A0A3Q0KRI7_SCHMA Loading...

Putative crp3/crip3

AlphaFold DB , UniProt , Accession A0A3Q0KRI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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	48.6	Very low	67.8	Low	236 Å²	236	138.4 Å²	138.4	100%	1.163	68%	0.676	S	S	*	*				0	98.7	0	-68.7	166.6	172.7	0	0	108.7	K3	M1-K3 PolarHBondContact O-N 2.8Å
2	M	52.5	Low	69.2	Low	185 Å²	185	131.4 Å²	131.4	91%	0.911	65%	0.65	S	S	*	*			trans	-74.5	104.3	171.8	-69.4	166.8	169.9	0	0	107.1	N4	M2-N4 VanDerWaalsContact C-N 3.34Å; M2-N4 PolarHBondContact O-N 3.05Å
3	K	59	Low	70.6	Confident	190 Å²	190	126.7 Å²	126.7	83%	0.826	63%	0.632	S	S	*	*			trans	-64.8	103.1	166.6	-68.4	179.8	179.3	179.8	0	105.7	M1 R5	M1-K3 PolarHBondContact O-N 2.8Å; K3-R5 VanDerWaalsContact C-N 3.35Å; K3-R5 WeakPolarHBondContact O-CG 3.14Å; K3-R5 PolarHBondContact O-N 2.94Å
4	N	57.3	Low	71.9	Confident	147 Å²	147	120.7 Å²	120.7	79%	0.786	61%	0.608	S	S	*	*			trans	-52.4	105	167.1	-86.3	-12.9	0	0	0	106.5	M2 F6	M2-N4 VanDerWaalsContact C-N 3.34Å; M2-N4 PolarHBondContact O-N 3.05Å; N4-F6 PolarHBondContact O-N 3.32Å
5	R	59.1	Low	72.9	Confident	241 Å²	241	119.2 Å²	119.2	91%	0.909	61%	0.613	S	S	*	*			trans	-75.8	25.9	179.8	-54.9	-172.9	-142.8	159.6	5.1	112	K3 E7	K3-R5 VanDerWaalsContact C-N 3.35Å; K3-R5 WeakPolarHBondContact O-CG 3.14Å; K3-R5 PolarHBondContact O-N 2.94Å; R5-E7 PolarHBondContact O-N 2.96Å
6	F	65.9	Low	73.9	Confident	141 Å²	141	120.6 Å²	120.6	62%	0.618	61%	0.613	S	S	*	*			trans	-102.1	70.6	178.8	-113.8	-110.2	0	0	0	106.6	N4 P8 F20	N4-F6 PolarHBondContact O-N 3.32Å; F6-P8 WeakPolarHBondContact O-CD 3.22Å; F6-F20 HydrophobicContact CD1-CD2 4.44Å; F6-F20 AromaticContact CD1-CE2 3.87Å; F6-F20 HydrophobicContact CD1-CE2 3.87Å; F6-F20 AromaticContact CE1-CD2 3.31Å; F6-F20 HydrophobicContact CE1-CD2 3.31Å; F6-F20 AromaticContact CE1-CE2 3.01Å; F6-F20 HydrophobicContact CE1-CE2 3.01Å; F6-F20 HydrophobicContact CE1-CZ 4.1Å; F6-F20 HydrophobicContact CE2-CD2 4.46Å; F6-F20 AromaticContact CE2-CE2 3.75Å; F6-F20 HydrophobicContact CE2-CE2 3.75Å; F6-F20 HydrophobicContact CE2-CZ 4.08Å; F6-F20 AromaticContact CZ-CD2 3.32Å; F6-F20 HydrophobicContact CZ-CD2 3.32Å; F6-F20 AromaticContact CZ-CE2 2.92Å; F6-F20 HydrophobicContact CZ-CE2 2.92Å; F6-F20 HydrophobicContact CZ-CG 4.35Å; F6-F20 AromaticContact CZ-CZ 3.65Å; F6-F20 HydrophobicContact CZ-CZ 3.65Å
7	E	70.2	Confident	74.8	Confident	180 Å²	180	117.7 Å²	117.7	84%	0.841	60%	0.6	S	S	*	*			trans	-66.1	113.4	160.7	-84.6	176.1	129.5	0	0	106.4	R5 V9	R5-E7 PolarHBondContact O-N 2.96Å; E7-V9 PolarHBondContact O-N 3.42Å
8	P	71.5	Confident	75.5	Confident	75 Å²	75	111.6 Å²	111.6	49%	0.487	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-68	121.1	-175.8	27.1	-32.2	0	0	0	109	F6 A10 N17	F6-P8 WeakPolarHBondContact O-CD 3.22Å; P8-A10 PolarHBondContact O-N 3.22Å; P8-N17 HydrophobicContact CB-CB 4.03Å; P8-N17 WeakPolarHBondContact CB-ND2 3.45Å; P8-N17 WeakPolarHBondContact CG-ND2 3.5Å
9	V	84.1	Confident	76.1	Confident	69 Å²	69	114 Å²	114	42%	0.418	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-71.5	122.5	176.5	-169.6	0	0	0	0	108.4	E7 V18 A30	E7-V9 PolarHBondContact O-N 3.42Å; V9-V18 WeakPolarHBondContact O-CB 3.28Å; V9-V18 PolarHBondContact O-N 2.79Å; V9-A30 HydrophobicContact CB-CB 3.88Å; V9-A30 HydrophobicContact CG1-CB 3.43Å; V9-A30 VanDerWaalsContact CG1-CB 3.43Å
10	A	88	Confident	76.5	Confident	57 Å²	57	114.6 Å²	114.6	47%	0.471	57%	0.57	S	S	.	*	B	Isolated β-bridge	trans	-85.6	136	177.8	0	0	0	0	0	111.1	P8	P8-A10 PolarHBondContact O-N 3.22Å
11	C	89.6	Confident	76.9	Confident	1 Å²	1	112.9 Å²	112.9	1%	0.007	57%	0.574	C	S	.	*	P	Polyproline II helix	trans	-71.6	128.5	174.1	-179.6	0	0	0	0	109.9	V13 S15 K16 V18 A30 H32	C11-V13 PolarHBondContact O-N 3.3Å; C11-V13 VanDerWaalsContact O-N 3.17Å; C11-S15 WeakPolarHBondContact O-CA 3.39Å; C11-S15 PolarHBondContact O-N 3.5Å; C11-K16 PolarHBondContact N-O 3.47Å; C11-V18 HydrophobicContact CB-CG2 3.58Å; C11-A30 WeakPolarHBondContact CA-O 3.1Å; C11-H32 WeakPolarHBondContact CB-ND1 3.22Å
12	P	85	Confident	78.7	Confident	55 Å²	55	105.7 Å²	105.7	36%	0.357	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.9	-179.4	30.6	-37.8	0	0	0	113.7	A30 F31	P12-A30 WeakPolarHBondContact CD-O 3.39Å; P12-F31 HydrophobicContact CG-CD1 3.84Å; P12-F31 HydrophobicContact CG-CE1 3.23Å; P12-F31 HydrophobicContact CG-CZ 3.65Å
13	V	86.6	Confident	80.3	Confident	70 Å²	70	98.5 Å²	98.5	42%	0.424	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-43.3	-179.4	179.7	0	0	0	0	111.7	C11 F31 C35	C11-V13 PolarHBondContact O-N 3.3Å; C11-V13 VanDerWaalsContact O-N 3.17Å; V13-F31 HydrophobicContact CG2-CD1 3.89Å; V13-F31 HydrophobicContact CG2-CE1 3.98Å; V13-C35 HydrophobicContact CB-CB 4.01Å; V13-C35 HydrophobicContact CG1-CB 4.19Å; V13-C35 HydrophobicContact CG2-CB 4.39Å
14	C	89.4	Confident	81.6	Confident	43 Å²	43	91.2 Å²	91.2	29%	0.291	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-4.1	-175.8	70.6	0	0	0	0	113.8	K16 H32	C14-K16 PolarHBondContact O-N 3.26Å; C14-H32 PolarHBondContact SG-CE1 2.93Å; C14-H32 PolarHBondContact SG-ND1 3.17Å
15	S	86.8	Confident	82.9	Confident	98 Å²	98	92.8 Å²	92.8	69%	0.685	47%	0.467	S	S	*	.			trans	59.5	11.8	-177.5	-52.3	0	0	0	0	115.2	C11	C11-S15 WeakPolarHBondContact O-CA 3.39Å; C11-S15 PolarHBondContact O-N 3.5Å
16	K	88.7	Confident	83.9	Confident	142 Å²	142	81.9 Å²	81.9	62%	0.617	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-92.1	156.3	176.6	-59.7	178.2	-174.7	179.6	0	111.6	C11 C14 V18 H32	C11-K16 PolarHBondContact N-O 3.47Å; C14-K16 PolarHBondContact O-N 3.26Å; K16-V18 PolarHBondContact O-N 2.86Å; K16-H32 PolarHBondContact O-CE1 2.88Å
17	N	89.4	Confident	84.4	Confident	71 Å²	71	79.5 Å²	79.5	38%	0.38	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-62.6	132	176.7	-54.5	40.6	0	0	0	110	P8 H32	P8-N17 HydrophobicContact CB-CB 4.03Å; P8-N17 WeakPolarHBondContact CB-ND2 3.45Å; P8-N17 WeakPolarHBondContact CG-ND2 3.5Å; N17-H32 PolarHBondContact O-NE2 2.85Å
18	V	88.1	Confident	85	Confident	7 Å²	7	75.2 Å²	75.2	4%	0.042	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-94.6	120	174.2	-174.9	0	0	0	0	107.6	V9 C11 K16 E23 A30	V9-V18 WeakPolarHBondContact O-CB 3.28Å; V9-V18 PolarHBondContact O-N 2.79Å; C11-V18 HydrophobicContact CB-CG2 3.58Å; K16-V18 PolarHBondContact O-N 2.86Å; V18-E23 VanDerWaalsContact CG1-CA 3.49Å; V18-E23 HydrophobicContact CG1-CB 3.64Å; V18-E23 HydrophobicContact CG1-CG 4.04Å; V18-A30 HydrophobicContact CB-CB 4.12Å; V18-A30 HydrophobicContact CG1-CB 4.14Å; V18-A30 HydrophobicContact CG2-CB 4.19Å
19	Y	86.5	Confident	85.6	Confident	158 Å²	158	78 Å²	78	62%	0.62	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-90.4	149.4	173.4	-61.5	-83.1	0	0	0	109.7	A21 E22 E23	Y19-A21 PolarHBondContact O-N 3.07Å; Y19-E22 PolarHBondContact O-N 3.19Å; Y19-E23 PolarHBondContact O-N 3.5Å; Y19-E23 VanDerWaalsContact O-N 3.15Å
20	F	82.9	Confident	85.8	Confident	125 Å²	125	74.8 Å²	74.8	55%	0.548	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-28	-177	-77.1	-97.6	0	0	0	114.4	F6	F6-F20 HydrophobicContact CD1-CD2 4.44Å; F6-F20 AromaticContact CD1-CE2 3.87Å; F6-F20 HydrophobicContact CD1-CE2 3.87Å; F6-F20 AromaticContact CE1-CD2 3.31Å; F6-F20 HydrophobicContact CE1-CD2 3.31Å; F6-F20 AromaticContact CE1-CE2 3.01Å; F6-F20 HydrophobicContact CE1-CE2 3.01Å; F6-F20 HydrophobicContact CE1-CZ 4.1Å; F6-F20 HydrophobicContact CE2-CD2 4.46Å; F6-F20 AromaticContact CE2-CE2 3.75Å; F6-F20 HydrophobicContact CE2-CE2 3.75Å; F6-F20 HydrophobicContact CE2-CZ 4.08Å; F6-F20 AromaticContact CZ-CD2 3.32Å; F6-F20 HydrophobicContact CZ-CD2 3.32Å; F6-F20 AromaticContact CZ-CE2 2.92Å; F6-F20 HydrophobicContact CZ-CE2 2.92Å; F6-F20 HydrophobicContact CZ-CG 4.35Å; F6-F20 AromaticContact CZ-CZ 3.65Å; F6-F20 HydrophobicContact CZ-CZ 3.65Å
21	A	85.6	Confident	85.8	Confident	79 Å²	79	72.4 Å²	72.4	65%	0.653	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.8	178.6	0	0	0	0	0	114.1	Y19 K33	Y19-A21 PolarHBondContact O-N 3.07Å; A21-K33 PolarHBondContact O-NZ 2.87Å
22	E	85.8	Confident	85.8	Confident	86 Å²	86	73.2 Å²	73.2	40%	0.402	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	5.7	-175.4	-61	-165.2	137.4	0	0	113.2	Y19 I24 H32 K33	Y19-E22 PolarHBondContact O-N 3.19Å; E22-I24 PolarHBondContact O-N 3.22Å; E22-H32 CarbonylContact O-C 3.46Å; E22-H32 WeakPolarHBondContact O-CA 3.44Å; E22-H32 IonicContact OE2-CD2 2.66Å; E22-K33 PolarHBondContact O-N 2.99Å
23	E	86.5	Confident	85.9	Confident	33 Å²	33	76.4 Å²	76.4	15%	0.154	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124	-177.6	179.6	169.9	172.9	0	0	111.8	V18 Y19 R25 A30	V18-E23 VanDerWaalsContact CG1-CA 3.49Å; V18-E23 HydrophobicContact CG1-CB 3.64Å; V18-E23 HydrophobicContact CG1-CG 4.04Å; Y19-E23 PolarHBondContact O-N 3.5Å; Y19-E23 VanDerWaalsContact O-N 3.15Å; E23-R25 HydrophobicContact CG-CG 4.04Å; E23-R25 WeakPolarHBondContact OE1-CD 3.4Å; E23-R25 WeakPolarHBondContact OE1-CG 3.04Å; E23-R25 IonicContact OE1-CZ 3.42Å; E23-R25 IonicContact OE1-NE 2.77Å; E23-R25 PolarHBondContact OE1-NE 2.99Å; E23-R25 IonicContact OE1-NH2 3.35Å; E23-R25 PolarHBondContact OE1-NH2 3.17Å; E23-R25 IonicContact OE2-NH2 3.71Å; E23-A30 HydrophobicContact CG-CB 3.93Å
24	I	86.4	Confident	86	Confident	38 Å²	38	80.5 Å²	80.5	20%	0.195	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.1	159.1	-59.8	-176.4	0	0	0	107.2	E22 A30 F31 K33 F36	E22-I24 PolarHBondContact O-N 3.22Å; I24-A30 WeakPolarHBondContact O-CA 3.41Å; I24-F31 PolarHBondContact N-O 2.81Å; I24-F31 PolarHBondContact O-N 3.43Å; I24-K33 HydrophobicContact CD1-CB 4.24Å; I24-K33 HydrophobicContact CD1-CG 3.89Å; I24-K33 HydrophobicContact CG1-CG 3.83Å; I24-F36 HydrophobicContact CD1-CB 3.87Å; I24-F36 HydrophobicContact CD1-CD1 4.04Å; I24-F36 HydrophobicContact CD1-CG 4.06Å; I24-F36 HydrophobicContact CG2-CD1 4.31Å; I24-F36 HydrophobicContact CG2-CD2 4.26Å; I24-F36 HydrophobicContact CG2-CE1 4.37Å; I24-F36 HydrophobicContact CG2-CE2 4.34Å; I24-F36 HydrophobicContact CG2-CG 4.24Å; I24-F36 HydrophobicContact CG2-CZ 4.36Å
25	R	85.6	Confident	86	Confident	180 Å²	180	79.2 Å²	79.2	68%	0.679	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.1	170.8	-69.9	-174.3	178.3	174.1	3.9	109.3	E23	E23-R25 HydrophobicContact CG-CG 4.04Å; E23-R25 WeakPolarHBondContact OE1-CD 3.4Å; E23-R25 WeakPolarHBondContact OE1-CG 3.04Å; E23-R25 IonicContact OE1-CZ 3.42Å; E23-R25 IonicContact OE1-NE 2.77Å; E23-R25 PolarHBondContact OE1-NE 2.99Å; E23-R25 IonicContact OE1-NH2 3.35Å; E23-R25 PolarHBondContact OE1-NH2 3.17Å; E23-R25 IonicContact OE2-NH2 3.71Å
26	A	79.9	Confident	86.1	Confident	11 Å²	11	74.6 Å²	74.6	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135	173.1	0	0	0	0	0	109.1	G28 R29 F31 F36	A26-G28 PolarHBondContact O-N 3.4Å; A26-G28 VanDerWaalsContact O-N 3.13Å; A26-R29 PolarHBondContact N-O 3.29Å; A26-R29 PolarHBondContact O-N 2.84Å; A26-F31 HydrophobicContact CB-CD2 4.31Å; A26-F31 HydrophobicContact CB-CE2 4.22Å; A26-F36 HydrophobicContact CB-CD2 4.5Å; A26-F36 HydrophobicContact CB-CE2 3.44Å; A26-F36 VanDerWaalsContact CB-CE2 3.44Å; A26-F36 HydrophobicContact CB-CZ 3.76Å
27	M	76.2	Confident	86.1	Confident	92 Å²	92	72.3 Å²	72.3	45%	0.453	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	37.7	171.2	-63.8	162.4	148.9	0	0	113.3	R29 D52	M27-R29 PolarHBondContact O-N 3.5Å; M27-D52 HydrophobicContact CE-CB 4.11Å; M27-D52 VanDerWaalsContact CE-N 3.32Å; M27-D52 WeakPolarHBondContact CE-OD1 3.11Å; M27-D52 HydrophobicContact SD-CB 3.34Å; M27-D52 WeakPolarHBondContact SD-CB 3.49Å; M27-D52 PolarHBondContact SD-N 3.31Å
28	G	81.5	Confident	86.2	Confident	90 Å²	90	69 Å²	69	93%	0.928	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	6.9	-179.4	0	0	0	0	0	115.3	A26	A26-G28 PolarHBondContact O-N 3.4Å; A26-G28 VanDerWaalsContact O-N 3.13Å
29	R	84.9	Confident	86.2	Confident	132 Å²	132	72.2 Å²	72.2	50%	0.498	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.5	179.4	-60.4	-179.2	-176.9	-177.3	-0.8	111.1	A26 M27 F31	A26-R29 PolarHBondContact N-O 3.29Å; A26-R29 PolarHBondContact O-N 2.84Å; M27-R29 PolarHBondContact O-N 3.5Å; R29-F31 HydrophobicContact CB-CE2 3.77Å; R29-F31 HydrophobicContact CB-CZ 4.17Å
30	A	87.4	Confident	86.2	Confident	3 Å²	3	70.5 Å²	70.5	3%	0.025	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.7	173.4	0	0	0	0	0	110.5	V9 C11 P12 V18 E23 I24	V9-A30 HydrophobicContact CB-CB 3.88Å; V9-A30 HydrophobicContact CG1-CB 3.43Å; V9-A30 VanDerWaalsContact CG1-CB 3.43Å; C11-A30 WeakPolarHBondContact CA-O 3.1Å; P12-A30 WeakPolarHBondContact CD-O 3.39Å; V18-A30 HydrophobicContact CB-CB 4.12Å; V18-A30 HydrophobicContact CG1-CB 4.14Å; V18-A30 HydrophobicContact CG2-CB 4.19Å; E23-A30 HydrophobicContact CG-CB 3.93Å; I24-A30 WeakPolarHBondContact O-CA 3.41Å
31	F	88.8	Confident	86.6	Confident	6 Å²	6	67 Å²	67	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.8	175.1	-60.7	-98.3	0	0	0	109.7	P12 V13 I24 A26 R29 F36 L57	P12-F31 HydrophobicContact CG-CD1 3.84Å; P12-F31 HydrophobicContact CG-CE1 3.23Å; P12-F31 HydrophobicContact CG-CZ 3.65Å; V13-F31 HydrophobicContact CG2-CD1 3.89Å; V13-F31 HydrophobicContact CG2-CE1 3.98Å; I24-F31 PolarHBondContact N-O 2.81Å; I24-F31 PolarHBondContact O-N 3.43Å; A26-F31 HydrophobicContact CB-CD2 4.31Å; A26-F31 HydrophobicContact CB-CE2 4.22Å; R29-F31 HydrophobicContact CB-CE2 3.77Å; R29-F31 HydrophobicContact CB-CZ 4.17Å; F31-F36 HydrophobicContact CB-CB 4.34Å; F31-F36 HydrophobicContact CB-CD2 3.96Å; F31-F36 HydrophobicContact CD1-CD2 4.46Å; F31-F36 HydrophobicContact CD2-CD2 4.02Å; F31-F36 HydrophobicContact CD2-CE2 4.24Å; F31-F36 AromaticContact CG-CD2 3.92Å; F31-F36 HydrophobicContact CG-CD2 3.92Å; F31-L57 HydrophobicContact CD1-CD1 3.76Å; F31-L57 HydrophobicContact CE1-CD1 3.57Å; F31-L57 HydrophobicContact CE1-CD2 4.29Å; F31-L57 HydrophobicContact CE1-CG 3.96Å; F31-L57 HydrophobicContact CG-CD1 4.37Å; F31-L57 HydrophobicContact CZ-CD1 4.09Å; F31-L57 HydrophobicContact CZ-CD2 4.02Å; F31-L57 HydrophobicContact CZ-CG 4.2Å
32	H	90	Very high	86.7	Confident	18 Å²	18	67.5 Å²	67.5	8%	0.083	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.2	164	-54.6	94.6	0	0	0	109.9	C11 C14 K16 N17 E22 Q34 C35 F36	C11-H32 WeakPolarHBondContact CB-ND1 3.22Å; C14-H32 PolarHBondContact SG-CE1 2.93Å; C14-H32 PolarHBondContact SG-ND1 3.17Å; K16-H32 PolarHBondContact O-CE1 2.88Å; N17-H32 PolarHBondContact O-NE2 2.85Å; E22-H32 CarbonylContact O-C 3.46Å; E22-H32 WeakPolarHBondContact O-CA 3.44Å; E22-H32 IonicContact OE2-CD2 2.66Å; H32-Q34 PolarHBondContact O-N 2.86Å; H32-Q34 VanDerWaalsContact O-N 3.1Å; H32-C35 HydrophobicContact CB-CB 3.98Å; H32-C35 CarbonylContact O-C 3.56Å; H32-C35 WeakPolarHBondContact O-CA 3.12Å; H32-C35 PolarHBondContact O-N 2.83Å; H32-F36 PolarHBondContact O-N 2.94Å
33	K	87.4	Confident	86.8	Confident	123 Å²	123	70.1 Å²	70.1	54%	0.535	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-39.5	170.3	-68.4	173.1	-179.6	172.4	0	112.9	A21 E22 I24	A21-K33 PolarHBondContact O-NZ 2.87Å; E22-K33 PolarHBondContact O-N 2.99Å; I24-K33 HydrophobicContact CD1-CB 4.24Å; I24-K33 HydrophobicContact CD1-CG 3.89Å; I24-K33 HydrophobicContact CG1-CG 3.83Å
34	Q	87.9	Confident	86.8	Confident	155 Å²	155	72.5 Å²	72.5	72%	0.724	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-21.4	178.5	-62.5	-175.8	-25.9	0	0	114.6	H32 K37	H32-Q34 PolarHBondContact O-N 2.86Å; H32-Q34 VanDerWaalsContact O-N 3.1Å; Q34-K37 PolarHBondContact O-NZ 3.15Å
35	C	88.7	Confident	86.8	Confident	17 Å²	17	71.5 Å²	71.5	12%	0.115	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.5	177.7	-70.5	0	0	0	0	112.3	V13 H32 K37	V13-C35 HydrophobicContact CB-CB 4.01Å; V13-C35 HydrophobicContact CG1-CB 4.19Å; V13-C35 HydrophobicContact CG2-CB 4.39Å; H32-C35 HydrophobicContact CB-CB 3.98Å; H32-C35 CarbonylContact O-C 3.56Å; H32-C35 WeakPolarHBondContact O-CA 3.12Å; H32-C35 PolarHBondContact O-N 2.83Å; C35-K37 PolarHBondContact O-N 2.94Å
36	F	89	Confident	86.5	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	37%	0.372	C	S	.	.			trans	-78	67.5	-179	-160.3	-107.3	0	0	0	111.8	I24 A26 F31 H32 L45 A50 L57	I24-F36 HydrophobicContact CD1-CB 3.87Å; I24-F36 HydrophobicContact CD1-CD1 4.04Å; I24-F36 HydrophobicContact CD1-CG 4.06Å; I24-F36 HydrophobicContact CG2-CD1 4.31Å; I24-F36 HydrophobicContact CG2-CD2 4.26Å; I24-F36 HydrophobicContact CG2-CE1 4.37Å; I24-F36 HydrophobicContact CG2-CE2 4.34Å; I24-F36 HydrophobicContact CG2-CG 4.24Å; I24-F36 HydrophobicContact CG2-CZ 4.36Å; A26-F36 HydrophobicContact CB-CD2 4.5Å; A26-F36 HydrophobicContact CB-CE2 3.44Å; A26-F36 VanDerWaalsContact CB-CE2 3.44Å; A26-F36 HydrophobicContact CB-CZ 3.76Å; F31-F36 HydrophobicContact CB-CB 4.34Å; F31-F36 HydrophobicContact CB-CD2 3.96Å; F31-F36 HydrophobicContact CD1-CD2 4.46Å; F31-F36 HydrophobicContact CD2-CD2 4.02Å; F31-F36 HydrophobicContact CD2-CE2 4.24Å; F31-F36 AromaticContact CG-CD2 3.92Å; F31-F36 HydrophobicContact CG-CD2 3.92Å; H32-F36 PolarHBondContact O-N 2.94Å; F36-L45 HydrophobicContact CD1-CB 3.76Å; F36-L45 WeakPolarHBondContact CD1-O 3.49Å; F36-L45 HydrophobicContact CE1-CB 3.63Å; F36-L45 HydrophobicContact CZ-CB 4.43Å; F36-L45 PolarHBondContact O-N 3.3Å; F36-A50 HydrophobicContact CE1-CB 3.76Å; F36-A50 HydrophobicContact CE2-CB 3.99Å; F36-A50 HydrophobicContact CZ-CB 3.22Å; F36-L57 HydrophobicContact CD2-CD1 3.46Å; F36-L57 VanDerWaalsContact CD2-CD1 3.46Å; F36-L57 HydrophobicContact CE2-CD1 3.81Å; F36-L57 HydrophobicContact CE2-CD2 4.04Å; F36-L57 HydrophobicContact CG-CD1 4.26Å
37	K	90.4	Very high	86.3	Confident	94 Å²	94	69.5 Å²	69.5	41%	0.409	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-133.7	154.4	-177.7	66.1	-167.6	171.3	-146.9	0	110.8	Q34 C35 C39 K43	Q34-K37 PolarHBondContact O-NZ 3.15Å; C35-K37 PolarHBondContact O-N 2.94Å; K37-C39 PolarHBondContact O-N 2.8Å; K37-K43 CarbonylContact C-O 3.6Å; K37-K43 VanDerWaalsContact CA-O 3.3Å; K37-K43 WeakPolarHBondContact CA-O 3.35Å
38	C	91.3	Very high	86.3	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.007	40%	0.403	C	S	.	.			trans	-66	128.4	177.6	-179.7	0	0	0	0	110.8	Q40 C41 S42 K43 L45 L57 C59	C38-Q40 VanDerWaalsContact C-N 3.26Å; C38-Q40 PolarHBondContact O-N 3.32Å; C38-Q40 PolarHBondContact SG-N 2.66Å; C38-C41 WeakPolarHBondContact CB-SG 3.46Å; C38-C41 PolarHBondContact SG-SG 3.38Å; C38-S42 WeakPolarHBondContact O-CA 3.46Å; C38-S42 PolarHBondContact O-N 2.95Å; C38-K43 PolarHBondContact N-O 3.27Å; C38-L45 HydrophobicContact CB-CD1 4.3Å; C38-L45 HydrophobicContact CB-CD2 4.18Å; C38-L45 HydrophobicContact CB-CG 4.35Å; C38-L57 CarbonylContact C-O 3.58Å; C38-L57 WeakPolarHBondContact CA-O 3.3Å; C38-C59 HydrophobicContact CB-CB 4.21Å; C38-C59 PolarHBondContact SG-N 3.32Å
39	C	87.6	Confident	86.2	Confident	75 Å²	75	72.7 Å²	72.7	51%	0.507	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.2	176.5	-65.8	0	0	0	0	112.6	K37 L57 Y58	K37-C39 PolarHBondContact O-N 2.8Å; C39-L57 PolarHBondContact N-O 2.89Å; C39-Y58 HydrophobicContact CB-CE1 4.42Å
40	Q	87.5	Confident	86.1	Confident	122 Å²	122	66.9 Å²	66.9	57%	0.57	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-46.8	-177.6	-169.6	70.2	-10.9	0	0	114.9	C38 Y58 C62	C38-Q40 VanDerWaalsContact C-N 3.26Å; C38-Q40 PolarHBondContact O-N 3.32Å; C38-Q40 PolarHBondContact SG-N 2.66Å; Q40-Y58 HydrophobicContact CB-CD1 4.34Å; Q40-Y58 HydrophobicContact CB-CE1 4.34Å; Q40-C62 HydrophobicContact CB-CB 4.05Å; Q40-C62 HydrophobicContact CG-CB 4.43Å
41	C	90.8	Very high	86.1	Confident	51 Å²	51	69.2 Å²	69.2	35%	0.345	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-0.9	-175.5	65	0	0	0	0	114	C38 K43	C38-C41 WeakPolarHBondContact CB-SG 3.46Å; C38-C41 PolarHBondContact SG-SG 3.38Å; C41-K43 PolarHBondContact O-N 2.81Å; C41-K43 WeakPolarHBondContact SG-CB 3.39Å
42	S	87.5	Confident	86	Confident	90 Å²	90	72.6 Å²	72.6	63%	0.629	39%	0.39	S	S	*	.			trans	55.6	7.2	-173.7	68.6	0	0	0	0	115.8	C38 A44	C38-S42 WeakPolarHBondContact O-CA 3.46Å; C38-S42 PolarHBondContact O-N 2.95Å; S42-A44 PolarHBondContact O-N 3.37Å
43	K	87.3	Confident	85.7	Confident	141 Å²	141	73.5 Å²	73.5	61%	0.613	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-64.3	131.1	177.3	-176.2	176.5	-73.6	-164	0	110	K37 C38 C41 L45	K37-K43 CarbonylContact C-O 3.6Å; K37-K43 VanDerWaalsContact CA-O 3.3Å; K37-K43 WeakPolarHBondContact CA-O 3.35Å; C38-K43 PolarHBondContact N-O 3.27Å; C41-K43 PolarHBondContact O-N 2.81Å; C41-K43 WeakPolarHBondContact SG-CB 3.39Å; K43-L45 PolarHBondContact O-N 3Å
44	A	87.5	Confident	85.4	Confident	82 Å²	82	76.7 Å²	76.7	68%	0.678	41%	0.408	S	S	*	.	B	Isolated β-bridge	trans	-57.3	126.6	170.3	0	0	0	0	0	109.4	S42	S42-A44 PolarHBondContact O-N 3.37Å
45	L	84.6	Confident	85	Confident	17 Å²	17	70.8 Å²	70.8	9%	0.089	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-93.1	152.7	178.8	-61.9	173.5	0	0	0	108.9	F36 C38 K43 A50 L57 C59	F36-L45 HydrophobicContact CD1-CB 3.76Å; F36-L45 WeakPolarHBondContact CD1-O 3.49Å; F36-L45 HydrophobicContact CE1-CB 3.63Å; F36-L45 HydrophobicContact CZ-CB 4.43Å; F36-L45 PolarHBondContact O-N 3.3Å; C38-L45 HydrophobicContact CB-CD1 4.3Å; C38-L45 HydrophobicContact CB-CD2 4.18Å; C38-L45 HydrophobicContact CB-CG 4.35Å; K43-L45 PolarHBondContact O-N 3Å; L45-A50 HydrophobicContact CB-CB 4.02Å; L45-A50 HydrophobicContact CD1-CB 3.83Å; L45-A50 HydrophobicContact CG-CB 4.46Å; L45-L57 HydrophobicContact CD1-CB 3.91Å; L45-C59 VanDerWaalsContact CD2-CA 3.46Å; L45-C59 HydrophobicContact CD2-CB 3.42Å; L45-C59 VanDerWaalsContact CD2-CB 3.42Å
46	D	81.4	Confident	84.8	Confident	92 Å²	92	72.1 Å²	72.1	49%	0.492	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-101.7	150.7	163.5	-169.7	6	0	0	0	108.8	F48 T49 A50	D46-F48 PolarHBondContact O-N 2.89Å; D46-T49 PolarHBondContact N-OG1 2.94Å; D46-T49 VanDerWaalsContact N-OG1 3.15Å; D46-T49 PolarHBondContact O-N 3.34Å; D46-T49 PolarHBondContact O-OG1 2.99Å; D46-T49 VanDerWaalsContact O-OG1 3.09Å; D46-A50 PolarHBondContact O-N 3.13Å
47	S	74.6	Confident	84.7	Confident	57 Å²	57	72.2 Å²	72.2	40%	0.399	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42	-32.8	177	53.3	0	0	0	0	113.8
48	F	75.6	Confident	84.7	Confident	179 Å²	179	68.9 Å²	68.9	79%	0.785	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.9	178.7	-60.8	-78	0	0	0	115.5	D46	D46-F48 PolarHBondContact O-N 2.89Å
49	T	79.3	Confident	84.6	Confident	70 Å²	70	69.5 Å²	69.5	43%	0.429	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-4.7	-169.7	59.6	0	0	0	0	114.3	D46	D46-T49 PolarHBondContact N-OG1 2.94Å; D46-T49 VanDerWaalsContact N-OG1 3.15Å; D46-T49 PolarHBondContact O-N 3.34Å; D46-T49 PolarHBondContact O-OG1 2.99Å; D46-T49 VanDerWaalsContact O-OG1 3.09Å
50	A	83.5	Confident	84.6	Confident	10 Å²	10	73.5 Å²	73.5	8%	0.083	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	133.1	178.3	0	0	0	0	0	111.4	F36 L45 D46 L57	F36-A50 HydrophobicContact CE1-CB 3.76Å; F36-A50 HydrophobicContact CE2-CB 3.99Å; F36-A50 HydrophobicContact CZ-CB 3.22Å; L45-A50 HydrophobicContact CB-CB 4.02Å; L45-A50 HydrophobicContact CD1-CB 3.83Å; L45-A50 HydrophobicContact CG-CB 4.46Å; D46-A50 PolarHBondContact O-N 3.13Å; A50-L57 HydrophobicContact CB-CD2 4.5Å
51	N	86.8	Confident	84.6	Confident	52 Å²	52	71.4 Å²	71.4	28%	0.278	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137	168	-61.9	-70.9	0	0	0	108.9	Y58 Y63	N51-Y58 PolarHBondContact N-O 2.91Å; N51-Y58 PolarHBondContact O-N 3.48Å; N51-Y63 HydrophobicContact CB-CD2 3.49Å; N51-Y63 VanDerWaalsContact CB-CD2 3.49Å; N51-Y63 HydrophobicContact CB-CE2 4.02Å; N51-Y63 HydrophobicContact CB-CG 3.79Å
52	D	86.7	Confident	84.6	Confident	78 Å²	78	69.5 Å²	69.5	42%	0.417	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	141	168	67.9	-45.8	0	0	0	110.1	M27 S56	M27-D52 HydrophobicContact CE-CB 4.11Å; M27-D52 VanDerWaalsContact CE-N 3.32Å; M27-D52 WeakPolarHBondContact CE-OD1 3.11Å; M27-D52 HydrophobicContact SD-CB 3.34Å; M27-D52 WeakPolarHBondContact SD-CB 3.49Å; M27-D52 PolarHBondContact SD-N 3.31Å; D52-S56 WeakPolarHBondContact CA-O 3.49Å
53	H	84.1	Confident	84.6	Confident	37 Å²	37	69 Å²	69	17%	0.171	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	117.4	164.8	-175.3	-89.8	0	0	0	108.5	G55 S56 Y58 Y63 Y67	H53-G55 PolarHBondContact O-N 2.82Å; H53-S56 PolarHBondContact N-O 3.1Å; H53-S56 PolarHBondContact O-N 3.45Å; H53-Y58 HydrophobicContact CB-CD2 3.81Å; H53-Y58 HydrophobicContact CB-CE2 3.76Å; H53-Y63 HydrophobicContact CB-CD2 4.28Å; H53-Y63 HydrophobicContact CB-CE2 3.92Å; H53-Y67 HydrophobicContact CB-CD2 3.87Å; H53-Y67 HydrophobicContact CB-CE2 3.61Å; H53-Y67 AromaticContact CD2-CD1 3.78Å; H53-Y67 AromaticContact CD2-CD2 3.82Å; H53-Y67 AromaticContact CD2-CG 3.66Å; H53-Y67 AromaticContact CE1-CD1 3.41Å; H53-Y67 VanDerWaalsContact CE1-CD1 3.41Å; H53-Y67 WeakPolarHBondContact CE1-CD1 3.4Å; H53-Y67 AromaticContact CE1-CE1 3.04Å; H53-Y67 WeakPolarHBondContact CE1-CE1 3.4Å; H53-Y67 AromaticContact CE1-CZ 3.37Å; H53-Y67 AromaticContact CG-CD2 3.61Å; H53-Y67 AromaticContact CG-CE1 3.88Å; H53-Y67 AromaticContact CG-CE2 3.42Å; H53-Y67 VanDerWaalsContact CG-CE2 3.42Å; H53-Y67 AromaticContact CG-CG 3.9Å; H53-Y67 AromaticContact CG-CZ 3.54Å; H53-Y67 AromaticContact ND1-CD1 3.83Å; H53-Y67 AromaticContact ND1-CD2 3.99Å; H53-Y67 AromaticContact ND1-CE1 3.28Å; H53-Y67 VanDerWaalsContact ND1-CE1 3.28Å; H53-Y67 WeakPolarHBondContact ND1-CE1 3.29Å; H53-Y67 AromaticContact ND1-CE2 3.44Å; H53-Y67 WeakPolarHBondContact ND1-CE2 3.4Å; H53-Y67 AromaticContact ND1-CZ 3.02Å; H53-Y67 PolarHBondContact ND1-OH 2.83Å; H53-Y67 AromaticContact NE2-CD1 3.4Å; H53-Y67 WeakPolarHBondContact NE2-CD1 3.16Å; H53-Y67 AromaticContact NE2-CE1 3.58Å; H53-Y67 AromaticContact NE2-CG 3.79Å
54	K	82.3	Confident	84.6	Confident	189 Å²	189	65 Å²	65	82%	0.822	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	38	-178.1	-60.1	178.6	179.5	-176.2	0	113.1	S56	K54-S56 VanDerWaalsContact C-N 3.31Å; K54-S56 PolarHBondContact O-N 2.89Å
55	G	78.8	Confident	84.5	Confident	32 Å²	32	68.4 Å²	68.4	33%	0.33	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	0.4	-179.9	0	0	0	0	0	116	H53	H53-G55 PolarHBondContact O-N 2.82Å
56	S	83.9	Confident	84.5	Confident	45 Å²	45	70.8 Å²	70.8	32%	0.315	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.3	173	-65.2	0	0	0	0	111.1	D52 H53 K54 Y58	D52-S56 WeakPolarHBondContact CA-O 3.49Å; H53-S56 PolarHBondContact N-O 3.1Å; H53-S56 PolarHBondContact O-N 3.45Å; K54-S56 VanDerWaalsContact C-N 3.31Å; K54-S56 PolarHBondContact O-N 2.89Å; S56-Y58 WeakPolarHBondContact O-CD2 3.38Å
57	L	88.2	Confident	84.7	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.016	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.2	-179.1	-67.9	174.1	0	0	0	111.4	F31 F36 C38 C39 L45 A50	F31-L57 HydrophobicContact CD1-CD1 3.76Å; F31-L57 HydrophobicContact CE1-CD1 3.57Å; F31-L57 HydrophobicContact CE1-CD2 4.29Å; F31-L57 HydrophobicContact CE1-CG 3.96Å; F31-L57 HydrophobicContact CG-CD1 4.37Å; F31-L57 HydrophobicContact CZ-CD1 4.09Å; F31-L57 HydrophobicContact CZ-CD2 4.02Å; F31-L57 HydrophobicContact CZ-CG 4.2Å; F36-L57 HydrophobicContact CD2-CD1 3.46Å; F36-L57 VanDerWaalsContact CD2-CD1 3.46Å; F36-L57 HydrophobicContact CE2-CD1 3.81Å; F36-L57 HydrophobicContact CE2-CD2 4.04Å; F36-L57 HydrophobicContact CG-CD1 4.26Å; C38-L57 CarbonylContact C-O 3.58Å; C38-L57 WeakPolarHBondContact CA-O 3.3Å; C39-L57 PolarHBondContact N-O 2.89Å; L45-L57 HydrophobicContact CD1-CB 3.91Å; A50-L57 HydrophobicContact CB-CD2 4.5Å
58	Y	89.1	Confident	84.8	Confident	23 Å²	23	68.2 Å²	68.2	9%	0.09	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.9	178.3	-64.7	-86.9	0	0	0	111.3	C39 Q40 N51 H53 S56 C62 Y67	C39-Y58 HydrophobicContact CB-CE1 4.42Å; Q40-Y58 HydrophobicContact CB-CD1 4.34Å; Q40-Y58 HydrophobicContact CB-CE1 4.34Å; N51-Y58 PolarHBondContact N-O 2.91Å; N51-Y58 PolarHBondContact O-N 3.48Å; H53-Y58 HydrophobicContact CB-CD2 3.81Å; H53-Y58 HydrophobicContact CB-CE2 3.76Å; S56-Y58 WeakPolarHBondContact O-CD2 3.38Å; Y58-C62 HydrophobicContact CD1-CB 4.23Å; Y58-Y67 HydrophobicContact CD1-CE2 4.33Å; Y58-Y67 AromaticContact CD2-CE2 3.92Å; Y58-Y67 HydrophobicContact CD2-CE2 3.92Å; Y58-Y67 HydrophobicContact CE1-CE2 4.07Å; Y58-Y67 AromaticContact CE2-CE2 3.62Å; Y58-Y67 HydrophobicContact CE2-CE2 3.62Å; Y58-Y67 HydrophobicContact CG-CE2 4.26Å; Y58-Y67 AromaticContact CZ-CE2 3.71Å; Y58-Y67 PolarHBondContact OH-OH 3.33Å; Y58-Y67 VanDerWaalsContact OH-OH 3.07Å
59	C	90.3	Very high	84.6	Confident	15 Å²	15	66 Å²	66	10%	0.101	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	156.7	167.2	73.6	0	0	0	0	110.1	C38 L45 S61 C62 Y63	C38-C59 HydrophobicContact CB-CB 4.21Å; C38-C59 PolarHBondContact SG-N 3.32Å; L45-C59 VanDerWaalsContact CD2-CA 3.46Å; L45-C59 HydrophobicContact CD2-CB 3.42Å; L45-C59 VanDerWaalsContact CD2-CB 3.42Å; C59-S61 PolarHBondContact O-N 2.94Å; C59-S61 VanDerWaalsContact O-N 3.09Å; C59-C62 PolarHBondContact O-N 3.02Å; C59-C62 VanDerWaalsContact SG-CB 3.57Å; C59-C62 PolarHBondContact SG-N 3.46Å; C59-C62 PolarHBondContact SG-SG 3.42Å; C59-Y63 WeakPolarHBondContact O-CB 3.41Å; C59-Y63 PolarHBondContact O-N 3.23Å
60	K	87.5	Confident	83.6	Confident	159 Å²	159	68.8 Å²	68.8	69%	0.691	37%	0.368	S	S	*	.	H	α-helix	trans	-45.3	-43.7	175.4	-173.1	176.5	-178.7	179	0	113.2	A64	K60-A64 VanDerWaalsContact O-CB 3.29Å; K60-A64 WeakPolarHBondContact O-CB 2.86Å; K60-A64 PolarHBondContact O-N 3.14Å
61	S	87.5	Confident	82.1	Confident	77 Å²	77	73.7 Å²	73.7	54%	0.538	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-42.6	179.9	-50.4	0	0	0	0	113.2	C59 K65	C59-S61 PolarHBondContact O-N 2.94Å; C59-S61 VanDerWaalsContact O-N 3.09Å; S61-K65 WeakPolarHBondContact O-CB 3.45Å; S61-K65 WeakPolarHBondContact O-CG 3.2Å; S61-K65 PolarHBondContact O-N 2.81Å
62	C	89.3	Confident	80.4	Confident	12 Å²	12	80.7 Å²	80.7	8%	0.081	43%	0.426	C	S	.	.	H	α-helix	trans	-73.6	-37	178.8	-71.3	0	0	0	0	111.5	Q40 Y58 C59 K65 N66	Q40-C62 HydrophobicContact CB-CB 4.05Å; Q40-C62 HydrophobicContact CG-CB 4.43Å; Y58-C62 HydrophobicContact CD1-CB 4.23Å; C59-C62 PolarHBondContact O-N 3.02Å; C59-C62 VanDerWaalsContact SG-CB 3.57Å; C59-C62 PolarHBondContact SG-N 3.46Å; C59-C62 PolarHBondContact SG-SG 3.42Å; C62-K65 PolarHBondContact O-N 2.99Å; C62-N66 WeakPolarHBondContact O-CB 3.17Å; C62-N66 PolarHBondContact O-N 3.09Å; C62-N66 PolarHBondContact O-OD1 2.99Å
63	Y	89	Confident	78.4	Confident	79 Å²	79	80 Å²	80	31%	0.31	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-48.7	173.6	-172	-86	0	0	0	110.5	N51 H53 C59 K65 N66 Y67 G68	N51-Y63 HydrophobicContact CB-CD2 3.49Å; N51-Y63 VanDerWaalsContact CB-CD2 3.49Å; N51-Y63 HydrophobicContact CB-CE2 4.02Å; N51-Y63 HydrophobicContact CB-CG 3.79Å; H53-Y63 HydrophobicContact CB-CD2 4.28Å; H53-Y63 HydrophobicContact CB-CE2 3.92Å; C59-Y63 WeakPolarHBondContact O-CB 3.41Å; C59-Y63 PolarHBondContact O-N 3.23Å; Y63-K65 VanDerWaalsContact C-N 3.31Å; Y63-K65 PolarHBondContact O-N 3.03Å; Y63-N66 PolarHBondContact O-N 2.9Å; Y63-Y67 AromaticContact CD2-CD2 3.9Å; Y63-Y67 HydrophobicContact CD2-CD2 3.9Å; Y63-Y67 HydrophobicContact CE2-CD2 4.13Å; Y63-Y67 HydrophobicContact CG-CD2 4.41Å; Y63-Y67 CarbonylContact O-C 3.52Å; Y63-Y67 WeakPolarHBondContact O-CA 3.41Å; Y63-Y67 WeakPolarHBondContact O-CB 3.34Å; Y63-Y67 PolarHBondContact O-N 3.04Å; Y63-G68 PolarHBondContact O-N 3.04Å
64	A	86.8	Confident	76.4	Confident	56 Å²	56	87.1 Å²	87.1	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-63.6	-33.1	176.6	0	0	0	0	0	113.4	K60 G68	K60-A64 VanDerWaalsContact O-CB 3.29Å; K60-A64 WeakPolarHBondContact O-CB 2.86Å; K60-A64 PolarHBondContact O-N 3.14Å; A64-G68 WeakPolarHBondContact O-CA 3.45Å; A64-G68 PolarHBondContact O-N 2.99Å; A64-G68 VanDerWaalsContact O-N 3.14Å
65	K	85.6	Confident	74.7	Confident	155 Å²	155	82.6 Å²	82.6	67%	0.674	46%	0.461	S	S	*	.	H	α-helix	trans	-73.7	-36.8	177.5	-76.7	173.8	-178.6	-169.8	0	113.7	S61 C62 Y63	S61-K65 WeakPolarHBondContact O-CB 3.45Å; S61-K65 WeakPolarHBondContact O-CG 3.2Å; S61-K65 PolarHBondContact O-N 2.81Å; C62-K65 PolarHBondContact O-N 2.99Å; Y63-K65 VanDerWaalsContact C-N 3.31Å; Y63-K65 PolarHBondContact O-N 3.03Å
66	N	84.2	Confident	73.1	Confident	66 Å²	66	86.1 Å²	86.1	35%	0.353	48%	0.476	S	S	.	.	H	α-helix	trans	-97.9	-31.7	-173	-69.2	37.7	0	0	0	112.8	C62 Y63	C62-N66 WeakPolarHBondContact O-CB 3.17Å; C62-N66 PolarHBondContact O-N 3.09Å; C62-N66 PolarHBondContact O-OD1 2.99Å; Y63-N66 PolarHBondContact O-N 2.9Å
67	Y	86.1	Confident	71.2	Confident	83 Å²	83	91.4 Å²	91.4	33%	0.325	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-3.4	-172.9	-49.6	-61.1	0	0	0	113.1	H53 Y58 Y63	H53-Y67 HydrophobicContact CB-CD2 3.87Å; H53-Y67 HydrophobicContact CB-CE2 3.61Å; H53-Y67 AromaticContact CD2-CD1 3.78Å; H53-Y67 AromaticContact CD2-CD2 3.82Å; H53-Y67 AromaticContact CD2-CG 3.66Å; H53-Y67 AromaticContact CE1-CD1 3.41Å; H53-Y67 VanDerWaalsContact CE1-CD1 3.41Å; H53-Y67 WeakPolarHBondContact CE1-CD1 3.4Å; H53-Y67 AromaticContact CE1-CE1 3.04Å; H53-Y67 WeakPolarHBondContact CE1-CE1 3.4Å; H53-Y67 AromaticContact CE1-CZ 3.37Å; H53-Y67 AromaticContact CG-CD2 3.61Å; H53-Y67 AromaticContact CG-CE1 3.88Å; H53-Y67 AromaticContact CG-CE2 3.42Å; H53-Y67 VanDerWaalsContact CG-CE2 3.42Å; H53-Y67 AromaticContact CG-CG 3.9Å; H53-Y67 AromaticContact CG-CZ 3.54Å; H53-Y67 AromaticContact ND1-CD1 3.83Å; H53-Y67 AromaticContact ND1-CD2 3.99Å; H53-Y67 AromaticContact ND1-CE1 3.28Å; H53-Y67 VanDerWaalsContact ND1-CE1 3.28Å; H53-Y67 WeakPolarHBondContact ND1-CE1 3.29Å; H53-Y67 AromaticContact ND1-CE2 3.44Å; H53-Y67 WeakPolarHBondContact ND1-CE2 3.4Å; H53-Y67 AromaticContact ND1-CZ 3.02Å; H53-Y67 PolarHBondContact ND1-OH 2.83Å; H53-Y67 AromaticContact NE2-CD1 3.4Å; H53-Y67 WeakPolarHBondContact NE2-CD1 3.16Å; H53-Y67 AromaticContact NE2-CE1 3.58Å; H53-Y67 AromaticContact NE2-CG 3.79Å; Y58-Y67 HydrophobicContact CD1-CE2 4.33Å; Y58-Y67 AromaticContact CD2-CE2 3.92Å; Y58-Y67 HydrophobicContact CD2-CE2 3.92Å; Y58-Y67 HydrophobicContact CE1-CE2 4.07Å; Y58-Y67 AromaticContact CE2-CE2 3.62Å; Y58-Y67 HydrophobicContact CE2-CE2 3.62Å; Y58-Y67 HydrophobicContact CG-CE2 4.26Å; Y58-Y67 AromaticContact CZ-CE2 3.71Å; Y58-Y67 PolarHBondContact OH-OH 3.33Å; Y58-Y67 VanDerWaalsContact OH-OH 3.07Å; Y63-Y67 AromaticContact CD2-CD2 3.9Å; Y63-Y67 HydrophobicContact CD2-CD2 3.9Å; Y63-Y67 HydrophobicContact CE2-CD2 4.13Å; Y63-Y67 HydrophobicContact CG-CD2 4.41Å; Y63-Y67 CarbonylContact O-C 3.52Å; Y63-Y67 WeakPolarHBondContact O-CA 3.41Å; Y63-Y67 WeakPolarHBondContact O-CB 3.34Å; Y63-Y67 PolarHBondContact O-N 3.04Å
68	G	76.7	Confident	69.1	Low	13 Å²	13	95.2 Å²	95.2	13%	0.134	54%	0.541	C	S	.	.	S	Bend	trans	-65.7	159.5	167.8	0	0	0	0	0	109.8	Y63 A64 N70	Y63-G68 PolarHBondContact O-N 3.04Å; A64-G68 WeakPolarHBondContact O-CA 3.45Å; A64-G68 PolarHBondContact O-N 2.99Å; A64-G68 VanDerWaalsContact O-N 3.14Å; G68-N70 PolarHBondContact O-N 3.18Å
69	P	71.8	Confident	67.3	Low	131 Å²	131	99.9 Å²	99.9	85%	0.851	57%	0.572	S	S	*	*			trans	-56.9	110.4	169.2	24.9	-31.8	0	0	0	107.4	S71	P69-S71 VanDerWaalsContact C-N 3.3Å; P69-S71 PolarHBondContact O-N 3.15Å
70	N	57.7	Low	65.2	Low	129 Å²	129	106.5 Å²	106.5	69%	0.69	61%	0.605	S	S	*	*			trans	-63	96.9	173.9	-77.5	-23.1	0	0	0	106.6	G68 Y72	G68-N70 PolarHBondContact O-N 3.18Å; N70-Y72 PolarHBondContact O-N 3.09Å
71	S	51.9	Low	63.2	Low	113 Å²	113	107.9 Å²	107.9	79%	0.79	62%	0.616	S	S	*	*			trans	-68.3	89.1	160.2	57.1	0	0	0	0	105.6	P69 G73	P69-S71 VanDerWaalsContact C-N 3.3Å; P69-S71 PolarHBondContact O-N 3.15Å; S71-G73 PolarHBondContact O-N 2.81Å
72	Y	50.6	Low	61	Low	199 Å²	199	115.2 Å²	115.2	78%	0.78	63%	0.632	S	S	*	*			trans	-48.8	115.5	163	-175.3	-92.8	0	0	0	106.3	N70 F74	N70-Y72 PolarHBondContact O-N 3.09Å; Y72-F74 HydrophobicContact CD1-CD2 4.24Å; Y72-F74 HydrophobicContact CE1-CD2 4.25Å; Y72-F74 HydrophobicContact CE1-CE2 4.25Å; Y72-F74 PolarHBondContact O-N 2.96Å
73	G	45	Very low	59.1	Low	65 Å²	65	118.9 Å²	118.9	67%	0.67	66%	0.658	S	S	*	*			trans	-57.1	112.3	-176.2	0	0	0	0	0	109.4	S71	S71-G73 PolarHBondContact O-N 2.81Å
74	F	42.2	Very low	57.4	Low	185 Å²	185	122.1 Å²	122.1	81%	0.811	68%	0.679	S	S	*	*			trans	-100.7	100.8	153.4	-117.6	-89.5	0	0	0	108.3	Y72	Y72-F74 HydrophobicContact CD1-CD2 4.24Å; Y72-F74 HydrophobicContact CE1-CD2 4.25Å; Y72-F74 HydrophobicContact CE1-CE2 4.25Å; Y72-F74 PolarHBondContact O-N 2.96Å
75	S	46.6	Very low	55.8	Low	95 Å²	95	130.5 Å²	130.5	66%	0.664	70%	0.701	S	S	*	*			trans	-62.1	160.1	163	-159.1	0	0	0	0	109.8
76	T	45	Very low	54	Low	106 Å²	106	129.9 Å²	129.9	65%	0.65	70%	0.704	S	S	*	*	S	Bend	trans	77.6	99.7	176.1	79.4	0	0	0	0	115
77	N	43	Very low	52.2	Low	156 Å²	156	133 Å²	133	83%	0.834	72%	0.72	S	S	*	*			trans	76.7	88.3	157	-47.7	-46.3	0	0	0	115.8	T79	N77-T79 PolarHBondContact O-N 3.21Å; N77-T79 VanDerWaalsContact O-N 3.17Å
78	G	46.1	Very low	50.5	Low	83 Å²	83	140.7 Å²	140.7	86%	0.856	75%	0.749	S	S	*	*			trans	-54.3	116.9	178.6	0	0	0	0	0	113.2
79	T	49.5	Very low	48.9	Very low	121 Å²	121	144.4 Å²	144.4	74%	0.742	77%	0.766	S	S	*	*			trans	-168.9	110.4	153	-74.3	0	0	0	0	107	N77	N77-T79 PolarHBondContact O-N 3.21Å; N77-T79 VanDerWaalsContact O-N 3.17Å
80	L	46.2	Very low	47.9	Very low	153 Å²	153	144 Å²	144	80%	0.801	77%	0.765	S	S	*	*			trans	69.7	107.4	158.6	-51.7	171.9	0	0	0	119.4
81	M	45.9	Very low	47.7	Very low	188 Å²	188	143.6 Å²	143.6	93%	0.926	77%	0.767	S	S	*	*				-144.8	104.1	119.8	-91.8	-131.5	-179.6	0	0	110.5
82	R	41.9	Very low	47.6	Very low	232 Å²	232	145.6 Å²	145.6	88%	0.875	76%	0.761	S	S	*	*			trans	-82.8	114.9	164.3	-176.1	121	80.6	147.3	4.3	106.2
83	S	48.9	Very low	47.5	Very low	88 Å²	88	144 Å²	144	62%	0.615	76%	0.763	S	S	*	*			trans	-140.6	94.2	178.1	-167.7	0	0	0	0	110.7	Y85	S83-Y85 PolarHBondContact O-N 3.49Å
84	I	54.7	Low	47.7	Very low	147 Å²	147	148.6 Å²	148.6	75%	0.754	77%	0.772	S	S	*	*	S	Bend	trans	56.1	30.2	132.5	45.1	166.7	0	0	0	122
85	Y	52.6	Low	47.4	Very low	233 Å²	233	141.9 Å²	141.9	91%	0.914	76%	0.755	S	S	*	*			trans	-124.8	104	145.3	-84.6	-82.8	0	0	0	110.3	S83	S83-Y85 PolarHBondContact O-N 3.49Å
86	D	48.1	Very low	46.8	Very low	141 Å²	141	148.3 Å²	148.3	75%	0.754	77%	0.767	S	S	*	*			trans	-50	145.2	-176.3	-73.2	-65	0	0	0	115.8	R88	D86-R88 PolarHBondContact O-N 3.17Å
87	L	46.7	Very low	46.8	Very low	132 Å²	132	148.1 Å²	148.1	69%	0.691	77%	0.77	S	S	*	*			trans	18.5	99.8	144.4	-78.8	67.9	0	0	0	116.8
88	R	49.2	Very low	46.9	Very low	244 Å²	244	146.4 Å²	146.4	92%	0.921	76%	0.757	S	S	*	*			trans	-136.8	81.2	149.4	-86.2	-179	-173	151.6	4.3	111	D86	D86-R88 PolarHBondContact O-N 3.17Å
89	D	44.1	Very low	46.5	Very low	92 Å²	92	152 Å²	152	49%	0.492	76%	0.757	S	S	.	*			trans	45.5	91.5	135.7	-59.5	-20.4	0	0	0	118.3	T91	D89-T91 PolarHBondContact O-N 3.32Å
90	C	49.8	Very low	46.3	Very low	123 Å²	123	154.9 Å²	154.9	83%	0.831	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-3	159.7	52.3	0	0	0	0	113.4
91	T	54.8	Low	46.2	Very low	120 Å²	120	152.3 Å²	152.3	74%	0.736	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-1.6	-178.2	12.4	0	0	0	0	114.6	D89	D89-T91 PolarHBondContact O-N 3.32Å
92	K	49.7	Very low	46.2	Very low	154 Å²	154	148.2 Å²	148.2	67%	0.67	75%	0.745	S	S	*	*	S	Bend	trans	-143	93.9	175.5	-60.1	173.7	-174.1	167.9	0	105.4
93	M	47.5	Very low	46.5	Very low	166 Å²	166	145.1 Å²	145.1	82%	0.818	74%	0.744	S	S	*	*	S	Bend		-159.2	128.7	64.5	-43.3	-162	-158.2	0	0	109.8
94	N	48.7	Very low	46.5	Very low	161 Å²	161	145.6 Å²	145.6	86%	0.861	74%	0.738	S	S	*	*	S	Bend	trans	58	89.8	151.9	-62.5	-17.4	0	0	0	118.4
95	G	35.8	Very low	45.8	Very low	44 Å²	44	143.9 Å²	143.9	45%	0.454	74%	0.74	S	S	.	*	S	Bend	trans	116.8	109.2	141.7	0	0	0	0	0	113.8
96	Y	35.7	Very low	45.5	Very low	230 Å²	230	140.3 Å²	140.3	90%	0.902	73%	0.731	S	S	*	*			trans	61.3	78.8	151.1	26	-92.2	0	0	0	118
97	S	44.5	Very low	45.2	Very low	103 Å²	103	138.7 Å²	138.7	72%	0.72	73%	0.731	S	S	*	*			trans	-162.4	116.4	148	58.5	0	0	0	0	114.1
98	H	45.1	Very low	45	Very low	120 Å²	120	140.8 Å²	140.8	56%	0.556	74%	0.737	S	S	*	*			trans	-4.8	123.7	162.5	-59.7	-90.9	0	0	0	120	H100 N154	H98-H100 PolarHBondContact O-N 3.36Å; H98-N154 PolarHBondContact CE1-OD1 3.29Å
99	F	37.6	Very low	44.6	Very low	199 Å²	199	135.9 Å²	135.9	87%	0.873	73%	0.729	S	S	*	*			trans	-11.4	102.3	154	-59.3	-93.3	0	0	0	115.7
100	H	44.5	Very low	44.2	Very low	182 Å²	182	142.5 Å²	142.5	84%	0.843	75%	0.749	S	S	*	*			trans	-122	101.4	155.6	-130.1	-104.6	0	0	0	107.1	H98	H98-H100 PolarHBondContact O-N 3.36Å
101	S	43.4	Very low	43.7	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	75%	0.747	S	S	*	*			trans	-62.7	127.4	171.6	-60.4	0	0	0	0	108.8	I103	S101-I103 PolarHBondContact O-N 2.97Å
102	P	47.4	Very low	43.1	Very low	102 Å²	102	143.6 Å²	143.6	66%	0.662	74%	0.744	S	S	*	*			trans	-75.8	114.8	176.8	29.6	-29.3	0	0	0	108.3	I104	P102-I104 HydrophobicContact CB-CG1 4.32Å; P102-I104 PolarHBondContact O-N 2.91Å
103	I	48.4	Very low	42.6	Very low	166 Å²	166	144.7 Å²	144.7	85%	0.851	75%	0.751	S	S	*	*			trans	-72.7	89.2	165.1	-60.4	177.4	0	0	0	106.3	S101 S105	S101-I103 PolarHBondContact O-N 2.97Å; I103-S105 PolarHBondContact O-N 3.15Å
104	I	48.3	Very low	42.8	Very low	98 Å²	98	143.2 Å²	143.2	50%	0.503	75%	0.747	S	S	.	*			trans	-71.3	111.6	167.9	-68.8	175.5	0	0	0	106.7	P102 Q106	P102-I104 HydrophobicContact CB-CG1 4.32Å; P102-I104 PolarHBondContact O-N 2.91Å; I104-Q106 HydrophobicContact CG2-CB 3.85Å; I104-Q106 HydrophobicContact CG2-CG 3.46Å; I104-Q106 VanDerWaalsContact CG2-CG 3.46Å; I104-Q106 PolarHBondContact O-N 2.83Å
105	S	38.9	Very low	42.6	Very low	112 Å²	112	146.1 Å²	146.1	78%	0.783	75%	0.746	S	S	*	*			trans	-70.1	80.6	161.4	50.8	0	0	0	0	108.4	I103	I103-S105 PolarHBondContact O-N 3.15Å
106	Q	46.7	Very low	42.9	Very low	158 Å²	158	151.1 Å²	151.1	74%	0.738	76%	0.761	S	S	*	*			trans	-109.9	95	161.4	-82.4	176.4	38.4	0	0	107.1	I104 Q108	I104-Q106 HydrophobicContact CG2-CB 3.85Å; I104-Q106 HydrophobicContact CG2-CG 3.46Å; I104-Q106 VanDerWaalsContact CG2-CG 3.46Å; I104-Q106 PolarHBondContact O-N 2.83Å; Q106-Q108 PolarHBondContact O-N 2.93Å; Q106-Q108 VanDerWaalsContact O-N 3.15Å
107	S	42.2	Very low	43.1	Very low	106 Å²	106	145.7 Å²	145.7	74%	0.741	75%	0.748	S	S	*	*			trans	-47.2	110.7	152.2	48.8	0	0	0	0	108.9
108	Q	43.4	Very low	43	Very low	177 Å²	177	147.9 Å²	147.9	83%	0.827	75%	0.751	S	S	*	*			trans	-170.3	105.3	150.2	-103	161.4	48.1	0	0	108.8	Q106	Q106-Q108 PolarHBondContact O-N 2.93Å; Q106-Q108 VanDerWaalsContact O-N 3.15Å
109	N	39	Very low	43.1	Very low	140 Å²	140	148.7 Å²	148.7	75%	0.749	76%	0.759	S	S	*	*			trans	20.8	113.3	147	-66	-54.6	0	0	0	117.5
110	Y	37.6	Very low	43.1	Very low	231 Å²	231	147.4 Å²	147.4	91%	0.906	76%	0.756	S	S	*	*			trans	-148	103.7	138.6	-124.7	-91.4	0	0	0	109.5
111	Q	38.6	Very low	42.9	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	75%	0.752	S	S	*	*			trans	-78.7	131.3	171.2	-68.1	164.3	-20.9	0	0	108.9
112	S	41.6	Very low	42.3	Very low	95 Å²	95	148 Å²	148	66%	0.664	76%	0.758	S	S	*	*			trans	156.5	103.6	145.2	53.1	0	0	0	0	107.8
113	Q	40.4	Very low	42	Very low	176 Å²	176	146.6 Å²	146.6	82%	0.822	76%	0.762	S	S	*	*				65.5	138.2	92.7	-76.7	176.2	-14.2	0	0	113
114	D	50.5	Low	41.8	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	76%	0.759	S	S	*	*			trans	87.1	115.5	176.8	-50.6	-29.4	0	0	0	114.2
115	R	45	Very low	41.2	Very low	222 Å²	222	151.4 Å²	151.4	84%	0.838	78%	0.775	S	S	*	*			cis	-163.7	141.6	14.8	-111.7	179.1	-124.9	-118.6	4.8	109.2
116	L	41.3	Very low	41.7	Very low	149 Å²	149	151 Å²	151	78%	0.78	76%	0.763	S	S	*	*			trans	-50.9	154.1	161.9	-96.7	91.3	0	0	0	112.6
117	N	40.6	Very low	41.6	Very low	117 Å²	117	147.4 Å²	147.4	63%	0.626	75%	0.753	S	S	*	*			trans	96.7	104.7	154.2	-55.2	-30.1	0	0	0	117.3
118	N	41.5	Very low	41.9	Very low	148 Å²	148	154.3 Å²	154.3	79%	0.791	76%	0.763	S	S	*	*				167.4	78.8	122.4	-77.5	-31.4	0	0	0	106.4
119	L	47.8	Very low	41.9	Very low	138 Å²	138	151.5 Å²	151.5	72%	0.723	76%	0.759	S	S	*	*				46	119	101.9	-79.8	114.4	0	0	0	113.4
120	E	37.8	Very low	42.2	Very low	172 Å²	172	152 Å²	152	80%	0.804	76%	0.761	S	S	*	*			trans	76.1	46.6	161.8	-54	-177.1	149.6	0	0	117.9
121	N	39.7	Very low	42.5	Very low	140 Å²	140	153.1 Å²	153.1	75%	0.749	76%	0.764	S	S	*	*			trans	-138.6	94.1	162.5	-84.3	-62.7	0	0	0	112.8
122	N	32.1	Very low	42.8	Very low	155 Å²	155	150 Å²	150	83%	0.829	76%	0.756	S	S	*	*				43.1	94.9	123.4	-70.5	-49.5	0	0	0	116.8
123	G	40	Very low	42.8	Very low	72 Å²	72	157 Å²	157	74%	0.742	77%	0.768	S	S	*	*			trans	176	56.5	168.5	0	0	0	0	0	112.5	Y125	G123-Y125 PolarHBondContact O-N 2.88Å
124	N	44.3	Very low	42.4	Very low	150 Å²	150	157.4 Å²	157.4	80%	0.802	76%	0.763	S	S	*	*			trans	-51.9	99.9	-179.3	-76.3	-38.9	0	0	0	112.4	I126	N124-I126 HydrophobicContact CB-CD1 4.3Å; N124-I126 HydrophobicContact CB-CG1 3.96Å; N124-I126 PolarHBondContact O-N 3.24Å
125	Y	36.7	Very low	42.1	Very low	215 Å²	215	155.7 Å²	155.7	84%	0.843	76%	0.759	S	S	*	*			trans	-75.2	105.1	158.1	178.9	-100.5	0	0	0	107.8	G123	G123-Y125 PolarHBondContact O-N 2.88Å
126	I	49.6	Very low	41.9	Very low	103 Å²	103	151.5 Å²	151.5	53%	0.528	76%	0.763	S	S	.	*			trans	-107.5	115.7	179	-37.1	173.5	0	0	0	108.2	N124 W134	N124-I126 HydrophobicContact CB-CD1 4.3Å; N124-I126 HydrophobicContact CB-CG1 3.96Å; N124-I126 PolarHBondContact O-N 3.24Å; I126-W134 HydrophobicContact CD1-CH2 3.52Å; I126-W134 HydrophobicContact CD1-CZ2 3.68Å
127	P	44.5	Very low	42.1	Very low	82 Å²	82	145.9 Å²	145.9	53%	0.532	74%	0.742	S	S	.	*			trans	-65.8	143.6	-178.1	24.5	-31.6	0	0	0	112	T129	P127-T129 VanDerWaalsContact C-N 3.3Å; P127-T129 PolarHBondContact O-N 3.34Å
128	R	47.8	Very low	42.7	Very low	251 Å²	251	148.2 Å²	148.2	95%	0.947	75%	0.754	S	S	*	*	S	Bend	trans	-73.2	74.2	-178.3	-66.6	-170.9	-162.8	-114.4	3.7	112.1
129	T	43.9	Very low	43	Very low	119 Å²	119	148 Å²	148	73%	0.73	74%	0.743	S	S	*	*	S	Bend	trans	-140.8	126.8	166.4	56.7	0	0	0	0	109	P127	P127-T129 VanDerWaalsContact C-N 3.3Å; P127-T129 PolarHBondContact O-N 3.34Å
130	N	44.3	Very low	43.5	Very low	151 Å²	151	144.5 Å²	144.5	81%	0.807	74%	0.741	S	S	*	*			trans	61.7	99.1	-170.6	-81.5	-12.3	0	0	0	115.8	T132	N130-T132 PolarHBondContact O-N 2.98Å
131	R	43.7	Very low	44.9	Very low	253 Å²	253	141 Å²	141	96%	0.955	73%	0.727	S	S	*	*			trans	-64.1	78	159.2	-92.2	-165.9	-79	-164.2	-5.3	108.8	R133	R131-R133 PolarHBondContact O-N 3.22Å
132	T	46.2	Very low	46.8	Very low	106 Å²	106	137.2 Å²	137.2	65%	0.65	71%	0.707	S	S	*	*			trans	-62.1	123.2	152.1	37.7	0	0	0	0	106.6	N130 W134	N130-T132 PolarHBondContact O-N 2.98Å; T132-W134 VanDerWaalsContact O-CD1 3.23Å; T132-W134 PolarHBondContact O-N 3Å
133	R	40.9	Very low	49.4	Very low	243 Å²	243	138.3 Å²	138.3	92%	0.917	70%	0.699	S	S	*	*			trans	-46.4	105.9	177.8	-168.3	178.1	-153.1	169.1	3.9	109	R131	R131-R133 PolarHBondContact O-N 3.22Å
134	W	31.6	Very low	51.7	Low	185 Å²	185	135.3 Å²	135.3	70%	0.701	67%	0.667	S	S	*	*			trans	-62.2	135.4	177.3	-76.8	66.2	0	0	0	108.8	I126 T132	I126-W134 HydrophobicContact CD1-CH2 3.52Å; I126-W134 HydrophobicContact CD1-CZ2 3.68Å; T132-W134 VanDerWaalsContact O-CD1 3.23Å; T132-W134 PolarHBondContact O-N 3Å
135	P	44.6	Very low	53.7	Low	99 Å²	99	130.7 Å²	130.7	64%	0.643	65%	0.649	S	S	*	*			trans	-69.5	151.5	-167	-11.5	27.8	0	0	0	110.9	G137	P135-G137 PolarHBondContact O-N 3.34Å
136	S	42	Very low	56	Low	133 Å²	133	123.8 Å²	123.8	93%	0.93	63%	0.627	S	S	*	*			trans	-61.1	50.6	177.8	-55.2	0	0	0	0	115.1
137	G	44.3	Very low	57.8	Low	32 Å²	32	120.4 Å²	120.4	33%	0.33	61%	0.612	S	S	.	*			trans	-79.9	119.7	178.2	0	0	0	0	0	111.5	P135 Y139	P135-G137 PolarHBondContact O-N 3.34Å; G137-Y139 VanDerWaalsContact C-N 3.27Å; G137-Y139 VanDerWaalsContact CA-CE1 3.47Å; G137-Y139 WeakPolarHBondContact O-CD2 3.11Å; G137-Y139 WeakPolarHBondContact O-CE2 3.31Å; G137-Y139 PolarHBondContact O-N 3.46Å
138	N	53.1	Low	59.8	Low	165 Å²	165	121.6 Å²	121.6	88%	0.882	62%	0.62	S	S	*	*			trans	-70.5	72.7	-179.6	-169	-8.9	0	0	0	111.4
139	Y	48	Very low	61.6	Low	145 Å²	145	114.5 Å²	114.5	57%	0.569	60%	0.601	S	S	*	*	S	Bend	trans	-119.5	81.6	171.6	21.2	-97.1	0	0	0	109.9	G137 L141	G137-Y139 VanDerWaalsContact C-N 3.27Å; G137-Y139 VanDerWaalsContact CA-CE1 3.47Å; G137-Y139 WeakPolarHBondContact O-CD2 3.11Å; G137-Y139 WeakPolarHBondContact O-CE2 3.31Å; G137-Y139 PolarHBondContact O-N 3.46Å; Y139-L141 HydrophobicContact CD2-CD1 3.94Å; Y139-L141 HydrophobicContact CE2-CD1 4.34Å; Y139-L141 WeakPolarHBondContact O-CD1 3.22Å; Y139-L141 PolarHBondContact O-N 2.86Å
140	G	59.4	Low	63.6	Low	64 Å²	64	111.2 Å²	111.2	66%	0.66	58%	0.578	S	S	*	*			trans	56.3	14.4	153.2	0	0	0	0	0	119.3	N142	G140-N142 PolarHBondContact O-N 3.44Å; G140-N142 PolarHBondContact O-ND2 3.27Å
141	L	66.8	Low	65.6	Low	99 Å²	99	104.7 Å²	104.7	52%	0.518	54%	0.544	S	S	.	.			trans	-74.8	89.9	178.4	-85.3	122.4	0	0	0	110.3	Y139 R143 I150	Y139-L141 HydrophobicContact CD2-CD1 3.94Å; Y139-L141 HydrophobicContact CE2-CD1 4.34Å; Y139-L141 WeakPolarHBondContact O-CD1 3.22Å; Y139-L141 PolarHBondContact O-N 2.86Å; L141-R143 PolarHBondContact O-N 3.08Å; L141-I150 HydrophobicContact CD2-CB 3.97Å; L141-I150 HydrophobicContact CD2-CD1 3.5Å; L141-I150 HydrophobicContact CD2-CG1 4.34Å; L141-I150 HydrophobicContact CD2-CG2 3.73Å
142	N	79	Confident	67.5	Low	60 Å²	60	99.8 Å²	99.8	32%	0.321	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-66.9	118.2	173.8	-66.6	-61.7	0	0	0	109.8	G140 V151 V163	G140-N142 PolarHBondContact O-N 3.44Å; G140-N142 PolarHBondContact O-ND2 3.27Å; N142-V151 PolarHBondContact O-N 3.32Å; N142-V163 HydrophobicContact CB-CB 3.96Å; N142-V163 HydrophobicContact CB-CG1 3.96Å; N142-V163 HydrophobicContact CB-CG2 3.75Å
143	R	86.7	Confident	69.3	Low	177 Å²	177	99.2 Å²	99.2	67%	0.668	53%	0.532	S	S	*	.	B	Isolated β-bridge	trans	-82.5	149.2	172.9	-64.8	-179.5	-170.4	-96.4	0.1	110	L141	L141-R143 PolarHBondContact O-N 3.08Å
144	C	89	Confident	71.4	Confident	10 Å²	10	93.1 Å²	93.1	7%	0.068	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-68.6	140.1	172.8	-175.4	0	0	0	0	110	N146 C147 D149 V151 V163 H165 C168	C144-N146 VanDerWaalsContact C-N 3.25Å; C144-N146 PolarHBondContact O-N 3.3Å; C144-N146 PolarHBondContact SG-N 3.17Å; C144-C147 WeakPolarHBondContact CB-SG 3.39Å; C144-D149 PolarHBondContact N-O 2.87Å; C144-V151 HydrophobicContact CB-CG2 3.63Å; C144-V163 CarbonylContact C-O 3.54Å; C144-V163 VanDerWaalsContact CA-O 3.28Å; C144-V163 WeakPolarHBondContact CA-O 3.22Å; C144-H165 VanDerWaalsContact CB-CE1 3.42Å; C144-H165 WeakPolarHBondContact CB-CE1 3.47Å; C144-H165 WeakPolarHBondContact CB-ND1 3.11Å; C144-C168 VanDerWaalsContact SG-CB 3.56Å
145	A	86.3	Confident	73.9	Confident	52 Å²	52	87.3 Å²	87.3	43%	0.43	50%	0.498	S	S	.	.	S	Bend	trans	-73.3	-17	173.2	0	0	0	0	0	113.7	K162 V163 F164	A145-K162 HydrophobicContact CB-CB 4Å; A145-K162 HydrophobicContact CB-CD 3.88Å; A145-K162 HydrophobicContact CB-CG 4.22Å; A145-V163 PolarHBondContact N-O 3.46Å; A145-F164 HydrophobicContact CB-CD1 4.19Å; A145-F164 HydrophobicContact CB-CE1 3.61Å; A145-F164 HydrophobicContact CB-CZ 3.94Å
146	N	85.4	Confident	75.9	Confident	70 Å²	70	87.7 Å²	87.7	37%	0.374	49%	0.487	S	S	.	.	S	Bend	trans	-106.7	-10.7	-176	-80.6	-0.1	0	0	0	114.1	C144 F164 C168	C144-N146 VanDerWaalsContact C-N 3.25Å; C144-N146 PolarHBondContact O-N 3.3Å; C144-N146 PolarHBondContact SG-N 3.17Å; N146-F164 HydrophobicContact CB-CD1 4.33Å; N146-C168 HydrophobicContact CB-CB 4Å; N146-C168 PolarHBondContact ND2-O 2.79Å
147	C	87.1	Confident	78.1	Confident	32 Å²	32	82.1 Å²	82.1	22%	0.216	45%	0.447	C	S	.	.	S	Bend	trans	-148.4	161.5	178.6	78.8	0	0	0	0	109.8	C144 D149 H165	C144-C147 WeakPolarHBondContact CB-SG 3.39Å; C147-D149 PolarHBondContact O-N 3.49Å; C147-H165 PolarHBondContact SG-CE1 3.01Å; C147-H165 PolarHBondContact SG-ND1 3.48Å
148	P	85.6	Confident	80.2	Confident	108 Å²	108	84 Å²	84	70%	0.701	45%	0.45	S	S	*	.	S	Bend	trans	-74.6	-8.8	-174.7	30.9	-35.4	0	0	0	113.7
149	D	85.6	Confident	81.7	Confident	102 Å²	102	77.1 Å²	77.1	55%	0.545	42%	0.415	S	S	.	.	S	Bend	trans	-82.4	157	-171.6	-63.5	-46.1	0	0	0	113	C144 C147	C144-D149 PolarHBondContact N-O 2.87Å; C147-D149 PolarHBondContact O-N 3.49Å
150	I	86.3	Confident	83.4	Confident	50 Å²	50	72.2 Å²	72.2	26%	0.256	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-76.6	145.4	176.5	58.6	172	0	0	0	110.3	L141 Y152 H165	L141-I150 HydrophobicContact CD2-CB 3.97Å; L141-I150 HydrophobicContact CD2-CD1 3.5Å; L141-I150 HydrophobicContact CD2-CG1 4.34Å; L141-I150 HydrophobicContact CD2-CG2 3.73Å; I150-Y152 HydrophobicContact CD1-CE1 3.92Å; I150-Y152 HydrophobicContact CD1-CE2 4.12Å; I150-Y152 WeakPolarHBondContact CD1-OH 3.38Å; I150-Y152 HydrophobicContact CG1-CE2 4.09Å; I150-H165 PolarHBondContact O-NE2 2.94Å
151	V	85.8	Confident	84.5	Confident	14 Å²	14	73.4 Å²	73.4	9%	0.085	41%	0.412	C	S	.	.			trans	-100.2	115.5	179.4	-174.5	0	0	0	0	108.9	N142 C144 E155 R156 V163	N142-V151 PolarHBondContact O-N 3.32Å; C144-V151 HydrophobicContact CB-CG2 3.63Å; V151-E155 HydrophobicContact CG1-CG 4.21Å; V151-R156 VanDerWaalsContact CG1-CA 3.43Å; V151-R156 HydrophobicContact CG1-CB 3.81Å; V151-R156 HydrophobicContact CG1-CG 4.12Å; V151-V163 HydrophobicContact CB-CG1 3.91Å; V151-V163 HydrophobicContact CG1-CG1 3.87Å; V151-V163 HydrophobicContact CG2-CG1 4Å
152	Y	84.5	Confident	85.5	Confident	149 Å²	149	72.6 Å²	72.6	58%	0.584	41%	0.405	S	S	*	.			trans	-79.1	155.7	174.7	-65.3	-78.4	0	0	0	111.5	I150 N154 E155 R156	I150-Y152 HydrophobicContact CD1-CE1 3.92Å; I150-Y152 HydrophobicContact CD1-CE2 4.12Å; I150-Y152 WeakPolarHBondContact CD1-OH 3.38Å; I150-Y152 HydrophobicContact CG1-CE2 4.09Å; Y152-N154 PolarHBondContact O-N 2.98Å; Y152-N154 VanDerWaalsContact O-N 3.08Å; Y152-E155 WeakPolarHBondContact CD2-OE1 3.26Å; Y152-E155 PolarHBondContact N-OE1 3.15Å; Y152-E155 WeakPolarHBondContact O-CG 3.23Å; Y152-E155 PolarHBondContact O-N 2.75Å; Y152-R156 PolarHBondContact O-N 3.17Å; Y152-R156 VanDerWaalsContact O-N 3.11Å
153	A	83.8	Confident	86	Confident	94 Å²	94	70.5 Å²	70.5	78%	0.777	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-54.3	-34.1	-175	0	0	0	0	0	114.2	E155	A153-E155 VanDerWaalsContact C-N 3.33Å; A153-E155 PolarHBondContact O-N 2.9Å
154	N	84.1	Confident	86.2	Confident	116 Å²	116	62.4 Å²	62.4	62%	0.62	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-73	-22	-178.4	-171.3	44.1	0	0	0	114	H98 Y152	H98-N154 PolarHBondContact CE1-OD1 3.29Å; Y152-N154 PolarHBondContact O-N 2.98Å; Y152-N154 VanDerWaalsContact O-N 3.08Å
155	E	84.6	Confident	86.2	Confident	62 Å²	62	62.7 Å²	62.7	29%	0.29	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-115.8	6.1	-177.7	59.6	178.8	171.4	0	0	113.1	V151 Y152 A153 I157 H165 R166	V151-E155 HydrophobicContact CG1-CG 4.21Å; Y152-E155 WeakPolarHBondContact CD2-OE1 3.26Å; Y152-E155 PolarHBondContact N-OE1 3.15Å; Y152-E155 WeakPolarHBondContact O-CG 3.23Å; Y152-E155 PolarHBondContact O-N 2.75Å; A153-E155 VanDerWaalsContact C-N 3.33Å; A153-E155 PolarHBondContact O-N 2.9Å; E155-I157 PolarHBondContact O-N 2.93Å; E155-H165 CarbonylContact O-C 3.52Å; E155-H165 WeakPolarHBondContact O-CA 3.39Å; E155-H165 IonicContact OE1-CD2 3.44Å; E155-H165 PolarHBondContact OE1-CD2 3.18Å; E155-H165 IonicContact OE1-NE2 3.8Å; E155-H165 IonicContact OE2-CD2 3.94Å; E155-H165 PolarHBondContact OE2-CD2 2.88Å; E155-R166 HydrophobicContact CB-CG 4.16Å; E155-R166 WeakPolarHBondContact O-CG 3.43Å; E155-R166 PolarHBondContact O-N 3.45Å
156	R	86.8	Confident	86.3	Confident	108 Å²	108	67.3 Å²	67.3	41%	0.408	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	123	-176.8	-174	-179.7	169.9	-178.3	-5.7	111.6	V151 Y152 D158 V163	V151-R156 VanDerWaalsContact CG1-CA 3.43Å; V151-R156 HydrophobicContact CG1-CB 3.81Å; V151-R156 HydrophobicContact CG1-CG 4.12Å; Y152-R156 PolarHBondContact O-N 3.17Å; Y152-R156 VanDerWaalsContact O-N 3.11Å; R156-D158 IonicContact CZ-OD1 2.79Å; R156-D158 IonicContact CZ-OD2 3.42Å; R156-D158 VanDerWaalsContact NE-CG 3.31Å; R156-D158 IonicContact NE-OD1 3.22Å; R156-D158 PolarHBondContact NE-OD1 3.16Å; R156-D158 IonicContact NE-OD2 3.32Å; R156-D158 PolarHBondContact NE-OD2 2.95Å; R156-D158 VanDerWaalsContact NH2-CG 3.35Å; R156-D158 IonicContact NH2-OD1 3.07Å; R156-D158 PolarHBondContact NH2-OD1 3.05Å; R156-D158 IonicContact NH2-OD2 3.28Å; R156-D158 PolarHBondContact NH2-OD2 2.84Å; R156-V163 HydrophobicContact CG-CG1 3.58Å
157	I	87.7	Confident	86.4	Confident	16 Å²	16	70.7 Å²	70.7	8%	0.082	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.7	166.7	-59.1	-174.6	0	0	0	108	E155 V163 F164 R166 F169	E155-I157 PolarHBondContact O-N 2.93Å; I157-V163 CarbonylContact O-C 3.57Å; I157-V163 WeakPolarHBondContact O-CA 3.42Å; I157-F164 HydrophobicContact CB-CB 4.44Å; I157-F164 PolarHBondContact N-O 2.78Å; I157-F164 PolarHBondContact O-N 3.31Å; I157-R166 HydrophobicContact CD1-CB 4.3Å; I157-R166 HydrophobicContact CD1-CG 4.1Å; I157-R166 HydrophobicContact CG1-CG 4.23Å; I157-F169 HydrophobicContact CD1-CB 3.83Å; I157-F169 HydrophobicContact CD1-CD1 4Å; I157-F169 HydrophobicContact CD1-CG 4.07Å; I157-F169 HydrophobicContact CG2-CD1 4.12Å; I157-F169 HydrophobicContact CG2-CD2 4.03Å; I157-F169 HydrophobicContact CG2-CE1 4.29Å; I157-F169 HydrophobicContact CG2-CE2 4.18Å; I157-F169 HydrophobicContact CG2-CG 4Å; I157-F169 HydrophobicContact CG2-CZ 4.3Å
158	D	87.9	Confident	86.5	Confident	72 Å²	72	70.1 Å²	70.1	39%	0.385	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120	171.8	-58.7	-60.4	0	0	0	109.1	R156 V163	R156-D158 IonicContact CZ-OD1 2.79Å; R156-D158 IonicContact CZ-OD2 3.42Å; R156-D158 VanDerWaalsContact NE-CG 3.31Å; R156-D158 IonicContact NE-OD1 3.22Å; R156-D158 PolarHBondContact NE-OD1 3.16Å; R156-D158 IonicContact NE-OD2 3.32Å; R156-D158 PolarHBondContact NE-OD2 2.95Å; R156-D158 VanDerWaalsContact NH2-CG 3.35Å; R156-D158 IonicContact NH2-OD1 3.07Å; R156-D158 PolarHBondContact NH2-OD1 3.05Å; R156-D158 IonicContact NH2-OD2 3.28Å; R156-D158 PolarHBondContact NH2-OD2 2.84Å; D158-V163 WeakPolarHBondContact OD1-CG2 3.44Å
159	A	84.8	Confident	86.8	Confident	19 Å²	19	65.1 Å²	65.1	16%	0.157	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.2	177	0	0	0	0	0	110.2	G161 K162 F164 F169 V190	A159-G161 PolarHBondContact O-N 3.42Å; A159-G161 VanDerWaalsContact O-N 3.15Å; A159-K162 PolarHBondContact N-O 3.48Å; A159-K162 PolarHBondContact O-N 3.35Å; A159-F164 HydrophobicContact CB-CD2 4.27Å; A159-F164 HydrophobicContact CB-CE2 4.14Å; A159-F169 HydrophobicContact CB-CD2 4.37Å; A159-F169 HydrophobicContact CB-CE2 3.42Å; A159-F169 VanDerWaalsContact CB-CE2 3.42Å; A159-F169 HydrophobicContact CB-CZ 3.93Å; A159-V190 HydrophobicContact CB-CG1 4.19Å
160	V	84.3	Confident	87	Confident	42 Å²	42	63.3 Å²	63.3	26%	0.255	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	36.1	175.7	-139.6	0	0	0	0	114.2	K162 D185 R188 V190	V160-K162 PolarHBondContact O-N 3.32Å; V160-D185 HydrophobicContact CB-CB 4.37Å; V160-D185 HydrophobicContact CG1-CB 3.87Å; V160-D185 HydrophobicContact CG2-CB 3.55Å; V160-R188 VanDerWaalsContact CG1-CA 3.44Å; V160-R188 HydrophobicContact CG1-CB 4.35Å; V160-V190 HydrophobicContact CG2-CG1 3.38Å
161	G	83	Confident	87.3	Confident	89 Å²	89	60.9 Å²	60.9	92%	0.918	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	11.5	-177.6	0	0	0	0	0	114.7	A159	A159-G161 PolarHBondContact O-N 3.42Å; A159-G161 VanDerWaalsContact O-N 3.15Å
162	K	87.5	Confident	87.5	Confident	83 Å²	83	62.9 Å²	62.9	36%	0.361	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	158.2	177.1	-68.5	171.2	179.8	171.3	0	109.9	A145 A159 V160 F164 R188	A145-K162 HydrophobicContact CB-CB 4Å; A145-K162 HydrophobicContact CB-CD 3.88Å; A145-K162 HydrophobicContact CB-CG 4.22Å; A159-K162 PolarHBondContact N-O 3.48Å; A159-K162 PolarHBondContact O-N 3.35Å; V160-K162 PolarHBondContact O-N 3.32Å; K162-F164 HydrophobicContact CB-CD2 4.46Å; K162-F164 HydrophobicContact CB-CE2 3.61Å; K162-F164 HydrophobicContact CB-CZ 3.78Å; K162-F164 HydrophobicContact CD-CZ 4.14Å; K162-R188 PolarHBondContact NZ-O 3.11Å
163	V	89.5	Confident	87.8	Confident	15 Å²	15	59.5 Å²	59.5	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.3	178.4	-169.3	0	0	0	0	109.5	N142 C144 A145 V151 R156 I157 D158	N142-V163 HydrophobicContact CB-CB 3.96Å; N142-V163 HydrophobicContact CB-CG1 3.96Å; N142-V163 HydrophobicContact CB-CG2 3.75Å; C144-V163 CarbonylContact C-O 3.54Å; C144-V163 VanDerWaalsContact CA-O 3.28Å; C144-V163 WeakPolarHBondContact CA-O 3.22Å; A145-V163 PolarHBondContact N-O 3.46Å; V151-V163 HydrophobicContact CB-CG1 3.91Å; V151-V163 HydrophobicContact CG1-CG1 3.87Å; V151-V163 HydrophobicContact CG2-CG1 4Å; R156-V163 HydrophobicContact CG-CG1 3.58Å; I157-V163 CarbonylContact O-C 3.57Å; I157-V163 WeakPolarHBondContact O-CA 3.42Å; D158-V163 WeakPolarHBondContact OD1-CG2 3.44Å
164	F	89.9	Confident	88.2	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.7	-178.9	-57.6	-89.8	0	0	0	111	A145 N146 I157 A159 K162 F169	A145-F164 HydrophobicContact CB-CD1 4.19Å; A145-F164 HydrophobicContact CB-CE1 3.61Å; A145-F164 HydrophobicContact CB-CZ 3.94Å; N146-F164 HydrophobicContact CB-CD1 4.33Å; I157-F164 HydrophobicContact CB-CB 4.44Å; I157-F164 PolarHBondContact N-O 2.78Å; I157-F164 PolarHBondContact O-N 3.31Å; A159-F164 HydrophobicContact CB-CD2 4.27Å; A159-F164 HydrophobicContact CB-CE2 4.14Å; K162-F164 HydrophobicContact CB-CD2 4.46Å; K162-F164 HydrophobicContact CB-CE2 3.61Å; K162-F164 HydrophobicContact CB-CZ 3.78Å; K162-F164 HydrophobicContact CD-CZ 4.14Å; F164-F169 HydrophobicContact CB-CB 4.15Å; F164-F169 HydrophobicContact CB-CD2 4.19Å; F164-F169 AromaticContact CD2-CD2 3.93Å; F164-F169 HydrophobicContact CD2-CD2 3.93Å; F164-F169 HydrophobicContact CD2-CE2 4.36Å; F164-F169 HydrophobicContact CE2-CD2 4.49Å; F164-F169 HydrophobicContact CG-CD2 4.05Å
165	H	89.3	Confident	88.4	Confident	16 Å²	16	57.2 Å²	57.2	7%	0.074	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	155.1	160.4	-55.5	107	0	0	0	110.5	C144 C147 I150 E155 L167 C168 F169	C144-H165 VanDerWaalsContact CB-CE1 3.42Å; C144-H165 WeakPolarHBondContact CB-CE1 3.47Å; C144-H165 WeakPolarHBondContact CB-ND1 3.11Å; C147-H165 PolarHBondContact SG-CE1 3.01Å; C147-H165 PolarHBondContact SG-ND1 3.48Å; I150-H165 PolarHBondContact O-NE2 2.94Å; E155-H165 CarbonylContact O-C 3.52Å; E155-H165 WeakPolarHBondContact O-CA 3.39Å; E155-H165 IonicContact OE1-CD2 3.44Å; E155-H165 PolarHBondContact OE1-CD2 3.18Å; E155-H165 IonicContact OE1-NE2 3.8Å; E155-H165 IonicContact OE2-CD2 3.94Å; E155-H165 PolarHBondContact OE2-CD2 2.88Å; H165-L167 PolarHBondContact O-N 2.78Å; H165-L167 VanDerWaalsContact O-N 3.16Å; H165-C168 HydrophobicContact CB-CB 3.85Å; H165-C168 CarbonylContact O-C 3.58Å; H165-C168 PolarHBondContact O-N 2.75Å; H165-F169 PolarHBondContact O-N 3.46Å
166	R	88.7	Confident	88.6	Confident	149 Å²	149	62.8 Å²	62.8	56%	0.562	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-39.5	172.3	-62.2	-176.3	67.9	-171.6	-0.5	113.5	E155 I157	E155-R166 HydrophobicContact CB-CG 4.16Å; E155-R166 WeakPolarHBondContact O-CG 3.43Å; E155-R166 PolarHBondContact O-N 3.45Å; I157-R166 HydrophobicContact CD1-CB 4.3Å; I157-R166 HydrophobicContact CD1-CG 4.1Å; I157-R166 HydrophobicContact CG1-CG 4.23Å
167	L	88.6	Confident	88.8	Confident	141 Å²	141	62.1 Å²	62.1	74%	0.738	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.2	179.6	-60.3	177.8	0	0	0	113.3	H165 L177	H165-L167 PolarHBondContact O-N 2.78Å; H165-L167 VanDerWaalsContact O-N 3.16Å; L167-L177 VanDerWaalsContact O-CD2 3.31Å; L167-L177 WeakPolarHBondContact O-CD2 3.41Å
168	C	89.1	Confident	88.7	Confident	21 Å²	21	61.8 Å²	61.8	14%	0.142	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.7	177.4	-74.9	0	0	0	0	112.3	C144 N146 H165 K170	C144-C168 VanDerWaalsContact SG-CB 3.56Å; N146-C168 HydrophobicContact CB-CB 4Å; N146-C168 PolarHBondContact ND2-O 2.79Å; H165-C168 HydrophobicContact CB-CB 3.85Å; H165-C168 CarbonylContact O-C 3.58Å; H165-C168 PolarHBondContact O-N 2.75Å; C168-K170 PolarHBondContact O-N 2.95Å
169	F	90.2	Very high	88.6	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.013	34%	0.337	C	S	.	.			trans	-75.4	87.2	178	-168.5	-120.8	0	0	0	110.9	I157 A159 F164 H165 L178 A183 V190	I157-F169 HydrophobicContact CD1-CB 3.83Å; I157-F169 HydrophobicContact CD1-CD1 4Å; I157-F169 HydrophobicContact CD1-CG 4.07Å; I157-F169 HydrophobicContact CG2-CD1 4.12Å; I157-F169 HydrophobicContact CG2-CD2 4.03Å; I157-F169 HydrophobicContact CG2-CE1 4.29Å; I157-F169 HydrophobicContact CG2-CE2 4.18Å; I157-F169 HydrophobicContact CG2-CG 4Å; I157-F169 HydrophobicContact CG2-CZ 4.3Å; A159-F169 HydrophobicContact CB-CD2 4.37Å; A159-F169 HydrophobicContact CB-CE2 3.42Å; A159-F169 VanDerWaalsContact CB-CE2 3.42Å; A159-F169 HydrophobicContact CB-CZ 3.93Å; F164-F169 HydrophobicContact CB-CB 4.15Å; F164-F169 HydrophobicContact CB-CD2 4.19Å; F164-F169 AromaticContact CD2-CD2 3.93Å; F164-F169 HydrophobicContact CD2-CD2 3.93Å; F164-F169 HydrophobicContact CD2-CE2 4.36Å; F164-F169 HydrophobicContact CE2-CD2 4.49Å; F164-F169 HydrophobicContact CG-CD2 4.05Å; H165-F169 PolarHBondContact O-N 3.46Å; F169-L178 HydrophobicContact CD1-CB 3.6Å; F169-L178 VanDerWaalsContact CD1-O 3.26Å; F169-L178 WeakPolarHBondContact CD1-O 3.43Å; F169-L178 HydrophobicContact CE1-CB 3.49Å; F169-L178 VanDerWaalsContact CE1-CB 3.49Å; F169-L178 HydrophobicContact CG-CB 4.42Å; F169-L178 HydrophobicContact CZ-CB 4.26Å; F169-L178 PolarHBondContact O-N 2.89Å; F169-A183 HydrophobicContact CE1-CB 3.67Å; F169-A183 HydrophobicContact CE2-CB 4.35Å; F169-A183 HydrophobicContact CZ-CB 3.28Å; F169-V190 HydrophobicContact CD2-CG2 4.46Å; F169-V190 HydrophobicContact CE2-CB 4.15Å; F169-V190 HydrophobicContact CE2-CG1 3.78Å; F169-V190 HydrophobicContact CE2-CG2 4.26Å; F169-V190 HydrophobicContact CZ-CG1 4.45Å
170	K	90.6	Very high	88.3	Confident	63 Å²	63	72.6 Å²	72.6	27%	0.274	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-132.7	150.8	-173.5	69.2	-158.3	174.9	-171.9	0	110.5	C168 T172 R176 V190	C168-K170 PolarHBondContact O-N 2.95Å; K170-T172 PolarHBondContact O-N 3.29Å; K170-R176 CarbonylContact C-O 3.53Å; K170-R176 VanDerWaalsContact CA-O 3.23Å; K170-R176 WeakPolarHBondContact CA-O 3.5Å; K170-V190 WeakPolarHBondContact O-CG2 3.17Å
171	C	91.8	Very high	88.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.392	C	S	.	.			trans	-63.4	132.8	176	174.3	0	0	0	0	111	D173 C174 Q175 R176 L178 V190 C192	C171-D173 VanDerWaalsContact C-N 3.29Å; C171-D173 PolarHBondContact O-N 3.39Å; C171-D173 PolarHBondContact SG-N 3.36Å; C171-C174 WeakPolarHBondContact CB-SG 3.36Å; C171-C174 PolarHBondContact SG-SG 2.84Å; C171-Q175 WeakPolarHBondContact O-CA 3.23Å; C171-Q175 PolarHBondContact O-N 2.8Å; C171-Q175 PolarHBondContact O-NE2 3.47Å; C171-R176 PolarHBondContact N-O 3.25Å; C171-L178 HydrophobicContact CB-CD1 4.17Å; C171-L178 HydrophobicContact CB-CD2 4.22Å; C171-L178 HydrophobicContact CB-CG 4.3Å; C171-V190 WeakPolarHBondContact CA-O 3.25Å; C171-C192 HydrophobicContact CB-CB 4.19Å; C171-C192 PolarHBondContact SG-N 3.46Å
172	T	90.9	Very high	88.1	Confident	55 Å²	55	73.6 Å²	73.6	34%	0.337	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-42.6	177.4	-52.4	0	0	0	0	112.2	K170 Q175 V190	K170-T172 PolarHBondContact O-N 3.29Å; T172-Q175 PolarHBondContact O-NE2 2.87Å; T172-V190 PolarHBondContact N-O 2.99Å; T172-V190 PolarHBondContact OG1-O 3.45Å
173	D	90	Very high	88.1	Confident	78 Å²	78	71.1 Å²	71.1	42%	0.417	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-48.6	-175.1	-62.9	-36.3	0	0	0	114.3	C171 F191 C195 N199	C171-D173 VanDerWaalsContact C-N 3.29Å; C171-D173 PolarHBondContact O-N 3.39Å; C171-D173 PolarHBondContact SG-N 3.36Å; D173-F191 WeakPolarHBondContact OD2-CD1 3.39Å; D173-F191 VanDerWaalsContact OD2-CE1 3.22Å; D173-F191 WeakPolarHBondContact OD2-CE1 3.42Å; D173-C195 HydrophobicContact CB-CB 4.16Å; D173-N199 PolarHBondContact OD2-ND2 2.94Å
174	C	92.2	Very high	88	Confident	59 Å²	59	71.6 Å²	71.6	40%	0.399	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-3.7	-172.9	65.5	0	0	0	0	113.9	C171 R176 C192	C171-C174 WeakPolarHBondContact CB-SG 3.36Å; C171-C174 PolarHBondContact SG-SG 2.84Å; C174-R176 PolarHBondContact O-N 3.45Å; C174-R176 VanDerWaalsContact SG-CB 3.53Å; C174-C192 VanDerWaalsContact SG-SG 3.64Å
175	Q	89.5	Confident	87.9	Confident	103 Å²	103	76.5 Å²	76.5	48%	0.481	40%	0.396	S	S	.	.			trans	56	14.4	-178.2	-58	-65.9	-42.4	0	0	114.3	C171 T172	C171-Q175 WeakPolarHBondContact O-CA 3.23Å; C171-Q175 PolarHBondContact O-N 2.8Å; C171-Q175 PolarHBondContact O-NE2 3.47Å; T172-Q175 PolarHBondContact O-NE2 2.87Å
176	R	88.5	Confident	87.8	Confident	179 Å²	179	78.1 Å²	78.1	68%	0.675	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-68.4	132.8	174.3	-178.8	176.4	172.5	151.6	-0.9	109.5	K170 C171 C174 L178	K170-R176 CarbonylContact C-O 3.53Å; K170-R176 VanDerWaalsContact CA-O 3.23Å; K170-R176 WeakPolarHBondContact CA-O 3.5Å; C171-R176 PolarHBondContact N-O 3.25Å; C174-R176 PolarHBondContact O-N 3.45Å; C174-R176 VanDerWaalsContact SG-CB 3.53Å; R176-L178 PolarHBondContact O-N 3.01Å
177	L	90	Very high	87.7	Confident	95 Å²	95	77.1 Å²	77.1	50%	0.497	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-57	126.6	169.9	-74	165.6	0	0	0	109.8	L167	L167-L177 VanDerWaalsContact O-CD2 3.31Å; L167-L177 WeakPolarHBondContact O-CD2 3.41Å
178	L	86.9	Confident	87.5	Confident	9 Å²	9	79.2 Å²	79.2	5%	0.047	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-97.9	150.3	178.1	-62.1	175.8	0	0	0	108.9	F169 C171 R176 A183 V190 C192	F169-L178 HydrophobicContact CD1-CB 3.6Å; F169-L178 VanDerWaalsContact CD1-O 3.26Å; F169-L178 WeakPolarHBondContact CD1-O 3.43Å; F169-L178 HydrophobicContact CE1-CB 3.49Å; F169-L178 VanDerWaalsContact CE1-CB 3.49Å; F169-L178 HydrophobicContact CG-CB 4.42Å; F169-L178 HydrophobicContact CZ-CB 4.26Å; F169-L178 PolarHBondContact O-N 2.89Å; C171-L178 HydrophobicContact CB-CD1 4.17Å; C171-L178 HydrophobicContact CB-CD2 4.22Å; C171-L178 HydrophobicContact CB-CG 4.3Å; R176-L178 PolarHBondContact O-N 3.01Å; L178-A183 HydrophobicContact CB-CB 4.12Å; L178-A183 HydrophobicContact CD1-CB 3.77Å; L178-A183 HydrophobicContact CG-CB 4.44Å; L178-V190 HydrophobicContact CD1-CB 4.08Å; L178-V190 HydrophobicContact CD1-CG2 4.3Å; L178-C192 HydrophobicContact CD2-CB 3.56Å
179	D	84.1	Confident	87.4	Confident	115 Å²	115	82.4 Å²	82.4	62%	0.615	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-96.9	155.3	168.8	-65.4	-55.4	0	0	0	108.9	G181 T182 A183	D179-G181 PolarHBondContact O-N 3.24Å; D179-T182 PolarHBondContact N-OG1 3.45Å; D179-T182 PolarHBondContact O-N 3.3Å; D179-T182 PolarHBondContact O-OG1 2.94Å; D179-A183 PolarHBondContact O-N 2.85Å
180	R	79.9	Confident	87.4	Confident	202 Å²	202	82.6 Å²	82.6	76%	0.762	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.7	-178.4	-168.4	176.8	-175.8	-178.4	2.2	113.7
181	G	80.8	Confident	87.5	Confident	77 Å²	77	79.8 Å²	79.8	79%	0.794	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-5.3	-179.6	0	0	0	0	0	116.7	D179	D179-G181 PolarHBondContact O-N 3.24Å
182	T	82.8	Confident	87.4	Confident	75 Å²	75	80.5 Å²	80.5	46%	0.46	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-4.5	-174.7	57.8	0	0	0	0	114.1	D179	D179-T182 PolarHBondContact N-OG1 3.45Å; D179-T182 PolarHBondContact O-N 3.3Å; D179-T182 PolarHBondContact O-OG1 2.94Å
183	A	85.8	Confident	87.4	Confident	31 Å²	31	82.9 Å²	82.9	26%	0.256	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.6	175.3	0	0	0	0	0	111	F169 L178 D179	F169-A183 HydrophobicContact CE1-CB 3.67Å; F169-A183 HydrophobicContact CE2-CB 4.35Å; F169-A183 HydrophobicContact CZ-CB 3.28Å; L178-A183 HydrophobicContact CB-CB 4.12Å; L178-A183 HydrophobicContact CD1-CB 3.77Å; L178-A183 HydrophobicContact CG-CB 4.44Å; D179-A183 PolarHBondContact O-N 2.85Å
184	C	88.4	Confident	87.5	Confident	26 Å²	26	85.1 Å²	85.1	18%	0.176	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.8	168.1	-56.7	0	0	0	0	108.5	F191 Y196	C184-F191 PolarHBondContact N-O 3.08Å; C184-F191 PolarHBondContact O-N 3.04Å; C184-Y196 HydrophobicContact CB-CD1 4.29Å; C184-Y196 HydrophobicContact CB-CD2 3.78Å; C184-Y196 HydrophobicContact CB-CE2 4.49Å; C184-Y196 HydrophobicContact CB-CG 3.67Å
185	D	87.8	Confident	87.5	Confident	110 Å²	110	83.2 Å²	83.2	59%	0.588	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	135.2	175.1	62.1	-62.2	0	0	0	111.5	V160 E189	V160-D185 HydrophobicContact CB-CB 4.37Å; V160-D185 HydrophobicContact CG1-CB 3.87Å; V160-D185 HydrophobicContact CG2-CB 3.55Å; D185-E189 WeakPolarHBondContact CA-O 3.48Å
186	H	86.9	Confident	87.6	Confident	50 Å²	50	81.9 Å²	81.9	23%	0.231	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	131.6	169.6	-167.4	73.2	0	0	0	108.5	R188 E189 F191 Y196 F200	H186-R188 VanDerWaalsContact C-N 3.3Å; H186-R188 PolarHBondContact O-N 2.89Å; H186-R188 VanDerWaalsContact O-N 3.14Å; H186-E189 PolarHBondContact N-O 2.8Å; H186-E189 PolarHBondContact O-N 3.02Å; H186-F191 HydrophobicContact CB-CD2 3.84Å; H186-F191 HydrophobicContact CB-CE2 3.73Å; H186-Y196 HydrophobicContact CB-CD2 4.13Å; H186-Y196 HydrophobicContact CB-CE2 3.89Å; H186-F200 HydrophobicContact CB-CD2 4.07Å; H186-F200 HydrophobicContact CB-CE2 3.99Å; H186-F200 HydrophobicContact CB-CZ 4.5Å; H186-F200 AromaticContact CD2-CD1 3.46Å; H186-F200 VanDerWaalsContact CD2-CD1 3.46Å; H186-F200 WeakPolarHBondContact CD2-CD1 3.4Å; H186-F200 AromaticContact CD2-CD2 3.81Å; H186-F200 AromaticContact CD2-CE1 3.19Å; H186-F200 WeakPolarHBondContact CD2-CE1 3.45Å; H186-F200 AromaticContact CD2-CE2 3.56Å; H186-F200 AromaticContact CD2-CG 3.77Å; H186-F200 AromaticContact CD2-CZ 3.25Å; H186-F200 WeakPolarHBondContact CD2-CZ 3.48Å; H186-F200 AromaticContact CE1-CD1 3.77Å; H186-F200 AromaticContact CG-CD2 3.81Å; H186-F200 AromaticContact CG-CE2 3.86Å; H186-F200 AromaticContact CG-CG 3.92Å; H186-F200 AromaticContact NE2-CD1 3.26Å; H186-F200 VanDerWaalsContact NE2-CD1 3.26Å; H186-F200 WeakPolarHBondContact NE2-CD1 3.39Å; H186-F200 AromaticContact NE2-CE1 3.28Å; H186-F200 VanDerWaalsContact NE2-CE1 3.28Å; H186-F200 WeakPolarHBondContact NE2-CE1 3.38Å; H186-F200 AromaticContact NE2-CG 3.85Å; H186-F200 AromaticContact NE2-CZ 3.88Å
187	N	87.2	Confident	87.6	Confident	127 Å²	127	77.5 Å²	77.5	68%	0.679	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	39.9	176.8	-63.3	-18.1	0	0	0	116	E189	N187-E189 PolarHBondContact O-N 3.44Å
188	R	84.5	Confident	87.6	Confident	186 Å²	186	81.2 Å²	81.2	70%	0.702	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	20.8	-177.3	-54.4	-178.4	-176.3	-132.4	1.8	115.2	V160 K162 H186	V160-R188 VanDerWaalsContact CG1-CA 3.44Å; V160-R188 HydrophobicContact CG1-CB 4.35Å; K162-R188 PolarHBondContact NZ-O 3.11Å; H186-R188 VanDerWaalsContact C-N 3.3Å; H186-R188 PolarHBondContact O-N 2.89Å; H186-R188 VanDerWaalsContact O-N 3.14Å
189	E	87.3	Confident	87.6	Confident	88 Å²	88	84.4 Å²	84.4	41%	0.411	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	161.5	174.2	-61	-169.5	159.6	0	0	110.9	D185 H186 N187 F191	D185-E189 WeakPolarHBondContact CA-O 3.48Å; H186-E189 PolarHBondContact N-O 2.8Å; H186-E189 PolarHBondContact O-N 3.02Å; N187-E189 PolarHBondContact O-N 3.44Å; E189-F191 HydrophobicContact CB-CE2 3.65Å; E189-F191 HydrophobicContact CB-CZ 3.9Å; E189-F191 WeakPolarHBondContact OE2-CZ 3.42Å
190	V	89.8	Confident	87.8	Confident	6 Å²	6	82.6 Å²	82.6	4%	0.036	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.5	-173.3	-66.5	0	0	0	0	109.8	A159 V160 F169 K170 C171 T172 L178	A159-V190 HydrophobicContact CB-CG1 4.19Å; V160-V190 HydrophobicContact CG2-CG1 3.38Å; F169-V190 HydrophobicContact CD2-CG2 4.46Å; F169-V190 HydrophobicContact CE2-CB 4.15Å; F169-V190 HydrophobicContact CE2-CG1 3.78Å; F169-V190 HydrophobicContact CE2-CG2 4.26Å; F169-V190 HydrophobicContact CZ-CG1 4.45Å; K170-V190 WeakPolarHBondContact O-CG2 3.17Å; C171-V190 WeakPolarHBondContact CA-O 3.25Å; T172-V190 PolarHBondContact N-O 2.99Å; T172-V190 PolarHBondContact OG1-O 3.45Å; L178-V190 HydrophobicContact CD1-CB 4.08Å; L178-V190 HydrophobicContact CD1-CG2 4.3Å
191	F	91.5	Very high	87.9	Confident	5 Å²	5	73.6 Å²	73.6	2%	0.022	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.9	-176.9	-62	-81.7	0	0	0	110.4	D173 C184 H186 E189 F200	D173-F191 WeakPolarHBondContact OD2-CD1 3.39Å; D173-F191 VanDerWaalsContact OD2-CE1 3.22Å; D173-F191 WeakPolarHBondContact OD2-CE1 3.42Å; C184-F191 PolarHBondContact N-O 3.08Å; C184-F191 PolarHBondContact O-N 3.04Å; H186-F191 HydrophobicContact CB-CD2 3.84Å; H186-F191 HydrophobicContact CB-CE2 3.73Å; E189-F191 HydrophobicContact CB-CE2 3.65Å; E189-F191 HydrophobicContact CB-CZ 3.9Å; E189-F191 WeakPolarHBondContact OE2-CZ 3.42Å; F191-F200 HydrophobicContact CD1-CE2 4.43Å; F191-F200 HydrophobicContact CD2-CE2 4.12Å; F191-F200 HydrophobicContact CE1-CE2 4.2Å; F191-F200 AromaticContact CE2-CE2 3.87Å; F191-F200 HydrophobicContact CE2-CE2 3.87Å; F191-F200 HydrophobicContact CE2-CZ 4.39Å; F191-F200 HydrophobicContact CG-CE2 4.4Å; F191-F200 AromaticContact CZ-CE2 3.91Å; F191-F200 HydrophobicContact CZ-CE2 3.91Å; F191-F200 HydrophobicContact CZ-CZ 4.2Å
192	C	91.6	Very high	87.9	Confident	14 Å²	14	76.1 Å²	76.1	10%	0.095	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	154.9	163.7	75.2	0	0	0	0	109.1	C171 C174 L178 N194 C195 Y196	C171-C192 HydrophobicContact CB-CB 4.19Å; C171-C192 PolarHBondContact SG-N 3.46Å; C174-C192 VanDerWaalsContact SG-SG 3.64Å; L178-C192 HydrophobicContact CD2-CB 3.56Å; C192-N194 PolarHBondContact O-N 2.99Å; C192-N194 VanDerWaalsContact O-N 3.17Å; C192-C195 PolarHBondContact O-N 2.9Å; C192-C195 VanDerWaalsContact O-N 3.08Å; C192-C195 VanDerWaalsContact SG-CB 3.54Å; C192-C195 PolarHBondContact SG-N 3.17Å; C192-C195 PolarHBondContact SG-SG 2.77Å; C192-Y196 WeakPolarHBondContact O-CB 3.37Å; C192-Y196 PolarHBondContact O-N 3.18Å
193	H	90.7	Very high	87.2	Confident	106 Å²	106	82.5 Å²	82.5	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-48.5	-44.5	177.6	-174.4	69.8	0	0	0	113.3	Y196 I197	H193-Y196 PolarHBondContact O-N 3.37Å; H193-I197 VanDerWaalsContact CE1-CD1 3.5Å; H193-I197 WeakPolarHBondContact CE1-CD1 3.28Å; H193-I197 WeakPolarHBondContact NE2-CD1 3.19Å; H193-I197 WeakPolarHBondContact O-CG1 3.43Å; H193-I197 PolarHBondContact O-N 2.92Å
194	N	90.3	Very high	85.9	Confident	125 Å²	125	83.9 Å²	83.9	67%	0.668	43%	0.427	S	S	*	.	H	α-helix	trans	-65.9	-42	-179.8	-64.6	47	0	0	0	112.9	C192 K198	C192-N194 PolarHBondContact O-N 2.99Å; C192-N194 VanDerWaalsContact O-N 3.17Å; N194-K198 WeakPolarHBondContact O-CB 3.26Å; N194-K198 PolarHBondContact O-N 3.37Å
195	C	92.3	Very high	84.5	Confident	18 Å²	18	90.4 Å²	90.4	12%	0.122	46%	0.459	C	S	.	.	H	α-helix	trans	-70.2	-38.4	177.2	-75	0	0	0	0	111.1	D173 C192 K198 N199	D173-C195 HydrophobicContact CB-CB 4.16Å; C192-C195 PolarHBondContact O-N 2.9Å; C192-C195 VanDerWaalsContact O-N 3.08Å; C192-C195 VanDerWaalsContact SG-CB 3.54Å; C192-C195 PolarHBondContact SG-N 3.17Å; C192-C195 PolarHBondContact SG-SG 2.77Å; C195-K198 PolarHBondContact O-N 2.85Å; C195-N199 WeakPolarHBondContact O-CB 3.46Å; C195-N199 PolarHBondContact O-N 3.26Å
196	Y	91.8	Very high	83.1	Confident	75 Å²	75	94.9 Å²	94.9	29%	0.294	47%	0.473	S	S	.	.	H	α-helix	trans	-60.1	-49.6	175.7	-178.6	-94.3	0	0	0	111.4	C184 H186 C192 H193 K198 N199 F200 G201	C184-Y196 HydrophobicContact CB-CD1 4.29Å; C184-Y196 HydrophobicContact CB-CD2 3.78Å; C184-Y196 HydrophobicContact CB-CE2 4.49Å; C184-Y196 HydrophobicContact CB-CG 3.67Å; H186-Y196 HydrophobicContact CB-CD2 4.13Å; H186-Y196 HydrophobicContact CB-CE2 3.89Å; C192-Y196 WeakPolarHBondContact O-CB 3.37Å; C192-Y196 PolarHBondContact O-N 3.18Å; H193-Y196 PolarHBondContact O-N 3.37Å; Y196-K198 VanDerWaalsContact C-N 3.35Å; Y196-K198 PolarHBondContact O-N 2.9Å; Y196-N199 PolarHBondContact O-N 3.15Å; Y196-F200 HydrophobicContact CD2-CB 4.4Å; Y196-F200 AromaticContact CD2-CD2 3.84Å; Y196-F200 HydrophobicContact CD2-CD2 3.84Å; Y196-F200 HydrophobicContact CE2-CB 4.2Å; Y196-F200 HydrophobicContact CE2-CD2 4.22Å; Y196-F200 CarbonylContact O-C 3.54Å; Y196-F200 WeakPolarHBondContact O-CA 3.28Å; Y196-F200 WeakPolarHBondContact O-CB 3.43Å; Y196-F200 PolarHBondContact O-N 3.29Å; Y196-G201 PolarHBondContact O-N 2.77Å
197	I	89.8	Confident	81.5	Confident	87 Å²	87	96.7 Å²	96.7	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-40.4	176.8	-66.8	171	0	0	0	111.3	H193 N199 G201	H193-I197 VanDerWaalsContact CE1-CD1 3.5Å; H193-I197 WeakPolarHBondContact CE1-CD1 3.28Å; H193-I197 WeakPolarHBondContact NE2-CD1 3.19Å; H193-I197 WeakPolarHBondContact O-CG1 3.43Å; H193-I197 PolarHBondContact O-N 2.92Å; I197-N199 VanDerWaalsContact C-N 3.35Å; I197-N199 PolarHBondContact O-N 3.14Å; I197-G201 WeakPolarHBondContact O-CA 3.33Å; I197-G201 PolarHBondContact O-N 3.04Å
198	K	89.3	Confident	79.7	Confident	173 Å²	173	93.9 Å²	93.9	75%	0.752	50%	0.498	S	S	*	.	H	α-helix	trans	-63.5	-40	-178.9	-175.4	-178.1	177.1	-172.4	0	112.6	N194 C195 Y196	N194-K198 WeakPolarHBondContact O-CB 3.26Å; N194-K198 PolarHBondContact O-N 3.37Å; C195-K198 PolarHBondContact O-N 2.85Å; Y196-K198 VanDerWaalsContact C-N 3.35Å; Y196-K198 PolarHBondContact O-N 2.9Å
199	N	87.4	Confident	78.7	Confident	77 Å²	77	89.9 Å²	89.9	41%	0.412	49%	0.494	S	S	.	.	H	α-helix	trans	-96.3	-36	-173.3	-67.2	-18.2	0	0	0	113	D173 C195 Y196 I197	D173-N199 PolarHBondContact OD2-ND2 2.94Å; C195-N199 WeakPolarHBondContact O-CB 3.46Å; C195-N199 PolarHBondContact O-N 3.26Å; Y196-N199 PolarHBondContact O-N 3.15Å; I197-N199 VanDerWaalsContact C-N 3.35Å; I197-N199 PolarHBondContact O-N 3.14Å
200	F	88.8	Confident	77	Confident	76 Å²	76	93.7 Å²	93.7	33%	0.333	52%	0.517	S	S	.	.	H	α-helix	trans	-124.6	-3.5	-172	-48.4	-66.3	0	0	0	113.8	H186 F191 Y196	H186-F200 HydrophobicContact CB-CD2 4.07Å; H186-F200 HydrophobicContact CB-CE2 3.99Å; H186-F200 HydrophobicContact CB-CZ 4.5Å; H186-F200 AromaticContact CD2-CD1 3.46Å; H186-F200 VanDerWaalsContact CD2-CD1 3.46Å; H186-F200 WeakPolarHBondContact CD2-CD1 3.4Å; H186-F200 AromaticContact CD2-CD2 3.81Å; H186-F200 AromaticContact CD2-CE1 3.19Å; H186-F200 WeakPolarHBondContact CD2-CE1 3.45Å; H186-F200 AromaticContact CD2-CE2 3.56Å; H186-F200 AromaticContact CD2-CG 3.77Å; H186-F200 AromaticContact CD2-CZ 3.25Å; H186-F200 WeakPolarHBondContact CD2-CZ 3.48Å; H186-F200 AromaticContact CE1-CD1 3.77Å; H186-F200 AromaticContact CG-CD2 3.81Å; H186-F200 AromaticContact CG-CE2 3.86Å; H186-F200 AromaticContact CG-CG 3.92Å; H186-F200 AromaticContact NE2-CD1 3.26Å; H186-F200 VanDerWaalsContact NE2-CD1 3.26Å; H186-F200 WeakPolarHBondContact NE2-CD1 3.39Å; H186-F200 AromaticContact NE2-CE1 3.28Å; H186-F200 VanDerWaalsContact NE2-CE1 3.28Å; H186-F200 WeakPolarHBondContact NE2-CE1 3.38Å; H186-F200 AromaticContact NE2-CG 3.85Å; H186-F200 AromaticContact NE2-CZ 3.88Å; F191-F200 HydrophobicContact CD1-CE2 4.43Å; F191-F200 HydrophobicContact CD2-CE2 4.12Å; F191-F200 HydrophobicContact CE1-CE2 4.2Å; F191-F200 AromaticContact CE2-CE2 3.87Å; F191-F200 HydrophobicContact CE2-CE2 3.87Å; F191-F200 HydrophobicContact CE2-CZ 4.39Å; F191-F200 HydrophobicContact CG-CE2 4.4Å; F191-F200 AromaticContact CZ-CE2 3.91Å; F191-F200 HydrophobicContact CZ-CE2 3.91Å; F191-F200 HydrophobicContact CZ-CZ 4.2Å; Y196-F200 HydrophobicContact CD2-CB 4.4Å; Y196-F200 AromaticContact CD2-CD2 3.84Å; Y196-F200 HydrophobicContact CD2-CD2 3.84Å; Y196-F200 HydrophobicContact CE2-CB 4.2Å; Y196-F200 HydrophobicContact CE2-CD2 4.22Å; Y196-F200 CarbonylContact O-C 3.54Å; Y196-F200 WeakPolarHBondContact O-CA 3.28Å; Y196-F200 WeakPolarHBondContact O-CB 3.43Å; Y196-F200 PolarHBondContact O-N 3.29Å
201	G	81.4	Confident	75.2	Confident	14 Å²	14	100.3 Å²	100.3	14%	0.144	55%	0.552	C	S	.	*	S	Bend	trans	-64.2	151	175.2	0	0	0	0	0	111.4	Y196 I197 K203	Y196-G201 PolarHBondContact O-N 2.77Å; I197-G201 WeakPolarHBondContact O-CA 3.33Å; I197-G201 PolarHBondContact O-N 3.04Å; G201-K203 PolarHBondContact O-N 2.79Å
202	P	80.6	Confident	73.2	Confident	130 Å²	130	108.5 Å²	108.5	84%	0.844	59%	0.589	S	S	*	*			trans	-57.7	126.2	173.2	25.7	-33	0	0	0	108.3	G204	P202-G204 PolarHBondContact O-N 3.07Å
203	K	67.3	Low	71.1	Confident	209 Å²	209	114.3 Å²	114.3	91%	0.909	63%	0.629	S	S	*	*			trans	-71.9	74.8	170.8	-66.8	-179.7	-177.5	176.1	0	108	G201	G201-K203 PolarHBondContact O-N 2.79Å
204	G	59.3	Low	69	Low	59 Å²	59	117.4 Å²	117.4	61%	0.608	67%	0.673	S	S	*	*			trans	-66	132.8	176	0	0	0	0	0	110	P202 K206	P202-G204 PolarHBondContact O-N 3.07Å; G204-K206 PolarHBondContact O-N 3.28Å
205	I	59.8	Low	67.9	Low	164 Å²	164	117.1 Å²	117.1	84%	0.841	67%	0.673	S	S	*	*			trans	-40.4	118.8	177.2	-63.5	156.9	0	0	0	109.6	A207	I205-A207 VanDerWaalsContact C-N 3.28Å; I205-A207 PolarHBondContact O-N 2.96Å
206	K	57.2	Low	66.7	Low	203 Å²	203	122.3 Å²	122.3	88%	0.883	70%	0.702	S	S	*	*			trans	-64	98.3	163.9	-69.8	-178.6	-178.9	177.9	0	106	G204 G208	G204-K206 PolarHBondContact O-N 3.28Å; K206-G208 PolarHBondContact O-N 2.8Å
207	A	54.2	Low	65.3	Low	89 Å²	89	124.9 Å²	124.9	74%	0.736	73%	0.725	S	S	*	*			trans	-68	77.6	161.7	0	0	0	0	0	107.1	I205 T209	I205-A207 VanDerWaalsContact C-N 3.28Å; I205-A207 PolarHBondContact O-N 2.96Å; A207-T209 VanDerWaalsContact C-N 3.32Å; A207-T209 PolarHBondContact O-N 2.71Å
208	G	49.6	Very low	63.8	Low	68 Å²	68	127.1 Å²	127.1	70%	0.701	74%	0.741	S	S	*	*			trans	-77.4	89.6	163.3	0	0	0	0	0	107.1	K206	K206-G208 PolarHBondContact O-N 2.8Å
209	T	61.9	Low	62.2	Low	102 Å²	102	124.3 Å²	124.3	63%	0.626	74%	0.74	S	S	*	*			trans	-137.9	115.7	154.8	53.9	0	0	0	0	108.6	A207 L211	A207-T209 VanDerWaalsContact C-N 3.32Å; A207-T209 PolarHBondContact O-N 2.71Å; T209-L211 HydrophobicContact CG2-CD1 4.39Å; T209-L211 PolarHBondContact O-N 3.4Å; T209-L211 WeakPolarHBondContact OG1-CD1 3.44Å
210	N	53.3	Low	60.5	Low	167 Å²	167	127.4 Å²	127.4	89%	0.893	76%	0.762	S	S	*	*			trans	-59.1	95.1	150.7	-74.4	-65.2	0	0	0	106.5
211	L	50.7	Low	58.5	Low	146 Å²	146	131.1 Å²	131.1	76%	0.764	79%	0.793	S	S	*	*			trans	-97.1	98.2	156.9	-100.6	87.7	0	0	0	107.2	T209	T209-L211 HydrophobicContact CG2-CD1 4.39Å; T209-L211 PolarHBondContact O-N 3.4Å; T209-L211 WeakPolarHBondContact OG1-CD1 3.44Å
212	H	50.5	Low	56.8	Low	176 Å²	176	140.1 Å²	140.1	82%	0.815	84%	0.843	S	S	*	*			trans	-65.9	132.1	150.4	-97.9	85.5	0	0	0	107.5	A214	H212-A214 PolarHBondContact O-N 2.89Å
213	C	46.3	Very low	54.8	Low	137 Å²	137	140.9 Å²	140.9	93%	0.926	84%	0.843	S	S	*	*			trans	-66.8	116.3	167.9	-166.9	0	0	0	0	107.9
214	A	47.1	Very low	53.6	Low	171 Å²	171	134.7 Å²	134.7	100%	1.413	84%	0.837	S	S	*	*			trans	-129.1	0	164.3	0	0	0	0	0	107.5	H212	H212-A214 PolarHBondContact O-N 2.89Å

Retrieved 214 of 214 residues in 240.3 ms (Link to these results)

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