A0A077ZKB7_TRITR Loading...

Dual oxidase 1

AlphaFold DB , UniProt , Accession A0A077ZKB7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 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	77.5	Confident	90.4	Very high	92 Å²	92	97.8 Å²	97.8	45%	0.453	48%	0.481	S	S	.	.				0	139.9	0	-131.2	178.2	171.9	0	0	108.3	S5 R6 S125	M1-S5 VanDerWaalsContact CB-OG 3.28Å; M1-S5 WeakPolarHBondContact CB-OG 3.42Å; M1-S5 VanDerWaalsContact CG-CB 3.43Å; M1-S5 WeakPolarHBondContact CG-OG 3.46Å; M1-S5 PolarHBondContact SD-OG 3.48Å; M1-R6 HydrophobicContact CE-CB 4.31Å; M1-R6 WeakPolarHBondContact CE-O 3.32Å; M1-S125 WeakPolarHBondContact CB-OG 3.17Å; M1-S125 PolarHBondContact O-N 3.43Å
2	Y	85	Confident	90.5	Very high	187 Å²	187	99.8 Å²	99.8	73%	0.733	51%	0.507	S	S	*	.			trans	-80.2	162.4	-177.6	-59.4	-74.7	0	0	0	111.9	G4 S5	Y2-G4 PolarHBondContact O-N 3Å; Y2-S5 WeakPolarHBondContact O-CB 3.28Å; Y2-S5 PolarHBondContact O-N 3.34Å; Y2-S5 PolarHBondContact O-OG 3.25Å
3	P	85.9	Confident	90.7	Very high	56 Å²	56	93.6 Å²	93.6	36%	0.364	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	140.5	171.9	-18.7	32.1	0	0	0	110.3	S5 T124 V135	P3-S5 VanDerWaalsContact C-N 3.32Å; P3-T124 HydrophobicContact CG-CG2 3.78Å; P3-V135 HydrophobicContact CB-CB 4.29Å; P3-V135 HydrophobicContact CB-CG2 4.47Å; P3-V135 HydrophobicContact CG-CB 3.73Å; P3-V135 HydrophobicContact CG-CG1 4.01Å; P3-V135 HydrophobicContact CG-CG2 4.43Å
4	G	90.2	Very high	90.8	Very high	44 Å²	44	94.1 Å²	94.1	45%	0.454	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-2.9	-176.1	0	0	0	0	0	114.6	Y2 I120 N121	Y2-G4 PolarHBondContact O-N 3Å; G4-I120 VanDerWaalsContact C-CG2 3.44Å; G4-I120 VanDerWaalsContact CA-CG2 3.45Å; G4-I120 WeakPolarHBondContact O-CG2 3.13Å; G4-N121 PolarHBondContact N-O 2.99Å
5	S	93.4	Very high	91.1	Very high	21 Å²	21	90.6 Å²	90.6	15%	0.147	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	157.4	179	68.3	0	0	0	0	112.8	M1 Y2 P3 I120 N121	M1-S5 VanDerWaalsContact CB-OG 3.28Å; M1-S5 WeakPolarHBondContact CB-OG 3.42Å; M1-S5 VanDerWaalsContact CG-CB 3.43Å; M1-S5 WeakPolarHBondContact CG-OG 3.46Å; M1-S5 PolarHBondContact SD-OG 3.48Å; Y2-S5 WeakPolarHBondContact O-CB 3.28Å; Y2-S5 PolarHBondContact O-N 3.34Å; Y2-S5 PolarHBondContact O-OG 3.25Å; P3-S5 VanDerWaalsContact C-N 3.32Å; S5-I120 WeakPolarHBondContact O-CA 3.4Å; S5-N121 PolarHBondContact O-N 2.95Å
6	R	94.2	Very high	91.2	Very high	79 Å²	79	90.6 Å²	90.6	30%	0.298	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	146.2	-176.6	-48.5	-173.3	-170.3	172.3	-10.7	112.3	M1 D106 S108 T109 E118 Q119	M1-R6 HydrophobicContact CE-CB 4.31Å; M1-R6 WeakPolarHBondContact CE-O 3.32Å; R6-D106 HydrophobicContact CG-CB 4.27Å; R6-D106 IonicContact CZ-OD2 2.9Å; R6-D106 VanDerWaalsContact CZ-OD2 3.25Å; R6-D106 IonicContact NE-OD2 3.68Å; R6-D106 PolarHBondContact NE-OD2 2.94Å; R6-D106 IonicContact NH2-OD2 3.06Å; R6-D106 PolarHBondContact NH2-OD2 3.36Å; R6-S108 PolarHBondContact NH2-OG 3.43Å; R6-T109 VanDerWaalsContact CZ-CG2 3.44Å; R6-E118 HydrophobicContact CB-CB 4.36Å; R6-E118 WeakPolarHBondContact CD-OE2 3.45Å; R6-E118 IonicContact CZ-OE2 3.25Å; R6-E118 IonicContact NE-OE2 2.64Å; R6-E118 IonicContact NH1-OE2 3.32Å; R6-E118 PolarHBondContact NH1-OE2 3.29Å; R6-Q119 WeakPolarHBondContact CA-O 3.48Å
7	L	93.4	Very high	91.3	Very high	53 Å²	53	88.5 Å²	88.5	28%	0.277	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-67.6	138.3	173.4	-64.7	177.3	0	0	0	111.6	L65 Q119 N121	L7-L65 HydrophobicContact CD1-CD1 4.49Å; L7-L65 HydrophobicContact CD2-CD1 3.47Å; L7-L65 VanDerWaalsContact CD2-CD1 3.47Å; L7-Q119 HydrophobicContact CD1-CB 3.84Å; L7-Q119 HydrophobicContact CG-CB 4.42Å; L7-Q119 PolarHBondContact N-O 2.89Å; L7-N121 HydrophobicContact CD2-CB 3.81Å
8	F	92.4	Very high	91.4	Very high	179 Å²	179	85.2 Å²	85.2	79%	0.785	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-66.2	135.8	173.2	179.6	-106	0	0	0	110.9	Q10	F8-Q10 HydrophobicContact CD1-CG 4.2Å; F8-Q10 HydrophobicContact CE1-CG 3.62Å
9	R	92.6	Very high	91.6	Very high	78 Å²	78	81.5 Å²	81.5	29%	0.294	44%	0.44	S	S	.	.			trans	-113.2	120.7	176.7	-72.5	-178.3	175.3	-92.7	4.4	109.9	S13 R117	R9-S13 VanDerWaalsContact NH1-CA 3.34Å; R9-S13 VanDerWaalsContact NH1-CB 3.28Å; R9-R117 PolarHBondContact NH2-O 3.29Å
10	Q	94.7	Very high	91.7	Very high	181 Å²	181	82.1 Å²	82.1	85%	0.846	44%	0.436	S	S	*	.	S	Bend	trans	-76.6	-26.3	171.2	-74.7	-179	-41.5	0	0	112.8	F8	F8-Q10 HydrophobicContact CD1-CG 4.2Å; F8-Q10 HydrophobicContact CE1-CG 3.62Å
11	V	94.7	Very high	91.8	Very high	106 Å²	106	84.4 Å²	84.4	64%	0.642	44%	0.439	S	S	*	.	S	Bend	trans	-131.6	151	179.1	-65.9	0	0	0	0	110
12	P	92.1	Very high	92.4	Very high	121 Å²	121	82.3 Å²	82.3	79%	0.786	43%	0.429	S	S	*	.			trans	-54.6	153.2	175.1	-25	34.4	0	0	0	112.5	A14	P12-A14 PolarHBondContact O-N 3.48Å
13	S	92.5	Very high	92.7	Very high	20 Å²	20	76.4 Å²	76.4	14%	0.14	41%	0.41	C	S	.	.			trans	-65.8	132.1	178.2	61	0	0	0	0	112.3	R9 Y15 P116	R9-S13 VanDerWaalsContact NH1-CA 3.34Å; R9-S13 VanDerWaalsContact NH1-CB 3.28Å; S13-Y15 PolarHBondContact O-N 3.37Å; S13-P116 WeakPolarHBondContact OG-CB 3.49Å; S13-P116 WeakPolarHBondContact OG-CG 3.45Å
14	A	93.1	Very high	92.7	Very high	101 Å²	101	80.8 Å²	80.8	84%	0.835	42%	0.42	S	S	*	.			trans	-99.5	66.6	176.4	0	0	0	0	0	111.8	P12	P12-A14 PolarHBondContact O-N 3.48Å
15	Y	94.4	Very high	92.6	Very high	41 Å²	41	83.9 Å²	83.9	16%	0.161	44%	0.435	C	S	.	.			trans	-87	150	171.3	-68.5	-60.4	0	0	0	111.1	S13 D17 G18 V19 R21 P116 R117 Q119	S13-Y15 PolarHBondContact O-N 3.37Å; Y15-D17 VanDerWaalsContact C-N 3.26Å; Y15-D17 PolarHBondContact O-N 3.23Å; Y15-G18 PolarHBondContact O-N 2.99Å; Y15-V19 WeakPolarHBondContact CD2-O 3.42Å; Y15-V19 WeakPolarHBondContact CE2-O 3.3Å; Y15-R21 CarbonylContact C-O 3.16Å; Y15-R21 WeakPolarHBondContact CA-O 3.45Å; Y15-R21 WeakPolarHBondContact CB-O 3.49Å; Y15-P116 HydrophobicContact CD2-CB 4.34Å; Y15-R117 HydrophobicContact CE2-CB 3.87Å; Y15-R117 PolarHBondContact OH-O 3.17Å; Y15-Q119 PolarHBondContact OH-NE2 2.97Å
16	L	93.4	Very high	92.4	Very high	91 Å²	91	89 Å²	89	48%	0.476	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-38.3	-178.9	-179.9	67	0	0	0	112.3	R21 N23	L16-R21 HydrophobicContact CB-CB 4.45Å; L16-R21 HydrophobicContact CD2-CG 4.38Å; L16-R21 PolarHBondContact N-O 3.42Å; L16-N23 HydrophobicContact CB-CB 4.48Å
17	D	93.1	Very high	92.3	Very high	55 Å²	55	90 Å²	90	29%	0.294	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.8	177	62	-9.4	0	0	0	112.9	Y15 V19 Y20 R21	Y15-D17 VanDerWaalsContact C-N 3.26Å; Y15-D17 PolarHBondContact O-N 3.23Å; D17-V19 PolarHBondContact O-N 3.23Å; D17-V19 PolarHBondContact OD1-N 3.07Å; D17-Y20 PolarHBondContact OD1-N 3.2Å; D17-R21 HydrophobicContact CB-CB 4.12Å; D17-R21 WeakPolarHBondContact OD1-CB 3.39Å; D17-R21 PolarHBondContact OD1-N 3.05Å; D17-R21 VanDerWaalsContact OD2-CB 3.29Å; D17-R21 WeakPolarHBondContact OD2-CB 3.4Å; D17-R21 PolarHBondContact OD2-N 3.04Å
18	G	93.1	Very high	92.3	Very high	28 Å²	28	88.5 Å²	88.5	29%	0.289	47%	0.469	S	S	.	.	S	Bend	trans	71.4	1.8	-172.2	0	0	0	0	0	115	Y15	Y15-G18 PolarHBondContact O-N 2.99Å
19	V	94.8	Very high	92.3	Very high	15 Å²	15	82.8 Å²	82.8	9%	0.091	46%	0.455	C	S	.	.	S	Bend	trans	-123.6	-59.3	-173.5	-170.5	0	0	0	0	112.9	Y15 D17 G110 I113 P116 R117	Y15-V19 WeakPolarHBondContact CD2-O 3.42Å; Y15-V19 WeakPolarHBondContact CE2-O 3.3Å; D17-V19 PolarHBondContact O-N 3.23Å; D17-V19 PolarHBondContact OD1-N 3.07Å; V19-G110 VanDerWaalsContact CG1-C 3.41Å; V19-G110 WeakPolarHBondContact CG1-O 3.32Å; V19-I113 HydrophobicContact CG2-CG1 3.89Å; V19-P116 WeakPolarHBondContact O-CA 3.07Å; V19-R117 WeakPolarHBondContact O-CB 3.33Å; V19-R117 PolarHBondContact O-N 3.03Å
20	Y	93.8	Very high	92.4	Very high	93 Å²	93	80.3 Å²	80.3	37%	0.365	45%	0.446	S	S	.	.	S	Bend	trans	-154.7	-15.5	-174.6	70.5	-91.2	0	0	0	115.3	D17 R102	D17-Y20 PolarHBondContact OD1-N 3.2Å; Y20-R102 VanDerWaalsContact O-CZ 3.28Å; Y20-R102 PolarHBondContact O-NH1 3.33Å; Y20-R102 PolarHBondContact O-NH2 3.24Å
21	R	93.4	Very high	92.3	Very high	131 Å²	131	73.6 Å²	73.6	49%	0.494	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-76.2	131.1	-174.3	-169.5	179.1	-85.5	-176.1	-6.4	110.2	Y15 L16 D17	Y15-R21 CarbonylContact C-O 3.16Å; Y15-R21 WeakPolarHBondContact CA-O 3.45Å; Y15-R21 WeakPolarHBondContact CB-O 3.49Å; L16-R21 HydrophobicContact CB-CB 4.45Å; L16-R21 HydrophobicContact CD2-CG 4.38Å; L16-R21 PolarHBondContact N-O 3.42Å; D17-R21 HydrophobicContact CB-CB 4.12Å; D17-R21 WeakPolarHBondContact OD1-CB 3.39Å; D17-R21 PolarHBondContact OD1-N 3.05Å; D17-R21 VanDerWaalsContact OD2-CB 3.29Å; D17-R21 WeakPolarHBondContact OD2-CB 3.4Å; D17-R21 PolarHBondContact OD2-N 3.04Å
22	M	91	Very high	92.2	Very high	49 Å²	49	73 Å²	73	24%	0.241	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-71.6	150	177	-62.5	-169.2	-59.3	0	0	111	Y24 H77 R102	M22-Y24 WeakPolarHBondContact O-CD2 2.83Å; M22-H77 HydrophobicContact CE-CB 3.65Å; M22-H77 WeakPolarHBondContact CE-CD2 3.42Å; M22-H77 WeakPolarHBondContact CE-ND1 3.47Å; M22-R102 HydrophobicContact CE-CG 4.49Å; M22-R102 HydrophobicContact SD-CG 4.48Å
23	N	89.7	Confident	92.3	Very high	62 Å²	62	69.1 Å²	69.1	33%	0.332	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-81.1	117.1	176.2	-172.3	-5.3	0	0	0	110.1	L16 S25 M26	L16-N23 HydrophobicContact CB-CB 4.48Å; N23-S25 WeakPolarHBondContact OD1-CB 3.25Å; N23-S25 PolarHBondContact OD1-N 2.97Å; N23-S25 PolarHBondContact OD1-OG 3.18Å; N23-M26 HydrophobicContact CB-CE 4.33Å
24	Y	85.9	Confident	92.3	Very high	148 Å²	148	70.3 Å²	70.3	58%	0.58	39%	0.389	S	S	*	.			trans	-94.1	-2.7	179.5	-64.8	-77.9	0	0	0	113.8	M22 M26 H77	M22-Y24 WeakPolarHBondContact O-CD2 2.83Å; Y24-M26 PolarHBondContact O-N 3.07Å; Y24-H77 AromaticContact CZ-ND1 3.87Å; Y24-H77 PolarHBondContact OH-CE1 2.9Å; Y24-H77 PolarHBondContact OH-ND1 2.83Å
25	S	88.9	Confident	92.4	Very high	109 Å²	109	72.4 Å²	72.4	76%	0.762	39%	0.385	S	S	*	.	S	Bend	trans	-79	-5	178.7	-51.8	0	0	0	0	113	N23	N23-S25 WeakPolarHBondContact OD1-CB 3.25Å; N23-S25 PolarHBondContact OD1-N 2.97Å; N23-S25 PolarHBondContact OD1-OG 3.18Å
26	M	89.5	Confident	92.5	Very high	129 Å²	129	74.5 Å²	74.5	64%	0.635	40%	0.402	S	S	*	.	S	Bend	trans	-82	152.7	178.9	-66.2	-175.2	178.7	0	0	111.3	N23 Y24	N23-M26 HydrophobicContact CB-CE 4.33Å; Y24-M26 PolarHBondContact O-N 3.07Å
27	P	92	Very high	92.5	Very high	99 Å²	99	78 Å²	78	64%	0.643	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-57.8	155	173.2	26.2	-35.1	0	0	0	110.9
28	S	92.1	Very high	92.4	Very high	22 Å²	22	83.6 Å²	83.6	15%	0.154	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-63.4	146.5	-178.6	93.2	0	0	0	0	110.7	R30 D31 L32 A80	S28-R30 PolarHBondContact O-N 3.17Å; S28-R30 PolarHBondContact OG-N 3.45Å; S28-D31 VanDerWaalsContact CB-OD2 3.26Å; S28-D31 WeakPolarHBondContact CB-OD2 3.28Å; S28-D31 PolarHBondContact O-N 3.11Å; S28-D31 PolarHBondContact OG-N 3.43Å; S28-D31 VanDerWaalsContact OG-N 3.08Å; S28-D31 PolarHBondContact OG-OD1 3Å; S28-D31 VanDerWaalsContact OG-OD1 3.07Å; S28-D31 PolarHBondContact OG-OD2 3.12Å; S28-L32 PolarHBondContact O-N 2.93Å; S28-L32 VanDerWaalsContact O-N 3.09Å; S28-A80 PolarHBondContact OG-O 2.88Å
29	A	93.5	Very high	92.3	Very high	60 Å²	60	84.6 Å²	84.6	50%	0.496	45%	0.446	S	S	.	.	H	α-helix	trans	-61.5	-28	178.2	0	0	0	0	0	112.1	S33 I79	A29-S33 VanDerWaalsContact O-CB 3.28Å; A29-S33 WeakPolarHBondContact O-CB 3.02Å; A29-S33 PolarHBondContact O-N 3.26Å; A29-I79 HydrophobicContact CB-CD1 4.47Å; A29-I79 HydrophobicContact CB-CG2 3.94Å
30	R	94.1	Very high	92.3	Very high	26 Å²	26	88.9 Å²	88.9	10%	0.098	47%	0.474	C	S	.	.	H	α-helix	trans	-72.7	-42.2	177.3	-179.2	54.5	-179.9	164.4	0.5	111.7	S28 S33 N34 I79 D85	S28-R30 PolarHBondContact O-N 3.17Å; S28-R30 PolarHBondContact OG-N 3.45Å; R30-S33 WeakPolarHBondContact O-CB 3.28Å; R30-S33 PolarHBondContact O-N 3.48Å; R30-S33 VanDerWaalsContact O-N 3.13Å; R30-N34 PolarHBondContact NH1-OD1 3.01Å; R30-N34 PolarHBondContact NH2-OD1 3.35Å; R30-N34 PolarHBondContact O-N 3Å; R30-I79 HydrophobicContact CB-CG2 4.19Å; R30-D85 IonicContact CZ-OD1 3.79Å; R30-D85 IonicContact CZ-OD2 2.94Å; R30-D85 VanDerWaalsContact CZ-OD2 3.26Å; R30-D85 IonicContact NE-OD1 3.6Å; R30-D85 IonicContact NE-OD2 3.26Å; R30-D85 PolarHBondContact NE-OD2 3.19Å; R30-D85 IonicContact NH2-OD1 2.96Å; R30-D85 PolarHBondContact NH2-OD1 2.83Å; R30-D85 IonicContact NH2-OD2 3.73Å; R30-D85 PolarHBondContact NH2-OD2 3.37Å
31	D	92.2	Very high	92.1	Very high	40 Å²	40	92.1 Å²	92.1	21%	0.214	50%	0.498	C	S	.	.	H	α-helix	trans	-66.9	-43.6	-179.7	-51.9	-20.2	0	0	0	109.9	S28 S33 N34 L35 E82	S28-D31 VanDerWaalsContact CB-OD2 3.26Å; S28-D31 WeakPolarHBondContact CB-OD2 3.28Å; S28-D31 PolarHBondContact O-N 3.11Å; S28-D31 PolarHBondContact OG-N 3.43Å; S28-D31 VanDerWaalsContact OG-N 3.08Å; S28-D31 PolarHBondContact OG-OD1 3Å; S28-D31 VanDerWaalsContact OG-OD1 3.07Å; S28-D31 PolarHBondContact OG-OD2 3.12Å; D31-S33 VanDerWaalsContact C-N 3.27Å; D31-S33 PolarHBondContact O-N 2.9Å; D31-N34 PolarHBondContact O-N 2.89Å; D31-L35 WeakPolarHBondContact O-CB 3.1Å; D31-L35 PolarHBondContact O-N 2.73Å; D31-E82 WeakPolarHBondContact OD1-CG 3.12Å
32	L	94.1	Very high	92	Very high	92 Å²	92	89.8 Å²	89.8	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-39.1	172.8	-171.7	66.9	0	0	0	111.4	S28 L35 V36	S28-L32 PolarHBondContact O-N 2.93Å; S28-L32 VanDerWaalsContact O-N 3.09Å; L32-L35 PolarHBondContact O-N 3.39Å; L32-V36 HydrophobicContact CD1-CG2 3.78Å; L32-V36 HydrophobicContact CG-CG2 4.22Å; L32-V36 WeakPolarHBondContact O-CB 3.22Å; L32-V36 WeakPolarHBondContact O-CG2 3.35Å; L32-V36 PolarHBondContact O-N 3.04Å
33	S	94.7	Very high	92.1	Very high	40 Å²	40	93.7 Å²	93.7	28%	0.28	54%	0.535	S	S	.	.	H	α-helix	trans	-64.3	-41.4	176.9	178	0	0	0	0	112.7	A29 R30 D31 L35 F37	A29-S33 VanDerWaalsContact O-CB 3.28Å; A29-S33 WeakPolarHBondContact O-CB 3.02Å; A29-S33 PolarHBondContact O-N 3.26Å; R30-S33 WeakPolarHBondContact O-CB 3.28Å; R30-S33 PolarHBondContact O-N 3.48Å; R30-S33 VanDerWaalsContact O-N 3.13Å; D31-S33 VanDerWaalsContact C-N 3.27Å; D31-S33 PolarHBondContact O-N 2.9Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-F37 WeakPolarHBondContact O-CB 3.14Å; S33-F37 PolarHBondContact O-N 2.89Å
34	N	92.6	Very high	92.2	Very high	45 Å²	45	100.1 Å²	100.1	24%	0.241	55%	0.554	C	S	.	*	H	α-helix	trans	-68.2	-34.2	177.1	-75.7	-22.2	0	0	0	111.7	R30 D31 K38 D85	R30-N34 PolarHBondContact NH1-OD1 3.01Å; R30-N34 PolarHBondContact NH2-OD1 3.35Å; R30-N34 PolarHBondContact O-N 3Å; D31-N34 PolarHBondContact O-N 2.89Å; N34-K38 WeakPolarHBondContact O-CB 3.28Å; N34-D85 PolarHBondContact ND2-OD2 2.95Å; N34-D85 VanDerWaalsContact ND2-OD2 3.12Å
35	L	94.2	Very high	92.6	Very high	145 Å²	145	96.4 Å²	96.4	76%	0.759	55%	0.545	S	S	*	.	H	α-helix	trans	-77.1	-39.6	-179.5	-172.9	135.1	0	0	0	112.9	D31 L32 S33	D31-L35 WeakPolarHBondContact O-CB 3.1Å; D31-L35 PolarHBondContact O-N 2.73Å; L32-L35 PolarHBondContact O-N 3.39Å; S33-L35 VanDerWaalsContact C-N 3.32Å
36	V	95.7	Very high	92.9	Very high	85 Å²	85	96.9 Å²	96.9	52%	0.515	55%	0.548	S	S	.	.	H	α-helix	trans	-98.3	-41.8	-172.2	-180	0	0	0	0	113.3	L32	L32-V36 HydrophobicContact CD1-CG2 3.78Å; L32-V36 HydrophobicContact CG-CG2 4.22Å; L32-V36 WeakPolarHBondContact O-CB 3.22Å; L32-V36 WeakPolarHBondContact O-CG2 3.35Å; L32-V36 PolarHBondContact O-N 3.04Å
37	F	93.2	Very high	93.2	Very high	166 Å²	166	100.3 Å²	100.3	73%	0.728	55%	0.554	S	S	*	*	S	Bend	trans	-98.5	-4.3	-170.3	-62.4	-68.7	0	0	0	114.1	S33 G39	S33-F37 WeakPolarHBondContact O-CB 3.14Å; S33-F37 PolarHBondContact O-N 2.89Å; F37-G39 PolarHBondContact O-N 2.68Å
38	K	91.4	Very high	93.3	Very high	171 Å²	171	100.7 Å²	100.7	74%	0.743	55%	0.55	S	S	*	*			trans	-76.1	123.1	175	-172.7	178.8	180	-179.1	0	110	N34	N34-K38 WeakPolarHBondContact O-CB 3.28Å
39	G	91.5	Very high	93.5	Very high	50 Å²	50	102.9 Å²	102.9	52%	0.515	56%	0.56	S	S	.	*			trans	-161.8	173.9	178.3	0	0	0	0	0	111.8	F37	F37-G39 PolarHBondContact O-N 2.68Å
40	P	94.1	Very high	93.4	Very high	104 Å²	104	104.5 Å²	104.5	68%	0.675	56%	0.563	S	S	*	*			trans	-69.8	143.7	173.9	29.1	-32.2	0	0	0	110.8	I43	P40-I43 HydrophobicContact CG-CD1 4.06Å; P40-I43 HydrophobicContact CG-CG1 4.3Å; P40-I43 WeakPolarHBondContact O-CD1 3.35Å; P40-I43 WeakPolarHBondContact O-CG1 3.26Å
41	D	90.4	Very high	93.2	Very high	162 Å²	162	106.5 Å²	106.5	87%	0.866	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	164.8	173.6	-61.7	-36.8	0	0	0	111.4	I43	D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 2.78Å
42	G	91.9	Very high	93.1	Very high	81 Å²	81	110.5 Å²	110.5	84%	0.835	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.9	11.5	172.5	0	0	0	0	0	115.6	R44	G42-R44 PolarHBondContact O-N 3.21Å; G42-R44 VanDerWaalsContact O-N 3.11Å
43	I	92.3	Very high	92.9	Very high	132 Å²	132	112 Å²	112	68%	0.677	61%	0.607	S	S	*	*			trans	-63	113.5	172.4	-56.7	170.7	0	0	0	109.1	P40 D41	P40-I43 HydrophobicContact CG-CD1 4.06Å; P40-I43 HydrophobicContact CG-CG1 4.3Å; P40-I43 WeakPolarHBondContact O-CD1 3.35Å; P40-I43 WeakPolarHBondContact O-CG1 3.26Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 2.78Å
44	R	92.9	Very high	92.6	Very high	197 Å²	197	112.6 Å²	112.6	74%	0.743	62%	0.615	S	S	*	*			trans	-71.1	143.8	179.5	-177.1	176.1	173.7	165.1	2.2	111.1	G42 S46 N48	G42-R44 PolarHBondContact O-N 3.21Å; G42-R44 VanDerWaalsContact O-N 3.11Å; R44-S46 PolarHBondContact O-N 3.33Å; R44-N48 VanDerWaalsContact CZ-OD1 3.28Å; R44-N48 PolarHBondContact NE-OD1 3.06Å; R44-N48 VanDerWaalsContact NE-OD1 3.12Å; R44-N48 PolarHBondContact NH2-OD1 3.32Å
45	N	93.4	Very high	92.2	Very high	70 Å²	70	113.2 Å²	113.2	37%	0.374	62%	0.616	S	S	.	*			trans	-63.2	122.8	171.3	-171	-42.6	0	0	0	111.1	R47 N48 I49	N45-R47 PolarHBondContact O-N 2.79Å; N45-R47 WeakPolarHBondContact OD1-CA 3.2Å; N45-R47 WeakPolarHBondContact OD1-CB 3.48Å; N45-R47 PolarHBondContact OD1-N 3.49Å; N45-N48 PolarHBondContact O-N 2.85Å; N45-N48 VanDerWaalsContact O-N 3.07Å; N45-I49 WeakPolarHBondContact ND2-CB 2.87Å
46	S	95.4	Very high	91.9	Very high	118 Å²	118	111.2 Å²	111.2	83%	0.825	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-21.1	-179.7	57.4	0	0	0	0	114.3	R44	R44-S46 PolarHBondContact O-N 3.33Å
47	R	95.8	Very high	91.6	Very high	202 Å²	202	109.9 Å²	109.9	76%	0.762	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	7.5	177.5	-61.1	-177.6	179.9	-178.8	-0.1	113.4	N45 I49	N45-R47 PolarHBondContact O-N 2.79Å; N45-R47 WeakPolarHBondContact OD1-CA 3.2Å; N45-R47 WeakPolarHBondContact OD1-CB 3.48Å; N45-R47 PolarHBondContact OD1-N 3.49Å; R47-I49 HydrophobicContact CB-CD1 3.94Å; R47-I49 HydrophobicContact CB-CG1 3.91Å; R47-I49 PolarHBondContact O-N 2.64Å
48	N	94.7	Very high	91.3	Very high	106 Å²	106	103.5 Å²	103.5	57%	0.567	57%	0.568	S	S	*	*			trans	55.4	30.3	-177.9	-66.1	-40.9	0	0	0	114.6	R44 N45	R44-N48 VanDerWaalsContact CZ-OD1 3.28Å; R44-N48 PolarHBondContact NE-OD1 3.06Å; R44-N48 VanDerWaalsContact NE-OD1 3.12Å; R44-N48 PolarHBondContact NH2-OD1 3.32Å; N45-N48 PolarHBondContact O-N 2.85Å; N45-N48 VanDerWaalsContact O-N 3.07Å
49	I	94.5	Very high	90.9	Very high	69 Å²	69	96.9 Å²	96.9	35%	0.354	54%	0.54	S	S	.	.			trans	-74.3	137	177.1	-58.9	169	0	0	0	109.4	N45 R47 F53	N45-I49 WeakPolarHBondContact ND2-CB 2.87Å; R47-I49 HydrophobicContact CB-CD1 3.94Å; R47-I49 HydrophobicContact CB-CG1 3.91Å; R47-I49 PolarHBondContact O-N 2.64Å; I49-F53 HydrophobicContact CG2-CB 3.4Å; I49-F53 HydrophobicContact CG2-CD1 3.61Å; I49-F53 HydrophobicContact CG2-CG 3.6Å
50	T	93.2	Very high	90.9	Very high	94 Å²	94	96.7 Å²	96.7	58%	0.577	53%	0.528	S	S	*	.			trans	-76.8	156.7	-179.2	64.1	0	0	0	0	111.8	M52 F53	T50-M52 PolarHBondContact O-N 3.24Å; T50-F53 WeakPolarHBondContact O-CB 3.31Å; T50-F53 PolarHBondContact O-N 2.6Å; T50-F53 VanDerWaalsContact O-N 3.13Å
51	A	89.9	Confident	90.6	Very high	68 Å²	68	93.9 Å²	93.9	56%	0.562	51%	0.514	S	S	*	.	H	α-helix	trans	-59	-28.9	173.6	0	0	0	0	0	112.5	F53 A54 F55	A51-F53 PolarHBondContact O-N 3.2Å; A51-A54 PolarHBondContact O-N 3.24Å; A51-A54 VanDerWaalsContact O-N 3.12Å; A51-F55 HydrophobicContact CB-CE2 4.23Å; A51-F55 WeakPolarHBondContact O-CD2 3.29Å; A51-F55 PolarHBondContact O-N 2.97Å
52	M	89.1	Confident	90.4	Very high	124 Å²	124	90 Å²	90	61%	0.611	49%	0.488	S	S	*	.	H	α-helix	trans	-56.3	-38	176	-176.8	179.2	179.3	0	0	112.3	T50 A54 F55 F56 F193	T50-M52 PolarHBondContact O-N 3.24Å; M52-A54 VanDerWaalsContact C-N 3.33Å; M52-A54 PolarHBondContact O-N 3.12Å; M52-F55 PolarHBondContact O-N 3.25Å; M52-F56 WeakPolarHBondContact O-CB 3.04Å; M52-F56 PolarHBondContact O-N 3.49Å; M52-F193 HydrophobicContact CG-CE1 4.29Å; M52-F193 HydrophobicContact CG-CZ 4.17Å
53	F	90.8	Very high	90.3	Very high	122 Å²	122	86.4 Å²	86.4	54%	0.535	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-39.2	178.4	-178.2	-96.7	0	0	0	112.3	I49 T50 A51 F56 S57	I49-F53 HydrophobicContact CG2-CB 3.4Å; I49-F53 HydrophobicContact CG2-CD1 3.61Å; I49-F53 HydrophobicContact CG2-CG 3.6Å; T50-F53 WeakPolarHBondContact O-CB 3.31Å; T50-F53 PolarHBondContact O-N 2.6Å; T50-F53 VanDerWaalsContact O-N 3.13Å; A51-F53 PolarHBondContact O-N 3.2Å; F53-F56 PolarHBondContact O-N 2.9Å; F53-S57 WeakPolarHBondContact O-CB 3.16Å; F53-S57 PolarHBondContact O-N 2.83Å; F53-S57 PolarHBondContact O-OG 3.34Å
54	A	86.7	Confident	90.3	Very high	54 Å²	54	83.3 Å²	83.3	45%	0.446	43%	0.433	S	S	.	.	H	α-helix	trans	-67.6	-37.7	178.8	0	0	0	0	0	112.3	A51 M52 S57 Q58	A51-A54 PolarHBondContact O-N 3.24Å; A51-A54 VanDerWaalsContact O-N 3.12Å; M52-A54 VanDerWaalsContact C-N 3.33Å; M52-A54 PolarHBondContact O-N 3.12Å; A54-S57 PolarHBondContact O-OG 3.34Å; A54-Q58 PolarHBondContact O-N 3.3Å; A54-Q58 VanDerWaalsContact O-N 3.1Å
55	F	84.5	Confident	90.1	Very high	58 Å²	58	77.5 Å²	77.5	25%	0.254	42%	0.417	S	S	.	.	H	α-helix	trans	-75.1	-35.7	175.9	-63.8	-59.4	0	0	0	112.6	A51 M52 Q58 M59 I189 F193	A51-F55 HydrophobicContact CB-CE2 4.23Å; A51-F55 WeakPolarHBondContact O-CD2 3.29Å; A51-F55 PolarHBondContact O-N 2.97Å; M52-F55 PolarHBondContact O-N 3.25Å; F55-Q58 WeakPolarHBondContact O-CB 3.44Å; F55-Q58 PolarHBondContact O-N 3.33Å; F55-M59 PolarHBondContact O-N 3.39Å; F55-I189 HydrophobicContact CB-CG2 4.47Å; F55-I189 HydrophobicContact CD1-CB 3.96Å; F55-I189 HydrophobicContact CD1-CD1 4.4Å; F55-I189 HydrophobicContact CD1-CG2 3.35Å; F55-I189 HydrophobicContact CD2-CG2 4.09Å; F55-I189 HydrophobicContact CE1-CB 3.81Å; F55-I189 HydrophobicContact CE1-CD1 3.4Å; F55-I189 VanDerWaalsContact CE1-CD1 3.4Å; F55-I189 HydrophobicContact CE1-CG1 4.18Å; F55-I189 HydrophobicContact CE1-CG2 3.44Å; F55-I189 VanDerWaalsContact CE1-CG2 3.44Å; F55-I189 HydrophobicContact CE2-CG2 4.14Å; F55-I189 HydrophobicContact CG-CG2 3.71Å; F55-I189 HydrophobicContact CZ-CB 4.46Å; F55-I189 HydrophobicContact CZ-CD1 3.49Å; F55-I189 VanDerWaalsContact CZ-CD1 3.49Å; F55-I189 HydrophobicContact CZ-CG2 3.84Å; F55-F193 HydrophobicContact CB-CD2 3.85Å; F55-F193 HydrophobicContact CB-CE2 3.22Å; F55-F193 HydrophobicContact CB-CZ 3.71Å; F55-F193 HydrophobicContact CD2-CE2 4.18Å; F55-F193 AromaticContact CG-CE2 3.89Å; F55-F193 HydrophobicContact CG-CE2 3.89Å
56	F	88.3	Confident	89.8	Confident	102 Å²	102	75.6 Å²	75.6	45%	0.447	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-41.3	172.4	-179	-101.3	0	0	0	111.5	M52 F53 Q58 M59 V60	M52-F56 WeakPolarHBondContact O-CB 3.04Å; M52-F56 PolarHBondContact O-N 3.49Å; F53-F56 PolarHBondContact O-N 2.9Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; F56-Q58 PolarHBondContact O-N 3.43Å; F56-M59 HydrophobicContact CD2-CE 3.9Å; F56-M59 HydrophobicContact CE2-CE 3.56Å; F56-M59 HydrophobicContact CZ-CE 4.35Å; F56-M59 WeakPolarHBondContact O-CB 3.4Å; F56-M59 PolarHBondContact O-N 2.96Å; F56-M59 VanDerWaalsContact O-N 3.16Å; F56-V60 HydrophobicContact CD1-CG2 4.23Å; F56-V60 HydrophobicContact CE1-CG2 3.76Å; F56-V60 HydrophobicContact CE2-CG2 4.44Å; F56-V60 HydrophobicContact CZ-CG2 3.88Å; F56-V60 WeakPolarHBondContact O-CG2 3.35Å; F56-V60 PolarHBondContact O-N 3.37Å
57	S	89.8	Confident	89.5	Confident	57 Å²	57	71.4 Å²	71.4	40%	0.399	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-34.4	175.9	67.9	0	0	0	0	112.4	F53 A54 M59 V60 A61	F53-S57 WeakPolarHBondContact O-CB 3.16Å; F53-S57 PolarHBondContact O-N 2.83Å; F53-S57 PolarHBondContact O-OG 3.34Å; A54-S57 PolarHBondContact O-OG 3.34Å; S57-M59 VanDerWaalsContact C-N 3.34Å; S57-V60 PolarHBondContact O-N 3.1Å; S57-A61 WeakPolarHBondContact O-CB 3.47Å; S57-A61 PolarHBondContact O-N 2.65Å
58	Q	86	Confident	88.9	Confident	33 Å²	33	66 Å²	66	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-40.4	171.1	-170.8	-176.8	-0.7	0	0	111.8	A54 F55 F56 A61 Y62 A186 V190	A54-Q58 PolarHBondContact O-N 3.3Å; A54-Q58 VanDerWaalsContact O-N 3.1Å; F55-Q58 WeakPolarHBondContact O-CB 3.44Å; F55-Q58 PolarHBondContact O-N 3.33Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; F56-Q58 PolarHBondContact O-N 3.43Å; Q58-A61 PolarHBondContact O-N 3.01Å; Q58-Y62 HydrophobicContact CG-CD2 4.33Å; Q58-Y62 HydrophobicContact CG-CE2 3.94Å; Q58-Y62 PolarHBondContact NE2-OH 2.71Å; Q58-Y62 PolarHBondContact O-N 2.98Å; Q58-A186 PolarHBondContact NE2-O 2.87Å; Q58-V190 HydrophobicContact CB-CG2 4.41Å; Q58-V190 HydrophobicContact CG-CG2 3.74Å
59	M	83.7	Confident	88.4	Confident	32 Å²	32	63.7 Å²	63.7	16%	0.158	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-50	175	-170.2	-76.2	-74.5	0	0	111	F55 F56 S57 A61 Y62 E63 I131	F55-M59 PolarHBondContact O-N 3.39Å; F56-M59 HydrophobicContact CD2-CE 3.9Å; F56-M59 HydrophobicContact CE2-CE 3.56Å; F56-M59 HydrophobicContact CZ-CE 4.35Å; F56-M59 WeakPolarHBondContact O-CB 3.4Å; F56-M59 PolarHBondContact O-N 2.96Å; F56-M59 VanDerWaalsContact O-N 3.16Å; S57-M59 VanDerWaalsContact C-N 3.34Å; M59-A61 VanDerWaalsContact C-N 3.28Å; M59-A61 PolarHBondContact O-N 3.24Å; M59-Y62 PolarHBondContact O-N 2.72Å; M59-Y62 VanDerWaalsContact O-N 3.15Å; M59-E63 PolarHBondContact O-N 2.87Å; M59-I131 HydrophobicContact CG-CD1 3.69Å; M59-I131 HydrophobicContact SD-CD1 3.95Å; M59-I131 HydrophobicContact SD-CG2 4.15Å
60	V	90.8	Very high	88	Confident	45 Å²	45	63.6 Å²	63.6	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-36.5	176	176.2	0	0	0	0	111.9	F56 S57 E63 I64 I127	F56-V60 HydrophobicContact CD1-CG2 4.23Å; F56-V60 HydrophobicContact CE1-CG2 3.76Å; F56-V60 HydrophobicContact CE2-CG2 4.44Å; F56-V60 HydrophobicContact CZ-CG2 3.88Å; F56-V60 WeakPolarHBondContact O-CG2 3.35Å; F56-V60 PolarHBondContact O-N 3.37Å; S57-V60 PolarHBondContact O-N 3.1Å; V60-E63 WeakPolarHBondContact O-CB 3.5Å; V60-E63 PolarHBondContact O-N 3.39Å; V60-I64 PolarHBondContact O-N 3.39Å; V60-I127 HydrophobicContact CG1-CD1 4.42Å
61	A	89.4	Confident	87.7	Confident	45 Å²	45	59.1 Å²	59.1	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-40	176	0	0	0	0	0	112.3	S57 Q58 M59 E63 I64 L65	S57-A61 WeakPolarHBondContact O-CB 3.47Å; S57-A61 PolarHBondContact O-N 2.65Å; Q58-A61 PolarHBondContact O-N 3.01Å; M59-A61 VanDerWaalsContact C-N 3.28Å; M59-A61 PolarHBondContact O-N 3.24Å; A61-E63 VanDerWaalsContact C-N 3.34Å; A61-I64 PolarHBondContact O-N 3.11Å; A61-L65 WeakPolarHBondContact O-CB 3.14Å; A61-L65 PolarHBondContact O-N 2.87Å
62	Y	85.5	Confident	87.6	Confident	81 Å²	81	60.5 Å²	60.5	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-76.8	-18.8	177.9	-71.3	-15.8	0	0	0	114.5	Q58 M59 R123 V190	Q58-Y62 HydrophobicContact CG-CD2 4.33Å; Q58-Y62 HydrophobicContact CG-CE2 3.94Å; Q58-Y62 PolarHBondContact NE2-OH 2.71Å; Q58-Y62 PolarHBondContact O-N 2.98Å; M59-Y62 PolarHBondContact O-N 2.72Å; M59-Y62 VanDerWaalsContact O-N 3.15Å; Y62-R123 PolarHBondContact O-NE 2.98Å; Y62-V190 HydrophobicContact CD2-CB 4.39Å; Y62-V190 HydrophobicContact CD2-CG1 3.99Å; Y62-V190 HydrophobicContact CD2-CG2 3.93Å; Y62-V190 HydrophobicContact CE2-CB 4.36Å; Y62-V190 HydrophobicContact CE2-CG1 4.44Å; Y62-V190 HydrophobicContact CE2-CG2 3.71Å
63	E	89.5	Confident	87.8	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.023	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-47.4	168.7	177.4	64.9	-170.9	0	0	110.6	M59 V60 A61 I127 D128 G129 S130 I131	M59-E63 PolarHBondContact O-N 2.87Å; V60-E63 WeakPolarHBondContact O-CB 3.5Å; V60-E63 PolarHBondContact O-N 3.39Å; A61-E63 VanDerWaalsContact C-N 3.34Å; E63-I127 HydrophobicContact CG-CB 4.42Å; E63-I127 HydrophobicContact CG-CG1 4.39Å; E63-I127 HydrophobicContact CG-CG2 4.28Å; E63-D128 PolarHBondContact OE1-N 2.95Å; E63-G129 VanDerWaalsContact OE1-CA 3.29Å; E63-G129 WeakPolarHBondContact OE1-CA 3.23Å; E63-G129 PolarHBondContact OE1-N 3.01Å; E63-S130 PolarHBondContact O-OG 2.79Å; E63-S130 PolarHBondContact OE1-N 3.45Å; E63-S130 PolarHBondContact OE2-N 3.46Å; E63-I131 WeakPolarHBondContact OE2-CB 3.22Å; E63-I131 WeakPolarHBondContact OE2-CG2 3.4Å; E63-I131 PolarHBondContact OE2-N 3.03Å
64	I	91.6	Very high	87.8	Confident	67 Å²	67	59 Å²	59	34%	0.344	34%	0.336	S	S	.	.	H	α-helix	trans	-94.5	-16.8	-171.7	66.1	177.6	0	0	0	114.7	V60 A61 N121 T124 I127	V60-I64 PolarHBondContact O-N 3.39Å; A61-I64 PolarHBondContact O-N 3.11Å; I64-N121 PolarHBondContact O-ND2 3.27Å; I64-T124 CarbonylContact C-O 3.49Å; I64-T124 VanDerWaalsContact CA-O 3.3Å; I64-T124 WeakPolarHBondContact CA-O 3.28Å; I64-I127 HydrophobicContact CG2-CG1 3.77Å
65	L	89.3	Confident	88.1	Confident	75 Å²	75	58.1 Å²	58.1	39%	0.393	32%	0.322	S	S	.	.			trans	-145.8	128.3	-169.3	-178.6	67.3	0	0	0	113.6	L7 A61 N121	L7-L65 HydrophobicContact CD1-CD1 4.49Å; L7-L65 HydrophobicContact CD2-CD1 3.47Å; L7-L65 VanDerWaalsContact CD2-CD1 3.47Å; A61-L65 WeakPolarHBondContact O-CB 3.14Å; A61-L65 PolarHBondContact O-N 2.87Å; L65-N121 WeakPolarHBondContact CA-OD1 3.47Å
66	Q	88.2	Confident	88.4	Confident	30 Å²	30	60.1 Å²	60.1	14%	0.14	33%	0.334	C	S	.	.			trans	-145.7	105.8	164	-177.3	174.2	-15	0	0	110.1	E69 N121 H122 R123	Q66-E69 PolarHBondContact NE2-OE1 3.19Å; Q66-N121 PolarHBondContact N-OD1 3.41Å; Q66-H122 HydrophobicContact CB-CB 4.12Å; Q66-H122 HydrophobicContact CG-CB 4.16Å; Q66-H122 WeakPolarHBondContact O-CB 3.45Å; Q66-H122 PolarHBondContact O-CD2 3.35Å; Q66-H122 PolarHBondContact O-N 2.78Å; Q66-R123 HydrophobicContact CB-CB 4.4Å; Q66-R123 HydrophobicContact CB-CG 3.53Å
67	S	87.8	Confident	88.6	Confident	31 Å²	31	56.9 Å²	56.9	22%	0.217	32%	0.32	C	S	.	.			trans	-130.7	23.2	-177.7	59.7	0	0	0	0	113	A103 I120	S67-A103 WeakPolarHBondContact O-CB 3.21Å; S67-I120 WeakPolarHBondContact CB-O 3.4Å
68	T	84.4	Confident	88.7	Confident	87 Å²	87	59.2 Å²	59.2	53%	0.534	32%	0.324	S	S	.	.			trans	-100.2	1.2	-176.6	56.3	0	0	0	0	113.6	R187	T68-R187 PolarHBondContact OG1-NH2 3.21Å; T68-R187 VanDerWaalsContact OG1-NH2 3.08Å
69	E	83.6	Confident	89	Confident	59 Å²	59	59.8 Å²	59.8	28%	0.276	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.5	145	178.4	-64.7	-55.1	145.8	0	0	111.5	Q66 A103 Q104	Q66-E69 PolarHBondContact NE2-OE1 3.19Å; E69-A103 CarbonylContact O-C 3.53Å; E69-A103 VanDerWaalsContact O-CA 3.29Å; E69-A103 WeakPolarHBondContact O-CA 3.5Å; E69-Q104 HydrophobicContact CB-CB 4.34Å; E69-Q104 PolarHBondContact O-N 2.9Å
70	V	86	Confident	89.4	Confident	66 Å²	66	60.9 Å²	60.9	40%	0.4	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-76.1	131.8	-177.2	177.4	0	0	0	0	110.2	L74 L101	V70-L74 HydrophobicContact CG1-CD2 3.3Å; V70-L101 HydrophobicContact CG1-CB 4.4Å; V70-L101 HydrophobicContact CG1-CD1 4.03Å; V70-L101 HydrophobicContact CG2-CB 4.37Å; V70-L101 HydrophobicContact CG2-CD1 3.93Å
71	S	86.5	Confident	89.5	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-77.1	150.5	176.7	-160.7	0	0	0	0	112.9	P73 R102 Y105 K107	S71-P73 CarbonylContact C-O 3.51Å; S71-P73 CarbonylContact O-C 3.6Å; S71-P73 VanDerWaalsContact O-O 3.07Å; S71-R102 PolarHBondContact N-O 2.86Å; S71-Y105 VanDerWaalsContact OG-CD1 3.27Å; S71-Y105 WeakPolarHBondContact OG-CD1 3.39Å; S71-Y105 WeakPolarHBondContact OG-CE1 3.29Å; S71-K107 PolarHBondContact OG-NZ 2.77Å; S71-K107 VanDerWaalsContact OG-NZ 3.1Å
72	C	88.7	Confident	89.7	Confident	97 Å²	97	62.4 Å²	62.4	66%	0.655	34%	0.339	S	S	*	.	S	Bend	trans	-109.4	126.1	163.9	-66.1	0	0	0	0	109.3	K107	C72-K107 WeakPolarHBondContact O-CE 3.29Å; C72-K107 PolarHBondContact O-NZ 2.73Å
73	P	92.4	Very high	90.1	Very high	90 Å²	90	65.4 Å²	65.4	58%	0.584	35%	0.354	S	S	*	.	S	Bend	cis	-67.3	156.5	0.3	31.1	-36.7	0	0	0	112.3	S71 E75	S71-P73 CarbonylContact C-O 3.51Å; S71-P73 CarbonylContact O-C 3.6Å; S71-P73 VanDerWaalsContact O-O 3.07Å; P73-E75 PolarHBondContact O-N 3.23Å
74	L	92	Very high	90.3	Very high	125 Å²	125	68.1 Å²	68.1	65%	0.654	37%	0.373	S	S	*	.			trans	-66	114.1	177.7	-66.1	175.1	0	0	0	109.8	V70	V70-L74 HydrophobicContact CG1-CD2 3.3Å
75	E	92.6	Very high	90.3	Very high	35 Å²	35	65.1 Å²	65.1	16%	0.164	36%	0.357	C	S	.	.			trans	-105.5	96.5	174.6	-69.3	-178.8	-144.5	0	0	109	P73 R102 R117	P73-E75 PolarHBondContact O-N 3.23Å; E75-R102 HydrophobicContact CB-CB 4.1Å; E75-R102 HydrophobicContact CB-CG 4.19Å; E75-R102 PolarHBondContact O-N 3.43Å; E75-R102 VanDerWaalsContact OE2-CD 3.3Å; E75-R102 WeakPolarHBondContact OE2-CD 3.49Å; E75-R102 IonicContact OE2-CZ 3.53Å; E75-R102 IonicContact OE2-NE 2.7Å; E75-R102 IonicContact OE2-NH1 3.45Å; E75-R102 PolarHBondContact OE2-NH1 2.82Å; E75-R117 IonicContact OE1-CZ 2.71Å; E75-R117 VanDerWaalsContact OE1-CZ 3.29Å; E75-R117 IonicContact OE1-NH1 3.67Å; E75-R117 PolarHBondContact OE1-NH1 3.18Å; E75-R117 IonicContact OE1-NH2 3.01Å; E75-R117 PolarHBondContact OE1-NH2 3.47Å; E75-R117 IonicContact OE2-CZ 3.29Å; E75-R117 IonicContact OE2-NH1 2.94Å; E75-R117 PolarHBondContact OE2-NH1 3.04Å; E75-R117 IonicContact OE2-NH2 2.8Å; E75-R117 PolarHBondContact OE2-NH2 3.28Å
76	M	91.2	Very high	90.4	Very high	100 Å²	100	66.4 Å²	66.4	49%	0.493	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.1	179	-172.2	179.7	-71.4	0	0	111.2	P99 L101	M76-P99 HydrophobicContact SD-CB 4.35Å; M76-L101 HydrophobicContact CB-CD2 3.91Å; M76-L101 HydrophobicContact CE-CD2 4.1Å; M76-L101 HydrophobicContact CG-CD2 4.28Å
77	H	91	Very high	90.5	Very high	34 Å²	34	70.6 Å²	70.6	16%	0.157	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.6	171.3	-63.2	-88.4	0	0	0	109	M22 Y24 F100 R102	M22-H77 HydrophobicContact CE-CB 3.65Å; M22-H77 WeakPolarHBondContact CE-CD2 3.42Å; M22-H77 WeakPolarHBondContact CE-ND1 3.47Å; Y24-H77 AromaticContact CZ-ND1 3.87Å; Y24-H77 PolarHBondContact OH-CE1 2.9Å; Y24-H77 PolarHBondContact OH-ND1 2.83Å; H77-F100 HydrophobicContact CB-CD1 4.4Å; H77-F100 PolarHBondContact N-O 3.43Å; H77-F100 CarbonylContact O-C 3.34Å; H77-F100 WeakPolarHBondContact O-CA 3.41Å; H77-F100 VanDerWaalsContact O-CB 3.28Å; H77-F100 WeakPolarHBondContact O-CB 3.47Å; H77-F100 PolarHBondContact O-N 2.99Å; H77-R102 VanDerWaalsContact NE2-CD 3.28Å; H77-R102 WeakPolarHBondContact NE2-CD 3.41Å
78	H	92.3	Very high	90.5	Very high	106 Å²	106	71.6 Å²	71.6	49%	0.491	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126	-178.9	-70.3	91.3	0	0	0	108.9	A80 K97 I98	H78-A80 PolarHBondContact O-N 2.81Å; H78-K97 HydrophobicContact CB-CB 4Å; H78-K97 HydrophobicContact CB-CD 3.86Å; H78-K97 HydrophobicContact CB-CG 4.35Å; H78-I98 WeakPolarHBondContact CA-O 3.3Å
79	I	93	Very high	90.9	Very high	45 Å²	45	67.7 Å²	67.7	23%	0.231	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.7	167.7	-55.8	169.2	0	0	0	106.3	A29 R30 I98 F100	A29-I79 HydrophobicContact CB-CD1 4.47Å; A29-I79 HydrophobicContact CB-CG2 3.94Å; R30-I79 HydrophobicContact CB-CG2 4.19Å; I79-I98 HydrophobicContact CB-CB 4.2Å; I79-I98 PolarHBondContact N-O 3.11Å; I79-I98 PolarHBondContact O-N 3.13Å; I79-F100 HydrophobicContact CD1-CB 4.08Å; I79-F100 HydrophobicContact CG1-CB 4.08Å
80	A	91.8	Very high	91.3	Very high	55 Å²	55	69.4 Å²	69.4	46%	0.455	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	139.6	174.9	0	0	0	0	0	109.7	S28 H78	S28-A80 PolarHBondContact OG-O 2.88Å; H78-A80 PolarHBondContact O-N 2.81Å
81	V	93.4	Very high	91.7	Very high	14 Å²	14	75.3 Å²	75.3	9%	0.085	41%	0.405	C	S	.	.			trans	-114.3	130.3	175.2	178.6	0	0	0	0	107.2	D85 F88 D89 T96 I98	V81-D85 HydrophobicContact CG1-CB 3.41Å; V81-D85 VanDerWaalsContact CG1-CB 3.41Å; V81-F88 HydrophobicContact CG1-CB 3.76Å; V81-F88 HydrophobicContact CG2-CB 4.25Å; V81-D89 HydrophobicContact CG1-CB 4.32Å; V81-T96 HydrophobicContact CB-CG2 4.49Å; V81-T96 HydrophobicContact CG2-CG2 4.29Å; V81-I98 HydrophobicContact CG2-CD1 3.8Å; V81-I98 HydrophobicContact CG2-CG1 3.71Å
82	E	92.7	Very high	92	Very high	107 Å²	107	77.7 Å²	77.7	50%	0.5	42%	0.421	S	S	.	.			trans	-58.3	143.6	173.8	-89	174.9	-178.9	0	0	111.7	D31 C84 D85	D31-E82 WeakPolarHBondContact OD1-CG 3.12Å; E82-C84 PolarHBondContact O-N 2.9Å; E82-D85 WeakPolarHBondContact O-CB 3.11Å; E82-D85 PolarHBondContact O-N 3.32Å; E82-D85 VanDerWaalsContact O-N 3.07Å
83	K	93.7	Very high	92.2	Very high	144 Å²	144	76 Å²	76	63%	0.626	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	135.1	174.8	-176.7	-178.7	179	-174.9	0	108.8	D85 C92	K83-D85 VanDerWaalsContact C-N 3.3Å; K83-C92 WeakPolarHBondContact CE-O 3.34Å
84	C	93.7	Very high	92.1	Very high	62 Å²	62	73.6 Å²	73.6	42%	0.419	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	23.9	-176.1	-54.5	0	0	0	0	114.5	E82 D89 C92	E82-C84 PolarHBondContact O-N 2.9Å; C84-D89 WeakPolarHBondContact CA-O 3.17Å; C84-D89 PolarHBondContact N-OD2 3.02Å; C84-D89 VanDerWaalsContact N-OD2 3.13Å; C84-C92 VanDerWaalsContact CA-SG 3.56Å; C84-C92 HydrophobicContact CB-CB 4.12Å; C84-C92 WeakPolarHBondContact CB-SG 3.29Å; C84-C92 WeakPolarHBondContact SG-CB 3.45Å; C84-C92 CovalentContact SG-SG 2.03Å; C84-C92 PolarHBondContact SG-SG 3.34Å
85	D	93.2	Very high	92.1	Very high	4 Å²	4	76.2 Å²	76.2	2%	0.021	41%	0.409	C	S	.	.			trans	-55.8	125.2	169	-177.2	-77.6	0	0	0	109.6	R30 N34 V81 E82 K83 I87 F88 D89	R30-D85 IonicContact CZ-OD1 3.79Å; R30-D85 IonicContact CZ-OD2 2.94Å; R30-D85 VanDerWaalsContact CZ-OD2 3.26Å; R30-D85 IonicContact NE-OD1 3.6Å; R30-D85 IonicContact NE-OD2 3.26Å; R30-D85 PolarHBondContact NE-OD2 3.19Å; R30-D85 IonicContact NH2-OD1 2.96Å; R30-D85 PolarHBondContact NH2-OD1 2.83Å; R30-D85 IonicContact NH2-OD2 3.73Å; R30-D85 PolarHBondContact NH2-OD2 3.37Å; N34-D85 PolarHBondContact ND2-OD2 2.95Å; N34-D85 VanDerWaalsContact ND2-OD2 3.12Å; V81-D85 HydrophobicContact CG1-CB 3.41Å; V81-D85 VanDerWaalsContact CG1-CB 3.41Å; E82-D85 WeakPolarHBondContact O-CB 3.11Å; E82-D85 PolarHBondContact O-N 3.32Å; E82-D85 VanDerWaalsContact O-N 3.07Å; K83-D85 VanDerWaalsContact C-N 3.3Å; D85-I87 PolarHBondContact O-N 3.42Å; D85-I87 VanDerWaalsContact O-N 3.09Å; D85-I87 PolarHBondContact OD1-N 2.68Å; D85-F88 PolarHBondContact OD1-N 2.95Å; D85-D89 HydrophobicContact CB-CB 4.35Å; D85-D89 CarbonylContact O-C 3.01Å; D85-D89 WeakPolarHBondContact O-CA 3.26Å; D85-D89 PolarHBondContact O-N 3.37Å
86	P	90.5	Very high	92.1	Very high	102 Å²	102	76.7 Å²	76.7	66%	0.662	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.5	-170.2	24.5	-34.9	0	0	0	113.6
87	I	89.3	Confident	92.1	Very high	118 Å²	118	78.1 Å²	78.1	61%	0.605	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-49.1	-176.1	-64.8	173	0	0	0	110.3	D85	D85-I87 PolarHBondContact O-N 3.42Å; D85-I87 VanDerWaalsContact O-N 3.09Å; D85-I87 PolarHBondContact OD1-N 2.68Å
88	F	89.8	Confident	92.1	Very high	53 Å²	53	78 Å²	78	23%	0.232	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-29.2	-171	-66.1	-76.4	0	0	0	113.7	V81 D85 P90 T96 I98 G181	V81-F88 HydrophobicContact CG1-CB 3.76Å; V81-F88 HydrophobicContact CG2-CB 4.25Å; D85-F88 PolarHBondContact OD1-N 2.95Å; F88-P90 VanDerWaalsContact C-CD 3.41Å; F88-T96 HydrophobicContact CB-CG2 4.28Å; F88-T96 WeakPolarHBondContact O-CG2 3.35Å; F88-I98 HydrophobicContact CD1-CD1 3.91Å; F88-I98 HydrophobicContact CD1-CG1 4.01Å; F88-I98 HydrophobicContact CD2-CD1 3.94Å; F88-I98 HydrophobicContact CE1-CD1 3.8Å; F88-I98 HydrophobicContact CE1-CG1 4.13Å; F88-I98 HydrophobicContact CE2-CD1 3.83Å; F88-I98 HydrophobicContact CG-CD1 3.98Å; F88-I98 HydrophobicContact CG-CG1 4.35Å; F88-I98 HydrophobicContact CZ-CD1 3.76Å; F88-G181 WeakPolarHBondContact CE1-O 3.06Å
89	D	92.4	Very high	92.1	Very high	4 Å²	4	76.7 Å²	76.7	2%	0.021	42%	0.418	C	S	.	.			trans	-128.4	57.7	178.6	-172.9	36.1	0	0	0	112.6	V81 C84 D85 K91 C92 S93 G94 T96	V81-D89 HydrophobicContact CG1-CB 4.32Å; C84-D89 WeakPolarHBondContact CA-O 3.17Å; C84-D89 PolarHBondContact N-OD2 3.02Å; C84-D89 VanDerWaalsContact N-OD2 3.13Å; D85-D89 HydrophobicContact CB-CB 4.35Å; D85-D89 CarbonylContact O-C 3.01Å; D85-D89 WeakPolarHBondContact O-CA 3.26Å; D85-D89 PolarHBondContact O-N 3.37Å; D89-K91 PolarHBondContact O-N 3.47Å; D89-C92 PolarHBondContact O-N 3.17Å; D89-C92 VanDerWaalsContact OD2-C 3.29Å; D89-C92 WeakPolarHBondContact OD2-CA 3.09Å; D89-S93 VanDerWaalsContact CG-N 3.31Å; D89-S93 WeakPolarHBondContact OD1-CB 3.25Å; D89-S93 PolarHBondContact OD1-N 2.86Å; D89-S93 PolarHBondContact OD1-OG 2.76Å; D89-S93 PolarHBondContact OD2-N 3.44Å; D89-G94 PolarHBondContact OD2-N 3.18Å; D89-T96 PolarHBondContact OD1-OG1 3.26Å
90	P	91.7	Very high	92	Very high	95 Å²	95	79.3 Å²	79.3	62%	0.617	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.1	-177.4	27.3	-36.1	0	0	0	113.2	F88 C92	F88-P90 VanDerWaalsContact C-CD 3.41Å; P90-C92 VanDerWaalsContact C-N 3.33Å
91	K	93.4	Very high	91.9	Very high	190 Å²	190	79.7 Å²	79.7	83%	0.826	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.8	177	-64.1	-175.4	-179	-179.2	0	113.1	D89 S93	D89-K91 PolarHBondContact O-N 3.47Å; K91-S93 PolarHBondContact O-N 3.36Å; K91-S93 VanDerWaalsContact O-N 3.15Å
92	C	93	Very high	91.9	Very high	52 Å²	52	79.8 Å²	79.8	35%	0.351	42%	0.421	S	S	.	.			trans	54	33.3	-179.8	-70.9	0	0	0	0	113.8	K83 C84 D89 P90 G94	K83-C92 WeakPolarHBondContact CE-O 3.34Å; C84-C92 VanDerWaalsContact CA-SG 3.56Å; C84-C92 HydrophobicContact CB-CB 4.12Å; C84-C92 WeakPolarHBondContact CB-SG 3.29Å; C84-C92 WeakPolarHBondContact SG-CB 3.45Å; C84-C92 CovalentContact SG-SG 2.03Å; C84-C92 PolarHBondContact SG-SG 3.34Å; D89-C92 PolarHBondContact O-N 3.17Å; D89-C92 VanDerWaalsContact OD2-C 3.29Å; D89-C92 WeakPolarHBondContact OD2-CA 3.09Å; P90-C92 VanDerWaalsContact C-N 3.33Å; C92-G94 VanDerWaalsContact C-N 3.28Å; C92-G94 PolarHBondContact O-N 2.9Å
93	S	93	Very high	91.9	Very high	60 Å²	60	76 Å²	76	42%	0.42	41%	0.409	S	S	.	.			trans	-68.3	-29.4	-177.1	71.4	0	0	0	0	112.5	D89 K91 K95	D89-S93 VanDerWaalsContact CG-N 3.31Å; D89-S93 WeakPolarHBondContact OD1-CB 3.25Å; D89-S93 PolarHBondContact OD1-N 2.86Å; D89-S93 PolarHBondContact OD1-OG 2.76Å; D89-S93 PolarHBondContact OD2-N 3.44Å; K91-S93 PolarHBondContact O-N 3.36Å; K91-S93 VanDerWaalsContact O-N 3.15Å; S93-K95 PolarHBondContact O-N 2.68Å; S93-K95 PolarHBondContact OG-N 2.83Å
94	G	91.6	Very high	91.8	Very high	41 Å²	41	72.1 Å²	72.1	42%	0.423	39%	0.393	S	S	.	.	S	Bend	trans	64.9	10.6	-173.3	0	0	0	0	0	114.2	D89 C92	D89-G94 PolarHBondContact OD2-N 3.18Å; C92-G94 VanDerWaalsContact C-N 3.28Å; C92-G94 PolarHBondContact O-N 2.9Å
95	K	91.1	Very high	91.8	Very high	180 Å²	180	70.5 Å²	70.5	78%	0.783	38%	0.378	S	S	*	.			trans	-111	-9.2	-178.3	-67	-178.1	-177.9	179.7	0	113.1	S93	S93-K95 PolarHBondContact O-N 2.68Å; S93-K95 PolarHBondContact OG-N 2.83Å
96	T	92.1	Very high	91.9	Very high	44 Å²	44	71.8 Å²	71.8	27%	0.27	39%	0.385	S	S	.	.			trans	-64.2	136.7	-179.7	-55.9	0	0	0	0	111	V81 F88 D89	V81-T96 HydrophobicContact CB-CG2 4.49Å; V81-T96 HydrophobicContact CG2-CG2 4.29Å; F88-T96 HydrophobicContact CB-CG2 4.28Å; F88-T96 WeakPolarHBondContact O-CG2 3.35Å; D89-T96 PolarHBondContact OD1-OG1 3.26Å
97	K	92.1	Very high	92	Very high	131 Å²	131	71.2 Å²	71.2	57%	0.57	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	140.9	174.5	-66.4	-178.5	-174.7	-177.6	0	108.9	H78	H78-K97 HydrophobicContact CB-CB 4Å; H78-K97 HydrophobicContact CB-CD 3.86Å; H78-K97 HydrophobicContact CB-CG 4.35Å
98	I	90.9	Very high	92.2	Very high	32 Å²	32	68.3 Å²	68.3	16%	0.164	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.8	175.2	-59	163.3	0	0	0	107.8	H78 I79 V81 F88	H78-I98 WeakPolarHBondContact CA-O 3.3Å; I79-I98 HydrophobicContact CB-CB 4.2Å; I79-I98 PolarHBondContact N-O 3.11Å; I79-I98 PolarHBondContact O-N 3.13Å; V81-I98 HydrophobicContact CG2-CD1 3.8Å; V81-I98 HydrophobicContact CG2-CG1 3.71Å; F88-I98 HydrophobicContact CD1-CD1 3.91Å; F88-I98 HydrophobicContact CD1-CG1 4.01Å; F88-I98 HydrophobicContact CD2-CD1 3.94Å; F88-I98 HydrophobicContact CE1-CD1 3.8Å; F88-I98 HydrophobicContact CE1-CG1 4.13Å; F88-I98 HydrophobicContact CE2-CD1 3.83Å; F88-I98 HydrophobicContact CG-CD1 3.98Å; F88-I98 HydrophobicContact CG-CG1 4.35Å; F88-I98 HydrophobicContact CZ-CD1 3.76Å
99	P	91.6	Very high	92.4	Very high	77 Å²	77	65.9 Å²	65.9	50%	0.5	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.1	177.1	29.3	-33.5	0	0	0	110.2	M76	M76-P99 HydrophobicContact SD-CB 4.35Å
100	F	90.4	Very high	92.4	Very high	100 Å²	100	66.2 Å²	66.2	44%	0.439	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.8	174.9	172.9	-101.3	0	0	0	109.4	H77 I79	H77-F100 HydrophobicContact CB-CD1 4.4Å; H77-F100 PolarHBondContact N-O 3.43Å; H77-F100 CarbonylContact O-C 3.34Å; H77-F100 WeakPolarHBondContact O-CA 3.41Å; H77-F100 VanDerWaalsContact O-CB 3.28Å; H77-F100 WeakPolarHBondContact O-CB 3.47Å; H77-F100 PolarHBondContact O-N 2.99Å; I79-F100 HydrophobicContact CD1-CB 4.08Å; I79-F100 HydrophobicContact CG1-CB 4.08Å
101	L	91	Very high	92.3	Very high	63 Å²	63	69.5 Å²	69.5	33%	0.33	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.4	178.8	-70.3	167.8	0	0	0	109.5	V70 M76	V70-L101 HydrophobicContact CG1-CB 4.4Å; V70-L101 HydrophobicContact CG1-CD1 4.03Å; V70-L101 HydrophobicContact CG2-CB 4.37Å; V70-L101 HydrophobicContact CG2-CD1 3.93Å; M76-L101 HydrophobicContact CB-CD2 3.91Å; M76-L101 HydrophobicContact CE-CD2 4.1Å; M76-L101 HydrophobicContact CG-CD2 4.28Å
102	R	92.7	Very high	92.1	Very high	16 Å²	16	61.8 Å²	61.8	6%	0.06	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72.7	139.7	175.8	-65.7	-176.3	68.2	179.7	15.6	111.2	Y20 M22 S71 E75 H77	Y20-R102 VanDerWaalsContact O-CZ 3.28Å; Y20-R102 PolarHBondContact O-NH1 3.33Å; Y20-R102 PolarHBondContact O-NH2 3.24Å; M22-R102 HydrophobicContact CE-CG 4.49Å; M22-R102 HydrophobicContact SD-CG 4.48Å; S71-R102 PolarHBondContact N-O 2.86Å; E75-R102 HydrophobicContact CB-CB 4.1Å; E75-R102 HydrophobicContact CB-CG 4.19Å; E75-R102 PolarHBondContact O-N 3.43Å; E75-R102 VanDerWaalsContact OE2-CD 3.3Å; E75-R102 WeakPolarHBondContact OE2-CD 3.49Å; E75-R102 IonicContact OE2-CZ 3.53Å; E75-R102 IonicContact OE2-NE 2.7Å; E75-R102 IonicContact OE2-NH1 3.45Å; E75-R102 PolarHBondContact OE2-NH1 2.82Å; H77-R102 VanDerWaalsContact NE2-CD 3.28Å; H77-R102 WeakPolarHBondContact NE2-CD 3.41Å
103	A	92	Very high	92	Very high	29 Å²	29	65.5 Å²	65.5	24%	0.24	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-57.2	151.8	173	0	0	0	0	0	112.7	S67 E69 Q119	S67-A103 WeakPolarHBondContact O-CB 3.21Å; E69-A103 CarbonylContact O-C 3.53Å; E69-A103 VanDerWaalsContact O-CA 3.29Å; E69-A103 WeakPolarHBondContact O-CA 3.5Å; A103-Q119 HydrophobicContact CB-CG 4.21Å
104	Q	92.9	Very high	92	Very high	62 Å²	62	70.6 Å²	70.6	29%	0.29	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-57.6	144.5	170.7	-170.7	167.2	-2.8	0	0	111.4	E69 I120 H122	E69-Q104 HydrophobicContact CB-CB 4.34Å; E69-Q104 PolarHBondContact O-N 2.9Å; Q104-I120 HydrophobicContact CG-CD1 4.43Å; Q104-I120 PolarHBondContact O-N 2.76Å; Q104-H122 PolarHBondContact OE1-CE1 2.9Å; Q104-H122 PolarHBondContact OE1-NE2 3.45Å; Q104-H122 VanDerWaalsContact OE1-NE2 3.11Å
105	Y	94.1	Very high	92	Very high	27 Å²	27	71.4 Å²	71.4	11%	0.106	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-140.9	159.6	-176.1	68.4	-92.3	0	0	0	110.4	S71 K107 R117 E118	S71-Y105 VanDerWaalsContact OG-CD1 3.27Å; S71-Y105 WeakPolarHBondContact OG-CD1 3.39Å; S71-Y105 WeakPolarHBondContact OG-CE1 3.29Å; Y105-K107 HydrophobicContact CD2-CD 4.35Å; Y105-K107 VanDerWaalsContact CE1-NZ 3.3Å; Y105-K107 HydrophobicContact CE2-CD 3.8Å; Y105-K107 PolarHBondContact O-N 3.32Å; Y105-K107 PolarHBondContact OH-NZ 2.95Å; Y105-R117 HydrophobicContact CD1-CG 4.41Å; Y105-R117 HydrophobicContact CD2-CG 3.79Å; Y105-R117 VanDerWaalsContact CE1-CZ 3.5Å; Y105-R117 HydrophobicContact CG-CG 3.72Å; Y105-E118 CarbonylContact C-O 3.51Å; Y105-E118 WeakPolarHBondContact CA-O 3.3Å; Y105-E118 VanDerWaalsContact CB-O 3.23Å; Y105-E118 WeakPolarHBondContact CB-O 3.27Å
106	D	94.6	Very high	92.2	Very high	32 Å²	32	64 Å²	64	17%	0.171	34%	0.34	C	S	.	.			trans	-69.3	118.8	176.9	-175.7	-12	0	0	0	110.3	R6 S108 T109 E118 I120	R6-D106 HydrophobicContact CG-CB 4.27Å; R6-D106 IonicContact CZ-OD2 2.9Å; R6-D106 VanDerWaalsContact CZ-OD2 3.25Å; R6-D106 IonicContact NE-OD2 3.68Å; R6-D106 PolarHBondContact NE-OD2 2.94Å; R6-D106 IonicContact NH2-OD2 3.06Å; R6-D106 PolarHBondContact NH2-OD2 3.36Å; D106-S108 PolarHBondContact O-N 2.81Å; D106-S108 WeakPolarHBondContact OD1-CB 3.12Å; D106-S108 PolarHBondContact OD1-N 2.91Å; D106-S108 PolarHBondContact OD1-OG 2.93Å; D106-S108 PolarHBondContact OD2-OG 3.45Å; D106-T109 HydrophobicContact CB-CG2 3.96Å; D106-T109 WeakPolarHBondContact O-CA 3.31Å; D106-T109 PolarHBondContact O-N 3.48Å; D106-T109 PolarHBondContact O-OG1 2.8Å; D106-E118 PolarHBondContact N-O 2.7Å; D106-I120 HydrophobicContact CB-CD1 4.28Å; D106-I120 HydrophobicContact CB-CG1 4.11Å
107	K	92.7	Very high	92.4	Very high	90 Å²	90	62.4 Å²	62.4	39%	0.391	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.1	-178.2	-58.2	-50	-173.3	-170.2	0	113.7	S71 C72 Y105 T109 Q111	S71-K107 PolarHBondContact OG-NZ 2.77Å; S71-K107 VanDerWaalsContact OG-NZ 3.1Å; C72-K107 WeakPolarHBondContact O-CE 3.29Å; C72-K107 PolarHBondContact O-NZ 2.73Å; Y105-K107 HydrophobicContact CD2-CD 4.35Å; Y105-K107 VanDerWaalsContact CE1-NZ 3.3Å; Y105-K107 HydrophobicContact CE2-CD 3.8Å; Y105-K107 PolarHBondContact O-N 3.32Å; Y105-K107 PolarHBondContact OH-NZ 2.95Å; K107-T109 PolarHBondContact O-N 3.38Å; K107-Q111 PolarHBondContact O-NE2 3.15Å
108	S	93.1	Very high	92.5	Very high	57 Å²	57	58 Å²	58	40%	0.399	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.7	170.2	69	0	0	0	0	113.5	R6 D106 N115	R6-S108 PolarHBondContact NH2-OG 3.43Å; D106-S108 PolarHBondContact O-N 2.81Å; D106-S108 WeakPolarHBondContact OD1-CB 3.12Å; D106-S108 PolarHBondContact OD1-N 2.91Å; D106-S108 PolarHBondContact OD1-OG 2.93Å; D106-S108 PolarHBondContact OD2-OG 3.45Å; S108-N115 PolarHBondContact O-ND2 3.42Å
109	T	93.9	Very high	92.7	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.012	31%	0.312	C	S	.	.	S	Bend	trans	-119	168.3	179.5	73.9	0	0	0	0	112.1	R6 D106 K107 P116 E118	R6-T109 VanDerWaalsContact CZ-CG2 3.44Å; D106-T109 HydrophobicContact CB-CG2 3.96Å; D106-T109 WeakPolarHBondContact O-CA 3.31Å; D106-T109 PolarHBondContact O-N 3.48Å; D106-T109 PolarHBondContact O-OG1 2.8Å; K107-T109 PolarHBondContact O-N 3.38Å; T109-P116 WeakPolarHBondContact CB-O 3.36Å; T109-E118 HydrophobicContact CG2-CB 4.23Å; T109-E118 HydrophobicContact CG2-CG 4.31Å; T109-E118 PolarHBondContact OG1-N 3.37Å
110	G	91.6	Very high	92.8	Very high	11 Å²	11	55.7 Å²	55.7	11%	0.113	29%	0.292	C	S	.	.	S	Bend	trans	77.8	23	176.3	0	0	0	0	0	114.6	V19 N115	V19-G110 VanDerWaalsContact CG1-C 3.41Å; V19-G110 WeakPolarHBondContact CG1-O 3.32Å; G110-N115 WeakPolarHBondContact CA-O 3.47Å; G110-N115 PolarHBondContact N-O 3.45Å
111	Q	89.9	Confident	92.9	Very high	163 Å²	163	51 Å²	51	76%	0.762	27%	0.272	S	S	*	.	S	Bend	trans	-105	-11.3	179.4	-60.5	-176.7	4	0	0	113.4	K107	K107-Q111 PolarHBondContact O-NE2 3.15Å
112	G	90.1	Very high	92.8	Very high	28 Å²	28	50.1 Å²	50.1	29%	0.289	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-167.8	169.1	179.3	0	0	0	0	0	113	N114 N115	G112-N114 VanDerWaalsContact C-N 3.26Å; G112-N114 PolarHBondContact O-N 2.71Å; G112-N115 CarbonylContact O-C 3.44Å; G112-N115 PolarHBondContact O-N 3.3Å
113	I	90.8	Very high	92.6	Very high	130 Å²	130	51.5 Å²	51.5	67%	0.667	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.5	-174	-62.1	169.1	0	0	0	111.9	V19 N115	V19-I113 HydrophobicContact CG2-CG1 3.89Å; I113-N115 VanDerWaalsContact C-N 3.28Å; I113-N115 PolarHBondContact O-N 2.92Å
114	N	92.1	Very high	92.6	Very high	167 Å²	167	50.7 Å²	50.7	89%	0.893	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.4	179.3	-64	-21	0	0	0	113.6	G112	G112-N114 VanDerWaalsContact C-N 3.26Å; G112-N114 PolarHBondContact O-N 2.71Å
115	N	93.2	Very high	92.6	Very high	59 Å²	59	50.1 Å²	50.1	32%	0.316	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-143.1	67.8	-179.1	-173.8	20.4	0	0	0	109.4	S108 G110 G112 I113	S108-N115 PolarHBondContact O-ND2 3.42Å; G110-N115 WeakPolarHBondContact CA-O 3.47Å; G110-N115 PolarHBondContact N-O 3.45Å; G112-N115 CarbonylContact O-C 3.44Å; G112-N115 PolarHBondContact O-N 3.3Å; I113-N115 VanDerWaalsContact C-N 3.28Å; I113-N115 PolarHBondContact O-N 2.92Å
116	P	95.1	Very high	92.5	Very high	24 Å²	24	56.4 Å²	56.4	16%	0.156	29%	0.29	C	S	.	.			trans	-65.9	166.1	-177.8	30.1	-36.2	0	0	0	111.1	S13 Y15 V19 T109 E118	S13-P116 WeakPolarHBondContact OG-CB 3.49Å; S13-P116 WeakPolarHBondContact OG-CG 3.45Å; Y15-P116 HydrophobicContact CD2-CB 4.34Å; V19-P116 WeakPolarHBondContact O-CA 3.07Å; T109-P116 WeakPolarHBondContact CB-O 3.36Å; P116-E118 PolarHBondContact O-N 2.85Å
117	R	95.3	Very high	92.4	Very high	10 Å²	10	61.3 Å²	61.3	4%	0.038	32%	0.315	C	S	.	.			trans	-63.8	132	-174.2	-177.8	178.6	-70.7	-166.3	1.6	112.2	R9 Y15 V19 E75 Y105	R9-R117 PolarHBondContact NH2-O 3.29Å; Y15-R117 HydrophobicContact CE2-CB 3.87Å; Y15-R117 PolarHBondContact OH-O 3.17Å; V19-R117 WeakPolarHBondContact O-CB 3.33Å; V19-R117 PolarHBondContact O-N 3.03Å; E75-R117 IonicContact OE1-CZ 2.71Å; E75-R117 VanDerWaalsContact OE1-CZ 3.29Å; E75-R117 IonicContact OE1-NH1 3.67Å; E75-R117 PolarHBondContact OE1-NH1 3.18Å; E75-R117 IonicContact OE1-NH2 3.01Å; E75-R117 PolarHBondContact OE1-NH2 3.47Å; E75-R117 IonicContact OE2-CZ 3.29Å; E75-R117 IonicContact OE2-NH1 2.94Å; E75-R117 PolarHBondContact OE2-NH1 3.04Å; E75-R117 IonicContact OE2-NH2 2.8Å; E75-R117 PolarHBondContact OE2-NH2 3.28Å; Y105-R117 HydrophobicContact CD1-CG 4.41Å; Y105-R117 HydrophobicContact CD2-CG 3.79Å; Y105-R117 VanDerWaalsContact CE1-CZ 3.5Å; Y105-R117 HydrophobicContact CG-CG 3.72Å
118	E	95.1	Very high	92.4	Very high	40 Å²	40	60.8 Å²	60.8	19%	0.187	32%	0.317	C	S	.	.			trans	-121.6	130.5	176.2	-59.8	-166.6	145.9	0	0	112	R6 Y105 D106 T109 P116	R6-E118 HydrophobicContact CB-CB 4.36Å; R6-E118 WeakPolarHBondContact CD-OE2 3.45Å; R6-E118 IonicContact CZ-OE2 3.25Å; R6-E118 IonicContact NE-OE2 2.64Å; R6-E118 IonicContact NH1-OE2 3.32Å; R6-E118 PolarHBondContact NH1-OE2 3.29Å; Y105-E118 CarbonylContact C-O 3.51Å; Y105-E118 WeakPolarHBondContact CA-O 3.3Å; Y105-E118 VanDerWaalsContact CB-O 3.23Å; Y105-E118 WeakPolarHBondContact CB-O 3.27Å; D106-E118 PolarHBondContact N-O 2.7Å; T109-E118 HydrophobicContact CG2-CB 4.23Å; T109-E118 HydrophobicContact CG2-CG 4.31Å; T109-E118 PolarHBondContact OG1-N 3.37Å; P116-E118 PolarHBondContact O-N 2.85Å
119	Q	94.4	Very high	92.2	Very high	41 Å²	41	59.2 Å²	59.2	19%	0.192	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-74.5	151.6	176.9	-74.5	66.3	43.6	0	0	110.9	R6 L7 Y15 A103	R6-Q119 WeakPolarHBondContact CA-O 3.48Å; L7-Q119 HydrophobicContact CD1-CB 3.84Å; L7-Q119 HydrophobicContact CG-CB 4.42Å; L7-Q119 PolarHBondContact N-O 2.89Å; Y15-Q119 PolarHBondContact OH-NE2 2.97Å; A103-Q119 HydrophobicContact CB-CG 4.21Å
120	I	94	Very high	91.9	Very high	18 Å²	18	59.3 Å²	59.3	9%	0.092	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	144.6	179.8	-65.3	175.2	0	0	0	110.1	G4 S5 S67 Q104 D106	G4-I120 VanDerWaalsContact C-CG2 3.44Å; G4-I120 VanDerWaalsContact CA-CG2 3.45Å; G4-I120 WeakPolarHBondContact O-CG2 3.13Å; S5-I120 WeakPolarHBondContact O-CA 3.4Å; S67-I120 WeakPolarHBondContact CB-O 3.4Å; Q104-I120 HydrophobicContact CG-CD1 4.43Å; Q104-I120 PolarHBondContact O-N 2.76Å; D106-I120 HydrophobicContact CB-CD1 4.28Å; D106-I120 HydrophobicContact CB-CG1 4.11Å
121	N	92.8	Very high	91.5	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.8	163.7	-166.9	11.6	0	0	0	110.6	G4 S5 L7 I64 L65 Q66 R123	G4-N121 PolarHBondContact N-O 2.99Å; S5-N121 PolarHBondContact O-N 2.95Å; L7-N121 HydrophobicContact CD2-CB 3.81Å; I64-N121 PolarHBondContact O-ND2 3.27Å; L65-N121 WeakPolarHBondContact CA-OD1 3.47Å; Q66-N121 PolarHBondContact N-OD1 3.41Å; N121-R123 VanDerWaalsContact C-N 3.28Å; N121-R123 VanDerWaalsContact CG-O 3.32Å; N121-R123 PolarHBondContact ND2-O 3.43Å; N121-R123 VanDerWaalsContact ND2-O 3.11Å; N121-R123 PolarHBondContact OD1-N 3.04Å; N121-R123 VanDerWaalsContact OD1-N 3.13Å
122	H	88.6	Confident	91.1	Very high	44 Å²	44	53.7 Å²	53.7	20%	0.204	28%	0.282	C	S	.	.	S	Bend	trans	-85.2	-1.1	174.4	-68.3	-88.2	0	0	0	113.3	Q66 Q104	Q66-H122 HydrophobicContact CB-CB 4.12Å; Q66-H122 HydrophobicContact CG-CB 4.16Å; Q66-H122 WeakPolarHBondContact O-CB 3.45Å; Q66-H122 PolarHBondContact O-CD2 3.35Å; Q66-H122 PolarHBondContact O-N 2.78Å; Q104-H122 PolarHBondContact OE1-CE1 2.9Å; Q104-H122 PolarHBondContact OE1-NE2 3.45Å; Q104-H122 VanDerWaalsContact OE1-NE2 3.11Å
123	R	88.8	Confident	90.9	Very high	44 Å²	44	56.4 Å²	56.4	17%	0.166	28%	0.284	C	S	.	.	S	Bend	trans	-108.9	164.9	172.9	-71.6	-74.8	179.8	-119.4	6.7	111.4	Y62 Q66 N121	Y62-R123 PolarHBondContact O-NE 2.98Å; Q66-R123 HydrophobicContact CB-CB 4.4Å; Q66-R123 HydrophobicContact CB-CG 3.53Å; N121-R123 VanDerWaalsContact C-N 3.28Å; N121-R123 VanDerWaalsContact CG-O 3.32Å; N121-R123 PolarHBondContact ND2-O 3.43Å; N121-R123 VanDerWaalsContact ND2-O 3.11Å; N121-R123 PolarHBondContact OD1-N 3.04Å; N121-R123 VanDerWaalsContact OD1-N 3.13Å
124	T	91.7	Very high	90.6	Very high	13 Å²	13	51.1 Å²	51.1	8%	0.08	26%	0.259	C	S	.	.			trans	-67.7	147.5	163.7	54.8	0	0	0	0	108	P3 I64 W126 D128 S130 V135	P3-T124 HydrophobicContact CG-CG2 3.78Å; I64-T124 CarbonylContact C-O 3.49Å; I64-T124 VanDerWaalsContact CA-O 3.3Å; I64-T124 WeakPolarHBondContact CA-O 3.28Å; T124-W126 PolarHBondContact O-N 3.02Å; T124-D128 WeakPolarHBondContact CB-OD2 3.44Å; T124-D128 VanDerWaalsContact CG2-OD2 3.28Å; T124-D128 WeakPolarHBondContact CG2-OD2 3.28Å; T124-D128 VanDerWaalsContact OG1-CG 3.28Å; T124-D128 PolarHBondContact OG1-OD1 3.34Å; T124-D128 PolarHBondContact OG1-OD2 2.83Å; T124-S130 PolarHBondContact OG1-OG 3.15Å; T124-V135 HydrophobicContact CG2-CG1 4.14Å
125	S	92.3	Very high	90.4	Very high	50 Å²	50	45 Å²	45	35%	0.35	23%	0.227	S	C	.	.	S	Bend	trans	-84.8	16.1	172.1	-53.1	0	0	0	0	112.7	M1	M1-S125 WeakPolarHBondContact CB-OG 3.17Å; M1-S125 PolarHBondContact O-N 3.43Å
126	W	93.2	Very high	90	Very high	158 Å²	158	46.4 Å²	46.4	60%	0.598	23%	0.232	S	C	*	.	S	Bend	trans	-111.6	158	-176.9	-54.4	113.8	0	0	0	108.7	T124 D128	T124-W126 PolarHBondContact O-N 3.02Å; W126-D128 HydrophobicContact CB-CB 4.28Å; W126-D128 PolarHBondContact O-N 3.46Å
127	I	92.5	Very high	89.7	Confident	136 Å²	136	52 Å²	52	70%	0.697	26%	0.256	S	S	*	.			trans	-94.1	90.6	167	-59.6	174.5	0	0	0	105.5	V60 E63 I64	V60-I127 HydrophobicContact CG1-CD1 4.42Å; E63-I127 HydrophobicContact CG-CB 4.42Å; E63-I127 HydrophobicContact CG-CG1 4.39Å; E63-I127 HydrophobicContact CG-CG2 4.28Å; I64-I127 HydrophobicContact CG2-CG1 3.77Å
128	D	92	Very high	89.3	Confident	79 Å²	79	55.4 Å²	55.4	42%	0.422	28%	0.279	S	S	.	.	S	Bend	trans	-124.1	4.8	-170.6	56.7	10.6	0	0	0	113.3	E63 T124 W126 S130	E63-D128 PolarHBondContact OE1-N 2.95Å; T124-D128 WeakPolarHBondContact CB-OD2 3.44Å; T124-D128 VanDerWaalsContact CG2-OD2 3.28Å; T124-D128 WeakPolarHBondContact CG2-OD2 3.28Å; T124-D128 VanDerWaalsContact OG1-CG 3.28Å; T124-D128 PolarHBondContact OG1-OD1 3.34Å; T124-D128 PolarHBondContact OG1-OD2 2.83Å; W126-D128 HydrophobicContact CB-CB 4.28Å; W126-D128 PolarHBondContact O-N 3.46Å; D128-S130 WeakPolarHBondContact OD1-CB 3.29Å; D128-S130 PolarHBondContact OD1-N 3.25Å; D128-S130 VanDerWaalsContact OD1-N 3.12Å; D128-S130 PolarHBondContact OD1-OG 2.78Å
129	G	88.8	Confident	88.6	Confident	23 Å²	23	56.3 Å²	56.3	24%	0.237	28%	0.281	C	S	.	.	S	Bend	trans	79.9	18.4	-175.4	0	0	0	0	0	113.2	E63 I131 L132 Y133	E63-G129 VanDerWaalsContact OE1-CA 3.29Å; E63-G129 WeakPolarHBondContact OE1-CA 3.23Å; E63-G129 PolarHBondContact OE1-N 3.01Å; G129-I131 PolarHBondContact O-N 3.32Å; G129-L132 WeakPolarHBondContact O-CA 3.17Å; G129-L132 PolarHBondContact O-N 3.06Å; G129-Y133 WeakPolarHBondContact O-CD2 3.29Å; G129-Y133 PolarHBondContact O-N 2.98Å
130	S	87.5	Confident	88.2	Confident	5 Å²	5	56.2 Å²	56.2	4%	0.035	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-22	-178.9	64.4	0	0	0	0	113.8	E63 T124 D128 L132 S134	E63-S130 PolarHBondContact O-OG 2.79Å; E63-S130 PolarHBondContact OE1-N 3.45Å; E63-S130 PolarHBondContact OE2-N 3.46Å; T124-S130 PolarHBondContact OG1-OG 3.15Å; D128-S130 WeakPolarHBondContact OD1-CB 3.29Å; D128-S130 PolarHBondContact OD1-N 3.25Å; D128-S130 VanDerWaalsContact OD1-N 3.12Å; D128-S130 PolarHBondContact OD1-OG 2.78Å; S130-L132 PolarHBondContact O-N 3.45Å; S130-S134 CarbonylContact O-C 3.51Å; S130-S134 WeakPolarHBondContact O-CA 3.47Å; S130-S134 PolarHBondContact O-N 2.71Å
131	I	83.1	Confident	88	Confident	35 Å²	35	57.8 Å²	57.8	18%	0.179	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-30.4	169.8	-162.9	171.4	0	0	0	112.6	M59 E63 G129 V190 V194	M59-I131 HydrophobicContact CG-CD1 3.69Å; M59-I131 HydrophobicContact SD-CD1 3.95Å; M59-I131 HydrophobicContact SD-CG2 4.15Å; E63-I131 WeakPolarHBondContact OE2-CB 3.22Å; E63-I131 WeakPolarHBondContact OE2-CG2 3.4Å; E63-I131 PolarHBondContact OE2-N 3.03Å; G129-I131 PolarHBondContact O-N 3.32Å; I131-V190 HydrophobicContact CD1-CG1 4.37Å; I131-V194 HydrophobicContact CD1-CG2 3.92Å; I131-V194 HydrophobicContact CG1-CG2 4Å
132	L	82.2	Confident	87.6	Confident	21 Å²	21	60 Å²	60	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-96.6	-46.7	-179.1	-178.6	62.2	0	0	0	111.4	G129 S130 M143 L151 V198	G129-L132 WeakPolarHBondContact O-CA 3.17Å; G129-L132 PolarHBondContact O-N 3.06Å; S130-L132 PolarHBondContact O-N 3.45Å; L132-M143 WeakPolarHBondContact O-CE 3.4Å; L132-L151 HydrophobicContact CD1-CD1 3.72Å; L132-L151 HydrophobicContact CG-CD1 4.14Å; L132-V198 HydrophobicContact CD1-CB 4.46Å; L132-V198 HydrophobicContact CD1-CG2 3.38Å
133	Y	85.6	Confident	87.3	Confident	84 Å²	84	60.6 Å²	60.6	33%	0.329	31%	0.305	S	S	.	.	H	α-helix	trans	-94.8	3.2	-173	-58.1	-64.5	0	0	0	113.9	G129 L140	G129-Y133 WeakPolarHBondContact O-CD2 3.29Å; G129-Y133 PolarHBondContact O-N 2.98Å; Y133-L140 HydrophobicContact CD1-CD1 4.01Å; Y133-L140 WeakPolarHBondContact O-CB 3.5Å; Y133-L140 WeakPolarHBondContact O-CD1 3.34Å
134	S	84.4	Confident	87.3	Confident	20 Å²	20	62.8 Å²	62.8	14%	0.14	31%	0.314	C	S	.	.			trans	64.7	165.6	-172.7	-170.4	0	0	0	0	113.5	S130 Q136 W139	S130-S134 CarbonylContact O-C 3.51Å; S130-S134 WeakPolarHBondContact O-CA 3.47Å; S130-S134 PolarHBondContact O-N 2.71Å; S134-Q136 PolarHBondContact OG-N 3.01Å; S134-Q136 PolarHBondContact OG-O 2.71Å; S134-W139 WeakPolarHBondContact OG-CB 3.35Å; S134-W139 VanDerWaalsContact OG-CE3 3.29Å
135	V	87.4	Confident	87.2	Confident	38 Å²	38	63.7 Å²	63.7	23%	0.23	32%	0.32	C	S	.	.	S	Bend	trans	-96.9	-4.2	167.2	-62.8	0	0	0	0	112.3	P3 T124	P3-V135 HydrophobicContact CB-CB 4.29Å; P3-V135 HydrophobicContact CB-CG2 4.47Å; P3-V135 HydrophobicContact CG-CB 3.73Å; P3-V135 HydrophobicContact CG-CG1 4.01Å; P3-V135 HydrophobicContact CG-CG2 4.43Å; T124-V135 HydrophobicContact CG2-CG1 4.14Å
136	Q	86.4	Confident	87.2	Confident	88 Å²	88	67.3 Å²	67.3	41%	0.411	33%	0.33	S	S	.	.	S	Bend	trans	-120	121.3	-178	-59.2	-174.8	14.7	0	0	109.9	S134 W139 L140	S134-Q136 PolarHBondContact OG-N 3.01Å; S134-Q136 PolarHBondContact OG-O 2.71Å; Q136-W139 HydrophobicContact CB-CB 4.34Å; Q136-W139 HydrophobicContact CB-CD2 4.22Å; Q136-W139 HydrophobicContact CB-CG 4.1Å; Q136-W139 WeakPolarHBondContact O-CB 3.5Å; Q136-W139 PolarHBondContact O-N 3.23Å; Q136-L140 PolarHBondContact O-N 3.38Å; Q136-L140 VanDerWaalsContact O-N 3.11Å
137	E	87.9	Confident	87.1	Confident	141 Å²	141	67.2 Å²	67.2	66%	0.659	33%	0.334	S	S	*	.	H	α-helix	trans	-56.1	-42.4	179.4	-171.4	-167.1	159.7	0	0	113.5	W139 L140 N141	E137-W139 PolarHBondContact O-N 3.48Å; E137-L140 WeakPolarHBondContact O-CB 3.27Å; E137-L140 PolarHBondContact O-N 3.3Å; E137-N141 PolarHBondContact O-N 2.82Å
138	P	86.3	Confident	87.1	Confident	82 Å²	82	68 Å²	68	53%	0.532	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-35.8	176.1	-25.8	36.1	0	0	0	113.1	I142	P138-I142 VanDerWaalsContact O-CG1 3.32Å; P138-I142 WeakPolarHBondContact O-CG1 3.39Å; P138-I142 PolarHBondContact O-N 3.08Å
139	W	81.4	Confident	86.9	Confident	60 Å²	60	66.5 Å²	66.5	23%	0.227	34%	0.342	C	S	.	.	H	α-helix	trans	-72.3	-41.7	177.8	-68.1	6.2	0	0	0	111.5	S134 Q136 E137 N141 I142 M143 P168	S134-W139 WeakPolarHBondContact OG-CB 3.35Å; S134-W139 VanDerWaalsContact OG-CE3 3.29Å; Q136-W139 HydrophobicContact CB-CB 4.34Å; Q136-W139 HydrophobicContact CB-CD2 4.22Å; Q136-W139 HydrophobicContact CB-CG 4.1Å; Q136-W139 WeakPolarHBondContact O-CB 3.5Å; Q136-W139 PolarHBondContact O-N 3.23Å; E137-W139 PolarHBondContact O-N 3.48Å; W139-N141 VanDerWaalsContact C-N 3.29Å; W139-N141 PolarHBondContact O-N 3.46Å; W139-I142 PolarHBondContact O-N 2.92Å; W139-M143 WeakPolarHBondContact O-CG 3.5Å; W139-M143 PolarHBondContact O-N 3.38Å; W139-P168 HydrophobicContact CH2-CG 4.29Å; W139-P168 HydrophobicContact CZ2-CG 3.46Å; W139-P168 VanDerWaalsContact CZ2-CG 3.46Å
140	L	86.4	Confident	86.9	Confident	38 Å²	38	67.6 Å²	67.6	20%	0.199	35%	0.345	C	S	.	.	H	α-helix	trans	-57.3	-46.4	174.4	178.8	53.1	0	0	0	110.8	Y133 Q136 E137 I142 M143 R144	Y133-L140 HydrophobicContact CD1-CD1 4.01Å; Y133-L140 WeakPolarHBondContact O-CB 3.5Å; Y133-L140 WeakPolarHBondContact O-CD1 3.34Å; Q136-L140 PolarHBondContact O-N 3.38Å; Q136-L140 VanDerWaalsContact O-N 3.11Å; E137-L140 WeakPolarHBondContact O-CB 3.27Å; E137-L140 PolarHBondContact O-N 3.3Å; L140-I142 VanDerWaalsContact C-N 3.28Å; L140-I142 PolarHBondContact O-N 3.5Å; L140-M143 CarbonylContact O-C 3.58Å; L140-M143 PolarHBondContact O-N 3.2Å; L140-R144 HydrophobicContact CD1-CG 4.02Å; L140-R144 HydrophobicContact CG-CG 4.38Å; L140-R144 VanDerWaalsContact O-CG 3.3Å; L140-R144 WeakPolarHBondContact O-CG 3.5Å; L140-R144 PolarHBondContact O-N 2.99Å
141	N	87.9	Confident	87	Confident	52 Å²	52	68.1 Å²	68.1	28%	0.278	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-36.8	-179.9	-72	-19.1	0	0	0	112.3	E137 W139 M143 R144 F146	E137-N141 PolarHBondContact O-N 2.82Å; W139-N141 VanDerWaalsContact C-N 3.29Å; W139-N141 PolarHBondContact O-N 3.46Å; N141-M143 VanDerWaalsContact C-N 3.35Å; N141-R144 PolarHBondContact O-N 3.26Å; N141-F146 HydrophobicContact CB-CZ 4.04Å; N141-F146 WeakPolarHBondContact O-CE2 3.4Å
142	I	84.7	Confident	87.1	Confident	48 Å²	48	70.8 Å²	70.8	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-70.2	-33.2	175.3	-68	168.9	0	0	0	111.7	P138 W139 L140 R144 R152 E165 L167	P138-I142 VanDerWaalsContact O-CG1 3.32Å; P138-I142 WeakPolarHBondContact O-CG1 3.39Å; P138-I142 PolarHBondContact O-N 3.08Å; W139-I142 PolarHBondContact O-N 2.92Å; L140-I142 VanDerWaalsContact C-N 3.28Å; L140-I142 PolarHBondContact O-N 3.5Å; I142-R144 VanDerWaalsContact C-N 3.34Å; I142-R152 WeakPolarHBondContact O-CD 3.39Å; I142-R152 PolarHBondContact O-NE 3.08Å; I142-R152 PolarHBondContact O-NH1 2.89Å; I142-E165 WeakPolarHBondContact CG2-OE2 3.39Å; I142-L167 HydrophobicContact CD1-CD2 3.62Å; I142-L167 HydrophobicContact CG2-CD1 3.85Å; I142-L167 HydrophobicContact CG2-CD2 4.33Å
143	M	83.1	Confident	87.2	Confident	58 Å²	58	73.6 Å²	73.6	29%	0.286	37%	0.367	S	S	.	.	H	α-helix	trans	-79	-15.1	177.5	-66.8	-173	-59.7	0	0	113.6	L132 W139 L140 N141 L151 R152	L132-M143 WeakPolarHBondContact O-CE 3.4Å; W139-M143 WeakPolarHBondContact O-CG 3.5Å; W139-M143 PolarHBondContact O-N 3.38Å; L140-M143 CarbonylContact O-C 3.58Å; L140-M143 PolarHBondContact O-N 3.2Å; N141-M143 VanDerWaalsContact C-N 3.35Å; M143-L151 HydrophobicContact CB-CD2 4.33Å; M143-L151 CarbonylContact O-C 3.35Å; M143-L151 WeakPolarHBondContact O-CA 3.25Å; M143-R152 PolarHBondContact O-N 3.45Å
144	R	89.1	Confident	87.1	Confident	90 Å²	90	70.7 Å²	70.7	34%	0.34	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-83.1	140	179.2	-73.8	172.2	74.8	169.7	6.5	111.9	L140 N141 I142 F146 L151 R152	L140-R144 HydrophobicContact CD1-CG 4.02Å; L140-R144 HydrophobicContact CG-CG 4.38Å; L140-R144 VanDerWaalsContact O-CG 3.3Å; L140-R144 WeakPolarHBondContact O-CG 3.5Å; L140-R144 PolarHBondContact O-N 2.99Å; N141-R144 PolarHBondContact O-N 3.26Å; I142-R144 VanDerWaalsContact C-N 3.34Å; R144-F146 VanDerWaalsContact C-N 3.3Å; R144-F146 HydrophobicContact CB-CD1 4.47Å; R144-F146 HydrophobicContact CB-CD2 4.05Å; R144-F146 HydrophobicContact CB-CE1 4.28Å; R144-F146 HydrophobicContact CB-CE2 3.85Å; R144-F146 HydrophobicContact CB-CG 4.37Å; R144-F146 HydrophobicContact CB-CZ 3.97Å; R144-L151 HydrophobicContact CG-CD2 4.35Å; R144-R152 VanDerWaalsContact C-CG 3.49Å; R144-R152 VanDerWaalsContact O-CG 3.28Å; R144-R152 WeakPolarHBondContact O-CG 3.36Å; R144-R152 PolarHBondContact O-NE 3.1Å
145	S	89.7	Confident	87.1	Confident	31 Å²	31	79.7 Å²	79.7	22%	0.217	40%	0.4	C	S	.	.			trans	-77.3	-22.7	171.8	75.3	0	0	0	0	112	K147 T150	S145-K147 PolarHBondContact O-N 2.89Å; S145-K147 PolarHBondContact OG-N 3.21Å; S145-K147 PolarHBondContact OG-O 3.32Å; S145-K147 VanDerWaalsContact OG-O 3.04Å; S145-T150 WeakPolarHBondContact CB-OG1 3Å; S145-T150 PolarHBondContact N-O 3.16Å; S145-T150 PolarHBondContact OG-O 2.9Å; S145-T150 PolarHBondContact OG-OG1 3.44Å
146	F	91.8	Very high	86.8	Confident	126 Å²	126	83.1 Å²	83.1	55%	0.553	42%	0.415	S	S	*	.			trans	53.8	22.3	-167	-61.6	-81.5	0	0	0	113.7	N141 R144	N141-F146 HydrophobicContact CB-CZ 4.04Å; N141-F146 WeakPolarHBondContact O-CE2 3.4Å; R144-F146 VanDerWaalsContact C-N 3.3Å; R144-F146 HydrophobicContact CB-CD1 4.47Å; R144-F146 HydrophobicContact CB-CD2 4.05Å; R144-F146 HydrophobicContact CB-CE1 4.28Å; R144-F146 HydrophobicContact CB-CE2 3.85Å; R144-F146 HydrophobicContact CB-CG 4.37Å; R144-F146 HydrophobicContact CB-CZ 3.97Å
147	K	91.5	Very high	86.7	Confident	157 Å²	157	86.9 Å²	86.9	68%	0.683	43%	0.43	S	S	*	.	S	Bend	trans	-121.5	122.8	175.3	-65.1	179.4	-178.3	-179.7	0	108.1	S145 G149 T150	S145-K147 PolarHBondContact O-N 2.89Å; S145-K147 PolarHBondContact OG-N 3.21Å; S145-K147 PolarHBondContact OG-O 3.32Å; S145-K147 VanDerWaalsContact OG-O 3.04Å; K147-G149 PolarHBondContact O-N 2.84Å; K147-T150 PolarHBondContact O-N 3.3Å; K147-T150 VanDerWaalsContact O-N 3.12Å; K147-T150 PolarHBondContact O-OG1 2.98Å
148	N	91.6	Very high	86.3	Confident	152 Å²	152	80.6 Å²	80.6	81%	0.813	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	23.9	179.2	-57	-18.2	0	0	0	115	T150	N148-T150 VanDerWaalsContact C-N 3.3Å; N148-T150 HydrophobicContact CB-CG2 4.34Å; N148-T150 PolarHBondContact O-N 2.99Å
149	G	88.9	Confident	86	Confident	47 Å²	47	82.4 Å²	82.4	49%	0.485	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	16.7	-179.1	0	0	0	0	0	115.5	K147	K147-G149 PolarHBondContact O-N 2.84Å
150	T	88.8	Confident	85.9	Confident	47 Å²	47	81.9 Å²	81.9	29%	0.288	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-88.5	162.9	-177.5	77.8	0	0	0	0	113.2	S145 K147 N148	S145-T150 WeakPolarHBondContact CB-OG1 3Å; S145-T150 PolarHBondContact N-O 3.16Å; S145-T150 PolarHBondContact OG-O 2.9Å; S145-T150 PolarHBondContact OG-OG1 3.44Å; K147-T150 PolarHBondContact O-N 3.3Å; K147-T150 VanDerWaalsContact O-N 3.12Å; K147-T150 PolarHBondContact O-OG1 2.98Å; N148-T150 VanDerWaalsContact C-N 3.3Å; N148-T150 HydrophobicContact CB-CG2 4.34Å; N148-T150 PolarHBondContact O-N 2.99Å
151	L	88.1	Confident	85.6	Confident	15 Å²	15	83 Å²	83	8%	0.079	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-75.9	163.3	162.3	-64.2	173.3	0	0	0	110	L132 M143 R144 V198	L132-L151 HydrophobicContact CD1-CD1 3.72Å; L132-L151 HydrophobicContact CG-CD1 4.14Å; M143-L151 HydrophobicContact CB-CD2 4.33Å; M143-L151 CarbonylContact O-C 3.35Å; M143-L151 WeakPolarHBondContact O-CA 3.25Å; R144-L151 HydrophobicContact CG-CD2 4.35Å; L151-V198 HydrophobicContact CD1-CG1 4.25Å; L151-V198 HydrophobicContact CD1-CG2 4.28Å
152	R	85.7	Confident	85.2	Confident	91 Å²	91	87.5 Å²	87.5	34%	0.343	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-70.4	136.6	170.6	-66.4	-171.4	-175.7	175.9	-1.3	108.2	I142 M143 R144 P161 E165	I142-R152 WeakPolarHBondContact O-CD 3.39Å; I142-R152 PolarHBondContact O-NE 3.08Å; I142-R152 PolarHBondContact O-NH1 2.89Å; M143-R152 PolarHBondContact O-N 3.45Å; R144-R152 VanDerWaalsContact C-CG 3.49Å; R144-R152 VanDerWaalsContact O-CG 3.28Å; R144-R152 WeakPolarHBondContact O-CG 3.36Å; R144-R152 PolarHBondContact O-NE 3.1Å; R152-P161 HydrophobicContact CB-CG 4.2Å; R152-P161 VanDerWaalsContact O-CD 3.25Å; R152-P161 WeakPolarHBondContact O-CD 3.18Å; R152-E165 IonicContact NH1-OE1 2.97Å; R152-E165 PolarHBondContact NH1-OE1 2.81Å
153	E	85.2	Confident	84.7	Confident	80 Å²	80	87.9 Å²	87.9	37%	0.374	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-97.9	151.9	167.9	-63.3	-173	-175.9	0	0	110	K157 G158 Y159	E153-K157 VanDerWaalsContact OE2-CA 3.29Å; E153-K157 WeakPolarHBondContact OE2-CA 3.22Å; E153-K157 VanDerWaalsContact OE2-CG 3.31Å; E153-K157 WeakPolarHBondContact OE2-CG 3.24Å; E153-G158 VanDerWaalsContact CD-N 3.31Å; E153-G158 PolarHBondContact OE2-N 3.31Å; E153-Y159 CarbonylContact C-O 3.54Å; E153-Y159 WeakPolarHBondContact CA-O 3.22Å
154	G	83.4	Confident	84.1	Confident	24 Å²	24	89.3 Å²	89.3	25%	0.247	46%	0.46	C	S	.	.			trans	-84.4	-160	174.5	0	0	0	0	0	113.2	M156 Y159	G154-M156 PolarHBondContact O-N 2.77Å; G154-Y159 PolarHBondContact N-O 2.81Å
155	F	84	Confident	83.2	Confident	209 Å²	209	90.4 Å²	90.4	92%	0.917	47%	0.469	S	S	*	.	S	Bend	trans	-60.8	-30.4	178.7	-179.2	-100.1	0	0	0	112.9
156	M	81.7	Confident	82.2	Confident	110 Å²	110	99.5 Å²	99.5	54%	0.542	50%	0.499	S	S	.	.	S	Bend	trans	-101.4	126.9	175.8	-168	175.4	-61.7	0	0	109.5	G154 G158 Y159	G154-M156 PolarHBondContact O-N 2.77Å; M156-G158 PolarHBondContact O-N 3.16Å; M156-Y159 HydrophobicContact CB-CD2 3.71Å; M156-Y159 HydrophobicContact CB-CE2 4.39Å; M156-Y159 HydrophobicContact CB-CG 4.11Å; M156-Y159 HydrophobicContact CG-CD2 3.49Å; M156-Y159 VanDerWaalsContact CG-CD2 3.49Å; M156-Y159 HydrophobicContact CG-CE2 3.73Å; M156-Y159 HydrophobicContact CG-CG 4.34Å; M156-Y159 WeakPolarHBondContact O-CB 3.28Å; M156-Y159 PolarHBondContact O-N 3.31Å; M156-Y159 HydrophobicContact SD-CD2 3.57Å; M156-Y159 VanDerWaalsContact SD-CD2 3.57Å; M156-Y159 HydrophobicContact SD-CE1 4.46Å; M156-Y159 HydrophobicContact SD-CE2 3.22Å; M156-Y159 WeakPolarHBondContact SD-CE2 3.34Å; M156-Y159 HydrophobicContact SD-CG 4.33Å
157	K	83.5	Confident	80.9	Confident	167 Å²	167	95.1 Å²	95.1	73%	0.726	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	129.3	178.5	-172.1	178.8	-178.4	174.5	0	110.7	E153 Y159	E153-K157 VanDerWaalsContact OE2-CA 3.29Å; E153-K157 WeakPolarHBondContact OE2-CA 3.22Å; E153-K157 VanDerWaalsContact OE2-CG 3.31Å; E153-K157 WeakPolarHBondContact OE2-CG 3.24Å; K157-Y159 VanDerWaalsContact C-N 3.34Å
158	G	79.8	Confident	79.5	Confident	8 Å²	8	92 Å²	92	8%	0.082	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	13.3	-178.2	0	0	0	0	0	115.6	E153 M156 S199	E153-G158 VanDerWaalsContact CD-N 3.31Å; E153-G158 PolarHBondContact OE2-N 3.31Å; M156-G158 PolarHBondContact O-N 3.16Å; G158-S199 WeakPolarHBondContact O-CB 3.48Å; G158-S199 PolarHBondContact O-OG 3.36Å
159	Y	79.7	Confident	78.2	Confident	121 Å²	121	89.3 Å²	89.3	48%	0.475	46%	0.462	S	S	.	.	S	Bend	trans	-111.8	150.2	170	-73.4	-104.4	0	0	0	109.9	E153 G154 M156 K157	E153-Y159 CarbonylContact C-O 3.54Å; E153-Y159 WeakPolarHBondContact CA-O 3.22Å; G154-Y159 PolarHBondContact N-O 2.81Å; M156-Y159 HydrophobicContact CB-CD2 3.71Å; M156-Y159 HydrophobicContact CB-CE2 4.39Å; M156-Y159 HydrophobicContact CB-CG 4.11Å; M156-Y159 HydrophobicContact CG-CD2 3.49Å; M156-Y159 VanDerWaalsContact CG-CD2 3.49Å; M156-Y159 HydrophobicContact CG-CE2 3.73Å; M156-Y159 HydrophobicContact CG-CG 4.34Å; M156-Y159 WeakPolarHBondContact O-CB 3.28Å; M156-Y159 PolarHBondContact O-N 3.31Å; M156-Y159 HydrophobicContact SD-CD2 3.57Å; M156-Y159 VanDerWaalsContact SD-CD2 3.57Å; M156-Y159 HydrophobicContact SD-CE1 4.46Å; M156-Y159 HydrophobicContact SD-CE2 3.22Å; M156-Y159 WeakPolarHBondContact SD-CE2 3.34Å; M156-Y159 HydrophobicContact SD-CG 4.33Å; K157-Y159 VanDerWaalsContact C-N 3.34Å
160	P	79.8	Confident	77.1	Confident	48 Å²	48	90.9 Å²	90.9	31%	0.312	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-64.9	156.3	174.8	27.6	-34.6	0	0	0	111.6
161	P	79.8	Confident	75.8	Confident	61 Å²	61	95 Å²	95	40%	0.396	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-61.3	147.5	174.1	27.8	-36	0	0	0	111	R152	R152-P161 HydrophobicContact CB-CG 4.2Å; R152-P161 VanDerWaalsContact O-CD 3.25Å; R152-P161 WeakPolarHBondContact O-CD 3.18Å
162	L	78.7	Confident	74.6	Confident	148 Å²	148	96.1 Å²	96.1	78%	0.775	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-64.1	149.7	167.3	-62.3	177.3	0	0	0	109.1	A164	L162-A164 PolarHBondContact O-N 3.35Å
163	N	74.9	Confident	73.2	Confident	55 Å²	55	94.9 Å²	94.9	29%	0.294	49%	0.491	S	S	.	.	S	Bend	trans	-74.2	55.8	179.5	-169	19	0	0	0	113	E165 R166 L167 L169	N163-E165 VanDerWaalsContact C-N 3.31Å; N163-R166 PolarHBondContact O-N 3.1Å; N163-R166 PolarHBondContact OD1-N 2.98Å; N163-L167 PolarHBondContact ND2-O 3.33Å; N163-L167 WeakPolarHBondContact OD1-CB 3.38Å; N163-L167 PolarHBondContact OD1-N 3.42Å; N163-L169 HydrophobicContact CB-CD1 3.67Å
164	A	70.7	Confident	71.8	Confident	88 Å²	88	94.4 Å²	94.4	73%	0.727	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.8	178.2	0	0	0	0	0	112	L162 R166	L162-A164 PolarHBondContact O-N 3.35Å; A164-R166 PolarHBondContact O-N 3.42Å; A164-R166 VanDerWaalsContact O-N 3.17Å
165	E	70.1	Confident	70.6	Confident	113 Å²	113	95.5 Å²	95.5	53%	0.528	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-1.4	177.2	-61.2	-171.8	-160.4	0	0	113	I142 R152 N163 L167	I142-E165 WeakPolarHBondContact CG2-OE2 3.39Å; R152-E165 IonicContact NH1-OE1 2.97Å; R152-E165 PolarHBondContact NH1-OE1 2.81Å; N163-E165 VanDerWaalsContact C-N 3.31Å; E165-L167 HydrophobicContact CB-CG 4.31Å; E165-L167 PolarHBondContact O-N 3.06Å
166	R	67.6	Low	69.2	Low	222 Å²	222	94.5 Å²	94.5	84%	0.838	50%	0.496	S	S	*	.			trans	51.9	40.4	-178.5	-57.7	-178.9	-178.1	175.3	0.7	112.1	N163 A164	N163-R166 PolarHBondContact O-N 3.1Å; N163-R166 PolarHBondContact OD1-N 2.98Å; A164-R166 PolarHBondContact O-N 3.42Å; A164-R166 VanDerWaalsContact O-N 3.17Å
167	L	65.5	Low	68	Low	35 Å²	35	94.3 Å²	94.3	18%	0.183	50%	0.5	C	S	.	.			trans	-54.1	146	166.7	-60.9	176.9	0	0	0	108	I142 N163 E165 L169	I142-L167 HydrophobicContact CD1-CD2 3.62Å; I142-L167 HydrophobicContact CG2-CD1 3.85Å; I142-L167 HydrophobicContact CG2-CD2 4.33Å; N163-L167 PolarHBondContact ND2-O 3.33Å; N163-L167 WeakPolarHBondContact OD1-CB 3.38Å; N163-L167 PolarHBondContact OD1-N 3.42Å; E165-L167 HydrophobicContact CB-CG 4.31Å; E165-L167 PolarHBondContact O-N 3.06Å; L167-L169 HydrophobicContact CB-CG 4.2Å; L167-L169 PolarHBondContact O-N 2.88Å
168	P	62.9	Low	66.5	Low	91 Å²	91	89.8 Å²	89.8	59%	0.591	48%	0.481	S	S	*	.			trans	-72.2	56.6	177.7	33.6	-38.5	0	0	0	110.6	W139	W139-P168 HydrophobicContact CH2-CG 4.29Å; W139-P168 HydrophobicContact CZ2-CG 3.46Å; W139-P168 VanDerWaalsContact CZ2-CG 3.46Å
169	L	64.1	Low	64.9	Low	95 Å²	95	100.8 Å²	100.8	50%	0.497	52%	0.521	S	S	.	.			trans	-70.4	139.5	165.7	-60.5	-177.4	0	0	0	107.8	N163 L167 N171	N163-L169 HydrophobicContact CB-CD1 3.67Å; L167-L169 HydrophobicContact CB-CG 4.2Å; L167-L169 PolarHBondContact O-N 2.88Å; L169-N171 PolarHBondContact O-N 3.32Å
170	I	64.4	Low	63.1	Low	80 Å²	80	101.6 Å²	101.6	41%	0.41	53%	0.533	S	S	.	.			trans	-66	99.3	173.2	-63.9	167.6	0	0	0	107.3	P172	I170-P172 VanDerWaalsContact O-CD 3.25Å; I170-P172 WeakPolarHBondContact O-CD 3.49Å
171	N	62	Low	61.2	Low	133 Å²	133	101.1 Å²	101.1	71%	0.711	54%	0.537	S	S	*	.			trans	-116.8	69.7	-179.3	-168.9	18.3	0	0	0	109.6	L169	L169-N171 PolarHBondContact O-N 3.32Å
172	P	64	Low	59.4	Low	40 Å²	40	101.4 Å²	101.4	26%	0.26	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-60	133.5	172.2	30.3	-36.8	0	0	0	107.4	I170 E184	I170-P172 VanDerWaalsContact O-CD 3.25Å; I170-P172 WeakPolarHBondContact O-CD 3.49Å; P172-E184 HydrophobicContact CB-CB 4.17Å; P172-E184 HydrophobicContact CB-CG 4.45Å; P172-E184 WeakPolarHBondContact CB-OE2 3.38Å; P172-E184 HydrophobicContact CG-CB 4.13Å; P172-E184 WeakPolarHBondContact CG-OE2 3.16Å
173	P	54.5	Low	57.4	Low	65 Å²	65	100.8 Å²	100.8	42%	0.422	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-53.5	143.5	172.4	26.3	-38.5	0	0	0	110	H178	P173-H178 WeakPolarHBondContact CG-CD2 3.45Å; P173-H178 WeakPolarHBondContact CG-NE2 3.47Å
174	P	57.5	Low	56	Low	70 Å²	70	101.5 Å²	101.5	46%	0.455	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-57.9	139.9	-175.8	21.2	-31.1	0	0	0	110.2	Q176 V177 H178	P174-Q176 PolarHBondContact O-N 3.29Å; P174-V177 HydrophobicContact CG-CB 4.3Å; P174-V177 HydrophobicContact CG-CG2 3.77Å; P174-V177 WeakPolarHBondContact O-CB 3.5Å; P174-V177 PolarHBondContact O-N 3.35Å; P174-H178 PolarHBondContact O-N 3.12Å
175	P	56.7	Low	54.4	Low	46 Å²	46	100.4 Å²	100.4	30%	0.299	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.4	-175.2	-27.6	33.9	0	0	0	114.1	V177 H178	P175-V177 VanDerWaalsContact C-N 3.25Å; P175-V177 PolarHBondContact O-N 3.44Å; P175-H178 CarbonylContact O-C 3.48Å; P175-H178 WeakPolarHBondContact O-CA 3.33Å; P175-H178 WeakPolarHBondContact O-CB 3.46Å; P175-H178 PolarHBondContact O-N 2.89Å; P175-H178 VanDerWaalsContact O-N 3.08Å
176	Q	54.5	Low	52.8	Low	189 Å²	189	97.4 Å²	97.4	88%	0.883	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.8	176.2	-65.5	172	-25.8	0	0	112.9	P174	P174-Q176 PolarHBondContact O-N 3.29Å
177	V	56.6	Low	52	Low	106 Å²	106	90 Å²	90	64%	0.642	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.7	174.2	-178.1	0	0	0	0	110.5	P174 P175 R179	P174-V177 HydrophobicContact CG-CB 4.3Å; P174-V177 HydrophobicContact CG-CG2 3.77Å; P174-V177 WeakPolarHBondContact O-CB 3.5Å; P174-V177 PolarHBondContact O-N 3.35Å; P175-V177 VanDerWaalsContact C-N 3.25Å; P175-V177 PolarHBondContact O-N 3.44Å; V177-R179 VanDerWaalsContact C-N 3.32Å; V177-R179 PolarHBondContact O-N 3.46Å
178	H	53	Low	51	Low	71 Å²	71	91.3 Å²	91.3	33%	0.329	51%	0.505	S	S	.	.			trans	-73.6	83.3	166.9	-90.3	-116.8	0	0	0	110.7	P173 P174 P175 N180	P173-H178 WeakPolarHBondContact CG-CD2 3.45Å; P173-H178 WeakPolarHBondContact CG-NE2 3.47Å; P174-H178 PolarHBondContact O-N 3.12Å; P175-H178 CarbonylContact O-C 3.48Å; P175-H178 WeakPolarHBondContact O-CA 3.33Å; P175-H178 WeakPolarHBondContact O-CB 3.46Å; P175-H178 PolarHBondContact O-N 2.89Å; P175-H178 VanDerWaalsContact O-N 3.08Å; H178-N180 PolarHBondContact O-N 3.28Å
179	R	45	Very low	50.3	Low	240 Å²	240	89.8 Å²	89.8	91%	0.906	49%	0.491	S	S	*	.	S	Bend	trans	-58.6	-12.8	170.3	-156.5	172.4	-177.7	-179.4	1.1	113	V177	V177-R179 VanDerWaalsContact C-N 3.32Å; V177-R179 PolarHBondContact O-N 3.46Å
180	N	43.5	Very low	49.8	Very low	138 Å²	138	85.8 Å²	85.8	74%	0.738	47%	0.471	S	S	*	.	S	Bend	trans	-127.3	86.5	178.9	-60.8	-13.7	0	0	0	111.4	H178 V182	H178-N180 PolarHBondContact O-N 3.28Å; N180-V182 PolarHBondContact O-N 3.13Å
181	G	39.7	Very low	49.4	Very low	38 Å²	38	85.5 Å²	85.5	39%	0.392	48%	0.475	S	S	.	.	S	Bend	trans	69.5	0.5	137.9	0	0	0	0	0	122.2	F88	F88-G181 WeakPolarHBondContact CE1-O 3.06Å
182	V	41.2	Very low	49.1	Very low	67 Å²	67	83.8 Å²	83.8	41%	0.406	47%	0.465	S	S	.	.			trans	-105.2	103.1	175.4	-172.3	0	0	0	0	109.9	N180 E184	N180-V182 PolarHBondContact O-N 3.13Å; V182-E184 HydrophobicContact CG1-CG 4.41Å; V182-E184 PolarHBondContact O-N 3.37Å
183	I	38.3	Very low	48.7	Very low	134 Å²	134	83.7 Å²	83.7	69%	0.687	46%	0.461	S	S	*	.			trans	-90.3	96.8	176.8	-59.9	174.3	0	0	0	108.2	S185	I183-S185 VanDerWaalsContact C-N 3.31Å; I183-S185 WeakPolarHBondContact CG2-OG 3.45Å
184	E	45	Very low	48.9	Very low	71 Å²	71	82.2 Å²	82.2	33%	0.332	45%	0.451	S	S	.	.			trans	-96.4	31	160.4	-69.9	-153.9	169.8	0	0	111.8	P172 V182 A186 R187	P172-E184 HydrophobicContact CB-CB 4.17Å; P172-E184 HydrophobicContact CB-CG 4.45Å; P172-E184 WeakPolarHBondContact CB-OE2 3.38Å; P172-E184 HydrophobicContact CG-CB 4.13Å; P172-E184 WeakPolarHBondContact CG-OE2 3.16Å; V182-E184 HydrophobicContact CG1-CG 4.41Å; V182-E184 PolarHBondContact O-N 3.37Å; E184-A186 PolarHBondContact O-N 2.84Å; E184-A186 VanDerWaalsContact O-N 3.16Å; E184-R187 PolarHBondContact O-N 2.98Å; E184-R187 IonicContact OE1-CZ 2.75Å; E184-R187 IonicContact OE1-NH1 3.78Å; E184-R187 PolarHBondContact OE1-NH1 3.47Å; E184-R187 WeakPolarHBondContact OE2-CD 3.49Å; E184-R187 IonicContact OE2-CZ 3.94Å; E184-R187 IonicContact OE2-NE 3.98Å; E184-R187 IonicContact OE2-NH1 3.94Å; E184-R187 PolarHBondContact OE2-NH1 3.4Å
185	S	36.1	Very low	48.8	Very low	64 Å²	64	79.9 Å²	79.9	45%	0.448	44%	0.436	S	S	.	.	H	α-helix	trans	-61.1	-26.1	-176.3	60.5	0	0	0	0	113.8	I183 R187 A188	I183-S185 VanDerWaalsContact C-N 3.31Å; I183-S185 WeakPolarHBondContact CG2-OG 3.45Å; S185-R187 VanDerWaalsContact C-N 3.27Å; S185-R187 PolarHBondContact O-N 3.46Å; S185-A188 PolarHBondContact O-N 3.18Å
186	A	37.7	Very low	48.6	Very low	51 Å²	51	81.8 Å²	81.8	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-68.7	-21.7	-177.1	0	0	0	0	0	113.9	Q58 E184	Q58-A186 PolarHBondContact NE2-O 2.87Å; E184-A186 PolarHBondContact O-N 2.84Å; E184-A186 VanDerWaalsContact O-N 3.16Å
187	R	49.3	Very low	48.7	Very low	65 Å²	65	75.2 Å²	75.2	25%	0.245	42%	0.416	C	S	.	.	H	α-helix	trans	-74	-29	-179.9	-75.7	-179.9	165.1	160.1	-4.5	112.7	T68 E184 S185 I189 V190 S191	T68-R187 PolarHBondContact OG1-NH2 3.21Å; T68-R187 VanDerWaalsContact OG1-NH2 3.08Å; E184-R187 PolarHBondContact O-N 2.98Å; E184-R187 IonicContact OE1-CZ 2.75Å; E184-R187 IonicContact OE1-NH1 3.78Å; E184-R187 PolarHBondContact OE1-NH1 3.47Å; E184-R187 WeakPolarHBondContact OE2-CD 3.49Å; E184-R187 IonicContact OE2-CZ 3.94Å; E184-R187 IonicContact OE2-NE 3.98Å; E184-R187 IonicContact OE2-NH1 3.94Å; E184-R187 PolarHBondContact OE2-NH1 3.4Å; S185-R187 VanDerWaalsContact C-N 3.27Å; S185-R187 PolarHBondContact O-N 3.46Å; R187-I189 VanDerWaalsContact C-N 3.31Å; R187-I189 PolarHBondContact O-N 2.96Å; R187-V190 PolarHBondContact O-N 3Å; R187-S191 PolarHBondContact O-N 3.08Å
188	A	45.5	Very low	48.6	Very low	64 Å²	64	70.5 Å²	70.5	53%	0.529	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-34.4	-178.3	0	0	0	0	0	112.9	S185 S191	S185-A188 PolarHBondContact O-N 3.18Å; A188-S191 VanDerWaalsContact O-CB 3.29Å; A188-S191 WeakPolarHBondContact O-CB 3.42Å; A188-S191 PolarHBondContact O-N 3.38Å
189	I	48.7	Very low	47.8	Very low	59 Å²	59	68.5 Å²	68.5	30%	0.303	38%	0.381	S	S	.	.	H	α-helix	trans	-74.9	-31.9	-176.9	-57.7	173.4	0	0	0	111.3	F55 R187 S191 I192 F193	F55-I189 HydrophobicContact CB-CG2 4.47Å; F55-I189 HydrophobicContact CD1-CB 3.96Å; F55-I189 HydrophobicContact CD1-CD1 4.4Å; F55-I189 HydrophobicContact CD1-CG2 3.35Å; F55-I189 HydrophobicContact CD2-CG2 4.09Å; F55-I189 HydrophobicContact CE1-CB 3.81Å; F55-I189 HydrophobicContact CE1-CD1 3.4Å; F55-I189 VanDerWaalsContact CE1-CD1 3.4Å; F55-I189 HydrophobicContact CE1-CG1 4.18Å; F55-I189 HydrophobicContact CE1-CG2 3.44Å; F55-I189 VanDerWaalsContact CE1-CG2 3.44Å; F55-I189 HydrophobicContact CE2-CG2 4.14Å; F55-I189 HydrophobicContact CG-CG2 3.71Å; F55-I189 HydrophobicContact CZ-CB 4.46Å; F55-I189 HydrophobicContact CZ-CD1 3.49Å; F55-I189 VanDerWaalsContact CZ-CD1 3.49Å; F55-I189 HydrophobicContact CZ-CG2 3.84Å; R187-I189 VanDerWaalsContact C-N 3.31Å; R187-I189 PolarHBondContact O-N 2.96Å; I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3Å; I189-I192 WeakPolarHBondContact O-CB 3.26Å; I189-I192 PolarHBondContact O-N 3.41Å; I189-I192 VanDerWaalsContact O-N 3.1Å; I189-F193 HydrophobicContact CG2-CD2 4.45Å; I189-F193 HydrophobicContact CG2-CE2 4.36Å; I189-F193 PolarHBondContact O-N 2.62Å
190	V	53.5	Low	47.6	Very low	11 Å²	11	64.6 Å²	64.6	7%	0.067	37%	0.368	C	S	.	.	H	α-helix	trans	-62.3	-36.8	172.6	178.5	0	0	0	0	111.1	Q58 Y62 I131 R187 I192 F193 V194	Q58-V190 HydrophobicContact CB-CG2 4.41Å; Q58-V190 HydrophobicContact CG-CG2 3.74Å; Y62-V190 HydrophobicContact CD2-CB 4.39Å; Y62-V190 HydrophobicContact CD2-CG1 3.99Å; Y62-V190 HydrophobicContact CD2-CG2 3.93Å; Y62-V190 HydrophobicContact CE2-CB 4.36Å; Y62-V190 HydrophobicContact CE2-CG1 4.44Å; Y62-V190 HydrophobicContact CE2-CG2 3.71Å; I131-V190 HydrophobicContact CD1-CG1 4.37Å; R187-V190 PolarHBondContact O-N 3Å; V190-I192 PolarHBondContact O-N 2.97Å; V190-F193 PolarHBondContact O-N 3.07Å; V190-F193 VanDerWaalsContact O-N 3.08Å; V190-V194 HydrophobicContact CG1-CG2 4.18Å; V190-V194 WeakPolarHBondContact O-CG2 3.28Å; V190-V194 PolarHBondContact O-N 3.08Å
191	S	54.5	Low	47.7	Very low	73 Å²	73	58.5 Å²	58.5	51%	0.51	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-32.7	175.5	-167.6	0	0	0	0	112.6	R187 A188 I189 S195	R187-S191 PolarHBondContact O-N 3.08Å; A188-S191 VanDerWaalsContact O-CB 3.29Å; A188-S191 WeakPolarHBondContact O-CB 3.42Å; A188-S191 PolarHBondContact O-N 3.38Å; I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3Å; S191-S195 WeakPolarHBondContact O-CB 3.45Å; S191-S195 PolarHBondContact O-N 3.13Å; S191-S195 PolarHBondContact O-OG 2.9Å
192	I	56.2	Low	47.8	Very low	98 Å²	98	58.9 Å²	58.9	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-68.7	-46	176.6	-59.1	173.7	0	0	0	110	I189 V190 V194 S195 L196	I189-I192 WeakPolarHBondContact O-CB 3.26Å; I189-I192 PolarHBondContact O-N 3.41Å; I189-I192 VanDerWaalsContact O-N 3.1Å; V190-I192 PolarHBondContact O-N 2.97Å; I192-V194 PolarHBondContact O-N 3.45Å; I192-S195 WeakPolarHBondContact O-CB 3.43Å; I192-S195 PolarHBondContact O-N 3.01Å; I192-L196 HydrophobicContact CG2-CD1 4.13Å; I192-L196 WeakPolarHBondContact O-CG 3.47Å; I192-L196 PolarHBondContact O-N 2.99Å
193	F	55.8	Low	47.8	Very low	38 Å²	38	64 Å²	64	17%	0.167	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-42.4	177.5	-83.8	-89.2	0	0	0	112	M52 F55 I189 V190 S195 L196 T197	M52-F193 HydrophobicContact CG-CE1 4.29Å; M52-F193 HydrophobicContact CG-CZ 4.17Å; F55-F193 HydrophobicContact CB-CD2 3.85Å; F55-F193 HydrophobicContact CB-CE2 3.22Å; F55-F193 HydrophobicContact CB-CZ 3.71Å; F55-F193 HydrophobicContact CD2-CE2 4.18Å; F55-F193 AromaticContact CG-CE2 3.89Å; F55-F193 HydrophobicContact CG-CE2 3.89Å; I189-F193 HydrophobicContact CG2-CD2 4.45Å; I189-F193 HydrophobicContact CG2-CE2 4.36Å; I189-F193 PolarHBondContact O-N 2.62Å; V190-F193 PolarHBondContact O-N 3.07Å; V190-F193 VanDerWaalsContact O-N 3.08Å; F193-S195 VanDerWaalsContact C-N 3.33Å; F193-S195 PolarHBondContact O-N 3.37Å; F193-L196 PolarHBondContact O-N 2.91Å; F193-T197 WeakPolarHBondContact O-CG2 3.37Å; F193-T197 PolarHBondContact O-N 3.33Å; F193-T197 PolarHBondContact O-OG1 3.19Å
194	V	59.4	Low	47.8	Very low	34 Å²	34	62.8 Å²	62.8	21%	0.206	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-44.8	175.1	175.7	0	0	0	0	110.6	I131 V190 I192 L196 T197 V198	I131-V194 HydrophobicContact CD1-CG2 3.92Å; I131-V194 HydrophobicContact CG1-CG2 4Å; V190-V194 HydrophobicContact CG1-CG2 4.18Å; V190-V194 WeakPolarHBondContact O-CG2 3.28Å; V190-V194 PolarHBondContact O-N 3.08Å; I192-V194 PolarHBondContact O-N 3.45Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 3.09Å; V194-T197 VanDerWaalsContact CA-OG1 3.27Å; V194-T197 WeakPolarHBondContact CA-OG1 3.38Å; V194-T197 PolarHBondContact O-N 3.21Å; V194-T197 VanDerWaalsContact O-N 3.15Å; V194-T197 PolarHBondContact O-OG1 3.21Å; V194-V198 HydrophobicContact CG1-CG2 4.48Å; V194-V198 VanDerWaalsContact O-CG2 3.32Å; V194-V198 WeakPolarHBondContact O-CG2 3.45Å; V194-V198 PolarHBondContact O-N 3.31Å
195	S	54.2	Low	47.2	Very low	20 Å²	20	62.5 Å²	62.5	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-41.3	176.3	-56.7	0	0	0	0	112.1	S191 I192 F193 V198 S199	S191-S195 WeakPolarHBondContact O-CB 3.45Å; S191-S195 PolarHBondContact O-N 3.13Å; S191-S195 PolarHBondContact O-OG 2.9Å; I192-S195 WeakPolarHBondContact O-CB 3.43Å; I192-S195 PolarHBondContact O-N 3.01Å; F193-S195 VanDerWaalsContact C-N 3.33Å; F193-S195 PolarHBondContact O-N 3.37Å; S195-V198 PolarHBondContact O-N 3.07Å; S195-S199 WeakPolarHBondContact O-CB 3.42Å; S195-S199 PolarHBondContact O-N 3.28Å
196	L	53.8	Low	47.2	Very low	87 Å²	87	64 Å²	64	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-42.5	174.8	-72	168.9	0	0	0	111.5	I192 F193 V194 V198 S199 Y200	I192-L196 HydrophobicContact CG2-CD1 4.13Å; I192-L196 WeakPolarHBondContact O-CG 3.47Å; I192-L196 PolarHBondContact O-N 2.99Å; F193-L196 PolarHBondContact O-N 2.91Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 3.09Å; L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 PolarHBondContact O-N 2.76Å; L196-S199 WeakPolarHBondContact O-CB 3.4Å; L196-S199 PolarHBondContact O-N 3.21Å; L196-Y200 WeakPolarHBondContact O-CB 3.16Å; L196-Y200 WeakPolarHBondContact O-CD2 3.41Å; L196-Y200 PolarHBondContact O-N 2.65Å
197	T	55.4	Low	46.9	Very low	50 Å²	50	67.6 Å²	67.6	31%	0.307	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-37.8	177.8	53	0	0	0	0	112.4	F193 V194 Y200 S201	F193-T197 WeakPolarHBondContact O-CG2 3.37Å; F193-T197 PolarHBondContact O-N 3.33Å; F193-T197 PolarHBondContact O-OG1 3.19Å; V194-T197 VanDerWaalsContact CA-OG1 3.27Å; V194-T197 WeakPolarHBondContact CA-OG1 3.38Å; V194-T197 PolarHBondContact O-N 3.21Å; V194-T197 VanDerWaalsContact O-N 3.15Å; V194-T197 PolarHBondContact O-OG1 3.21Å; T197-Y200 PolarHBondContact O-N 3.39Å; T197-S201 VanDerWaalsContact O-CB 3.26Å; T197-S201 WeakPolarHBondContact O-CB 3.38Å; T197-S201 PolarHBondContact O-N 2.82Å; T197-S201 PolarHBondContact O-OG 3.07Å
198	V	54.4	Low	45.9	Very low	7 Å²	7	68.4 Å²	68.4	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-49.1	173.1	173.9	0	0	0	0	110.1	L132 L151 V194 S195 L196 Y200 S201 D202	L132-V198 HydrophobicContact CD1-CB 4.46Å; L132-V198 HydrophobicContact CD1-CG2 3.38Å; L151-V198 HydrophobicContact CD1-CG1 4.25Å; L151-V198 HydrophobicContact CD1-CG2 4.28Å; V194-V198 HydrophobicContact CG1-CG2 4.48Å; V194-V198 VanDerWaalsContact O-CG2 3.32Å; V194-V198 WeakPolarHBondContact O-CG2 3.45Å; V194-V198 PolarHBondContact O-N 3.31Å; S195-V198 PolarHBondContact O-N 3.07Å; L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 PolarHBondContact O-N 2.76Å; V198-Y200 VanDerWaalsContact C-N 3.29Å; V198-Y200 PolarHBondContact O-N 3.37Å; V198-S201 WeakPolarHBondContact CA-OG 3.09Å; V198-S201 PolarHBondContact O-N 3.12Å; V198-S201 VanDerWaalsContact O-N 3.17Å; V198-S201 PolarHBondContact O-OG 2.94Å; V198-D202 PolarHBondContact O-N 2.89Å
199	S	37.7	Very low	45.4	Very low	29 Å²	29	69.3 Å²	69.3	20%	0.203	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-39.7	178.8	-141.3	0	0	0	0	113.1	G158 S195 L196	G158-S199 WeakPolarHBondContact O-CB 3.48Å; G158-S199 PolarHBondContact O-OG 3.36Å; S195-S199 WeakPolarHBondContact O-CB 3.42Å; S195-S199 PolarHBondContact O-N 3.28Å; L196-S199 WeakPolarHBondContact O-CB 3.4Å; L196-S199 PolarHBondContact O-N 3.21Å
200	Y	40	Very low	44.7	Very low	159 Å²	159	70.9 Å²	70.9	62%	0.624	35%	0.349	S	S	*	.	H	α-helix	trans	-79.2	-31.2	177.7	-91.6	-90.2	0	0	0	112.7	L196 T197 V198 D202 R203 E204	L196-Y200 WeakPolarHBondContact O-CB 3.16Å; L196-Y200 WeakPolarHBondContact O-CD2 3.41Å; L196-Y200 PolarHBondContact O-N 2.65Å; T197-Y200 PolarHBondContact O-N 3.39Å; V198-Y200 VanDerWaalsContact C-N 3.29Å; V198-Y200 PolarHBondContact O-N 3.37Å; Y200-D202 VanDerWaalsContact C-N 3.31Å; Y200-D202 PolarHBondContact O-N 2.75Å; Y200-R203 PolarHBondContact O-N 3.12Å; Y200-E204 PolarHBondContact O-N 2.96Å
201	S	46.1	Very low	43.9	Very low	9 Å²	9	81 Å²	81	6%	0.063	39%	0.386	C	S	.	.	I	π-helix	trans	-65.4	-38.1	178.9	61.5	0	0	0	0	112.3	T197 V198 R203 L205 F206	T197-S201 VanDerWaalsContact O-CB 3.26Å; T197-S201 WeakPolarHBondContact O-CB 3.38Å; T197-S201 PolarHBondContact O-N 2.82Å; T197-S201 PolarHBondContact O-OG 3.07Å; V198-S201 WeakPolarHBondContact CA-OG 3.09Å; V198-S201 PolarHBondContact O-N 3.12Å; V198-S201 VanDerWaalsContact O-N 3.17Å; V198-S201 PolarHBondContact O-OG 2.94Å; S201-R203 VanDerWaalsContact C-N 3.29Å; S201-R203 PolarHBondContact O-N 2.94Å; S201-L205 PolarHBondContact O-N 3.29Å; S201-F206 PolarHBondContact O-N 3.48Å
202	D	41	Very low	43	Very low	46 Å²	46	86.3 Å²	86.3	25%	0.246	40%	0.395	C	S	.	.	I	π-helix	trans	-71.3	-21.5	177.3	-71.4	-32.6	0	0	0	113.2	V198 Y200	V198-D202 PolarHBondContact O-N 2.89Å; Y200-D202 VanDerWaalsContact C-N 3.31Å; Y200-D202 PolarHBondContact O-N 2.75Å
203	R	42.2	Very low	41.6	Very low	174 Å²	174	83.8 Å²	83.8	66%	0.657	39%	0.393	S	S	*	.	I	π-helix	trans	-95.7	-39.4	-179.4	-70.7	-172.2	-177.2	-156.6	3.4	114.6	Y200 S201	Y200-R203 PolarHBondContact O-N 3.12Å; S201-R203 VanDerWaalsContact C-N 3.29Å; S201-R203 PolarHBondContact O-N 2.94Å
204	E	37.3	Very low	40.5	Very low	110 Å²	110	91.4 Å²	91.4	51%	0.514	42%	0.421	S	S	.	.	I	π-helix	trans	-130.7	-32.3	-167.9	-67.2	-66	148.4	0	0	113.8	Y200 F206 H207 L208	Y200-E204 PolarHBondContact O-N 2.96Å; E204-F206 PolarHBondContact O-N 3.11Å; E204-H207 PolarHBondContact O-N 2.86Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 2.96Å
205	L	33.4	Very low	39.2	Very low	64 Å²	64	95.9 Å²	95.9	34%	0.335	44%	0.438	S	S	.	.	I	π-helix	trans	-69.4	-35.7	-177.7	-71.5	164.1	0	0	0	112.1	S201 H207 L208 F209	S201-L205 PolarHBondContact O-N 3.29Å; L205-H207 VanDerWaalsContact C-N 3.27Å; L205-H207 PolarHBondContact O-N 3.26Å; L205-L208 PolarHBondContact O-N 3.22Å; L205-F209 HydrophobicContact CB-CD2 4.1Å; L205-F209 HydrophobicContact CD2-CD2 3.49Å; L205-F209 VanDerWaalsContact CD2-CD2 3.49Å; L205-F209 HydrophobicContact CD2-CE2 3.08Å; L205-F209 HydrophobicContact CD2-CZ 4.12Å; L205-F209 HydrophobicContact CG-CD2 4.46Å; L205-F209 HydrophobicContact CG-CE2 4.38Å; L205-F209 VanDerWaalsContact O-CB 3.26Å; L205-F209 WeakPolarHBondContact O-CB 3.41Å; L205-F209 WeakPolarHBondContact O-CD2 3.45Å; L205-F209 PolarHBondContact O-N 2.94Å
206	F	34.7	Very low	37.9	Very low	97 Å²	97	103.7 Å²	103.7	43%	0.425	47%	0.472	S	S	.	.	H	α-helix	trans	-62.1	-35.5	175.9	-152.7	-93.7	0	0	0	112.3	S201 E204 N210	S201-F206 PolarHBondContact O-N 3.48Å; E204-F206 PolarHBondContact O-N 3.11Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.09Å; F206-N210 VanDerWaalsContact O-CB 3.28Å; F206-N210 WeakPolarHBondContact O-CB 3.35Å; F206-N210 PolarHBondContact O-N 3.42Å
207	H	31	Very low	36.7	Very low	126 Å²	126	102.6 Å²	102.6	58%	0.583	48%	0.482	S	S	*	.	H	α-helix	trans	-79.6	-35.6	176.9	-78.8	-57.2	0	0	0	113.4	E204 L205 R211	E204-H207 PolarHBondContact O-N 2.86Å; L205-H207 VanDerWaalsContact C-N 3.27Å; L205-H207 PolarHBondContact O-N 3.26Å; H207-R211 VanDerWaalsContact O-CB 3.29Å; H207-R211 WeakPolarHBondContact O-CB 2.99Å; H207-R211 VanDerWaalsContact O-CG 3.31Å; H207-R211 WeakPolarHBondContact O-CG 2.95Å; H207-R211 PolarHBondContact O-N 3.13Å
208	L	29.8	Very low	35.5	Very low	82 Å²	82	108.8 Å²	108.8	43%	0.429	51%	0.507	S	S	.	.	H	α-helix	trans	-76.5	-34.5	178.1	-94.3	148.9	0	0	0	113.4	E204 L205 R212	E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 2.96Å; L205-L208 PolarHBondContact O-N 3.22Å; L208-R212 WeakPolarHBondContact O-CG 3.42Å; L208-R212 PolarHBondContact O-N 3.15Å
209	F	34.6	Very low	34.3	Very low	83 Å²	83	117.1 Å²	117.1	36%	0.364	55%	0.551	S	S	.	*	H	α-helix	trans	-85.4	-32.4	-179.3	-79.4	-102	0	0	0	113	L205 R212 G213 W214 F215	L205-F209 HydrophobicContact CB-CD2 4.1Å; L205-F209 HydrophobicContact CD2-CD2 3.49Å; L205-F209 VanDerWaalsContact CD2-CD2 3.49Å; L205-F209 HydrophobicContact CD2-CE2 3.08Å; L205-F209 HydrophobicContact CD2-CZ 4.12Å; L205-F209 HydrophobicContact CG-CD2 4.46Å; L205-F209 HydrophobicContact CG-CE2 4.38Å; L205-F209 VanDerWaalsContact O-CB 3.26Å; L205-F209 WeakPolarHBondContact O-CB 3.41Å; L205-F209 WeakPolarHBondContact O-CD2 3.45Å; L205-F209 PolarHBondContact O-N 2.94Å; F209-R212 PolarHBondContact O-N 2.88Å; F209-G213 PolarHBondContact O-N 2.97Å; F209-W214 HydrophobicContact CD1-CB 4.13Å; F209-W214 PolarHBondContact O-N 3.09Å; F209-F215 HydrophobicContact CB-CD2 3.75Å; F209-F215 HydrophobicContact CB-CE2 3.66Å; F209-F215 AromaticContact CD1-CE2 3.92Å; F209-F215 HydrophobicContact CD1-CE2 3.92Å; F209-F215 HydrophobicContact CG-CE2 4.06Å
210	N	33.9	Very low	33.7	Very low	92 Å²	92	120 Å²	120	49%	0.492	58%	0.576	S	S	.	*	H	α-helix	trans	-66	-37.8	166.2	-97.7	-36.5	0	0	0	112.1	F206 R212	F206-N210 WeakPolarHBondContact CE1-ND2 3.09Å; F206-N210 VanDerWaalsContact O-CB 3.28Å; F206-N210 WeakPolarHBondContact O-CB 3.35Å; F206-N210 PolarHBondContact O-N 3.42Å; N210-R212 PolarHBondContact O-N 3.06Å
211	R	36	Very low	33.2	Very low	222 Å²	222	122 Å²	122	84%	0.838	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-15.1	176.9	-83.6	-171.7	-175.2	-159.8	4.4	114.2	H207	H207-R211 VanDerWaalsContact O-CB 3.29Å; H207-R211 WeakPolarHBondContact O-CB 2.99Å; H207-R211 VanDerWaalsContact O-CG 3.31Å; H207-R211 WeakPolarHBondContact O-CG 2.95Å; H207-R211 PolarHBondContact O-N 3.13Å
212	R	37.2	Very low	32.3	Very low	186 Å²	186	129.2 Å²	129.2	70%	0.702	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	7.6	-178.8	-72.9	-173	174.5	-172.7	0	114	L208 F209 N210 W214	L208-R212 WeakPolarHBondContact O-CG 3.42Å; L208-R212 PolarHBondContact O-N 3.15Å; F209-R212 PolarHBondContact O-N 2.88Å; N210-R212 PolarHBondContact O-N 3.06Å; R212-W214 VanDerWaalsContact C-N 3.31Å; R212-W214 PolarHBondContact O-N 2.92Å; R212-W214 PolarHBondContact O-NE1 3.41Å
213	G	26.3	Very low	31.6	Very low	45 Å²	45	134.8 Å²	134.8	46%	0.464	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.5	20.5	170.9	0	0	0	0	0	115.4	F209 F215	F209-G213 PolarHBondContact O-N 2.97Å; G213-F215 VanDerWaalsContact C-N 3.34Å
214	W	31.6	Very low	31.2	Very low	197 Å²	197	139.4 Å²	139.4	75%	0.746	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-3.5	-179.3	-71.4	78.5	0	0	0	113.7	F209 R212	F209-W214 HydrophobicContact CD1-CB 4.13Å; F209-W214 PolarHBondContact O-N 3.09Å; R212-W214 VanDerWaalsContact C-N 3.31Å; R212-W214 PolarHBondContact O-N 2.92Å; R212-W214 PolarHBondContact O-NE1 3.41Å
215	F	33.4	Very low	30.9	Very low	129 Å²	129	140.9 Å²	140.9	57%	0.566	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127	32.2	-179.5	-73.6	-74	0	0	0	113.6	F209 G213 G217	F209-F215 HydrophobicContact CB-CD2 3.75Å; F209-F215 HydrophobicContact CB-CE2 3.66Å; F209-F215 AromaticContact CD1-CE2 3.92Å; F209-F215 HydrophobicContact CD1-CE2 3.92Å; F209-F215 HydrophobicContact CG-CE2 4.06Å; G213-F215 VanDerWaalsContact C-N 3.34Å; F215-G217 PolarHBondContact O-N 2.03Å
216	E	27	Very low	30.8	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	71%	0.712	S	S	*	*			trans	-90	85.7	163.6	-73.2	-176.3	179.3	0	0	109.3
217	G	27.8	Very low	30.6	Very low	65 Å²	65	147.6 Å²	147.6	67%	0.67	73%	0.728	S	S	*	*			trans	179.2	70.8	178.2	0	0	0	0	0	113.4	F215	F215-G217 PolarHBondContact O-N 2.03Å
218	E	30.3	Very low	30.6	Very low	179 Å²	179	148.9 Å²	148.9	84%	0.836	74%	0.737	S	S	*	*	S	Bend	trans	177.6	13.3	148.4	-104.9	167.9	173.7	0	0	115.2
219	L	29.1	Very low	30.6	Very low	182 Å²	182	153.1 Å²	153.1	95%	0.953	76%	0.756	S	S	*	*	S	Bend	trans	-106.8	14.4	172.8	-79.9	166.1	0	0	0	114.5
220	A	26.2	Very low	30.4	Very low	90 Å²	90	157.7 Å²	157.7	74%	0.744	78%	0.782	S	S	*	*	S	Bend	trans	-113.2	9.3	-177.5	0	0	0	0	0	115.4
221	F	28.5	Very low	30.1	Very low	200 Å²	200	162.4 Å²	162.4	88%	0.877	80%	0.803	S	S	*	*	S	Bend	trans	-122.6	17.3	-178.5	-81.6	-76.4	0	0	0	115.2
222	L	27.9	Very low	29.7	Very low	161 Å²	161	157.8 Å²	157.8	84%	0.843	80%	0.8	S	S	*	*	S	Bend	trans	-136.8	35.7	179.8	-72	174.8	0	0	0	114
223	N	25.9	Very low	29	Very low	164 Å²	164	155.5 Å²	155.5	88%	0.877	81%	0.808	S	S	*	*			trans	-143.1	69	167.1	-84.3	-32.8	0	0	0	109.7
224	E	34.5	Very low	29.3	Very low	271 Å²	271	165.5 Å²	165.5	100%	1.266	84%	0.839	S	S	*	*			trans	-150.9	0	149.8	-97.5	-177	-174	0	0	108.1

Retrieved 224 of 224 residues in 99.5 ms (Link to these results)

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