	S49 I53 V54 A55	S49-I51 PolarHBondContact O-N 2.89Å; I51-I53 VanDerWaalsContact C-N 3.32Å; I51-I53 PolarHBondContact O-N 3.23Å; I51-V54 PolarHBondContact O-N 3.15Å; I51-A55 VanDerWaalsContact O-CB 3.31Å; I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.32Å
52	E	95.6	Very high	95	Very high	80 Å²	80	76 Å²	76	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-39.7	176	-76	164.8	-127.9	0	0	112.5	P47 A48 S49 A55 A56	P47-E52 VanDerWaalsContact CA-OE2 3.27Å; P47-E52 WeakPolarHBondContact CA-OE2 3.29Å; P47-E52 HydrophobicContact CB-CB 4.22Å; A48-E52 PolarHBondContact N-OE2 2.75Å; S49-E52 PolarHBondContact O-N 2.74Å; S49-E52 PolarHBondContact OG-N 2.97Å; S49-E52 PolarHBondContact OG-OE1 3.03Å; E52-A55 PolarHBondContact O-N 3.34Å; E52-A56 WeakPolarHBondContact O-CB 3.17Å; E52-A56 PolarHBondContact O-N 3.41Å
53	I	94.9	Very high	95.1	Very high	9 Å²	9	77.1 Å²	77.1	5%	0.046	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-48.5	177.6	-64.7	174	0	0	0	110.5	P47 S49 R50 I51 A56 M57 Y115 S117 I129	P47-I53 HydrophobicContact CB-CD1 4.42Å; P47-I53 HydrophobicContact CB-CG1 3.78Å; P47-I53 HydrophobicContact CG-CD1 4.3Å; P47-I53 HydrophobicContact CG-CG1 3.96Å; S49-I53 PolarHBondContact O-N 3.24Å; R50-I53 PolarHBondContact O-N 3.13Å; I51-I53 VanDerWaalsContact C-N 3.32Å; I51-I53 PolarHBondContact O-N 3.23Å; I53-A56 PolarHBondContact O-N 3.22Å; I53-M57 WeakPolarHBondContact O-CB 3.44Å; I53-M57 PolarHBondContact O-N 3.48Å; I53-Y115 HydrophobicContact CD1-CD1 3.62Å; I53-Y115 HydrophobicContact CD1-CD2 4.3Å; I53-Y115 HydrophobicContact CD1-CE1 3.86Å; I53-Y115 HydrophobicContact CD1-CG 3.85Å; I53-Y115 HydrophobicContact CG2-CD1 4.09Å; I53-Y115 HydrophobicContact CG2-CE1 4.33Å; I53-S117 WeakPolarHBondContact CG2-OG 3.07Å; I53-I129 HydrophobicContact CB-CD1 4.42Å; I53-I129 HydrophobicContact CD1-CD1 4.36Å; I53-I129 HydrophobicContact CG1-CD1 3.88Å; I53-I129 HydrophobicContact CG2-CD1 4.04Å
54	V	95.2	Very high	95.2	Very high	39 Å²	39	72.8 Å²	72.8	24%	0.236	34%	0.344	C	S	.	.	H	α-helix	trans	-65.3	-40.8	178	175.2	0	0	0	0	110.8	R50 I51 M57 R58	R50-V54 WeakPolarHBondContact O-CG2 3.45Å; R50-V54 PolarHBondContact O-N 2.94Å; I51-V54 PolarHBondContact O-N 3.15Å; V54-M57 PolarHBondContact O-N 2.89Å; V54-R58 HydrophobicContact CG1-CG 4.35Å; V54-R58 WeakPolarHBondContact O-CB 3.49Å; V54-R58 WeakPolarHBondContact O-CG 3.35Å; V54-R58 PolarHBondContact O-N 3.32Å
55	A	96.6	Very high	95.3	Very high	56 Å²	56	79.1 Å²	79.1	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-45.6	177.2	0	0	0	0	0	111.8	I51 E52 R58 R59	I51-A55 VanDerWaalsContact O-CB 3.31Å; I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.32Å; E52-A55 PolarHBondContact O-N 3.34Å; A55-R58 PolarHBondContact O-N 3.25Å; A55-R59 WeakPolarHBondContact O-CB 3.48Å; A55-R59 PolarHBondContact O-N 3.09Å
56	A	97.2	Very high	95.6	Very high	7 Å²	7	74.7 Å²	74.7	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-61.7	-47.4	175.9	0	0	0	0	0	111.8	M42 M44 E52 I53 R58 R59 V60	M42-A56 VanDerWaalsContact SD-CA 3.58Å; M42-A56 HydrophobicContact SD-CB 3.7Å; M44-A56 HydrophobicContact CE-CB 4.01Å; M44-A56 HydrophobicContact SD-CB 3.73Å; E52-A56 WeakPolarHBondContact O-CB 3.17Å; E52-A56 PolarHBondContact O-N 3.41Å; I53-A56 PolarHBondContact O-N 3.22Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 2.98Å; A56-R59 PolarHBondContact O-N 3.4Å; A56-V60 WeakPolarHBondContact O-CG2 3.24Å; A56-V60 PolarHBondContact O-N 3.49Å
57	M	96.8	Very high	95.7	Very high	1 Å²	1	74 Å²	74	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-57	-46.3	176.8	-175.4	-161	-68.1	0	0	111.8	I53 V54 R61 S117 D119 I125 S127 V142	I53-M57 WeakPolarHBondContact O-CB 3.44Å; I53-M57 PolarHBondContact O-N 3.48Å; V54-M57 PolarHBondContact O-N 2.89Å; M57-R61 PolarHBondContact O-N 2.87Å; M57-R61 VanDerWaalsContact O-N 3.17Å; M57-S117 VanDerWaalsContact CE-OG 3.28Å; M57-S117 WeakPolarHBondContact CE-OG 3.5Å; M57-D119 HydrophobicContact SD-CB 3.81Å; M57-I125 HydrophobicContact CG-CG2 4.1Å; M57-I125 HydrophobicContact SD-CG2 3.76Å; M57-S127 WeakPolarHBondContact CE-OG 3.44Å; M57-V142 HydrophobicContact CG-CG1 3.94Å; M57-V142 HydrophobicContact CG-CG2 4.1Å
58	R	97	Very high	95.8	Very high	56 Å²	56	76.4 Å²	76.4	21%	0.211	39%	0.393	C	S	.	.	H	α-helix	trans	-66.7	-39.5	178.1	-72.8	-175.8	177.3	168.8	6.6	112.3	V54 A55 A56 R61 Y62 D119 Q121	V54-R58 HydrophobicContact CG1-CG 4.35Å; V54-R58 WeakPolarHBondContact O-CB 3.49Å; V54-R58 WeakPolarHBondContact O-CG 3.35Å; V54-R58 PolarHBondContact O-N 3.32Å; A55-R58 PolarHBondContact O-N 3.25Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 2.98Å; R58-R61 WeakPolarHBondContact O-CB 3.48Å; R58-R61 PolarHBondContact O-N 2.83Å; R58-Y62 HydrophobicContact CB-CD2 4.33Å; R58-Y62 HydrophobicContact CB-CE2 3.9Å; R58-Y62 WeakPolarHBondContact O-CD2 3.43Å; R58-Y62 PolarHBondContact O-N 3.46Å; R58-D119 IonicContact CZ-OD1 3.06Å; R58-D119 IonicContact NE-OD1 2.9Å; R58-D119 PolarHBondContact NE-OD1 2.92Å; R58-D119 IonicContact NE-OD2 2.85Å; R58-D119 PolarHBondContact NE-OD2 3.19Å; R58-D119 IonicContact NH2-OD1 3.92Å; R58-D119 PolarHBondContact NH2-OD1 2.99Å; R58-Q121 VanDerWaalsContact NH2-CG 3.33Å
59	R	97.5	Very high	95.7	Very high	161 Å²	161	75.6 Å²	75.6	61%	0.608	38%	0.375	S	S	*	.	H	α-helix	trans	-57.6	-49.9	175.9	-175.9	172.2	179.8	157.7	1.8	111.4	M42 A55 A56 R61 Y62 E63	M42-R59 HydrophobicContact SD-CB 4.08Å; M42-R59 HydrophobicContact SD-CG 4.29Å; A55-R59 WeakPolarHBondContact O-CB 3.48Å; A55-R59 PolarHBondContact O-N 3.09Å; A56-R59 PolarHBondContact O-N 3.4Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 2.83Å; R59-Y62 PolarHBondContact O-N 3.36Å; R59-E63 VanDerWaalsContact O-CB 3.26Å; R59-E63 WeakPolarHBondContact O-CB 3.43Å; R59-E63 PolarHBondContact O-N 2.85Å
60	V	97.4	Very high	95.6	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-55.7	-48.3	174.6	175.4	0	0	0	0	110.8	M42 A56 Y62 F64 V142	M42-V60 HydrophobicContact CB-CG2 3.63Å; M42-V60 HydrophobicContact CG-CG2 3.4Å; M42-V60 VanDerWaalsContact CG-CG2 3.4Å; M42-V60 HydrophobicContact SD-CG2 3.78Å; A56-V60 WeakPolarHBondContact O-CG2 3.24Å; A56-V60 PolarHBondContact O-N 3.49Å; V60-Y62 VanDerWaalsContact C-N 3.34Å; V60-Y62 PolarHBondContact O-N 3.11Å; V60-F64 HydrophobicContact CG1-CD2 3.93Å; V60-F64 HydrophobicContact CG1-CE2 4.05Å; V60-F64 WeakPolarHBondContact O-CB 3.32Å; V60-F64 WeakPolarHBondContact O-CD2 3.29Å; V60-F64 PolarHBondContact O-N 2.91Å; V60-F64 VanDerWaalsContact O-N 3.13Å; V60-V142 HydrophobicContact CB-CB 4.39Å; V60-V142 HydrophobicContact CB-CG2 3.75Å; V60-V142 HydrophobicContact CG1-CB 3.94Å; V60-V142 HydrophobicContact CG1-CG2 3.76Å; V60-V142 HydrophobicContact CG2-CG2 4.02Å
61	R	96.6	Very high	95.7	Very high	33 Å²	33	73.6 Å²	73.6	13%	0.125	38%	0.379	C	S	.	.	H	α-helix	trans	-58	-46.3	-178.5	-176.4	176.4	67.9	-161.8	-12.9	112.2	M57 R58 R59 K65 D119 D122	M57-R61 PolarHBondContact O-N 2.87Å; M57-R61 VanDerWaalsContact O-N 3.17Å; R58-R61 WeakPolarHBondContact O-CB 3.48Å; R58-R61 PolarHBondContact O-N 2.83Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 2.83Å; R61-K65 VanDerWaalsContact O-CB 3.31Å; R61-K65 WeakPolarHBondContact O-CB 3.44Å; R61-K65 PolarHBondContact O-N 3.06Å; R61-D119 IonicContact CZ-OD2 3.25Å; R61-D119 VanDerWaalsContact CZ-OD2 3.27Å; R61-D119 IonicContact NH1-OD2 3.47Å; R61-D119 PolarHBondContact NH1-OD2 3.39Å; R61-D119 IonicContact NH2-OD2 3.62Å; R61-D119 PolarHBondContact NH2-OD2 2.97Å; R61-D122 VanDerWaalsContact NH1-CB 3.28Å; R61-D122 IonicContact NH1-OD2 2.69Å; R61-D122 PolarHBondContact NH1-OD2 2.95Å
62	Y	97.2	Very high	95.6	Very high	123 Å²	123	72.6 Å²	72.6	48%	0.482	37%	0.37	S	S	.	.	H	α-helix	trans	-77.3	-39.2	-175.4	-60	-39.7	0	0	0	112.6	R58 R59 V60 K65 A66	R58-Y62 HydrophobicContact CB-CD2 4.33Å; R58-Y62 HydrophobicContact CB-CE2 3.9Å; R58-Y62 WeakPolarHBondContact O-CD2 3.43Å; R58-Y62 PolarHBondContact O-N 3.46Å; R59-Y62 PolarHBondContact O-N 3.36Å; V60-Y62 VanDerWaalsContact C-N 3.34Å; V60-Y62 PolarHBondContact O-N 3.11Å; Y62-K65 PolarHBondContact O-N 3.32Å; Y62-A66 WeakPolarHBondContact O-CB 3.37Å; Y62-A66 PolarHBondContact O-N 2.93Å
63	E	96.7	Very high	95.4	Very high	59 Å²	59	73.4 Å²	73.4	28%	0.276	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-47.9	177.5	-175.9	175.1	165.2	0	0	111.6	R59 K65 A66 R67	R59-E63 VanDerWaalsContact O-CB 3.26Å; R59-E63 WeakPolarHBondContact O-CB 3.43Å; R59-E63 PolarHBondContact O-N 2.85Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 3.39Å; E63-A66 PolarHBondContact O-N 2.85Å; E63-R67 WeakPolarHBondContact O-CG 3.02Å; E63-R67 PolarHBondContact O-N 3.12Å; E63-R67 IonicContact OE1-CZ 3.27Å; E63-R67 IonicContact OE1-NE 2.83Å; E63-R67 IonicContact OE1-NH1 3.42Å; E63-R67 PolarHBondContact OE1-NH1 2.85Å; E63-R67 IonicContact OE1-NH2 2.95Å; E63-R67 PolarHBondContact OE1-NH2 2.91Å
64	F	96.4	Very high	95.3	Very high	39 Å²	39	73 Å²	73	17%	0.171	37%	0.37	C	S	.	.	H	α-helix	trans	-68.7	-33.1	179	-80.3	-107.5	0	0	0	112.2	I39 V60 G68 I69	I39-F64 HydrophobicContact CG2-CB 4.09Å; I39-F64 WeakPolarHBondContact O-CD1 3.48Å; I39-F64 WeakPolarHBondContact O-CE1 3.45Å; V60-F64 HydrophobicContact CG1-CD2 3.93Å; V60-F64 HydrophobicContact CG1-CE2 4.05Å; V60-F64 WeakPolarHBondContact O-CB 3.32Å; V60-F64 WeakPolarHBondContact O-CD2 3.29Å; V60-F64 PolarHBondContact O-N 2.91Å; V60-F64 VanDerWaalsContact O-N 3.13Å; F64-G68 PolarHBondContact O-N 2.69Å; F64-I69 HydrophobicContact CD1-CB 3.84Å; F64-I69 HydrophobicContact CD1-CD1 3.84Å; F64-I69 HydrophobicContact CD1-CG1 4.45Å; F64-I69 HydrophobicContact CD1-CG2 3.72Å; F64-I69 HydrophobicContact CE1-CD1 4.05Å; F64-I69 HydrophobicContact CE1-CG2 4.15Å; F64-I69 HydrophobicContact CG-CD1 4.45Å; F64-I69 PolarHBondContact O-N 3.3Å
65	K	96	Very high	95	Very high	160 Å²	160	73.3 Å²	73.3	70%	0.696	37%	0.37	S	S	*	.	H	α-helix	trans	-65	-46.6	172.6	-175.3	-177.1	177.4	-172.1	0	111.2	R61 Y62 E63 R67 G68	R61-K65 VanDerWaalsContact O-CB 3.31Å; R61-K65 WeakPolarHBondContact O-CB 3.44Å; R61-K65 PolarHBondContact O-N 3.06Å; Y62-K65 PolarHBondContact O-N 3.32Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 3.39Å; K65-R67 VanDerWaalsContact C-N 3.33Å; K65-R67 PolarHBondContact O-N 2.81Å; K65-G68 PolarHBondContact O-N 2.78Å
66	A	97.5	Very high	94.8	Very high	92 Å²	92	70.7 Å²	70.7	76%	0.76	35%	0.348	S	S	*	.	H	α-helix	trans	-64.7	-36.6	-179.1	0	0	0	0	0	112.4	Y62 E63 G68	Y62-A66 WeakPolarHBondContact O-CB 3.37Å; Y62-A66 PolarHBondContact O-N 2.93Å; E63-A66 PolarHBondContact O-N 2.85Å; A66-G68 VanDerWaalsContact C-N 3.25Å; A66-G68 PolarHBondContact O-N 3.34Å
67	R	96.6	Very high	94.4	Very high	162 Å²	162	72 Å²	72	61%	0.611	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-1	175.7	-67.4	-176.3	-178.8	161.9	11.6	114.5	E63 K65 I69	E63-R67 WeakPolarHBondContact O-CG 3.02Å; E63-R67 PolarHBondContact O-N 3.12Å; E63-R67 IonicContact OE1-CZ 3.27Å; E63-R67 IonicContact OE1-NE 2.83Å; E63-R67 IonicContact OE1-NH1 3.42Å; E63-R67 PolarHBondContact OE1-NH1 2.85Å; E63-R67 IonicContact OE1-NH2 2.95Å; E63-R67 PolarHBondContact OE1-NH2 2.91Å; K65-R67 VanDerWaalsContact C-N 3.33Å; K65-R67 PolarHBondContact O-N 2.81Å; R67-I69 HydrophobicContact CB-CD1 3.86Å; R67-I69 HydrophobicContact CB-CG1 3.84Å; R67-I69 PolarHBondContact O-N 3.01Å
68	G	94.9	Very high	94	Very high	60 Å²	60	72.2 Å²	72.2	62%	0.619	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	20.9	-177.8	0	0	0	0	0	114.4	F64 K65 A66 S70	F64-G68 PolarHBondContact O-N 2.69Å; K65-G68 PolarHBondContact O-N 2.78Å; A66-G68 VanDerWaalsContact C-N 3.25Å; A66-G68 PolarHBondContact O-N 3.34Å; G68-S70 PolarHBondContact O-N 3.45Å
69	I	91.5	Very high	93.7	Very high	74 Å²	74	70 Å²	70	38%	0.379	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-75.3	122.4	-177.4	-60.8	170.5	0	0	0	109	F64 R67	F64-I69 HydrophobicContact CD1-CB 3.84Å; F64-I69 HydrophobicContact CD1-CD1 3.84Å; F64-I69 HydrophobicContact CD1-CG1 4.45Å; F64-I69 HydrophobicContact CD1-CG2 3.72Å; F64-I69 HydrophobicContact CE1-CD1 4.05Å; F64-I69 HydrophobicContact CE1-CG2 4.15Å; F64-I69 HydrophobicContact CG-CD1 4.45Å; F64-I69 PolarHBondContact O-N 3.3Å; R67-I69 HydrophobicContact CB-CD1 3.86Å; R67-I69 HydrophobicContact CB-CG1 3.84Å; R67-I69 PolarHBondContact O-N 3.01Å
70	S	91.6	Very high	93.3	Very high	104 Å²	104	64.8 Å²	64.8	73%	0.727	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-72.7	138	-179.6	-73	0	0	0	0	111.9	G68	G68-S70 PolarHBondContact O-N 3.45Å
71	K	92.7	Very high	93	Very high	92 Å²	92	69.2 Å²	69.2	40%	0.4	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-72	137.1	177.9	-51.9	174.8	178	60.7	0	110.2	K37 Y38 I39 K144	K37-K71 HydrophobicContact CB-CB 3.81Å; K37-K71 HydrophobicContact CB-CD 4.23Å; K37-K71 HydrophobicContact CD-CB 4.47Å; Y38-K71 CarbonylContact O-C 3.52Å; Y38-K71 WeakPolarHBondContact O-CA 3.41Å; Y38-K71 WeakPolarHBondContact O-CB 3.11Å; I39-K71 HydrophobicContact CG1-CD 4.06Å; I39-K71 HydrophobicContact CG1-CG 4.32Å; K71-K144 HydrophobicContact CD-CB 4.46Å
72	K	91.8	Very high	92.8	Very high	118 Å²	118	67.7 Å²	67.7	51%	0.513	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.6	178.9	-59.5	-177.8	-177.8	-178.8	0	110	K37 Y38 V74	K37-K72 CarbonylContact C-O 3.56Å; K37-K72 WeakPolarHBondContact CA-O 3.45Å; Y38-K72 PolarHBondContact N-O 3.26Å; Y38-K72 PolarHBondContact O-N 3.22Å; K72-V74 HydrophobicContact CB-CG1 4.48Å
73	K	92	Very high	92.6	Very high	97 Å²	97	61.9 Å²	61.9	42%	0.422	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.1	173	-69.8	-171.7	176	-170.1	0	109.4	K37 Q88	K37-K73 HydrophobicContact CG-CG 4.48Å; K73-Q88 HydrophobicContact CB-CB 3.96Å; K73-Q88 HydrophobicContact CB-CG 4.4Å; K73-Q88 PolarHBondContact O-N 3.31Å
74	V	92.1	Very high	92.4	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.4	-175.1	-63.8	0	0	0	0	111.1	A36 K72 L76 V85 I86 V105 F143	A36-V74 HydrophobicContact CB-CG2 4.34Å; A36-V74 PolarHBondContact N-O 3.17Å; A36-V74 WeakPolarHBondContact O-CG2 3.42Å; A36-V74 PolarHBondContact O-N 3.39Å; K72-V74 HydrophobicContact CB-CG1 4.48Å; V74-L76 HydrophobicContact CG2-CD1 3.92Å; V74-V85 HydrophobicContact CB-CG1 3.86Å; V74-V85 HydrophobicContact CG1-CG1 3.99Å; V74-V85 HydrophobicContact CG2-CG1 4.1Å; V74-I86 CarbonylContact C-O 3.46Å; V74-I86 WeakPolarHBondContact CA-O 3.49Å; V74-I86 WeakPolarHBondContact CB-O 3.46Å; V74-V105 HydrophobicContact CG1-CG2 4.39Å; V74-F143 HydrophobicContact CG2-CD1 3.99Å; V74-F143 HydrophobicContact CG2-CE1 4.04Å
75	D	89.1	Confident	92.3	Very high	45 Å²	45	60.7 Å²	60.7	24%	0.241	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.6	164	-63.8	-48.2	0	0	0	108.6	F34 V85 I86 Q88	F34-D75 CarbonylContact O-C 3.59Å; F34-D75 WeakPolarHBondContact O-CA 3.24Å; D75-V85 WeakPolarHBondContact O-CA 3.36Å; D75-I86 PolarHBondContact N-O 3Å; D75-I86 PolarHBondContact O-N 2.93Å; D75-Q88 PolarHBondContact OD1-NE2 3.42Å; D75-Q88 WeakPolarHBondContact OD2-CG 3.4Å; D75-Q88 PolarHBondContact OD2-NE2 3.48Å
76	L	91.1	Very high	92	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.9	169	-57.3	80.2	0	0	0	108.7	H33 F34 A36 V74 I78 I83 K84 V85 F126 F143	H33-L76 CarbonylContact C-O 3.52Å; H33-L76 WeakPolarHBondContact CA-O 3.42Å; F34-L76 HydrophobicContact CB-CB 4.15Å; F34-L76 HydrophobicContact CB-CD1 4.41Å; F34-L76 PolarHBondContact N-O 2.97Å; F34-L76 PolarHBondContact O-N 3.25Å; A36-L76 HydrophobicContact CB-CD1 3.65Å; V74-L76 HydrophobicContact CG2-CD1 3.92Å; L76-I78 HydrophobicContact CB-CD1 4.41Å; L76-I78 HydrophobicContact CB-CG1 4.34Å; L76-I83 HydrophobicContact CD2-CG2 4.38Å; L76-K84 CarbonylContact C-O 3.54Å; L76-K84 VanDerWaalsContact CA-O 3.26Å; L76-K84 WeakPolarHBondContact CA-O 3.46Å; L76-V85 HydrophobicContact CD2-CG2 4.28Å; L76-V85 HydrophobicContact CG-CG1 4.48Å; L76-V85 HydrophobicContact CG-CG2 4.15Å; L76-F126 HydrophobicContact CD1-CZ 4.19Å; L76-F126 HydrophobicContact CD2-CE2 3.91Å; L76-F126 HydrophobicContact CD2-CZ 3.88Å; L76-F143 HydrophobicContact CD1-CD1 3.98Å; L76-F143 HydrophobicContact CD1-CE1 4.13Å; L76-F143 HydrophobicContact CD2-CD1 4.2Å; L76-F143 HydrophobicContact CD2-CD2 4.41Å; L76-F143 HydrophobicContact CD2-CE1 3.96Å; L76-F143 HydrophobicContact CD2-CE2 4.2Å; L76-F143 HydrophobicContact CD2-CG 4.43Å; L76-F143 HydrophobicContact CD2-CZ 3.98Å; L76-F143 HydrophobicContact CG-CE1 4.25Å
77	I	89.3	Confident	91.6	Very high	35 Å²	35	53.3 Å²	53.3	18%	0.179	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120	171.8	-49.8	178.3	0	0	0	106.7	I32 K84 I86	I32-I77 WeakPolarHBondContact O-CA 3.45Å; I77-K84 HydrophobicContact CB-CB 4.25Å; I77-K84 PolarHBondContact N-O 3.21Å; I77-K84 PolarHBondContact O-N 2.63Å; I77-I86 HydrophobicContact CD1-CD1 3.62Å; I77-I86 HydrophobicContact CG1-CD1 4.31Å
78	I	89.5	Confident	91	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	112.7	-172.5	-53.3	-178.5	0	0	0	108.8	F28 G31 I32 F34 L76 I83 L160	F28-I78 HydrophobicContact CE2-CG2 4.11Å; G31-I78 WeakPolarHBondContact CA-O 3.36Å; I32-I78 PolarHBondContact N-O 2.71Å; I32-I78 PolarHBondContact O-N 3.43Å; F34-I78 HydrophobicContact CD2-CD1 3.76Å; F34-I78 HydrophobicContact CD2-CG1 4.14Å; F34-I78 HydrophobicContact CE2-CB 4.37Å; F34-I78 HydrophobicContact CE2-CD1 3.72Å; F34-I78 HydrophobicContact CE2-CG1 4.19Å; F34-I78 HydrophobicContact CZ-CD1 4.47Å; L76-I78 HydrophobicContact CB-CD1 4.41Å; L76-I78 HydrophobicContact CB-CG1 4.34Å; I78-I83 HydrophobicContact CG1-CG1 4.29Å; I78-I83 HydrophobicContact CG1-CG2 4.25Å; I78-I83 HydrophobicContact CG2-CG1 4.11Å; I78-L160 HydrophobicContact CB-CD1 4.34Å; I78-L160 HydrophobicContact CB-CD2 4.06Å; I78-L160 HydrophobicContact CD1-CD1 3.39Å; I78-L160 HydrophobicContact CG1-CD1 4.41Å; I78-L160 HydrophobicContact CG2-CD1 4.06Å; I78-L160 HydrophobicContact CG2-CD2 3.44Å; I78-L160 VanDerWaalsContact CG2-CD2 3.44Å; I78-L160 HydrophobicContact CG2-CG 4.29Å
79	S	90	Very high	89.7	Confident	8 Å²	8	50.5 Å²	50.5	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	-177.4	-177.5	71.8	0	0	0	0	112.1	F28 D81 G82	F28-S79 WeakPolarHBondContact O-CA 3.22Å; F28-S79 WeakPolarHBondContact O-CB 3.02Å; S79-D81 PolarHBondContact O-N 3.44Å; S79-D81 WeakPolarHBondContact OG-CB 3.44Å; S79-D81 PolarHBondContact OG-N 3.17Å; S79-D81 VanDerWaalsContact OG-N 3.15Å; S79-G82 PolarHBondContact N-O 2.72Å; S79-G82 PolarHBondContact O-N 3.18Å; S79-G82 VanDerWaalsContact O-N 3.09Å
80	V	89	Confident	88	Confident	52 Å²	52	57.1 Å²	57.1	32%	0.315	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.7	169.1	-63.8	0	0	0	0	113.2	F28 Q29 I110 L167	F28-V80 HydrophobicContact CD1-CG1 3.95Å; F28-V80 HydrophobicContact CE1-CG1 3.87Å; F28-V80 PolarHBondContact O-N 3.21Å; Q29-V80 HydrophobicContact CG-CG1 4.45Å; V80-I110 WeakPolarHBondContact O-CB 3.13Å; V80-I110 VanDerWaalsContact O-CG2 3.29Å; V80-I110 WeakPolarHBondContact O-CG2 3.42Å; V80-L167 HydrophobicContact CG1-CD1 4.32Å
81	D	91.1	Very high	86.2	Confident	94 Å²	94	61 Å²	61	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-33	176.4	-58.9	-37.3	0	0	0	111.6	S79 F107 P109 I110	S79-D81 PolarHBondContact O-N 3.44Å; S79-D81 WeakPolarHBondContact OG-CB 3.44Å; S79-D81 PolarHBondContact OG-N 3.17Å; S79-D81 VanDerWaalsContact OG-N 3.15Å; D81-F107 HydrophobicContact CB-CZ 4.48Å; D81-P109 VanDerWaalsContact O-CA 3.32Å; D81-P109 WeakPolarHBondContact O-CA 3.33Å; D81-I110 PolarHBondContact O-N 2.83Å
82	G	92.2	Very high	84	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-152.9	-177.5	0	0	0	0	0	113.6	S79 H108	S79-G82 PolarHBondContact N-O 2.72Å; S79-G82 PolarHBondContact O-N 3.18Å; S79-G82 VanDerWaalsContact O-N 3.09Å; G82-H108 WeakPolarHBondContact CA-O 3.28Å
83	I	93.6	Very high	81.9	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.5	-179.9	-57.3	179.5	0	0	0	108.9	L76 I78 V85 F107 H108 I113 Y128	L76-I83 HydrophobicContact CD2-CG2 4.38Å; I78-I83 HydrophobicContact CG1-CG1 4.29Å; I78-I83 HydrophobicContact CG1-CG2 4.25Å; I78-I83 HydrophobicContact CG2-CG1 4.11Å; I83-V85 HydrophobicContact CG2-CG2 4.16Å; I83-F107 WeakPolarHBondContact O-CA 3.09Å; I83-H108 PolarHBondContact N-O 3.19Å; I83-H108 PolarHBondContact O-N 3.44Å; I83-I113 HydrophobicContact CB-CD1 4.36Å; I83-I113 HydrophobicContact CD1-CD1 3.78Å; I83-I113 HydrophobicContact CD1-CG1 4.09Å; I83-I113 HydrophobicContact CD1-CG2 4.36Å; I83-I113 HydrophobicContact CG1-CD1 4.03Å; I83-I113 HydrophobicContact CG1-CG1 4.25Å; I83-Y128 HydrophobicContact CD1-CD1 3.85Å; I83-Y128 HydrophobicContact CD1-CD2 4.02Å; I83-Y128 HydrophobicContact CD1-CE1 4.24Å; I83-Y128 HydrophobicContact CD1-CE2 4.4Å; I83-Y128 HydrophobicContact CD1-CG 3.72Å; I83-Y128 HydrophobicContact CG2-CD1 4.37Å; I83-Y128 HydrophobicContact CG2-CE1 3.81Å
84	K	92.8	Very high	79.9	Confident	72 Å²	72	74 Å²	74	31%	0.313	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133	168.6	-64.5	174.4	-178	177.9	0	108.8	L76 I77 F107	L76-K84 CarbonylContact C-O 3.54Å; L76-K84 VanDerWaalsContact CA-O 3.26Å; L76-K84 WeakPolarHBondContact CA-O 3.46Å; I77-K84 HydrophobicContact CB-CB 4.25Å; I77-K84 PolarHBondContact N-O 3.21Å; I77-K84 PolarHBondContact O-N 2.63Å; K84-F107 HydrophobicContact CB-CD2 4.35Å; K84-F107 HydrophobicContact CD-CD2 4.45Å; K84-F107 HydrophobicContact CG-CD2 3.36Å; K84-F107 HydrophobicContact CG-CE2 3.81Å; K84-F107 HydrophobicContact CG-CG 4.29Å
85	V	93.4	Very high	77.9	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.7	173.8	-175	0	0	0	0	108.1	V74 D75 L76 I83 V105 M106 Y128 F143	V74-V85 HydrophobicContact CB-CG1 3.86Å; V74-V85 HydrophobicContact CG1-CG1 3.99Å; V74-V85 HydrophobicContact CG2-CG1 4.1Å; D75-V85 WeakPolarHBondContact O-CA 3.36Å; L76-V85 HydrophobicContact CD2-CG2 4.28Å; L76-V85 HydrophobicContact CG-CG1 4.48Å; L76-V85 HydrophobicContact CG-CG2 4.15Å; I83-V85 HydrophobicContact CG2-CG2 4.16Å; V85-V105 HydrophobicContact CB-CB 4.34Å; V85-V105 HydrophobicContact CG1-CB 4.17Å; V85-V105 HydrophobicContact CG1-CG2 4.37Å; V85-V105 WeakPolarHBondContact O-CB 3.31Å; V85-V105 PolarHBondContact O-N 3.38Å; V85-M106 HydrophobicContact CB-CG 3.56Å; V85-M106 HydrophobicContact CB-SD 4.41Å; V85-M106 HydrophobicContact CG1-CG 4.39Å; V85-M106 HydrophobicContact CG2-CG 3.57Å; V85-M106 HydrophobicContact CG2-SD 4.03Å; V85-M106 PolarHBondContact N-O 2.84Å; V85-M106 PolarHBondContact O-N 3.19Å; V85-Y128 HydrophobicContact CG2-CE1 4.45Å; V85-F143 HydrophobicContact CG1-CE1 3.99Å; V85-F143 HydrophobicContact CG1-CZ 4.43Å; V85-F143 HydrophobicContact CG2-CE1 4.37Å; V85-F143 HydrophobicContact CG2-CZ 4.06Å
86	I	90.9	Very high	76.2	Confident	35 Å²	35	85.2 Å²	85.2	18%	0.179	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	-171.7	-54.9	177	0	0	0	108.6	V74 D75 I77 C103	V74-I86 CarbonylContact C-O 3.46Å; V74-I86 WeakPolarHBondContact CA-O 3.49Å; V74-I86 WeakPolarHBondContact CB-O 3.46Å; D75-I86 PolarHBondContact N-O 3Å; D75-I86 PolarHBondContact O-N 2.93Å; I77-I86 HydrophobicContact CD1-CD1 3.62Å; I77-I86 HydrophobicContact CG1-CD1 4.31Å; I86-C103 CarbonylContact C-O 3.53Å; I86-C103 WeakPolarHBondContact CA-O 2.77Å; I86-C103 HydrophobicContact CG2-CB 3.52Å
87	M	88.8	Confident	74.2	Confident	62 Å²	62	89.5 Å²	89.5	31%	0.305	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.8	174.6	-99.5	176.1	-43.5	0	0	110.2	N89 C103 V105	M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 2.8Å; M87-C103 PolarHBondContact N-O 3.13Å; M87-V105 HydrophobicContact CB-CG2 3.99Å; M87-V105 HydrophobicContact CE-CG2 4.32Å; M87-V105 HydrophobicContact CG-CG2 3.47Å; M87-V105 VanDerWaalsContact CG-CG2 3.47Å; M87-V105 HydrophobicContact SD-CG2 4.29Å
88	Q	84.5	Confident	72.3	Confident	60 Å²	60	98.9 Å²	98.9	28%	0.28	48%	0.483	S	S	.	.			trans	-74.5	86.7	166.4	-70.6	-176.1	-4	0	0	108.5	K73 D75 R90	K73-Q88 HydrophobicContact CB-CB 3.96Å; K73-Q88 HydrophobicContact CB-CG 4.4Å; K73-Q88 PolarHBondContact O-N 3.31Å; D75-Q88 PolarHBondContact OD1-NE2 3.42Å; D75-Q88 WeakPolarHBondContact OD2-CG 3.4Å; D75-Q88 PolarHBondContact OD2-NE2 3.48Å; Q88-R90 PolarHBondContact O-N 2.81Å
89	N	66.8	Low	70.4	Confident	104 Å²	104	102.6 Å²	102.6	56%	0.556	50%	0.503	S	S	*	.			trans	-65	133.9	-178.9	-109.7	-13.2	0	0	0	111.1	M87 K91 C103	M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 2.8Å; N89-K91 PolarHBondContact O-N 3.12Å; N89-C103 PolarHBondContact ND2-SG 2.9Å
90	R	55	Low	68.6	Low	213 Å²	213	109.4 Å²	109.4	80%	0.804	53%	0.534	S	S	*	.	S	Bend	trans	-85.8	7.7	-176.1	-78.7	-163.7	178.1	-163.5	3.1	115.1	Q88	Q88-R90 PolarHBondContact O-N 2.81Å
91	K	54.5	Low	66.8	Low	184 Å²	184	111.3 Å²	111.3	80%	0.8	55%	0.55	S	S	*	.			trans	-143.8	109.7	-177.1	-65.8	-174	177.9	179.7	0	111.1	N89 K93	N89-K91 PolarHBondContact O-N 3.12Å; K91-K93 PolarHBondContact O-N 2.92Å
92	K	47	Very low	64.9	Low	200 Å²	200	113.6 Å²	113.6	87%	0.87	56%	0.557	S	S	*	*			trans	-55	107.7	159.2	-81.2	-179.2	173.8	178.8	0	107.2
93	K	48.2	Very low	63.4	Low	194 Å²	194	114.8 Å²	114.8	84%	0.843	57%	0.565	S	S	*	*			trans	-77.4	136.5	161.3	-119.6	-178.4	179.8	-179.8	0	107.4	K91 K95	K91-K93 PolarHBondContact O-N 2.92Å; K93-K95 PolarHBondContact O-N 3.15Å
94	H	48.8	Very low	61.8	Low	187 Å²	187	118.5 Å²	118.5	87%	0.866	59%	0.585	S	S	*	*	S	Bend	trans	-69.7	90	-171.2	-174.3	-84	0	0	0	111.5
95	K	50.2	Low	61.1	Low	187 Å²	187	117.3 Å²	117.3	81%	0.813	58%	0.583	S	S	*	*	S	Bend	trans	172.8	112.9	156.5	-99.9	171.3	-178.1	-172.1	0	106.6	K93 A97	K93-K95 PolarHBondContact O-N 3.15Å; K95-A97 PolarHBondContact O-N 2.87Å
96	G	53.6	Low	60.9	Low	95 Å²	95	118.8 Å²	118.8	98%	0.979	59%	0.59	S	S	*	*	S	Bend	trans	-63.3	39.2	-164.3	0	0	0	0	0	119.4
97	A	48.4	Very low	61	Low	89 Å²	89	121.1 Å²	121.1	74%	0.736	60%	0.6	S	S	*	*			trans	-111.6	122.9	168.9	0	0	0	0	0	109.1	K95 D99	K95-A97 PolarHBondContact O-N 2.87Å; A97-D99 PolarHBondContact O-N 2.73Å
98	W	49.9	Very low	61.2	Low	232 Å²	232	119.7 Å²	119.7	88%	0.879	59%	0.592	S	S	*	*			trans	-74.2	117.5	171.2	-55	96.6	0	0	0	108.1
99	D	50.6	Low	61.6	Low	85 Å²	85	117.9 Å²	117.9	46%	0.455	59%	0.585	S	S	.	*			trans	-89.4	101.8	163.8	-169.8	-6.7	0	0	0	108.1	A97 S101 E102	A97-D99 PolarHBondContact O-N 2.73Å; D99-S101 PolarHBondContact O-N 2.86Å; D99-S101 WeakPolarHBondContact OD1-CB 3.4Å; D99-S101 PolarHBondContact OD1-N 2.81Å; D99-S101 PolarHBondContact OD1-OG 2.79Å; D99-E102 HydrophobicContact CB-CB 4.44Å; D99-E102 HydrophobicContact CB-CG 4.24Å; D99-E102 PolarHBondContact O-N 2.83Å
100	E	51.8	Low	62.7	Low	151 Å²	151	114.3 Å²	114.3	71%	0.706	57%	0.566	S	S	*	*	H	α-helix	trans	-58.2	-25.7	176.5	-68.9	-175.3	167.9	0	0	112.1	L104	E100-L104 PolarHBondContact O-N 3.18Å
101	S	51.2	Low	64.4	Low	92 Å²	92	111.8 Å²	111.8	64%	0.643	56%	0.558	S	S	*	*	H	α-helix	trans	-73.4	-36.9	-176.7	-40.6	0	0	0	0	112.3	D99 C103 L104	D99-S101 PolarHBondContact O-N 2.86Å; D99-S101 WeakPolarHBondContact OD1-CB 3.4Å; D99-S101 PolarHBondContact OD1-N 2.81Å; D99-S101 PolarHBondContact OD1-OG 2.79Å; S101-C103 PolarHBondContact O-N 3.37Å; S101-L104 PolarHBondContact O-N 3.29Å
102	E	50.3	Low	66.2	Low	142 Å²	142	107.3 Å²	107.3	66%	0.664	54%	0.536	S	S	*	.	H	α-helix	trans	-70.6	-16.8	-178.4	-75.4	-167.5	162.4	0	0	113.3	D99	D99-E102 HydrophobicContact CB-CB 4.44Å; D99-E102 HydrophobicContact CB-CG 4.24Å; D99-E102 PolarHBondContact O-N 2.83Å
103	C	61.8	Low	68.3	Low	25 Å²	25	97.9 Å²	97.9	17%	0.169	50%	0.495	C	S	.	.	H	α-helix	trans	-106.8	-9.5	-179.6	-64.5	0	0	0	0	113.3	I86 M87 N89 S101 V105	I86-C103 CarbonylContact C-O 3.53Å; I86-C103 WeakPolarHBondContact CA-O 2.77Å; I86-C103 HydrophobicContact CG2-CB 3.52Å; M87-C103 PolarHBondContact N-O 3.13Å; N89-C103 PolarHBondContact ND2-SG 2.9Å; S101-C103 PolarHBondContact O-N 3.37Å; C103-V105 PolarHBondContact O-N 3.17Å; C103-V105 VanDerWaalsContact O-N 3.15Å
104	L	60.1	Low	70.4	Confident	80 Å²	80	91.2 Å²	91.2	42%	0.419	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	114.5	-179.5	-167	97.1	0	0	0	110.5	E100 S101 F107	E100-L104 PolarHBondContact O-N 3.18Å; S101-L104 PolarHBondContact O-N 3.29Å; L104-F107 HydrophobicContact CD1-CB 4.41Å; L104-F107 HydrophobicContact CD2-CB 4.12Å
105	V	77.2	Confident	72.5	Confident	46 Å²	46	85.5 Å²	85.5	28%	0.279	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-41.9	174.9	-171.1	0	0	0	0	110.4	V74 V85 M87 C103	V74-V105 HydrophobicContact CG1-CG2 4.39Å; V85-V105 HydrophobicContact CB-CB 4.34Å; V85-V105 HydrophobicContact CG1-CB 4.17Å; V85-V105 HydrophobicContact CG1-CG2 4.37Å; V85-V105 WeakPolarHBondContact O-CB 3.31Å; V85-V105 PolarHBondContact O-N 3.38Å; M87-V105 HydrophobicContact CB-CG2 3.99Å; M87-V105 HydrophobicContact CE-CG2 4.32Å; M87-V105 HydrophobicContact CG-CG2 3.47Å; M87-V105 VanDerWaalsContact CG-CG2 3.47Å; M87-V105 HydrophobicContact SD-CG2 4.29Å; C103-V105 PolarHBondContact O-N 3.17Å; C103-V105 VanDerWaalsContact O-N 3.15Å
106	M	89.4	Confident	74.6	Confident	31 Å²	31	77.2 Å²	77.2	15%	0.153	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	147.2	-178.2	52.4	-172.1	79.6	0	0	110.3	Y38 V85 Y128	Y38-M106 HydrophobicContact CE1-CE 4.22Å; Y38-M106 HydrophobicContact CE2-CE 4.18Å; V85-M106 HydrophobicContact CB-CG 3.56Å; V85-M106 HydrophobicContact CB-SD 4.41Å; V85-M106 HydrophobicContact CG1-CG 4.39Å; V85-M106 HydrophobicContact CG2-CG 3.57Å; V85-M106 HydrophobicContact CG2-SD 4.03Å; V85-M106 PolarHBondContact N-O 2.84Å; V85-M106 PolarHBondContact O-N 3.19Å; M106-Y128 PolarHBondContact SD-OH 3.18Å
107	F	92.6	Very high	76.4	Confident	85 Å²	85	73.1 Å²	73.1	37%	0.373	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128	168	173.5	-120.5	0	0	0	109.4	D81 I83 K84 L104 P109	D81-F107 HydrophobicContact CB-CZ 4.48Å; I83-F107 WeakPolarHBondContact O-CA 3.09Å; K84-F107 HydrophobicContact CB-CD2 4.35Å; K84-F107 HydrophobicContact CD-CD2 4.45Å; K84-F107 HydrophobicContact CG-CD2 3.36Å; K84-F107 HydrophobicContact CG-CE2 3.81Å; K84-F107 HydrophobicContact CG-CG 4.29Å; L104-F107 HydrophobicContact CD1-CB 4.41Å; L104-F107 HydrophobicContact CD2-CB 4.12Å; F107-P109 HydrophobicContact CD1-CG 4.47Å; F107-P109 HydrophobicContact CE1-CG 3.9Å; F107-P109 HydrophobicContact CZ-CG 4.31Å
108	H	92.9	Very high	78.5	Confident	31 Å²	31	71.4 Å²	71.4	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.3	174.6	-63.4	99.7	0	0	0	109.1	G82 I83 I113 Y128 A130	G82-H108 WeakPolarHBondContact CA-O 3.28Å; I83-H108 PolarHBondContact N-O 3.19Å; I83-H108 PolarHBondContact O-N 3.44Å; H108-I113 HydrophobicContact CB-CD1 3.49Å; H108-I113 VanDerWaalsContact CB-CD1 3.49Å; H108-Y128 HydrophobicContact CB-CE2 4.46Å; H108-Y128 PolarHBondContact CE1-OH 3.28Å; H108-Y128 AromaticContact ND1-CE2 3.54Å; H108-Y128 AromaticContact ND1-CZ 3.69Å; H108-Y128 PolarHBondContact ND1-OH 2.85Å; H108-A130 HydrophobicContact CB-CB 4.15Å; H108-A130 WeakPolarHBondContact CD2-CB 3.44Å
109	P	92.8	Very high	80.5	Confident	22 Å²	22	60.4 Å²	60.4	14%	0.143	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	151.1	175.3	-26	34.1	0	0	0	112.4	D81 F107 Y111 R112 I113	D81-P109 VanDerWaalsContact O-CA 3.32Å; D81-P109 WeakPolarHBondContact O-CA 3.33Å; F107-P109 HydrophobicContact CD1-CG 4.47Å; F107-P109 HydrophobicContact CE1-CG 3.9Å; F107-P109 HydrophobicContact CZ-CG 4.31Å; P109-Y111 HydrophobicContact CB-CD1 3.63Å; P109-Y111 HydrophobicContact CB-CE1 3.21Å; P109-Y111 HydrophobicContact CB-CG 4.43Å; P109-Y111 HydrophobicContact CG-CE1 3.91Å; P109-Y111 PolarHBondContact O-N 2.83Å; P109-Y111 VanDerWaalsContact O-N 3.13Å; P109-R112 WeakPolarHBondContact O-CB 3.3Å; P109-R112 PolarHBondContact O-N 3.31Å; P109-I113 PolarHBondContact O-N 3.03Å
110	I	90.3	Very high	82.2	Confident	29 Å²	29	60.6 Å²	60.6	15%	0.149	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-52.4	-40.5	-175.2	-164.3	66.1	0	0	0	113.4	F28 V80 D81 R112 I113 I164 L167	F28-I110 HydrophobicContact CZ-CD1 4.43Å; V80-I110 WeakPolarHBondContact O-CB 3.13Å; V80-I110 VanDerWaalsContact O-CG2 3.29Å; V80-I110 WeakPolarHBondContact O-CG2 3.42Å; D81-I110 PolarHBondContact O-N 2.83Å; I110-R112 PolarHBondContact O-N 3.24Å; I110-I113 PolarHBondContact O-N 3.31Å; I110-I164 HydrophobicContact CD1-CB 4.34Å; I110-I164 HydrophobicContact CD1-CG1 3.65Å; I110-I164 HydrophobicContact CD1-CG2 4.24Å; I110-L167 HydrophobicContact CD1-CD1 4.27Å; I110-L167 HydrophobicContact CG1-CD1 3.83Å
111	Y	90.1	Very high	84	Confident	161 Å²	161	60.1 Å²	60.1	63%	0.631	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.3	-16.7	-179.1	66.4	-97.6	0	0	0	113.5	P109	P109-Y111 HydrophobicContact CB-CD1 3.63Å; P109-Y111 HydrophobicContact CB-CE1 3.21Å; P109-Y111 HydrophobicContact CB-CG 4.43Å; P109-Y111 HydrophobicContact CG-CE1 3.91Å; P109-Y111 PolarHBondContact O-N 2.83Å; P109-Y111 VanDerWaalsContact O-N 3.13Å
112	R	92.4	Very high	85.9	Confident	90 Å²	90	57.8 Å²	57.8	34%	0.34	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-92.1	-17.6	175.9	-62.3	-162.3	-177.2	-177.9	-3.9	113.3	P109 I110 F114 A130 R131	P109-R112 WeakPolarHBondContact O-CB 3.3Å; P109-R112 PolarHBondContact O-N 3.31Å; I110-R112 PolarHBondContact O-N 3.24Å; R112-F114 PolarHBondContact O-N 3.39Å; R112-A130 CarbonylContact O-C 3.53Å; R112-A130 WeakPolarHBondContact O-CA 3.28Å; R112-R131 PolarHBondContact O-N 3.23Å
113	I	92.6	Very high	87.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.3	176.8	-52.9	-53.5	0	0	0	107.3	I83 H108 P109 I110 V116 Y128 I129 A130 I164 K168	I83-I113 HydrophobicContact CB-CD1 4.36Å; I83-I113 HydrophobicContact CD1-CD1 3.78Å; I83-I113 HydrophobicContact CD1-CG1 4.09Å; I83-I113 HydrophobicContact CD1-CG2 4.36Å; I83-I113 HydrophobicContact CG1-CD1 4.03Å; I83-I113 HydrophobicContact CG1-CG1 4.25Å; H108-I113 HydrophobicContact CB-CD1 3.49Å; H108-I113 VanDerWaalsContact CB-CD1 3.49Å; P109-I113 PolarHBondContact O-N 3.03Å; I110-I113 PolarHBondContact O-N 3.31Å; I113-V116 HydrophobicContact CG2-CG2 4.02Å; I113-Y128 HydrophobicContact CD1-CD2 3.96Å; I113-Y128 HydrophobicContact CD1-CE2 4.1Å; I113-I129 CarbonylContact C-O 3.53Å; I113-A130 HydrophobicContact CD1-CB 4.37Å; I113-I164 HydrophobicContact CB-CG2 4.36Å; I113-I164 HydrophobicContact CG2-CD1 4.29Å; I113-I164 HydrophobicContact CG2-CG2 4.31Å; I113-K168 WeakPolarHBondContact O-CE 3.46Å; I113-K168 PolarHBondContact O-NZ 3.43Å
114	F	92.1	Very high	88.9	Confident	54 Å²	54	54.4 Å²	54.4	24%	0.237	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-48.8	179.9	172.2	-99	0	0	0	111.4	P47 R112 I129 F138 K168	P47-F114 HydrophobicContact CG-CD1 4.05Å; P47-F114 HydrophobicContact CG-CE1 3.36Å; P47-F114 HydrophobicContact CG-CZ 3.96Å; R112-F114 PolarHBondContact O-N 3.39Å; F114-I129 HydrophobicContact CB-CB 4.31Å; F114-I129 HydrophobicContact CB-CG2 4.12Å; F114-I129 HydrophobicContact CD1-CB 4.18Å; F114-I129 HydrophobicContact CD1-CD1 4.41Å; F114-I129 HydrophobicContact CD1-CG2 4.08Å; F114-I129 HydrophobicContact CG-CG2 4.49Å; F114-I129 PolarHBondContact N-O 2.99Å; F114-F138 HydrophobicContact CB-CD1 3.87Å; F114-F138 HydrophobicContact CB-CE1 3.77Å; F114-F138 HydrophobicContact CD1-CD1 4.25Å; F114-F138 HydrophobicContact CD1-CE1 4.3Å; F114-F138 HydrophobicContact CD2-CD1 4.26Å; F114-F138 AromaticContact CD2-CE1 3.52Å; F114-F138 HydrophobicContact CD2-CE1 3.52Å; F114-F138 HydrophobicContact CD2-CZ 4.35Å; F114-F138 HydrophobicContact CE2-CE1 4.18Å; F114-F138 AromaticContact CG-CD1 3.85Å; F114-F138 HydrophobicContact CG-CD1 3.85Å; F114-F138 AromaticContact CG-CE1 3.57Å; F114-F138 HydrophobicContact CG-CE1 3.57Å; F114-K168 PolarHBondContact O-NZ 3.38Å
115	Y	92.5	Very high	90.5	Very high	68 Å²	68	50.7 Å²	50.7	27%	0.267	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152	-175.5	-161.4	-100.5	0	0	0	110.7	I53 Y128 I129	I53-Y115 HydrophobicContact CD1-CD1 3.62Å; I53-Y115 HydrophobicContact CD1-CD2 4.3Å; I53-Y115 HydrophobicContact CD1-CE1 3.86Å; I53-Y115 HydrophobicContact CD1-CG 3.85Å; I53-Y115 HydrophobicContact CG2-CD1 4.09Å; I53-Y115 HydrophobicContact CG2-CE1 4.33Å; Y115-Y128 CarbonylContact O-C 3.33Å; Y115-Y128 VanDerWaalsContact O-CA 3.28Å; Y115-Y128 WeakPolarHBondContact O-CA 3.22Å; Y115-I129 PolarHBondContact N-O 2.98Å; Y115-I129 PolarHBondContact O-N 2.94Å
116	V	93.2	Very high	91.3	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.2	170.5	-170.6	0	0	0	0	107.7	I113 S127 V157 I164	I113-V116 HydrophobicContact CG2-CG2 4.02Å; V116-S127 WeakPolarHBondContact CA-O 3.48Å; V116-V157 HydrophobicContact CG1-CG1 3.95Å; V116-I164 HydrophobicContact CG2-CD1 3.56Å
117	S	91.9	Very high	91.6	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.063	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.1	-172.4	40.5	0	0	0	0	112.9	I53 M57 F126 S127	I53-S117 WeakPolarHBondContact CG2-OG 3.07Å; M57-S117 VanDerWaalsContact CE-OG 3.28Å; M57-S117 WeakPolarHBondContact CE-OG 3.5Å; S117-F126 CarbonylContact O-C 3.54Å; S117-F126 VanDerWaalsContact O-CA 3.3Å; S117-F126 WeakPolarHBondContact O-CA 3.08Å; S117-S127 PolarHBondContact N-O 3.04Å; S117-S127 PolarHBondContact O-N 3.39Å; S117-S127 PolarHBondContact OG-OG 3.4Å
118	H	91.9	Very high	91.7	Very high	53 Å²	53	43.5 Å²	43.5	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	157.7	168.7	62	-90.1	0	0	0	110.7	I125 V157	H118-I125 WeakPolarHBondContact CA-O 3.34Å; H118-V157 HydrophobicContact CB-CG1 4.39Å
119	D	92.1	Very high	91.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.7	174.1	-169.3	-10.2	0	0	0	109.3	M57 R58 R61 Q121 D122 I125	M57-D119 HydrophobicContact SD-CB 3.81Å; R58-D119 IonicContact CZ-OD1 3.06Å; R58-D119 IonicContact NE-OD1 2.9Å; R58-D119 PolarHBondContact NE-OD1 2.92Å; R58-D119 IonicContact NE-OD2 2.85Å; R58-D119 PolarHBondContact NE-OD2 3.19Å; R58-D119 IonicContact NH2-OD1 3.92Å; R58-D119 PolarHBondContact NH2-OD1 2.99Å; R61-D119 IonicContact CZ-OD2 3.25Å; R61-D119 VanDerWaalsContact CZ-OD2 3.27Å; R61-D119 IonicContact NH1-OD2 3.47Å; R61-D119 PolarHBondContact NH1-OD2 3.39Å; R61-D119 IonicContact NH2-OD2 3.62Å; R61-D119 PolarHBondContact NH2-OD2 2.97Å; D119-Q121 PolarHBondContact O-N 3.22Å; D119-Q121 PolarHBondContact OD1-N 3.42Å; D119-D122 HydrophobicContact CB-CB 4.35Å; D119-D122 CarbonylContact O-C 3.58Å; D119-D122 PolarHBondContact O-N 3.47Å; D119-D122 VanDerWaalsContact O-N 3.11Å; D119-I125 HydrophobicContact CB-CB 4.09Å; D119-I125 HydrophobicContact CB-CG2 4.4Å; D119-I125 PolarHBondContact N-O 3.43Å; D119-I125 VanDerWaalsContact N-O 3.09Å
120	S	87.3	Confident	92	Very high	89 Å²	89	41 Å²	41	62%	0.622	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.9	177.9	57.6	0	0	0	0	113.6
121	Q	90.1	Very high	92.1	Very high	141 Å²	141	45.5 Å²	45.5	66%	0.659	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-14	176.4	-66.2	178.7	4	0	0	113.3	R58 D119	R58-Q121 VanDerWaalsContact NH2-CG 3.33Å; D119-Q121 PolarHBondContact O-N 3.22Å; D119-Q121 PolarHBondContact OD1-N 3.42Å
122	D	89.6	Confident	92	Very high	42 Å²	42	40.8 Å²	40.8	23%	0.225	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	85.8	179.3	-172.7	-7.6	0	0	0	108.7	R61 D119 Q124 I125	R61-D122 VanDerWaalsContact NH1-CB 3.28Å; R61-D122 IonicContact NH1-OD2 2.69Å; R61-D122 PolarHBondContact NH1-OD2 2.95Å; D119-D122 HydrophobicContact CB-CB 4.35Å; D119-D122 CarbonylContact O-C 3.58Å; D119-D122 PolarHBondContact O-N 3.47Å; D119-D122 VanDerWaalsContact O-N 3.11Å; D122-Q124 PolarHBondContact O-N 2.9Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.06Å; D122-Q124 PolarHBondContact OD1-N 3.22Å; D122-I125 HydrophobicContact CB-CG1 3.9Å; D122-I125 VanDerWaalsContact CG-CG1 3.41Å; D122-I125 WeakPolarHBondContact O-CB 3.08Å; D122-I125 PolarHBondContact O-N 2.96Å; D122-I125 WeakPolarHBondContact OD2-CG1 3.49Å
123	L	86.4	Confident	91.1	Very high	65 Å²	65	38.8 Å²	38.8	34%	0.34	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	2.4	-176.4	-56.2	-177.6	0	0	0	114.1	L153 V154	L123-L153 VanDerWaalsContact O-CD2 3.23Å; L123-L153 WeakPolarHBondContact O-CD2 3.26Å; L123-V154 HydrophobicContact CB-CG2 4.29Å; L123-V154 HydrophobicContact CD2-CG2 3.93Å; L123-V154 HydrophobicContact CG-CG2 4.49Å
124	Q	90.1	Very high	90.5	Very high	31 Å²	31	44.5 Å²	44.5	15%	0.145	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-10.7	170.3	-62.4	176.9	-6	0	0	112.4	D122 K144 C145	D122-Q124 PolarHBondContact O-N 2.9Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.06Å; D122-Q124 PolarHBondContact OD1-N 3.22Å; Q124-K144 HydrophobicContact CB-CG 4.36Å; Q124-K144 CarbonylContact O-C 3.55Å; Q124-K144 WeakPolarHBondContact O-CA 3.31Å; Q124-C145 PolarHBondContact O-N 3.45Å
125	I	93	Very high	89.8	Confident	3 Å²	3	47 Å²	47	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.7	-175.1	-55.4	-65.8	0	0	0	109.1	I39 M57 H118 D119 D122 V142 F143 K144	I39-I125 HydrophobicContact CD1-CD1 3.69Å; M57-I125 HydrophobicContact CG-CG2 4.1Å; M57-I125 HydrophobicContact SD-CG2 3.76Å; H118-I125 WeakPolarHBondContact CA-O 3.34Å; D119-I125 HydrophobicContact CB-CB 4.09Å; D119-I125 HydrophobicContact CB-CG2 4.4Å; D119-I125 PolarHBondContact N-O 3.43Å; D119-I125 VanDerWaalsContact N-O 3.09Å; D122-I125 HydrophobicContact CB-CG1 3.9Å; D122-I125 VanDerWaalsContact CG-CG1 3.41Å; D122-I125 WeakPolarHBondContact O-CB 3.08Å; D122-I125 PolarHBondContact O-N 2.96Å; D122-I125 WeakPolarHBondContact OD2-CG1 3.49Å; I125-V142 HydrophobicContact CG2-CG1 3.76Å; I125-F143 WeakPolarHBondContact CA-O 3.47Å; I125-K144 HydrophobicContact CD1-CB 3.84Å; I125-K144 HydrophobicContact CD1-CD 4.13Å; I125-K144 HydrophobicContact CD1-CG 4.04Å
126	F	94	Very high	89.3	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.9	170.5	76.7	-80.2	0	0	0	110	A36 L76 S117 F143 C145 L153 V157	A36-F126 HydrophobicContact CB-CE1 3.96Å; A36-F126 HydrophobicContact CB-CZ 4.17Å; L76-F126 HydrophobicContact CD1-CZ 4.19Å; L76-F126 HydrophobicContact CD2-CE2 3.91Å; L76-F126 HydrophobicContact CD2-CZ 3.88Å; S117-F126 CarbonylContact O-C 3.54Å; S117-F126 VanDerWaalsContact O-CA 3.3Å; S117-F126 WeakPolarHBondContact O-CA 3.08Å; F126-F143 HydrophobicContact CD1-CB 3.79Å; F126-F143 HydrophobicContact CD2-CB 4.44Å; F126-F143 HydrophobicContact CD2-CD2 4.4Å; F126-F143 HydrophobicContact CE1-CB 3.27Å; F126-F143 HydrophobicContact CE1-CG 4.13Å; F126-F143 HydrophobicContact CE2-CB 3.98Å; F126-F143 AromaticContact CE2-CD2 3.86Å; F126-F143 HydrophobicContact CE2-CD2 3.86Å; F126-F143 HydrophobicContact CE2-CG 4.06Å; F126-F143 HydrophobicContact CG-CB 4.37Å; F126-F143 HydrophobicContact CZ-CB 3.39Å; F126-F143 HydrophobicContact CZ-CD1 4.44Å; F126-F143 HydrophobicContact CZ-CD2 4.02Å; F126-F143 AromaticContact CZ-CG 3.72Å; F126-F143 HydrophobicContact CZ-CG 3.72Å; F126-F143 PolarHBondContact N-O 3.47Å; F126-F143 PolarHBondContact O-N 2.92Å; F126-C145 WeakPolarHBondContact CE1-SG 3.25Å; F126-L153 HydrophobicContact CB-CD1 4.45Å; F126-L153 HydrophobicContact CB-CD2 4.33Å; F126-L153 HydrophobicContact CD1-CD1 3.78Å; F126-L153 HydrophobicContact CD1-CD2 3.99Å; F126-L153 HydrophobicContact CD1-CG 4.42Å; F126-L153 HydrophobicContact CE1-CD1 4.2Å; F126-L153 HydrophobicContact CG-CD1 4.16Å; F126-V157 HydrophobicContact CB-CG2 3.79Å; F126-V157 HydrophobicContact CD2-CG2 4.31Å; F126-V157 HydrophobicContact CG-CG2 4.16Å
127	S	95.4	Very high	89.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	159.7	173.9	67.5	0	0	0	0	111.1	M57 V116 S117 N141	M57-S127 WeakPolarHBondContact CE-OG 3.44Å; V116-S127 WeakPolarHBondContact CA-O 3.48Å; S117-S127 PolarHBondContact N-O 3.04Å; S117-S127 PolarHBondContact O-N 3.39Å; S117-S127 PolarHBondContact OG-OG 3.4Å; S127-N141 WeakPolarHBondContact CA-O 3.33Å; S127-N141 WeakPolarHBondContact CB-O 3.2Å
128	Y	96	Very high	89.3	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.2	159.5	70.5	-92.3	0	0	0	109.1	I83 V85 M106 H108 I113 Y115 A130 N141 F143	I83-Y128 HydrophobicContact CD1-CD1 3.85Å; I83-Y128 HydrophobicContact CD1-CD2 4.02Å; I83-Y128 HydrophobicContact CD1-CE1 4.24Å; I83-Y128 HydrophobicContact CD1-CE2 4.4Å; I83-Y128 HydrophobicContact CD1-CG 3.72Å; I83-Y128 HydrophobicContact CG2-CD1 4.37Å; I83-Y128 HydrophobicContact CG2-CE1 3.81Å; V85-Y128 HydrophobicContact CG2-CE1 4.45Å; M106-Y128 PolarHBondContact SD-OH 3.18Å; H108-Y128 HydrophobicContact CB-CE2 4.46Å; H108-Y128 PolarHBondContact CE1-OH 3.28Å; H108-Y128 AromaticContact ND1-CE2 3.54Å; H108-Y128 AromaticContact ND1-CZ 3.69Å; H108-Y128 PolarHBondContact ND1-OH 2.85Å; I113-Y128 HydrophobicContact CD1-CD2 3.96Å; I113-Y128 HydrophobicContact CD1-CE2 4.1Å; Y115-Y128 CarbonylContact O-C 3.33Å; Y115-Y128 VanDerWaalsContact O-CA 3.28Å; Y115-Y128 WeakPolarHBondContact O-CA 3.22Å; Y128-A130 HydrophobicContact CD2-CB 4.31Å; Y128-A130 HydrophobicContact CE2-CB 4.07Å; Y128-N141 HydrophobicContact CD1-CB 4.3Å; Y128-N141 HydrophobicContact CE1-CB 3.93Å; Y128-N141 HydrophobicContact CE2-CB 4.27Å; Y128-N141 WeakPolarHBondContact CE2-ND2 3.23Å; Y128-N141 PolarHBondContact N-O 3.31Å; Y128-N141 VanDerWaalsContact N-O 3.15Å; Y128-N141 PolarHBondContact O-N 3.18Å; Y128-F143 AromaticContact CD1-CE2 3.77Å; Y128-F143 HydrophobicContact CD1-CE2 3.77Å; Y128-F143 AromaticContact CE1-CE2 3.47Å; Y128-F143 HydrophobicContact CE1-CE2 3.47Å; Y128-F143 VanDerWaalsContact CE1-CE2 3.47Å; Y128-F143 AromaticContact CE1-CZ 3.77Å; Y128-F143 HydrophobicContact CE1-CZ 3.77Å
129	I	95.5	Very high	89.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.8	173.8	-57.8	179.2	0	0	0	107	M44 P47 I53 I113 F114 Y115 F138 K139 C140	M44-I129 HydrophobicContact SD-CD1 4.14Å; P47-I129 HydrophobicContact CG-CD1 4.18Å; I53-I129 HydrophobicContact CB-CD1 4.42Å; I53-I129 HydrophobicContact CD1-CD1 4.36Å; I53-I129 HydrophobicContact CG1-CD1 3.88Å; I53-I129 HydrophobicContact CG2-CD1 4.04Å; I113-I129 CarbonylContact C-O 3.53Å; F114-I129 HydrophobicContact CB-CB 4.31Å; F114-I129 HydrophobicContact CB-CG2 4.12Å; F114-I129 HydrophobicContact CD1-CB 4.18Å; F114-I129 HydrophobicContact CD1-CD1 4.41Å; F114-I129 HydrophobicContact CD1-CG2 4.08Å; F114-I129 HydrophobicContact CG-CG2 4.49Å; F114-I129 PolarHBondContact N-O 2.99Å; Y115-I129 PolarHBondContact N-O 2.98Å; Y115-I129 PolarHBondContact O-N 2.94Å; I129-F138 HydrophobicContact CG2-CB 3.74Å; I129-F138 HydrophobicContact CG2-CD1 3.81Å; I129-F138 HydrophobicContact CG2-CG 4.25Å; I129-K139 VanDerWaalsContact CA-O 3.3Å; I129-K139 WeakPolarHBondContact CA-O 3.46Å; I129-C140 HydrophobicContact CG1-CB 4.19Å
130	A	94.8	Very high	89.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.8	171.4	0	0	0	0	0	110.3	H108 R112 I113 Y128 F138 K139	H108-A130 HydrophobicContact CB-CB 4.15Å; H108-A130 WeakPolarHBondContact CD2-CB 3.44Å; R112-A130 CarbonylContact O-C 3.53Å; R112-A130 WeakPolarHBondContact O-CA 3.28Å; I113-A130 HydrophobicContact CD1-CB 4.37Å; Y128-A130 HydrophobicContact CD2-CB 4.31Å; Y128-A130 HydrophobicContact CE2-CB 4.07Å; A130-F138 CarbonylContact O-C 3.39Å; A130-F138 WeakPolarHBondContact O-CA 3.25Å; A130-K139 PolarHBondContact N-O 3.34Å; A130-K139 PolarHBondContact O-N 2.87Å
131	R	93.6	Very high	90.1	Very high	122 Å²	122	46.4 Å²	46.4	46%	0.46	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.8	172	-178.9	178.5	176.9	-174.1	0.1	109.5	R112 N136 F138	R112-R131 PolarHBondContact O-N 3.23Å; R131-N136 PolarHBondContact NH2-OD1 3.29Å; R131-F138 HydrophobicContact CB-CD1 4.21Å; R131-F138 HydrophobicContact CB-CE1 3.89Å; R131-F138 HydrophobicContact CB-CZ 4.34Å; R131-F138 HydrophobicContact CG-CE1 4.18Å; R131-F138 HydrophobicContact CG-CZ 4.12Å
132	D	87	Confident	90.5	Very high	63 Å²	63	39.7 Å²	39.7	34%	0.337	21%	0.214	S	C	.	.			trans	-79.8	132.1	165.6	-171.8	9.4	0	0	0	109.9	V134 T137	D132-V134 VanDerWaalsContact C-N 3.32Å; D132-V134 PolarHBondContact O-N 2.9Å; D132-V134 PolarHBondContact OD1-N 2.83Å; D132-T137 WeakPolarHBondContact CB-OG1 3.48Å; D132-T137 PolarHBondContact N-O 3.49Å
133	G	74.2	Confident	90.7	Very high	47 Å²	47	37.7 Å²	37.7	49%	0.485	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-26.2	-175	0	0	0	0	0	113.2
134	V	79.6	Confident	91.1	Very high	121 Å²	121	37.5 Å²	37.5	73%	0.733	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-44.9	-174.4	-170.9	0	0	0	0	111.2	D132	D132-V134 VanDerWaalsContact C-N 3.32Å; D132-V134 PolarHBondContact O-N 2.9Å; D132-V134 PolarHBondContact OD1-N 2.83Å
135	N	77	Confident	90.9	Very high	107 Å²	107	36.7 Å²	36.7	57%	0.572	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	6.1	-164.4	-67.9	-16.3	0	0	0	115.3	T137	N135-T137 HydrophobicContact CB-CG2 3.88Å; N135-T137 PolarHBondContact O-N 2.96Å
136	N	81.8	Confident	90.2	Very high	100 Å²	100	40.7 Å²	40.7	54%	0.535	23%	0.225	S	C	.	.			trans	50.9	19.7	-171	-70.3	-33.4	0	0	0	113.9	R131 F138	R131-N136 PolarHBondContact NH2-OD1 3.29Å; N136-F138 WeakPolarHBondContact O-CE2 3.4Å
137	T	91.5	Very high	88.8	Confident	36 Å²	36	48.2 Å²	48.2	22%	0.221	26%	0.258	C	S	.	.			trans	-87.9	155	177.7	52.4	0	0	0	0	109.8	D132 N135	D132-T137 WeakPolarHBondContact CB-OG1 3.48Å; D132-T137 PolarHBondContact N-O 3.49Å; N135-T137 HydrophobicContact CB-CG2 3.88Å; N135-T137 PolarHBondContact O-N 2.96Å
138	F	94.8	Very high	87.3	Confident	9 Å²	9	58.2 Å²	58.2	4%	0.039	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.3	178.5	-69.1	-99.7	0	0	0	108.7	E43 M44 R46 F114 I129 A130 R131 N136	E43-F138 CarbonylContact C-O 3.6Å; E43-F138 WeakPolarHBondContact CA-O 3.22Å; M44-F138 HydrophobicContact CG-CB 3.91Å; M44-F138 PolarHBondContact N-O 3.5Å; M44-F138 PolarHBondContact O-N 3.25Å; R46-F138 VanDerWaalsContact CA-CD2 3.44Å; R46-F138 HydrophobicContact CB-CD2 3.89Å; R46-F138 HydrophobicContact CB-CE2 3.39Å; R46-F138 HydrophobicContact CB-CZ 3.91Å; R46-F138 HydrophobicContact CG-CD2 4.47Å; R46-F138 HydrophobicContact CG-CE1 4.41Å; R46-F138 HydrophobicContact CG-CE2 3.74Å; R46-F138 HydrophobicContact CG-CZ 3.68Å; F114-F138 HydrophobicContact CB-CD1 3.87Å; F114-F138 HydrophobicContact CB-CE1 3.77Å; F114-F138 HydrophobicContact CD1-CD1 4.25Å; F114-F138 HydrophobicContact CD1-CE1 4.3Å; F114-F138 HydrophobicContact CD2-CD1 4.26Å; F114-F138 AromaticContact CD2-CE1 3.52Å; F114-F138 HydrophobicContact CD2-CE1 3.52Å; F114-F138 HydrophobicContact CD2-CZ 4.35Å; F114-F138 HydrophobicContact CE2-CE1 4.18Å; F114-F138 AromaticContact CG-CD1 3.85Å; F114-F138 HydrophobicContact CG-CD1 3.85Å; F114-F138 AromaticContact CG-CE1 3.57Å; F114-F138 HydrophobicContact CG-CE1 3.57Å; I129-F138 HydrophobicContact CG2-CB 3.74Å; I129-F138 HydrophobicContact CG2-CD1 3.81Å; I129-F138 HydrophobicContact CG2-CG 4.25Å; A130-F138 CarbonylContact O-C 3.39Å; A130-F138 WeakPolarHBondContact O-CA 3.25Å; R131-F138 HydrophobicContact CB-CD1 4.21Å; R131-F138 HydrophobicContact CB-CE1 3.89Å; R131-F138 HydrophobicContact CB-CZ 4.34Å; R131-F138 HydrophobicContact CG-CE1 4.18Å; R131-F138 HydrophobicContact CG-CZ 4.12Å; N136-F138 WeakPolarHBondContact O-CE2 3.4Å
139	K	95.5	Very high	85.5	Confident	75 Å²	75	59.1 Å²	59.1	33%	0.326	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.6	179.5	-163.5	167.3	-158.5	150.4	0	109.9	S41 M42 E43 I129 A130 N141	S41-K139 VanDerWaalsContact OG-CE 3.29Å; S41-K139 WeakPolarHBondContact OG-CE 3.49Å; M42-K139 WeakPolarHBondContact O-CA 3.26Å; E43-K139 IonicContact OE1-NZ 3.87Å; I129-K139 VanDerWaalsContact CA-O 3.3Å; I129-K139 WeakPolarHBondContact CA-O 3.46Å; A130-K139 PolarHBondContact N-O 3.34Å; A130-K139 PolarHBondContact O-N 2.87Å; K139-N141 PolarHBondContact O-ND2 2.86Å
140	C	96.5	Very high	83.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.4	175.3	-176.5	0	0	0	0	108.8	S41 M42 M44 I129	S41-C140 WeakPolarHBondContact CA-O 3.21Å; S41-C140 WeakPolarHBondContact CB-O 3.36Å; M42-C140 HydrophobicContact CG-CB 4.21Å; M42-C140 PolarHBondContact N-O 3.29Å; M42-C140 VanDerWaalsContact N-O 3.12Å; M42-C140 PolarHBondContact O-N 2.84Å; M44-C140 HydrophobicContact SD-CB 3.97Å; I129-C140 HydrophobicContact CG1-CB 4.19Å
141	N	96.6	Very high	82.3	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.9	-180	-61	-67.9	0	0	0	109.5	Y38 S41 S127 Y128 K139 F143	Y38-N141 HydrophobicContact CE2-CB 4.31Å; S41-N141 WeakPolarHBondContact CB-OD1 3.35Å; S127-N141 WeakPolarHBondContact CA-O 3.33Å; S127-N141 WeakPolarHBondContact CB-O 3.2Å; Y128-N141 HydrophobicContact CD1-CB 4.3Å; Y128-N141 HydrophobicContact CE1-CB 3.93Å; Y128-N141 HydrophobicContact CE2-CB 4.27Å; Y128-N141 WeakPolarHBondContact CE2-ND2 3.23Å; Y128-N141 PolarHBondContact N-O 3.31Å; Y128-N141 VanDerWaalsContact N-O 3.15Å; Y128-N141 PolarHBondContact O-N 3.18Å; K139-N141 PolarHBondContact O-ND2 2.86Å; N141-F143 HydrophobicContact CB-CE2 3.68Å; N141-F143 HydrophobicContact CB-CZ 4.15Å; N141-F143 WeakPolarHBondContact O-CD2 3.48Å; N141-F143 WeakPolarHBondContact O-CE2 3.46Å
142	V	96.8	Very high	81.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.1	-170.3	-170	0	0	0	0	111.5	Y38 I39 G40 M57 V60 I125	Y38-V142 WeakPolarHBondContact CD2-O 3.31Å; I39-V142 HydrophobicContact CB-CB 4.45Å; I39-V142 WeakPolarHBondContact CB-O 3.36Å; I39-V142 HydrophobicContact CD1-CG1 3.97Å; I39-V142 PolarHBondContact N-O 3.2Å; G40-V142 PolarHBondContact O-N 3.34Å; M57-V142 HydrophobicContact CG-CG1 3.94Å; M57-V142 HydrophobicContact CG-CG2 4.1Å; V60-V142 HydrophobicContact CB-CB 4.39Å; V60-V142 HydrophobicContact CB-CG2 3.75Å; V60-V142 HydrophobicContact CG1-CB 3.94Å; V60-V142 HydrophobicContact CG1-CG2 3.76Å; V60-V142 HydrophobicContact CG2-CG2 4.02Å; I125-V142 HydrophobicContact CG2-CG1 3.76Å
143	F	95.4	Very high	80.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.4	-174.1	-59.3	-94.4	0	0	0	110.9	A36 K37 Y38 V74 L76 V85 I125 F126 Y128 N141	A36-F143 HydrophobicContact CB-CB 4.17Å; A36-F143 HydrophobicContact CB-CD1 4.36Å; K37-F143 CarbonylContact O-C 3.19Å; K37-F143 WeakPolarHBondContact O-CA 3.33Å; Y38-F143 AromaticContact CD2-CD1 3.85Å; Y38-F143 HydrophobicContact CD2-CD1 3.85Å; Y38-F143 AromaticContact CD2-CE1 3.42Å; Y38-F143 HydrophobicContact CD2-CE1 3.42Å; Y38-F143 VanDerWaalsContact CD2-CE1 3.42Å; Y38-F143 HydrophobicContact CD2-CE2 4.31Å; Y38-F143 HydrophobicContact CD2-CG 4.45Å; Y38-F143 AromaticContact CD2-CZ 3.67Å; Y38-F143 HydrophobicContact CD2-CZ 3.67Å; Y38-F143 HydrophobicContact CE2-CE1 4.29Å; Y38-F143 HydrophobicContact CE2-CZ 4.09Å; Y38-F143 HydrophobicContact CG-CD1 4.45Å; Y38-F143 HydrophobicContact CG-CE1 4.09Å; V74-F143 HydrophobicContact CG2-CD1 3.99Å; V74-F143 HydrophobicContact CG2-CE1 4.04Å; L76-F143 HydrophobicContact CD1-CD1 3.98Å; L76-F143 HydrophobicContact CD1-CE1 4.13Å; L76-F143 HydrophobicContact CD2-CD1 4.2Å; L76-F143 HydrophobicContact CD2-CD2 4.41Å; L76-F143 HydrophobicContact CD2-CE1 3.96Å; L76-F143 HydrophobicContact CD2-CE2 4.2Å; L76-F143 HydrophobicContact CD2-CG 4.43Å; L76-F143 HydrophobicContact CD2-CZ 3.98Å; L76-F143 HydrophobicContact CG-CE1 4.25Å; V85-F143 HydrophobicContact CG1-CE1 3.99Å; V85-F143 HydrophobicContact CG1-CZ 4.43Å; V85-F143 HydrophobicContact CG2-CE1 4.37Å; V85-F143 HydrophobicContact CG2-CZ 4.06Å; I125-F143 WeakPolarHBondContact CA-O 3.47Å; F126-F143 HydrophobicContact CD1-CB 3.79Å; F126-F143 HydrophobicContact CD2-CB 4.44Å; F126-F143 HydrophobicContact CD2-CD2 4.4Å; F126-F143 HydrophobicContact CE1-CB 3.27Å; F126-F143 HydrophobicContact CE1-CG 4.13Å; F126-F143 HydrophobicContact CE2-CB 3.98Å; F126-F143 AromaticContact CE2-CD2 3.86Å; F126-F143 HydrophobicContact CE2-CD2 3.86Å; F126-F143 HydrophobicContact CE2-CG 4.06Å; F126-F143 HydrophobicContact CG-CB 4.37Å; F126-F143 HydrophobicContact CZ-CB 3.39Å; F126-F143 HydrophobicContact CZ-CD1 4.44Å; F126-F143 HydrophobicContact CZ-CD2 4.02Å; F126-F143 AromaticContact CZ-CG 3.72Å; F126-F143 HydrophobicContact CZ-CG 3.72Å; F126-F143 PolarHBondContact N-O 3.47Å; F126-F143 PolarHBondContact O-N 2.92Å; Y128-F143 AromaticContact CD1-CE2 3.77Å; Y128-F143 HydrophobicContact CD1-CE2 3.77Å; Y128-F143 AromaticContact CE1-CE2 3.47Å; Y128-F143 HydrophobicContact CE1-CE2 3.47Å; Y128-F143 VanDerWaalsContact CE1-CE2 3.47Å; Y128-F143 AromaticContact CE1-CZ 3.77Å; Y128-F143 HydrophobicContact CE1-CZ 3.77Å; N141-F143 HydrophobicContact CB-CE2 3.68Å; N141-F143 HydrophobicContact CB-CZ 4.15Å; N141-F143 WeakPolarHBondContact O-CD2 3.48Å; N141-F143 WeakPolarHBondContact O-CE2 3.46Å
144	K	93.3	Very high	80.3	Confident	60 Å²	60	59.9 Å²	59.9	26%	0.261	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.8	172.1	178.6	163.5	-178.6	136.2	0	110.7	K37 I39 K71 Q124 I125	K37-K144 PolarHBondContact N-O 2.82Å; K37-K144 PolarHBondContact O-N 3.33Å; I39-K144 HydrophobicContact CD1-CB 4.03Å; I39-K144 HydrophobicContact CG1-CB 4.23Å; K71-K144 HydrophobicContact CD-CB 4.46Å; Q124-K144 HydrophobicContact CB-CG 4.36Å; Q124-K144 CarbonylContact O-C 3.55Å; Q124-K144 WeakPolarHBondContact O-CA 3.31Å; I125-K144 HydrophobicContact CD1-CB 3.84Å; I125-K144 HydrophobicContact CD1-CD 4.13Å; I125-K144 HydrophobicContact CD1-CG 4.04Å
145	C	87.5	Confident	80	Confident	15 Å²	15	55.2 Å²	55.2	10%	0.101	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	166.2	172.1	-76.5	0	0	0	0	112.8	Q124 F126 L153	Q124-C145 PolarHBondContact O-N 3.45Å; F126-C145 WeakPolarHBondContact CE1-SG 3.25Å; C145-L153 HydrophobicContact CB-CD1 4.4Å; C145-L153 HydrophobicContact CB-CD2 3.83Å; C145-L153 WeakPolarHBondContact SG-CD1 3.27Å
146	S	76.5	Confident	80.1	Confident	86 Å²	86	51.7 Å²	51.7	60%	0.601	27%	0.27	S	S	*	.			trans	-68.3	153.8	173.8	-171.2	0	0	0	0	111.9	K148 G149	S146-K148 PolarHBondContact O-N 3.44Å; S146-G149 PolarHBondContact O-N 2.94Å
147	K	66.3	Low	80.1	Confident	166 Å²	166	47.1 Å²	47.1	72%	0.722	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-60.3	-28.7	-176.1	-67.2	-170	169.6	-178.8	0	113.8	G149	K147-G149 PolarHBondContact O-N 3.37Å
148	K	63.3	Low	79.7	Confident	211 Å²	211	48.6 Å²	48.6	92%	0.917	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-77.8	8.8	-173.9	-66.6	-170.5	174.9	-173.8	0	114.7	S146	S146-K148 PolarHBondContact O-N 3.44Å
149	G	59	Low	79.1	Confident	21 Å²	21	49.4 Å²	49.4	22%	0.216	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-148.8	31.4	-172.9	0	0	0	0	0	115.2	S146 K147 L153	S146-G149 PolarHBondContact O-N 2.94Å; K147-G149 PolarHBondContact O-N 3.37Å; G149-L153 VanDerWaalsContact O-CB 3.25Å; G149-L153 WeakPolarHBondContact O-CB 3.38Å; G149-L153 PolarHBondContact O-N 2.89Å
150	S	60.9	Low	78.5	Confident	37 Å²	37	46 Å²	46	26%	0.259	24%	0.241	S	C	.	.	H	α-helix	trans	-66.7	-44.6	-178.6	50.9	0	0	0	0	113.7	L153 V154	S150-L153 WeakPolarHBondContact O-CB 3.29Å; S150-L153 PolarHBondContact O-N 3.48Å; S150-V154 PolarHBondContact O-N 2.99Å
151	L	61.5	Low	78	Confident	127 Å²	127	47.3 Å²	47.3	67%	0.665	25%	0.251	S	S	*	.	H	α-helix	trans	-65.7	-44.9	175.1	-72.1	170.8	0	0	0	110.9	L153 V154 A155	L151-L153 PolarHBondContact O-N 2.86Å; L151-V154 PolarHBondContact O-N 3.31Å; L151-A155 PolarHBondContact O-N 3.28Å
152	L	68.7	Low	77.5	Confident	54 Å²	54	51.6 Å²	51.6	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-57.1	-39.7	175	-159.7	80.6	0	0	0	111.2	L22 V154 A155 K156	L22-L152 HydrophobicContact CD1-CD1 3.28Å; L22-L152 HydrophobicContact CD1-CG 3.75Å; L22-L152 HydrophobicContact CD2-CD1 3.55Å; L22-L152 HydrophobicContact CG-CD1 4.02Å; L152-V154 PolarHBondContact O-N 2.77Å; L152-A155 PolarHBondContact O-N 2.92Å; L152-K156 HydrophobicContact CD2-CD 4.38Å; L152-K156 HydrophobicContact CG-CD 4.2Å; L152-K156 HydrophobicContact CG-CG 4.47Å; L152-K156 WeakPolarHBondContact O-CB 3.5Å; L152-K156 WeakPolarHBondContact O-CG 3.38Å; L152-K156 PolarHBondContact O-N 3.46Å
153	L	71.2	Confident	76.8	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-46.4	178.2	178.7	61.9	0	0	0	111.9	L123 F126 C145 G149 S150 L151 K156 V157	L123-L153 VanDerWaalsContact O-CD2 3.23Å; L123-L153 WeakPolarHBondContact O-CD2 3.26Å; F126-L153 HydrophobicContact CB-CD1 4.45Å; F126-L153 HydrophobicContact CB-CD2 4.33Å; F126-L153 HydrophobicContact CD1-CD1 3.78Å; F126-L153 HydrophobicContact CD1-CD2 3.99Å; F126-L153 HydrophobicContact CD1-CG 4.42Å; F126-L153 HydrophobicContact CE1-CD1 4.2Å; F126-L153 HydrophobicContact CG-CD1 4.16Å; C145-L153 HydrophobicContact CB-CD1 4.4Å; C145-L153 HydrophobicContact CB-CD2 3.83Å; C145-L153 WeakPolarHBondContact SG-CD1 3.27Å; G149-L153 VanDerWaalsContact O-CB 3.25Å; G149-L153 WeakPolarHBondContact O-CB 3.38Å; G149-L153 PolarHBondContact O-N 2.89Å; S150-L153 WeakPolarHBondContact O-CB 3.29Å; S150-L153 PolarHBondContact O-N 3.48Å; L151-L153 PolarHBondContact O-N 2.86Å; L153-K156 PolarHBondContact O-N 3.46Å; L153-V157 HydrophobicContact CD1-CG2 3.79Å; L153-V157 HydrophobicContact CG-CG2 4.13Å; L153-V157 WeakPolarHBondContact O-CB 3.36Å; L153-V157 VanDerWaalsContact O-CG2 3.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.28Å; L153-V157 PolarHBondContact O-N 3.18Å
154	V	72.3	Confident	76.3	Confident	28 Å²	28	52 Å²	52	17%	0.17	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-48.4	-179.5	176.4	0	0	0	0	110.2	L123 S150 L151 L152 K156 V157 N158	L123-V154 HydrophobicContact CB-CG2 4.29Å; L123-V154 HydrophobicContact CD2-CG2 3.93Å; L123-V154 HydrophobicContact CG-CG2 4.49Å; S150-V154 PolarHBondContact O-N 2.99Å; L151-V154 PolarHBondContact O-N 3.31Å; L152-V154 PolarHBondContact O-N 2.77Å; V154-K156 VanDerWaalsContact C-N 3.32Å; V154-K156 PolarHBondContact O-N 3.36Å; V154-V157 PolarHBondContact O-N 3.5Å; V154-N158 VanDerWaalsContact O-CB 3.31Å; V154-N158 WeakPolarHBondContact O-CB 3.3Å; V154-N158 PolarHBondContact O-N 3.19Å; V154-N158 PolarHBondContact O-ND2 3.39Å
155	A	74	Confident	75.9	Confident	23 Å²	23	53 Å²	53	19%	0.19	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-43.2	176.8	0	0	0	0	0	111.8	L22 L151 L152 N158 F159	L22-A155 HydrophobicContact CD1-CB 3.5Å; L22-A155 VanDerWaalsContact CD1-CB 3.5Å; L22-A155 HydrophobicContact CG-CB 4.28Å; L151-A155 PolarHBondContact O-N 3.28Å; L152-A155 PolarHBondContact O-N 2.92Å; A155-N158 PolarHBondContact O-N 3.29Å; A155-F159 WeakPolarHBondContact O-CB 3.27Å; A155-F159 PolarHBondContact O-N 3.01Å
156	K	77.7	Confident	75.7	Confident	33 Å²	33	59.4 Å²	59.4	14%	0.143	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-44.7	176.5	-68.2	179.7	175.8	-171.4	0	113.1	L22 Y23 F34 L152 L153 V154 N158 F159 L160	L22-K156 HydrophobicContact CD1-CG 3.79Å; Y23-K156 HydrophobicContact CD2-CG 4.14Å; Y23-K156 HydrophobicContact CE2-CB 4.35Å; Y23-K156 HydrophobicContact CE2-CD 3.61Å; Y23-K156 VanDerWaalsContact CE2-CE 3.48Å; Y23-K156 HydrophobicContact CE2-CG 3.49Å; Y23-K156 VanDerWaalsContact CE2-CG 3.49Å; Y23-K156 WeakPolarHBondContact OH-CE 3.32Å; Y23-K156 PolarHBondContact OH-NZ 2.79Å; F34-K156 HydrophobicContact CD1-CD 4.1Å; F34-K156 HydrophobicContact CE1-CB 3.48Å; F34-K156 VanDerWaalsContact CE1-CB 3.48Å; F34-K156 HydrophobicContact CE1-CD 3.39Å; F34-K156 HydrophobicContact CE1-CG 4Å; F34-K156 HydrophobicContact CZ-CB 3.77Å; F34-K156 HydrophobicContact CZ-CD 3.97Å; F34-K156 HydrophobicContact CZ-CG 4.3Å; L152-K156 HydrophobicContact CD2-CD 4.38Å; L152-K156 HydrophobicContact CG-CD 4.2Å; L152-K156 HydrophobicContact CG-CG 4.47Å; L152-K156 WeakPolarHBondContact O-CB 3.5Å; L152-K156 WeakPolarHBondContact O-CG 3.38Å; L152-K156 PolarHBondContact O-N 3.46Å; L153-K156 PolarHBondContact O-N 3.46Å; V154-K156 VanDerWaalsContact C-N 3.32Å; V154-K156 PolarHBondContact O-N 3.36Å; K156-N158 VanDerWaalsContact C-N 3.31Å; K156-N158 PolarHBondContact O-N 3.37Å; K156-F159 PolarHBondContact O-N 3.23Å; K156-L160 WeakPolarHBondContact O-CB 3.33Å; K156-L160 VanDerWaalsContact O-CG 3.22Å; K156-L160 WeakPolarHBondContact O-CG 3.11Å; K156-L160 PolarHBondContact O-N 3.07Å
157	V	81.7	Confident	76	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-41.7	177	164.5	0	0	0	0	110.5	V116 H118 F126 L153 V154 L160 S161	V116-V157 HydrophobicContact CG1-CG1 3.95Å; H118-V157 HydrophobicContact CB-CG1 4.39Å; F126-V157 HydrophobicContact CB-CG2 3.79Å; F126-V157 HydrophobicContact CD2-CG2 4.31Å; F126-V157 HydrophobicContact CG-CG2 4.16Å; L153-V157 HydrophobicContact CD1-CG2 3.79Å; L153-V157 HydrophobicContact CG-CG2 4.13Å; L153-V157 WeakPolarHBondContact O-CB 3.36Å; L153-V157 VanDerWaalsContact O-CG2 3.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.28Å; L153-V157 PolarHBondContact O-N 3.18Å; V154-V157 PolarHBondContact O-N 3.5Å; V157-L160 PolarHBondContact O-N 3.43Å; V157-S161 VanDerWaalsContact O-CB 3.26Å; V157-S161 WeakPolarHBondContact O-CB 3.39Å; V157-S161 PolarHBondContact O-N 2.93Å
158	N	83.2	Confident	76.7	Confident	67 Å²	67	52.3 Å²	52.3	36%	0.358	26%	0.264	S	S	.	.	H	α-helix	trans	-65.6	-45.9	176.9	-71.3	-15.5	0	0	0	111.3	V154 A155 K156 L160 S161 N162	V154-N158 VanDerWaalsContact O-CB 3.31Å; V154-N158 WeakPolarHBondContact O-CB 3.3Å; V154-N158 PolarHBondContact O-N 3.19Å; V154-N158 PolarHBondContact O-ND2 3.39Å; A155-N158 PolarHBondContact O-N 3.29Å; K156-N158 VanDerWaalsContact C-N 3.31Å; K156-N158 PolarHBondContact O-N 3.37Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 PolarHBondContact O-N 2.89Å; N158-S161 PolarHBondContact O-N 3.36Å; N158-N162 WeakPolarHBondContact O-CB 3.42Å; N158-N162 PolarHBondContact O-N 3.09Å; N158-N162 PolarHBondContact O-ND2 2.87Å
159	F	83.2	Confident	77.6	Confident	26 Å²	26	46.5 Å²	46.5	11%	0.114	24%	0.244	C	C	.	.	H	α-helix	trans	-53.5	-52.8	173.4	174.2	-92.4	0	0	0	110.7	Y23 F28 I32 A155 K156 S161 N162 S163	Y23-F159 WeakPolarHBondContact O-CE2 3.46Å; F28-F159 HydrophobicContact CB-CE1 4.1Å; F28-F159 HydrophobicContact CB-CZ 4.25Å; F28-F159 HydrophobicContact CD2-CE1 4.5Å; F28-F159 HydrophobicContact CG-CE1 4.41Å; I32-F159 HydrophobicContact CD1-CD1 4.04Å; I32-F159 HydrophobicContact CD1-CE1 3.55Å; A155-F159 WeakPolarHBondContact O-CB 3.27Å; A155-F159 PolarHBondContact O-N 3.01Å; K156-F159 PolarHBondContact O-N 3.23Å; F159-S161 PolarHBondContact O-N 3.38Å; F159-N162 PolarHBondContact O-N 3.3Å; F159-S163 PolarHBondContact O-N 2.97Å; F159-S163 PolarHBondContact O-OG 3.42Å
160	L	83.3	Confident	78.7	Confident	4 Å²	4	48 Å²	48	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-45.8	179.4	-69	174.9	0	0	0	112.8	F28 I32 F34 I78 K156 V157 N158 N162 S163 I164	F28-L160 HydrophobicContact CD2-CD2 4Å; F28-L160 HydrophobicContact CE2-CD2 3.94Å; I32-L160 HydrophobicContact CD1-CD2 4.12Å; F34-L160 HydrophobicContact CE1-CD1 4.31Å; F34-L160 HydrophobicContact CE2-CD1 3.7Å; F34-L160 HydrophobicContact CZ-CD1 3.46Å; F34-L160 VanDerWaalsContact CZ-CD1 3.46Å; F34-L160 HydrophobicContact CZ-CG 4.27Å; I78-L160 HydrophobicContact CB-CD1 4.34Å; I78-L160 HydrophobicContact CB-CD2 4.06Å; I78-L160 HydrophobicContact CD1-CD1 3.39Å; I78-L160 HydrophobicContact CG1-CD1 4.41Å; I78-L160 HydrophobicContact CG2-CD1 4.06Å; I78-L160 HydrophobicContact CG2-CD2 3.44Å; I78-L160 VanDerWaalsContact CG2-CD2 3.44Å; I78-L160 HydrophobicContact CG2-CG 4.29Å; K156-L160 WeakPolarHBondContact O-CB 3.33Å; K156-L160 VanDerWaalsContact O-CG 3.22Å; K156-L160 WeakPolarHBondContact O-CG 3.11Å; K156-L160 PolarHBondContact O-N 3.07Å; V157-L160 PolarHBondContact O-N 3.43Å; N158-L160 VanDerWaalsContact C-N 3.34Å; N158-L160 PolarHBondContact O-N 2.89Å; L160-N162 PolarHBondContact O-N 3.31Å; L160-S163 PolarHBondContact O-N 3.39Å; L160-I164 HydrophobicContact CB-CD1 4.4Å; L160-I164 VanDerWaalsContact O-CB 3.28Å; L160-I164 WeakPolarHBondContact O-CB 3.33Å; L160-I164 VanDerWaalsContact O-CD1 3.31Å; L160-I164 WeakPolarHBondContact O-CD1 3.36Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 2.83Å
161	S	85.7	Confident	79.5	Confident	28 Å²	28	48.9 Å²	48.9	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-44	176.7	-178.4	0	0	0	0	110.7	V157 N158 F159 Q165	V157-S161 VanDerWaalsContact O-CB 3.26Å; V157-S161 WeakPolarHBondContact O-CB 3.39Å; V157-S161 PolarHBondContact O-N 2.93Å; N158-S161 PolarHBondContact O-N 3.36Å; F159-S161 PolarHBondContact O-N 3.38Å; S161-Q165 VanDerWaalsContact O-CB 3.25Å; S161-Q165 WeakPolarHBondContact O-CB 3.25Å; S161-Q165 PolarHBondContact O-N 2.86Å
162	N	85.1	Confident	80	Confident	90 Å²	90	48.7 Å²	48.7	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-46.9	178.6	-69.8	-19	0	0	0	112	N158 F159 L160 I164 Q165 R166	N158-N162 WeakPolarHBondContact O-CB 3.42Å; N158-N162 PolarHBondContact O-N 3.09Å; N158-N162 PolarHBondContact O-ND2 2.87Å; F159-N162 PolarHBondContact O-N 3.3Å; L160-N162 PolarHBondContact O-N 3.31Å; N162-I164 PolarHBondContact O-N 2.85Å; N162-Q165 PolarHBondContact O-N 3.25Å; N162-R166 VanDerWaalsContact O-CG 3.31Å; N162-R166 WeakPolarHBondContact O-CG 3.35Å; N162-R166 PolarHBondContact O-N 3.19Å
163	S	83.9	Confident	80	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-42.6	178.3	-60.2	0	0	0	0	111.9	F159 L160 Q165 R166 L167	F159-S163 PolarHBondContact O-N 2.97Å; F159-S163 PolarHBondContact O-OG 3.42Å; L160-S163 PolarHBondContact O-N 3.39Å; S163-Q165 PolarHBondContact O-N 2.95Å; S163-R166 PolarHBondContact O-N 3.26Å; S163-L167 WeakPolarHBondContact O-CG 3.15Å; S163-L167 PolarHBondContact O-N 3.33Å
164	I	83.2	Confident	79.7	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-43.6	174.8	-66.2	162.9	0	0	0	110.5	I110 I113 V116 L160 N162 L167 K168	I110-I164 HydrophobicContact CD1-CB 4.34Å; I110-I164 HydrophobicContact CD1-CG1 3.65Å; I110-I164 HydrophobicContact CD1-CG2 4.24Å; I113-I164 HydrophobicContact CB-CG2 4.36Å; I113-I164 HydrophobicContact CG2-CD1 4.29Å; I113-I164 HydrophobicContact CG2-CG2 4.31Å; V116-I164 HydrophobicContact CG2-CD1 3.56Å; L160-I164 HydrophobicContact CB-CD1 4.4Å; L160-I164 VanDerWaalsContact O-CB 3.28Å; L160-I164 WeakPolarHBondContact O-CB 3.33Å; L160-I164 VanDerWaalsContact O-CD1 3.31Å; L160-I164 WeakPolarHBondContact O-CD1 3.36Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 2.83Å; N162-I164 PolarHBondContact O-N 2.85Å; I164-L167 PolarHBondContact O-N 2.89Å; I164-K168 HydrophobicContact CG2-CD 4.32Å; I164-K168 WeakPolarHBondContact O-CG 3.46Å; I164-K168 PolarHBondContact O-N 2.91Å
165	Q	84.7	Confident	79.1	Confident	82 Å²	82	59 Å²	59	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-40.7	178.6	-169.8	60.9	49.9	0	0	111.8	S161 N162 S163 K168 N169	S161-Q165 VanDerWaalsContact O-CB 3.25Å; S161-Q165 WeakPolarHBondContact O-CB 3.25Å; S161-Q165 PolarHBondContact O-N 2.86Å; N162-Q165 PolarHBondContact O-N 3.25Å; S163-Q165 PolarHBondContact O-N 2.95Å; Q165-K168 PolarHBondContact O-N 2.98Å; Q165-N169 PolarHBondContact NE2-OD1 3.26Å; Q165-N169 WeakPolarHBondContact O-CB 3.31Å; Q165-N169 PolarHBondContact O-N 3.43Å; Q165-N169 PolarHBondContact O-OD1 3.39Å
166	R	84.6	Confident	77.9	Confident	150 Å²	150	65.9 Å²	65.9	57%	0.566	35%	0.351	S	S	*	.	H	α-helix	trans	-59.6	-47.8	174	-73.9	174.1	-173.6	173.6	-0.1	111.5	E25 N162 S163 K168 N169 A170	E25-R166 IonicContact OE1-NH1 3.02Å; E25-R166 PolarHBondContact OE1-NH1 2.9Å; N162-R166 VanDerWaalsContact O-CG 3.31Å; N162-R166 WeakPolarHBondContact O-CG 3.35Å; N162-R166 PolarHBondContact O-N 3.19Å; S163-R166 PolarHBondContact O-N 3.26Å; R166-K168 VanDerWaalsContact C-N 3.34Å; R166-K168 PolarHBondContact O-N 3.22Å; R166-N169 PolarHBondContact O-N 3.3Å; R166-A170 WeakPolarHBondContact O-CB 3.41Å; R166-A170 PolarHBondContact O-N 3.3Å
167	L	82.5	Confident	76.4	Confident	66 Å²	66	67.4 Å²	67.4	35%	0.346	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-42.2	178.5	-76.1	179	0	0	0	112.4	F28 V80 I110 S163 I164 A170 A171	F28-L167 HydrophobicContact CE1-CD1 3.67Å; F28-L167 HydrophobicContact CZ-CD1 4.07Å; V80-L167 HydrophobicContact CG1-CD1 4.32Å; I110-L167 HydrophobicContact CD1-CD1 4.27Å; I110-L167 HydrophobicContact CG1-CD1 3.83Å; S163-L167 WeakPolarHBondContact O-CG 3.15Å; S163-L167 PolarHBondContact O-N 3.33Å; I164-L167 PolarHBondContact O-N 2.89Å; L167-A170 PolarHBondContact O-N 3Å; L167-A171 WeakPolarHBondContact O-CB 3.22Å; L167-A171 PolarHBondContact O-N 3.34Å
168	K	80.3	Confident	74.5	Confident	36 Å²	36	72 Å²	72	16%	0.157	41%	0.408	C	S	.	.	H	α-helix	trans	-61.5	-47.4	174.3	-71.8	170.6	-177.9	169.5	0	111.9	I113 F114 I164 Q165 R166 A170 A171 H172	I113-K168 WeakPolarHBondContact O-CE 3.46Å; I113-K168 PolarHBondContact O-NZ 3.43Å; F114-K168 PolarHBondContact O-NZ 3.38Å; I164-K168 HydrophobicContact CG2-CD 4.32Å; I164-K168 WeakPolarHBondContact O-CG 3.46Å; I164-K168 PolarHBondContact O-N 2.91Å; Q165-K168 PolarHBondContact O-N 2.98Å; R166-K168 VanDerWaalsContact C-N 3.34Å; R166-K168 PolarHBondContact O-N 3.22Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 3.33Å; K168-A171 PolarHBondContact O-N 2.91Å; K168-H172 PolarHBondContact O-CD2 3.31Å; K168-H172 PolarHBondContact O-N 3.05Å
169	N	82.9	Confident	72.3	Confident	90 Å²	90	72.1 Å²	72.1	48%	0.481	43%	0.425	S	S	.	.	H	α-helix	trans	-61.8	-40.5	-179.7	-67.7	-5.4	0	0	0	111.2	Q165 R166 H172 A173	Q165-N169 PolarHBondContact NE2-OD1 3.26Å; Q165-N169 WeakPolarHBondContact O-CB 3.31Å; Q165-N169 PolarHBondContact O-N 3.43Å; Q165-N169 PolarHBondContact O-OD1 3.39Å; R166-N169 PolarHBondContact O-N 3.3Å; N169-H172 PolarHBondContact O-N 2.97Å; N169-A173 PolarHBondContact O-N 2.86Å
170	A	82.7	Confident	70.1	Confident	51 Å²	51	79.7 Å²	79.7	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-41.9	175.6	0	0	0	0	0	112.5	R166 L167 K168 H172 A173 N174	R166-A170 WeakPolarHBondContact O-CB 3.41Å; R166-A170 PolarHBondContact O-N 3.3Å; L167-A170 PolarHBondContact O-N 3Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 3.33Å; A170-H172 VanDerWaalsContact C-N 3.34Å; A170-H172 PolarHBondContact O-N 3.06Å; A170-A173 PolarHBondContact O-N 3.34Å; A170-N174 PolarHBondContact O-N 3.11Å
171	A	77.6	Confident	67.8	Low	57 Å²	57	85.5 Å²	85.5	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-40.7	175.4	0	0	0	0	0	111.9	L167 K168 V175	L167-A171 WeakPolarHBondContact O-CB 3.22Å; L167-A171 PolarHBondContact O-N 3.34Å; K168-A171 PolarHBondContact O-N 2.91Å; A171-V175 WeakPolarHBondContact O-CG2 3.31Å; A171-V175 PolarHBondContact O-N 2.85Å
172	H	71.6	Confident	65.5	Low	122 Å²	122	89 Å²	89	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-43.4	172.6	-82.4	-79	0	0	0	111.9	K168 N169 A170 N174 V175 F176	K168-H172 PolarHBondContact O-CD2 3.31Å; K168-H172 PolarHBondContact O-N 3.05Å; N169-H172 PolarHBondContact O-N 2.97Å; A170-H172 VanDerWaalsContact C-N 3.34Å; A170-H172 PolarHBondContact O-N 3.06Å; H172-N174 PolarHBondContact O-N 3.18Å; H172-V175 PolarHBondContact O-N 3.47Å; H172-F176 WeakPolarHBondContact O-CD2 3.33Å; H172-F176 PolarHBondContact O-N 3.17Å
173	A	69.1	Low	63.2	Low	58 Å²	58	92 Å²	92	48%	0.479	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-41.1	178.3	0	0	0	0	0	112.6	N169 A170 V175 F176 G177	N169-A173 PolarHBondContact O-N 2.86Å; A170-A173 PolarHBondContact O-N 3.34Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 3.03Å; A173-F176 PolarHBondContact O-N 3.19Å; A173-G177 WeakPolarHBondContact O-CA 3.29Å; A173-G177 PolarHBondContact O-N 2.92Å
174	N	65.1	Low	61.3	Low	135 Å²	135	96.9 Å²	96.9	72%	0.722	57%	0.571	S	S	*	*	H	α-helix	trans	-68.5	-26.5	178.3	-79.6	-0.2	0	0	0	113.6	A170 H172	A170-N174 PolarHBondContact O-N 3.11Å; H172-N174 PolarHBondContact O-N 3.18Å
175	V	59.7	Low	59	Low	109 Å²	109	103 Å²	103	66%	0.661	61%	0.609	S	S	*	*	H	α-helix	trans	-77.4	-30.6	176.6	174.3	0	0	0	0	111.7	A171 H172 A173	A171-V175 WeakPolarHBondContact O-CG2 3.31Å; A171-V175 PolarHBondContact O-N 2.85Å; H172-V175 PolarHBondContact O-N 3.47Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 3.03Å
176	F	48.1	Very low	56.7	Low	168 Å²	168	103.8 Å²	103.8	74%	0.737	63%	0.63	S	S	*	*	H	α-helix	trans	-101.3	-8.8	-179.7	-70.9	-75.6	0	0	0	114.4	H172 A173	H172-F176 WeakPolarHBondContact O-CD2 3.33Å; H172-F176 PolarHBondContact O-N 3.17Å; A173-F176 PolarHBondContact O-N 3.19Å
177	G	46.8	Very low	54.4	Low	65 Å²	65	105.1 Å²	105.1	67%	0.67	64%	0.642	S	S	*	*	S	Bend	trans	-96.3	6.2	-169.5	0	0	0	0	0	117.1	A173	A173-G177 WeakPolarHBondContact O-CA 3.29Å; A173-G177 PolarHBondContact O-N 2.92Å
178	S	40.9	Very low	52	Low	99 Å²	99	110.8 Å²	110.8	69%	0.692	67%	0.667	S	S	*	*			trans	-102.7	15	179.3	52.9	0	0	0	0	114.7	Q180	S178-Q180 VanDerWaalsContact C-N 3.3Å; S178-Q180 PolarHBondContact O-N 3.04Å
179	G	36.5	Very low	50.4	Low	70 Å²	70	119.5 Å²	119.5	72%	0.722	72%	0.723	S	S	*	*			trans	-77.8	75.1	167.2	0	0	0	0	0	111.7	V181	G179-V181 PolarHBondContact O-N 3.16Å
180	Q	37.3	Very low	48.8	Very low	186 Å²	186	121 Å²	121	87%	0.869	74%	0.736	S	S	*	*			trans	-65.5	118	168.2	-84.8	-155.8	-45.4	0	0	110.5	S178 S182	S178-Q180 VanDerWaalsContact C-N 3.3Å; S178-Q180 PolarHBondContact O-N 3.04Å; Q180-S182 PolarHBondContact O-N 3.14Å
181	V	35.4	Very low	47	Very low	125 Å²	125	124.6 Å²	124.6	76%	0.758	75%	0.752	S	S	*	*			trans	-57.2	114.9	159.2	175.7	0	0	0	0	108	G179	G179-V181 PolarHBondContact O-N 3.16Å
182	S	37.8	Very low	45.3	Very low	102 Å²	102	128.4 Å²	128.4	71%	0.713	77%	0.768	S	S	*	*			trans	-105.9	97.9	159	45	0	0	0	0	107.6	Q180 S184	Q180-S182 PolarHBondContact O-N 3.14Å; S182-S184 PolarHBondContact O-N 3.41Å
183	N	36.5	Very low	43.8	Very low	153 Å²	153	128.8 Å²	128.8	82%	0.818	78%	0.78	S	S	*	*			trans	-67.5	107.2	157	-89.1	-6.8	0	0	0	106.6
184	S	43	Very low	42.2	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	80%	0.798	S	S	*	*			trans	-115.8	106.8	160.6	42.4	0	0	0	0	107.6	S182	S182-S184 PolarHBondContact O-N 3.41Å
185	T	35.2	Very low	40.6	Very low	132 Å²	132	133.1 Å²	133.1	81%	0.81	80%	0.803	S	S	*	*			trans	-56.8	130.2	165.8	-38.9	0	0	0	0	109
186	A	37.7	Very low	39.3	Very low	100 Å²	100	134.8 Å²	134.8	83%	0.826	81%	0.814	S	S	*	*			trans	-141.8	114.6	157.8	0	0	0	0	0	108
187	E	34.7	Very low	38.6	Very low	177 Å²	177	132.2 Å²	132.2	83%	0.827	82%	0.82	S	S	*	*			trans	-68.2	172.1	171.6	-70.3	171.5	125.4	0	0	112.1
188	E	32.1	Very low	37.9	Very low	185 Å²	185	137.8 Å²	137.8	86%	0.864	83%	0.832	S	S	*	*			trans	78.1	92.3	162	-73.1	-178.4	143.9	0	0	118.4
189	T	47.9	Very low	37.6	Very low	219 Å²	219	141.4 Å²	141.4	100%	1.344	85%	0.845	S	S	*	*				-158.7	0	89.1	-8.4	0	0	0	0	111.1

Retrieved 189 of 189 residues in 399.8 ms (Link to these results)

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