A0A5K4F2N7_SCHMA Loading...

CBFD_NFYB_HMF domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2N7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 221 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	55.9	Low	67.3	Low	230 Å²	230	151.4 Å²	151.4	100%	1.133	74%	0.737	S	S	*	*				0	113.2	0	-73.4	-71.3	-136.1	0	0	108.7	A3	M1-A3 PolarHBondContact O-N 3.4Å
2	P	66	Low	69.5	Low	129 Å²	129	146.1 Å²	146.1	84%	0.838	72%	0.723	S	S	*	*			trans	-65.4	121.8	169.2	26.1	-28.7	0	0	0	108.4	K4	P2-K4 PolarHBondContact O-N 3.39Å; P2-K4 VanDerWaalsContact O-N 3.08Å
3	A	66.4	Low	71.4	Confident	92 Å²	92	139 Å²	139	76%	0.76	69%	0.693	S	S	*	*			trans	-60.8	113.8	179.1	0	0	0	0	0	109.4	M1 R5	M1-A3 PolarHBondContact O-N 3.4Å; A3-R5 PolarHBondContact O-N 3.36Å
4	K	61	Low	73.1	Confident	194 Å²	194	136.4 Å²	136.4	84%	0.843	69%	0.688	S	S	*	*			trans	-67.1	99.4	174.9	-165.6	147.5	-176.1	171.5	0	107.5	P2 R6	P2-K4 PolarHBondContact O-N 3.39Å; P2-K4 VanDerWaalsContact O-N 3.08Å; K4-R6 VanDerWaalsContact O-CG 3.27Å; K4-R6 WeakPolarHBondContact O-CG 3.41Å; K4-R6 PolarHBondContact O-N 3.25Å
5	R	62.3	Low	74.7	Confident	220 Å²	220	137.7 Å²	137.7	83%	0.83	68%	0.681	S	S	*	*			trans	-59.1	109	177.1	-72.4	-166.3	-97.7	165.7	-7	108	A3 F7	A3-R5 PolarHBondContact O-N 3.36Å; R5-F7 PolarHBondContact O-N 3.12Å
6	R	64.5	Low	76.1	Confident	224 Å²	224	129.8 Å²	129.8	85%	0.845	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-2.3	-170.5	-55.4	-174.5	75.9	167.1	1.3	113.7	K4	K4-R6 VanDerWaalsContact O-CG 3.27Å; K4-R6 WeakPolarHBondContact O-CG 3.41Å; K4-R6 PolarHBondContact O-N 3.25Å
7	F	58.6	Low	77.3	Confident	186 Å²	186	127.5 Å²	127.5	82%	0.816	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.4	64.3	178.6	-54.7	-73.3	0	0	0	110	R5 S9	R5-F7 PolarHBondContact O-N 3.12Å; F7-S9 PolarHBondContact O-N 3.13Å
8	A	61.7	Low	78.4	Confident	90 Å²	90	127.6 Å²	127.6	74%	0.744	62%	0.624	S	S	*	*			trans	-73.8	80.2	169.1	0	0	0	0	0	108.5
9	S	65.2	Low	79.4	Confident	38 Å²	38	125.6 Å²	125.6	27%	0.266	62%	0.616	S	S	.	*			trans	-66	137.2	175.5	69.7	0	0	0	0	109.6	F7 F11 S38	F7-S9 PolarHBondContact O-N 3.13Å; S9-F11 PolarHBondContact O-N 3.31Å; S9-F11 PolarHBondContact OG-O 3.29Å; S9-S38 VanDerWaalsContact CB-OG 3.23Å; S9-S38 WeakPolarHBondContact CB-OG 3.27Å; S9-S38 PolarHBondContact OG-OG 3.08Å
10	R	85.5	Confident	80.3	Confident	196 Å²	196	121.3 Å²	121.3	74%	0.74	59%	0.594	S	S	*	*	S	Bend	trans	-61.2	-32.9	-175	-173.3	65.7	70.6	98.9	7	112.1
11	F	93	Very high	81.1	Confident	66 Å²	66	119.3 Å²	119.3	29%	0.289	58%	0.584	S	S	.	*	S	Bend	trans	-97.2	133.9	177.3	-58.5	-75.7	0	0	0	110.5	S9 T13 I16 S38 L41 L45	S9-F11 PolarHBondContact O-N 3.31Å; S9-F11 PolarHBondContact OG-O 3.29Å; F11-T13 PolarHBondContact O-N 2.96Å; F11-I16 HydrophobicContact CB-CD1 3.89Å; F11-I16 HydrophobicContact CB-CG1 4.31Å; F11-S38 WeakPolarHBondContact CB-OG 3.3Å; F11-S38 PolarHBondContact N-OG 3.21Å; F11-S38 PolarHBondContact O-OG 3.22Å; F11-L41 HydrophobicContact CD2-CB 3.97Å; F11-L41 HydrophobicContact CD2-CD1 4.44Å; F11-L41 HydrophobicContact CE2-CB 3.85Å; F11-L45 HydrophobicContact CE2-CD1 4.19Å; F11-L45 HydrophobicContact CZ-CD1 3.57Å
12	P	94.5	Very high	83.1	Confident	88 Å²	88	115 Å²	115	57%	0.571	57%	0.565	S	S	*	*			trans	-62.5	121.4	175.8	-23.6	33.5	0	0	0	112	T14 R15 I16	P12-T14 PolarHBondContact O-N 3Å; P12-T14 VanDerWaalsContact O-N 3.15Å; P12-R15 HydrophobicContact CB-CB 4.32Å; P12-R15 PolarHBondContact O-N 3.39Å; P12-I16 PolarHBondContact O-N 3.4Å
13	T	93.7	Very high	84.5	Confident	54 Å²	54	112.6 Å²	112.6	33%	0.331	55%	0.545	S	S	.	.	H	α-helix	trans	-51.6	-39.5	178.8	-45.4	0	0	0	0	112.7	F11 R15 I16 K17 P34 P35	F11-T13 PolarHBondContact O-N 2.96Å; T13-R15 VanDerWaalsContact C-N 3.34Å; T13-R15 PolarHBondContact O-N 3.45Å; T13-I16 PolarHBondContact O-N 3.08Å; T13-K17 PolarHBondContact O-N 3.47Å; T13-P34 HydrophobicContact CG2-CB 3.54Å; T13-P34 HydrophobicContact CG2-CG 4.43Å; T13-P35 HydrophobicContact CG2-CG 3.9Å
14	T	95.2	Very high	85.9	Confident	102 Å²	102	117.7 Å²	117.7	63%	0.626	55%	0.553	S	S	*	*	H	α-helix	trans	-63.8	-36.3	177.8	-49.2	0	0	0	0	112.7	P12 K18	P12-T14 PolarHBondContact O-N 3Å; P12-T14 VanDerWaalsContact O-N 3.15Å; T14-K18 WeakPolarHBondContact O-CG 3.39Å; T14-K18 PolarHBondContact O-N 2.94Å
15	R	97.3	Very high	87.6	Confident	156 Å²	156	117.1 Å²	117.1	59%	0.589	55%	0.553	S	S	*	*	H	α-helix	trans	-72.4	-41.9	178.9	-179.6	57.5	173.3	166	-1.3	110.9	P12 T13 K17 K18 I19	P12-R15 HydrophobicContact CB-CB 4.32Å; P12-R15 PolarHBondContact O-N 3.39Å; T13-R15 VanDerWaalsContact C-N 3.34Å; T13-R15 PolarHBondContact O-N 3.45Å; R15-K17 VanDerWaalsContact C-N 3.35Å; R15-K18 PolarHBondContact O-N 3.44Å; R15-I19 HydrophobicContact CG-CD1 4.16Å; R15-I19 WeakPolarHBondContact O-CG1 3.47Å; R15-I19 PolarHBondContact O-N 3.41Å; R15-I19 VanDerWaalsContact O-N 3.07Å
16	I	97	Very high	89.2	Confident	12 Å²	12	109.3 Å²	109.3	6%	0.062	53%	0.528	C	S	.	.	H	α-helix	trans	-58.4	-49.3	175.5	-61.6	168.7	0	0	0	109.9	F11 P12 T13 K18 I19 M20 P34 V37	F11-I16 HydrophobicContact CB-CD1 3.89Å; F11-I16 HydrophobicContact CB-CG1 4.31Å; P12-I16 PolarHBondContact O-N 3.4Å; T13-I16 PolarHBondContact O-N 3.08Å; I16-K18 VanDerWaalsContact C-N 3.29Å; I16-K18 PolarHBondContact O-N 3.02Å; I16-I19 PolarHBondContact O-N 3.22Å; I16-I19 VanDerWaalsContact O-N 3.08Å; I16-M20 HydrophobicContact CG2-CG 4.25Å; I16-M20 HydrophobicContact CG2-SD 3.89Å; I16-M20 WeakPolarHBondContact O-CG 3.41Å; I16-M20 PolarHBondContact O-N 3.07Å; I16-P34 HydrophobicContact CG2-CB 4.28Å; I16-V37 HydrophobicContact CG2-CB 4.07Å; I16-V37 HydrophobicContact CG2-CG1 3.76Å
17	K	96.6	Very high	90.5	Very high	90 Å²	90	101.1 Å²	101.1	39%	0.391	51%	0.513	S	S	.	.	H	α-helix	trans	-54.4	-44.8	176.9	-174.1	-177.7	176.6	-179.7	0	112.1	T13 R15 I19 M20 Q21 L29 P34	T13-K17 PolarHBondContact O-N 3.47Å; R15-K17 VanDerWaalsContact C-N 3.35Å; K17-I19 VanDerWaalsContact C-N 3.35Å; K17-I19 PolarHBondContact O-N 3.15Å; K17-M20 PolarHBondContact O-N 3.42Å; K17-Q21 WeakPolarHBondContact O-CG 3.36Å; K17-Q21 PolarHBondContact O-N 3.19Å; K17-L29 HydrophobicContact CG-CD1 4.1Å; K17-P34 HydrophobicContact CB-CG 4.44Å
18	K	97.2	Very high	92.2	Very high	130 Å²	130	102.5 Å²	102.5	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-62.5	-38.8	177.9	-74.4	-178.6	177.3	-170.2	0	112.9	T14 R15 I16 L22	T14-K18 WeakPolarHBondContact O-CG 3.39Å; T14-K18 PolarHBondContact O-N 2.94Å; R15-K18 PolarHBondContact O-N 3.44Å; I16-K18 VanDerWaalsContact C-N 3.29Å; I16-K18 PolarHBondContact O-N 3.02Å; K18-L22 PolarHBondContact O-N 2.91Å
19	I	97.6	Very high	93.8	Very high	89 Å²	89	100.2 Å²	100.2	46%	0.456	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-42.8	177.9	-66.4	167.4	0	0	0	110.5	R15 I16 K17 Q21 L22	R15-I19 HydrophobicContact CG-CD1 4.16Å; R15-I19 WeakPolarHBondContact O-CG1 3.47Å; R15-I19 PolarHBondContact O-N 3.41Å; R15-I19 VanDerWaalsContact O-N 3.07Å; I16-I19 PolarHBondContact O-N 3.22Å; I16-I19 VanDerWaalsContact O-N 3.08Å; K17-I19 VanDerWaalsContact C-N 3.35Å; K17-I19 PolarHBondContact O-N 3.15Å; I19-Q21 VanDerWaalsContact C-N 3.3Å; I19-Q21 PolarHBondContact O-N 3.25Å; I19-L22 HydrophobicContact CG2-CD1 4.46Å; I19-L22 VanDerWaalsContact O-CB 3.3Å; I19-L22 WeakPolarHBondContact O-CB 3.24Å; I19-L22 WeakPolarHBondContact O-CG 3.38Å; I19-L22 PolarHBondContact O-N 2.91Å; I19-L22 VanDerWaalsContact O-N 3.12Å
20	M	97.4	Very high	95.2	Very high	39 Å²	39	102.9 Å²	102.9	19%	0.192	51%	0.508	C	S	.	.	H	α-helix	trans	-59.9	-42.4	176.2	-67	176	72.2	0	0	111.4	I16 K17 L22 D23 I26 L29 V33 V37	I16-M20 HydrophobicContact CG2-CG 4.25Å; I16-M20 HydrophobicContact CG2-SD 3.89Å; I16-M20 WeakPolarHBondContact O-CG 3.41Å; I16-M20 PolarHBondContact O-N 3.07Å; K17-M20 PolarHBondContact O-N 3.42Å; M20-L22 PolarHBondContact O-N 3.36Å; M20-D23 PolarHBondContact O-N 3.24Å; M20-I26 WeakPolarHBondContact O-CD1 3.33Å; M20-L29 HydrophobicContact CB-CD1 3.88Å; M20-L29 HydrophobicContact CE-CD1 3.77Å; M20-L29 HydrophobicContact CE-CD2 3.65Å; M20-L29 HydrophobicContact CE-CG 4.38Å; M20-L29 HydrophobicContact SD-CD1 3.84Å; M20-V33 HydrophobicContact CE-CG1 3.77Å; M20-V37 HydrophobicContact SD-CG2 4.39Å
21	Q	96.7	Very high	95.6	Very high	81 Å²	81	97.9 Å²	97.9	38%	0.379	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	13.1	178.5	-63.9	-174.1	-52.3	0	0	113.9	K17 I19 I26 G27 L29	K17-Q21 WeakPolarHBondContact O-CG 3.36Å; K17-Q21 PolarHBondContact O-N 3.19Å; I19-Q21 VanDerWaalsContact C-N 3.3Å; I19-Q21 PolarHBondContact O-N 3.25Å; Q21-I26 HydrophobicContact CG-CG2 4.34Å; Q21-G27 PolarHBondContact NE2-O 3.05Å; Q21-L29 HydrophobicContact CG-CD1 4.17Å
22	L	97	Very high	95.7	Very high	140 Å²	140	99 Å²	99	73%	0.733	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.7	163.1	-66.7	175.8	0	0	0	111.3	K18 I19 M20	K18-L22 PolarHBondContact O-N 2.91Å; I19-L22 HydrophobicContact CG2-CD1 4.46Å; I19-L22 VanDerWaalsContact O-CB 3.3Å; I19-L22 WeakPolarHBondContact O-CB 3.24Å; I19-L22 WeakPolarHBondContact O-CG 3.38Å; I19-L22 PolarHBondContact O-N 2.91Å; I19-L22 VanDerWaalsContact O-N 3.12Å; M20-L22 PolarHBondContact O-N 3.36Å
23	D	96.8	Very high	95.8	Very high	78 Å²	78	97.2 Å²	97.2	42%	0.417	51%	0.509	S	S	.	.	S	Bend	trans	-81	122.1	171.4	-171.3	-16.9	0	0	0	109.5	M20 E25 I26	M20-D23 PolarHBondContact O-N 3.24Å; D23-E25 PolarHBondContact O-N 3.45Å; D23-E25 PolarHBondContact OD1-N 2.96Å; D23-E25 VanDerWaalsContact OD1-N 3.08Å; D23-I26 HydrophobicContact CB-CB 4.35Å; D23-I26 HydrophobicContact CB-CD1 3.83Å; D23-I26 HydrophobicContact CB-CG1 3.88Å; D23-I26 PolarHBondContact O-N 3.31Å; D23-I26 VanDerWaalsContact O-N 3.13Å
24	E	96.1	Very high	95.9	Very high	199 Å²	199	95 Å²	95	93%	0.93	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.6	-177.4	-63.4	-173.8	173.7	0	0	112.4	I26	E24-I26 PolarHBondContact O-N 3.47Å
25	E	96.8	Very high	95.9	Very high	181 Å²	181	92.3 Å²	92.3	85%	0.846	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.4	178	-57.9	-171.9	164.8	0	0	112.2	D23 G27	D23-E25 PolarHBondContact O-N 3.45Å; D23-E25 PolarHBondContact OD1-N 2.96Å; D23-E25 VanDerWaalsContact OD1-N 3.08Å; E25-G27 PolarHBondContact O-N 3.27Å
26	I	94.2	Very high	95.8	Very high	57 Å²	57	89.2 Å²	89.2	29%	0.292	48%	0.478	S	S	.	.			trans	-91.7	101.1	-177	-62	-174.9	0	0	0	111.1	M20 Q21 D23 E24 L29	M20-I26 WeakPolarHBondContact O-CD1 3.33Å; Q21-I26 HydrophobicContact CG-CG2 4.34Å; D23-I26 HydrophobicContact CB-CB 4.35Å; D23-I26 HydrophobicContact CB-CD1 3.83Å; D23-I26 HydrophobicContact CB-CG1 3.88Å; D23-I26 PolarHBondContact O-N 3.31Å; D23-I26 VanDerWaalsContact O-N 3.13Å; E24-I26 PolarHBondContact O-N 3.47Å; I26-L29 HydrophobicContact CG2-CD1 4.2Å; I26-L29 HydrophobicContact CG2-CD2 3.92Å; I26-L29 HydrophobicContact CG2-CG 4.08Å
27	G	92.6	Very high	95.8	Very high	52 Å²	52	90.8 Å²	90.8	54%	0.536	49%	0.488	S	S	.	.			trans	-77.5	-129.8	176	0	0	0	0	0	115.5	Q21 E25 L29	Q21-G27 PolarHBondContact NE2-O 3.05Å; E25-G27 PolarHBondContact O-N 3.27Å; G27-L29 PolarHBondContact O-N 3.5Å
28	K	94.2	Very high	95.7	Very high	214 Å²	214	86.5 Å²	86.5	93%	0.93	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-79.2	118.4	-178.1	-67.4	178.5	-176.6	172.9	0	110.9
29	L	94.5	Very high	95.7	Very high	43 Å²	43	87 Å²	87	23%	0.225	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-87.3	138.2	176.4	-67	166.4	0	0	0	112.2	K17 M20 Q21 I26 G27	K17-L29 HydrophobicContact CG-CD1 4.1Å; M20-L29 HydrophobicContact CB-CD1 3.88Å; M20-L29 HydrophobicContact CE-CD1 3.77Å; M20-L29 HydrophobicContact CE-CD2 3.65Å; M20-L29 HydrophobicContact CE-CG 4.38Å; M20-L29 HydrophobicContact SD-CD1 3.84Å; Q21-L29 HydrophobicContact CG-CD1 4.17Å; I26-L29 HydrophobicContact CG2-CD1 4.2Å; I26-L29 HydrophobicContact CG2-CD2 3.92Å; I26-L29 HydrophobicContact CG2-CG 4.08Å; G27-L29 PolarHBondContact O-N 3.5Å
30	T	95.8	Very high	95.6	Very high	93 Å²	93	86 Å²	86	57%	0.571	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-63.4	147.2	169.9	-53.8	0	0	0	0	110.7	T32 V33 P34	T30-T32 HydrophobicContact CG2-CG2 4.42Å; T30-T32 WeakPolarHBondContact CG2-OG1 3.27Å; T30-T32 PolarHBondContact O-N 2.97Å; T30-V33 PolarHBondContact O-N 3.13Å; T30-P34 VanDerWaalsContact O-CD 3.24Å; T30-P34 WeakPolarHBondContact O-CD 3.37Å
31	A	94	Very high	95.6	Very high	91 Å²	91	87.3 Å²	87.3	75%	0.752	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.9	-179.7	0	0	0	0	0	114.4	P35	A31-P35 VanDerWaalsContact O-CD 3.27Å; A31-P35 WeakPolarHBondContact O-CD 3.46Å
32	T	95.4	Very high	95.5	Very high	90 Å²	90	86.4 Å²	86.4	55%	0.552	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-29.4	-179.3	54.2	0	0	0	0	113.6	T30 P35 V36	T30-T32 HydrophobicContact CG2-CG2 4.42Å; T30-T32 WeakPolarHBondContact CG2-OG1 3.27Å; T30-T32 PolarHBondContact O-N 2.97Å; T32-P35 WeakPolarHBondContact O-CD 3.23Å; T32-V36 VanDerWaalsContact O-CG2 3.31Å; T32-V36 WeakPolarHBondContact O-CG2 3.35Å; T32-V36 PolarHBondContact O-N 2.95Å
33	V	96.5	Very high	95.4	Very high	51 Å²	51	83.3 Å²	83.3	31%	0.309	46%	0.455	S	S	.	.	H	α-helix	trans	-66	-51.2	-171	179.2	0	0	0	0	111.4	M20 T30 V36 V37	M20-V33 HydrophobicContact CE-CG1 3.77Å; T30-V33 PolarHBondContact O-N 3.13Å; V33-V36 PolarHBondContact O-N 2.91Å; V33-V36 VanDerWaalsContact O-N 3.13Å; V33-V37 HydrophobicContact CG1-CG2 4.16Å; V33-V37 WeakPolarHBondContact O-CG2 3.44Å; V33-V37 PolarHBondContact O-N 3.22Å
34	P	95.5	Very high	95.4	Very high	6 Å²	6	81.8 Å²	81.8	4%	0.039	45%	0.445	C	S	.	.	H	α-helix	trans	-66.1	-36.4	-174.8	-20.7	34.4	0	0	0	114.7	T13 I16 K17 T30 V37 S38	T13-P34 HydrophobicContact CG2-CB 3.54Å; T13-P34 HydrophobicContact CG2-CG 4.43Å; I16-P34 HydrophobicContact CG2-CB 4.28Å; K17-P34 HydrophobicContact CB-CG 4.44Å; T30-P34 VanDerWaalsContact O-CD 3.24Å; T30-P34 WeakPolarHBondContact O-CD 3.37Å; P34-V37 PolarHBondContact O-N 3.33Å; P34-S38 PolarHBondContact O-N 3.01Å
35	P	94.4	Very high	95.4	Very high	47 Å²	47	75.7 Å²	75.7	31%	0.305	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-38.8	169.8	-26.5	35.5	0	0	0	114.1	T13 A31 T32 S38 R39	T13-P35 HydrophobicContact CG2-CG 3.9Å; A31-P35 VanDerWaalsContact O-CD 3.27Å; A31-P35 WeakPolarHBondContact O-CD 3.46Å; T32-P35 WeakPolarHBondContact O-CD 3.23Å; P35-S38 WeakPolarHBondContact O-CB 3.31Å; P35-S38 PolarHBondContact O-N 3.08Å; P35-R39 PolarHBondContact O-N 3.17Å; P35-R39 VanDerWaalsContact O-N 3.17Å
36	V	95.9	Very high	95.4	Very high	91 Å²	91	72 Å²	72	55%	0.552	40%	0.401	S	S	*	.	H	α-helix	trans	-65.2	-48.3	176.8	171.8	0	0	0	0	110.4	T32 V33 S38 R39 S40	T32-V36 VanDerWaalsContact O-CG2 3.31Å; T32-V36 WeakPolarHBondContact O-CG2 3.35Å; T32-V36 PolarHBondContact O-N 2.95Å; V33-V36 PolarHBondContact O-N 2.91Å; V33-V36 VanDerWaalsContact O-N 3.13Å; V36-S38 PolarHBondContact O-N 3.27Å; V36-R39 WeakPolarHBondContact O-CB 3.23Å; V36-R39 PolarHBondContact O-N 3.4Å; V36-S40 PolarHBondContact O-N 3.26Å; V36-S40 PolarHBondContact O-OG 3.45Å
37	V	96.5	Very high	95.5	Very high	44 Å²	44	73.6 Å²	73.6	27%	0.267	41%	0.407	S	S	.	.	H	α-helix	trans	-57.2	-39.6	174.9	175.4	0	0	0	0	110.8	I16 M20 V33 P34 R39 S40 L41	I16-V37 HydrophobicContact CG2-CB 4.07Å; I16-V37 HydrophobicContact CG2-CG1 3.76Å; M20-V37 HydrophobicContact SD-CG2 4.39Å; V33-V37 HydrophobicContact CG1-CG2 4.16Å; V33-V37 WeakPolarHBondContact O-CG2 3.44Å; V33-V37 PolarHBondContact O-N 3.22Å; P34-V37 PolarHBondContact O-N 3.33Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 2.92Å; V37-S40 PolarHBondContact O-N 3.21Å; V37-L41 HydrophobicContact CG1-CD1 4.25Å; V37-L41 HydrophobicContact CG1-CG 4.33Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3.43Å
38	S	95.9	Very high	95.7	Very high	1 Å²	1	72 Å²	72	1%	0.007	39%	0.386	C	S	.	.	H	α-helix	trans	-58.8	-39.3	175.2	-172.6	0	0	0	0	113	S9 F11 P34 P35 V36 E42	S9-S38 VanDerWaalsContact CB-OG 3.23Å; S9-S38 WeakPolarHBondContact CB-OG 3.27Å; S9-S38 PolarHBondContact OG-OG 3.08Å; F11-S38 WeakPolarHBondContact CB-OG 3.3Å; F11-S38 PolarHBondContact N-OG 3.21Å; F11-S38 PolarHBondContact O-OG 3.22Å; P34-S38 PolarHBondContact O-N 3.01Å; P35-S38 WeakPolarHBondContact O-CB 3.31Å; P35-S38 PolarHBondContact O-N 3.08Å; V36-S38 PolarHBondContact O-N 3.27Å; S38-E42 PolarHBondContact O-N 3.17Å
39	R	95.5	Very high	95.9	Very high	141 Å²	141	65.9 Å²	65.9	53%	0.532	36%	0.364	S	S	.	.	H	α-helix	trans	-72.7	-39.7	178.1	-179	58.2	178.1	-167.2	1.2	110.8	P35 V36 V37 L41 E42 L43	P35-R39 PolarHBondContact O-N 3.17Å; P35-R39 VanDerWaalsContact O-N 3.17Å; V36-R39 WeakPolarHBondContact O-CB 3.23Å; V36-R39 PolarHBondContact O-N 3.4Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 2.92Å; R39-L41 VanDerWaalsContact C-N 3.31Å; R39-L41 PolarHBondContact O-N 2.88Å; R39-E42 WeakPolarHBondContact CD-OE2 3.49Å; R39-E42 IonicContact CZ-OE2 3.93Å; R39-E42 IonicContact NE-OE2 3.15Å; R39-E42 IonicContact NH1-OE1 2.75Å; R39-E42 IonicContact NH1-OE2 2.67Å; R39-E42 PolarHBondContact NH1-OE2 3.22Å; R39-E42 WeakPolarHBondContact O-CB 3.49Å; R39-E42 PolarHBondContact O-N 3.32Å; R39-L43 PolarHBondContact O-N 2.93Å; R39-L43 VanDerWaalsContact O-N 3.15Å
40	S	96.1	Very high	96	Very high	66 Å²	66	67.6 Å²	67.6	46%	0.462	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-39.4	174.7	-56.9	0	0	0	0	112.1	V36 V37 E42 L43 F44	V36-S40 PolarHBondContact O-N 3.26Å; V36-S40 PolarHBondContact O-OG 3.45Å; V37-S40 PolarHBondContact O-N 3.21Å; S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact O-N 2.97Å; S40-L43 PolarHBondContact O-N 3.36Å; S40-F44 VanDerWaalsContact O-CB 3.28Å; S40-F44 WeakPolarHBondContact O-CB 3.42Å; S40-F44 PolarHBondContact O-N 3.35Å
41	L	97.1	Very high	96	Very high	67 Å²	67	67.8 Å²	67.8	35%	0.351	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-35.8	175.7	-72.5	174.8	0	0	0	112.8	F11 V37 R39 L45	F11-L41 HydrophobicContact CD2-CB 3.97Å; F11-L41 HydrophobicContact CD2-CD1 4.44Å; F11-L41 HydrophobicContact CE2-CB 3.85Å; V37-L41 HydrophobicContact CG1-CD1 4.25Å; V37-L41 HydrophobicContact CG1-CG 4.33Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3.43Å; R39-L41 VanDerWaalsContact C-N 3.31Å; R39-L41 PolarHBondContact O-N 2.88Å; L41-L45 WeakPolarHBondContact O-CB 3.41Å; L41-L45 WeakPolarHBondContact O-CG 3.43Å; L41-L45 PolarHBondContact O-N 3.24Å
42	E	94.6	Very high	96.1	Very high	62 Å²	62	63.5 Å²	63.5	29%	0.29	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-50.2	174.1	-177.4	-179.7	-163.5	0	0	110.8	S38 R39 S40 F44 L45 E46	S38-E42 PolarHBondContact O-N 3.17Å; R39-E42 WeakPolarHBondContact CD-OE2 3.49Å; R39-E42 IonicContact CZ-OE2 3.93Å; R39-E42 IonicContact NE-OE2 3.15Å; R39-E42 IonicContact NH1-OE1 2.75Å; R39-E42 IonicContact NH1-OE2 2.67Å; R39-E42 PolarHBondContact NH1-OE2 3.22Å; R39-E42 WeakPolarHBondContact O-CB 3.49Å; R39-E42 PolarHBondContact O-N 3.32Å; S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact O-N 2.97Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 2.86Å; E42-L45 PolarHBondContact O-N 3.11Å; E42-E46 WeakPolarHBondContact O-CB 3.35Å; E42-E46 PolarHBondContact O-N 3.23Å
43	L	95.6	Very high	96.1	Very high	75 Å²	75	66.4 Å²	66.4	39%	0.393	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-37.9	178.1	-64.3	176.2	0	0	0	112.3	R39 S40 E46 Q47	R39-L43 PolarHBondContact O-N 2.93Å; R39-L43 VanDerWaalsContact O-N 3.15Å; S40-L43 PolarHBondContact O-N 3.36Å; L43-E46 PolarHBondContact O-N 3.09Å; L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.23Å; L43-Q47 PolarHBondContact O-N 3.09Å
44	F	96.5	Very high	96	Very high	47 Å²	47	68.7 Å²	68.7	21%	0.206	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-47.5	176.8	163.8	-106	0	0	0	111.6	S40 E42 E46 Q47 L48 F79 F81 L82	S40-F44 VanDerWaalsContact O-CB 3.28Å; S40-F44 WeakPolarHBondContact O-CB 3.42Å; S40-F44 PolarHBondContact O-N 3.35Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 2.86Å; F44-E46 VanDerWaalsContact C-N 3.34Å; F44-E46 PolarHBondContact O-N 3.02Å; F44-Q47 PolarHBondContact O-N 3.4Å; F44-L48 HydrophobicContact CE1-CD2 4.46Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 WeakPolarHBondContact O-CB 3.38Å; F44-L48 PolarHBondContact O-N 3.19Å; F44-F79 HydrophobicContact CD2-CE1 4.02Å; F44-F79 AromaticContact CE2-CD1 3.84Å; F44-F79 HydrophobicContact CE2-CD1 3.84Å; F44-F79 AromaticContact CE2-CE1 3.69Å; F44-F79 HydrophobicContact CE2-CE1 3.69Å; F44-F81 HydrophobicContact CD2-CZ 4.43Å; F44-F81 HydrophobicContact CE2-CE1 4.32Å; F44-F81 AromaticContact CE2-CZ 3.7Å; F44-F81 HydrophobicContact CE2-CZ 3.7Å; F44-F81 AromaticContact CZ-CZ 3.95Å; F44-F81 HydrophobicContact CZ-CZ 3.95Å; F44-L82 HydrophobicContact CE2-CD1 4.23Å; F44-L82 HydrophobicContact CZ-CD1 3.76Å
45	L	96.7	Very high	95.9	Very high	70 Å²	70	70.2 Å²	70.2	37%	0.366	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-37.5	178.4	-72.4	173.4	0	0	0	112	F11 L41 E42 L48 L49	F11-L45 HydrophobicContact CE2-CD1 4.19Å; F11-L45 HydrophobicContact CZ-CD1 3.57Å; L41-L45 WeakPolarHBondContact O-CB 3.41Å; L41-L45 WeakPolarHBondContact O-CG 3.43Å; L41-L45 PolarHBondContact O-N 3.24Å; E42-L45 PolarHBondContact O-N 3.11Å; L45-L48 PolarHBondContact O-N 3Å; L45-L49 VanDerWaalsContact O-CB 3.29Å; L45-L49 WeakPolarHBondContact O-CB 3.09Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 2.92Å
46	E	96.1	Very high	95.9	Very high	105 Å²	105	68 Å²	68	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-49.3	172.7	-177.8	178	171.1	0	0	111	E42 L43 F44 L48 L49 N50	E42-E46 WeakPolarHBondContact O-CB 3.35Å; E42-E46 PolarHBondContact O-N 3.23Å; L43-E46 PolarHBondContact O-N 3.09Å; F44-E46 VanDerWaalsContact C-N 3.34Å; F44-E46 PolarHBondContact O-N 3.02Å; E46-L48 PolarHBondContact O-N 3.02Å; E46-L49 PolarHBondContact O-N 3.3Å; E46-N50 VanDerWaalsContact O-CB 3.27Å; E46-N50 WeakPolarHBondContact O-CB 3.4Å; E46-N50 PolarHBondContact O-N 3.49Å; E46-N50 PolarHBondContact O-ND2 2.93Å
47	Q	96.7	Very high	95.8	Very high	89 Å²	89	66.1 Å²	66.1	42%	0.416	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-46.2	177.7	-73.1	176.6	-1.8	0	0	112.5	L43 F44 N50 R51 F79	L43-Q47 VanDerWaalsContact O-CG 3.3Å; L43-Q47 WeakPolarHBondContact O-CG 3.23Å; L43-Q47 PolarHBondContact O-N 3.09Å; F44-Q47 PolarHBondContact O-N 3.4Å; Q47-N50 PolarHBondContact O-N 3.46Å; Q47-R51 WeakPolarHBondContact O-CG 3.41Å; Q47-R51 PolarHBondContact O-N 3.33Å; Q47-R51 VanDerWaalsContact O-N 3.15Å; Q47-F79 HydrophobicContact CB-CZ 4.39Å
48	L	97	Very high	95.6	Very high	19 Å²	19	68.5 Å²	68.5	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-45.9	179.4	179.1	62.4	0	0	0	111.5	F44 L45 E46 A52 V72 I73 F79	F44-L48 HydrophobicContact CE1-CD2 4.46Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 WeakPolarHBondContact O-CB 3.38Å; F44-L48 PolarHBondContact O-N 3.19Å; L45-L48 PolarHBondContact O-N 3Å; E46-L48 PolarHBondContact O-N 3.02Å; L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 2.83Å; L48-V72 HydrophobicContact CD1-CG1 4.18Å; L48-I73 HydrophobicContact CD1-CG1 4.17Å; L48-F79 HydrophobicContact CB-CE2 4.42Å; L48-F79 HydrophobicContact CB-CZ 4.19Å; L48-F79 HydrophobicContact CD1-CD2 3.89Å; L48-F79 HydrophobicContact CD1-CE2 3.73Å; L48-F79 HydrophobicContact CD1-CZ 4.26Å
49	L	96.7	Very high	95.3	Very high	86 Å²	86	71.5 Å²	71.5	45%	0.45	35%	0.348	S	S	.	.	H	α-helix	trans	-72	-35.6	-178.8	-69.6	175.7	0	0	0	112.5	L45 E46 A52 Y53 I64	L45-L49 VanDerWaalsContact O-CB 3.29Å; L45-L49 WeakPolarHBondContact O-CB 3.09Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 2.92Å; E46-L49 PolarHBondContact O-N 3.3Å; L49-A52 PolarHBondContact O-N 3.01Å; L49-Y53 VanDerWaalsContact O-CB 3.22Å; L49-Y53 WeakPolarHBondContact O-CB 3.48Å; L49-Y53 PolarHBondContact O-N 2.77Å; L49-I64 HydrophobicContact CD2-CD1 4.42Å
50	N	96.9	Very high	95	Very high	79 Å²	79	70.1 Å²	70.1	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-46.2	175.2	-73.3	-15.5	0	0	0	110.9	E46 Q47 Y53 E54	E46-N50 VanDerWaalsContact O-CB 3.27Å; E46-N50 WeakPolarHBondContact O-CB 3.4Å; E46-N50 PolarHBondContact O-N 3.49Å; E46-N50 PolarHBondContact O-ND2 2.93Å; Q47-N50 PolarHBondContact O-N 3.46Å; N50-Y53 PolarHBondContact O-N 3.15Å; N50-E54 WeakPolarHBondContact O-CG 3.46Å; N50-E54 PolarHBondContact O-N 3.38Å
51	R	96	Very high	94.7	Very high	97 Å²	97	69.4 Å²	69.4	37%	0.366	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-43.6	175	-69	-56.6	-158.3	-164.1	1.1	112.7	Q47 Y53 E54 F55 V72 E76	Q47-R51 WeakPolarHBondContact O-CG 3.41Å; Q47-R51 PolarHBondContact O-N 3.33Å; Q47-R51 VanDerWaalsContact O-N 3.15Å; R51-Y53 VanDerWaalsContact C-N 3.29Å; R51-Y53 PolarHBondContact O-N 3.22Å; R51-E54 WeakPolarHBondContact CD-OE2 3.29Å; R51-E54 IonicContact CZ-OE2 3.8Å; R51-E54 IonicContact NH1-OE2 2.95Å; R51-E54 PolarHBondContact NH1-OE2 3.01Å; R51-E54 PolarHBondContact O-N 3.01Å; R51-F55 PolarHBondContact O-N 3.46Å; R51-F55 VanDerWaalsContact O-N 3.09Å; R51-V72 HydrophobicContact CB-CG1 3.57Å; R51-V72 HydrophobicContact CB-CG2 4.36Å; R51-V72 HydrophobicContact CG-CG1 4.49Å; R51-E76 IonicContact CZ-OE2 3.28Å; R51-E76 IonicContact NE-OE2 3.94Å; R51-E76 PolarHBondContact NE-OE2 3.42Å; R51-E76 IonicContact NH2-OE2 3.68Å
52	A	95.9	Very high	94.4	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.8	-38.9	175.3	0	0	0	0	0	111.8	L48 L49 T56 I64 I68 I69 V72	L48-A52 WeakPolarHBondContact O-CB 3.48Å; L48-A52 PolarHBondContact O-N 2.83Å; L49-A52 PolarHBondContact O-N 3.01Å; A52-T56 WeakPolarHBondContact O-CB 3.35Å; A52-T56 PolarHBondContact O-N 3.33Å; A52-T56 PolarHBondContact O-OG1 3.28Å; A52-I64 HydrophobicContact CB-CD1 4.37Å; A52-I64 HydrophobicContact CB-CG2 3.91Å; A52-I68 HydrophobicContact CB-CG2 4.09Å; A52-I68 WeakPolarHBondContact O-CG2 3.5Å; A52-I69 HydrophobicContact CB-CG1 4.41Å; A52-V72 HydrophobicContact CB-CG2 4.43Å
53	Y	96.2	Very high	94.4	Very high	152 Å²	152	78 Å²	78	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-67.9	-46.2	176.7	179.4	-99.3	0	0	0	112.2	L49 N50 R51 F55 T56 A57	L49-Y53 VanDerWaalsContact O-CB 3.22Å; L49-Y53 WeakPolarHBondContact O-CB 3.48Å; L49-Y53 PolarHBondContact O-N 2.77Å; N50-Y53 PolarHBondContact O-N 3.15Å; R51-Y53 VanDerWaalsContact C-N 3.29Å; R51-Y53 PolarHBondContact O-N 3.22Å; Y53-F55 VanDerWaalsContact C-N 3.31Å; Y53-F55 PolarHBondContact O-N 2.67Å; Y53-T56 WeakPolarHBondContact O-CB 3.4Å; Y53-T56 PolarHBondContact O-N 3.35Å; Y53-A57 PolarHBondContact O-N 2.99Å
54	E	95.2	Very high	94.3	Very high	99 Å²	99	77.2 Å²	77.2	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-52.1	-49.8	173.8	-75.5	168.2	-170.9	0	0	110.6	N50 R51 T56 A57 T58	N50-E54 WeakPolarHBondContact O-CG 3.46Å; N50-E54 PolarHBondContact O-N 3.38Å; R51-E54 WeakPolarHBondContact CD-OE2 3.29Å; R51-E54 IonicContact CZ-OE2 3.8Å; R51-E54 IonicContact NH1-OE2 2.95Å; R51-E54 PolarHBondContact NH1-OE2 3.01Å; R51-E54 PolarHBondContact O-N 3.01Å; E54-T56 PolarHBondContact O-N 2.95Å; E54-A57 WeakPolarHBondContact O-CB 3.17Å; E54-A57 PolarHBondContact O-N 2.99Å; E54-T58 WeakPolarHBondContact O-CG2 3.28Å; E54-T58 PolarHBondContact O-N 3.34Å
55	F	93.3	Very high	94.2	Very high	37 Å²	37	77 Å²	77	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-67.7	-33.7	177	-173.3	-106.9	0	0	0	113.4	R51 Y53 A57 T58 R59 I68 Y71 V72 V92	R51-F55 PolarHBondContact O-N 3.46Å; R51-F55 VanDerWaalsContact O-N 3.09Å; Y53-F55 VanDerWaalsContact C-N 3.31Å; Y53-F55 PolarHBondContact O-N 2.67Å; F55-A57 VanDerWaalsContact C-N 3.29Å; F55-A57 PolarHBondContact O-N 3.4Å; F55-T58 PolarHBondContact O-N 3.35Å; F55-T58 PolarHBondContact O-OG1 3.29Å; F55-R59 HydrophobicContact CE1-CG 4.34Å; F55-R59 HydrophobicContact CZ-CG 4.47Å; F55-R59 WeakPolarHBondContact O-CG 3.08Å; F55-R59 PolarHBondContact O-N 3.47Å; F55-I68 HydrophobicContact CB-CG2 4.39Å; F55-I68 HydrophobicContact CD1-CB 4.17Å; F55-I68 HydrophobicContact CD1-CG1 3.94Å; F55-I68 HydrophobicContact CD1-CG2 3.72Å; F55-I68 HydrophobicContact CE1-CG1 4.13Å; F55-Y71 AromaticContact CD1-CD1 3.91Å; F55-Y71 HydrophobicContact CD1-CD1 3.91Å; F55-Y71 HydrophobicContact CD1-CE1 4.5Å; F55-Y71 HydrophobicContact CD1-CG 4.45Å; F55-Y71 AromaticContact CD2-CD1 3.7Å; F55-Y71 HydrophobicContact CD2-CD1 3.7Å; F55-Y71 AromaticContact CD2-CE1 3.46Å; F55-Y71 HydrophobicContact CD2-CE1 3.46Å; F55-Y71 VanDerWaalsContact CD2-CE1 3.46Å; F55-Y71 AromaticContact CE1-CD1 3.7Å; F55-Y71 HydrophobicContact CE1-CD1 3.7Å; F55-Y71 HydrophobicContact CE1-CE1 4.27Å; F55-Y71 AromaticContact CE1-CG 3.88Å; F55-Y71 HydrophobicContact CE1-CG 3.88Å; F55-Y71 AromaticContact CE2-CD1 3.51Å; F55-Y71 HydrophobicContact CE2-CD1 3.51Å; F55-Y71 AromaticContact CE2-CE1 3.18Å; F55-Y71 HydrophobicContact CE2-CE1 3.18Å; F55-Y71 HydrophobicContact CE2-CE2 4.26Å; F55-Y71 HydrophobicContact CE2-CG 4.19Å; F55-Y71 AromaticContact CE2-CZ 3.62Å; F55-Y71 AromaticContact CG-CD1 3.88Å; F55-Y71 HydrophobicContact CG-CD1 3.88Å; F55-Y71 HydrophobicContact CG-CE1 4.12Å; F55-Y71 AromaticContact CZ-CD1 3.48Å; F55-Y71 HydrophobicContact CZ-CD1 3.48Å; F55-Y71 VanDerWaalsContact CZ-CD1 3.48Å; F55-Y71 HydrophobicContact CZ-CD2 4.05Å; F55-Y71 AromaticContact CZ-CE1 3.62Å; F55-Y71 HydrophobicContact CZ-CE1 3.62Å; F55-Y71 HydrophobicContact CZ-CE2 4.15Å; F55-Y71 AromaticContact CZ-CG 3.72Å; F55-Y71 HydrophobicContact CZ-CG 3.72Å; F55-Y71 AromaticContact CZ-CZ 3.97Å; F55-V72 HydrophobicContact CB-CG2 4.33Å; F55-V92 HydrophobicContact CE1-CG2 4.46Å
56	T	94.3	Very high	94.1	Very high	2 Å²	2	77.7 Å²	77.7	1%	0.012	40%	0.397	C	S	.	.	H	α-helix	trans	-64.3	-38.1	174.7	-57.7	0	0	0	0	111.1	A52 Y53 E54 R59 N60 S61 T63 I68	A52-T56 WeakPolarHBondContact O-CB 3.35Å; A52-T56 PolarHBondContact O-N 3.33Å; A52-T56 PolarHBondContact O-OG1 3.28Å; Y53-T56 WeakPolarHBondContact O-CB 3.4Å; Y53-T56 PolarHBondContact O-N 3.35Å; E54-T56 PolarHBondContact O-N 2.95Å; T56-R59 WeakPolarHBondContact O-CB 3.46Å; T56-R59 PolarHBondContact O-N 3.2Å; T56-N60 PolarHBondContact O-N 3.01Å; T56-S61 WeakPolarHBondContact CG2-O 3.35Å; T56-S61 PolarHBondContact O-N 3.42Å; T56-T63 VanDerWaalsContact CG2-O 3.3Å; T56-T63 WeakPolarHBondContact CG2-O 3.41Å; T56-I68 HydrophobicContact CG2-CD1 4.02Å; T56-I68 VanDerWaalsContact OG1-CD1 3.29Å; T56-I68 WeakPolarHBondContact OG1-CD1 3.38Å
57	A	93.5	Very high	94	Very high	50 Å²	50	73 Å²	73	41%	0.413	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-40.4	179.2	0	0	0	0	0	112.2	Y53 E54 F55 R59 N60	Y53-A57 PolarHBondContact O-N 2.99Å; E54-A57 WeakPolarHBondContact O-CB 3.17Å; E54-A57 PolarHBondContact O-N 2.99Å; F55-A57 VanDerWaalsContact C-N 3.29Å; F55-A57 PolarHBondContact O-N 3.4Å; A57-R59 PolarHBondContact O-N 3.05Å; A57-N60 PolarHBondContact O-N 3.24Å
58	T	92.1	Very high	93.9	Very high	95 Å²	95	69 Å²	69	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-62.6	-27.1	175.3	67.4	0	0	0	0	112.5	E54 F55 N60	E54-T58 WeakPolarHBondContact O-CG2 3.28Å; E54-T58 PolarHBondContact O-N 3.34Å; F55-T58 PolarHBondContact O-N 3.35Å; F55-T58 PolarHBondContact O-OG1 3.29Å; T58-N60 VanDerWaalsContact C-N 3.28Å; T58-N60 PolarHBondContact O-N 3.46Å
59	R	89.3	Confident	93.9	Very high	63 Å²	63	70.4 Å²	70.4	24%	0.238	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.2	175.8	-63.3	-66.5	-59.5	-140.5	-15.7	113.7	F55 T56 A57 S61 K93 N95	F55-R59 HydrophobicContact CE1-CG 4.34Å; F55-R59 HydrophobicContact CZ-CG 4.47Å; F55-R59 WeakPolarHBondContact O-CG 3.08Å; F55-R59 PolarHBondContact O-N 3.47Å; T56-R59 WeakPolarHBondContact O-CB 3.46Å; T56-R59 PolarHBondContact O-N 3.2Å; A57-R59 PolarHBondContact O-N 3.05Å; R59-S61 PolarHBondContact O-N 3.36Å; R59-K93 PolarHBondContact NH2-O 2.79Å; R59-N95 VanDerWaalsContact CZ-CB 3.4Å; R59-N95 VanDerWaalsContact CZ-N 3.33Å; R59-N95 VanDerWaalsContact NH2-CA 3.35Å
60	N	89.3	Confident	93.9	Very high	113 Å²	113	67.2 Å²	67.2	60%	0.604	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27	-170.9	-56.9	103.4	0	0	0	113	T56 A57 T58 R97	T56-N60 PolarHBondContact O-N 3.01Å; A57-N60 PolarHBondContact O-N 3.24Å; T58-N60 VanDerWaalsContact C-N 3.28Å; T58-N60 PolarHBondContact O-N 3.46Å; N60-R97 VanDerWaalsContact OD1-CZ 3.28Å; N60-R97 PolarHBondContact OD1-NH1 3.13Å; N60-R97 PolarHBondContact OD1-NH2 2.96Å
61	S	89.7	Confident	93.8	Very high	50 Å²	50	67.6 Å²	67.6	35%	0.35	34%	0.344	S	S	.	.			trans	-90.5	152.9	174.4	176.7	0	0	0	0	109.6	T56 R59 T63	T56-S61 WeakPolarHBondContact CG2-O 3.35Å; T56-S61 PolarHBondContact O-N 3.42Å; R59-S61 PolarHBondContact O-N 3.36Å; S61-T63 PolarHBondContact OG-N 2.83Å; S61-T63 PolarHBondContact OG-O 3.11Å
62	K	91.7	Very high	93.8	Very high	210 Å²	210	63.5 Å²	63.5	91%	0.913	33%	0.33	S	S	*	.	S	Bend	trans	-103.6	-0.8	169.9	-62.4	-179.2	-178.8	178.3	0	112.3
63	T	93.5	Very high	93.8	Very high	99 Å²	99	63.7 Å²	63.7	61%	0.607	33%	0.331	S	S	*	.	S	Bend	trans	-122.1	124	-173.4	-56.3	0	0	0	0	110	T56 S61 S65	T56-T63 VanDerWaalsContact CG2-O 3.3Å; T56-T63 WeakPolarHBondContact CG2-O 3.41Å; S61-T63 PolarHBondContact OG-N 2.83Å; S61-T63 PolarHBondContact OG-O 3.11Å; T63-S65 PolarHBondContact O-N 3.43Å
64	I	94.7	Very high	93.8	Very high	60 Å²	60	60 Å²	60	31%	0.308	32%	0.319	S	S	.	.			trans	-77.3	105.4	170	-59.4	173.2	0	0	0	107.4	L49 A52 I68 I69	L49-I64 HydrophobicContact CD2-CD1 4.42Å; A52-I64 HydrophobicContact CB-CD1 4.37Å; A52-I64 HydrophobicContact CB-CG2 3.91Å; I64-I68 HydrophobicContact CG2-CG2 4.34Å; I64-I69 HydrophobicContact CG2-CD1 4.02Å; I64-I69 HydrophobicContact CG2-CG1 3.75Å
65	S	93.6	Very high	93.7	Very high	43 Å²	43	60.7 Å²	60.7	30%	0.301	32%	0.322	S	S	.	.			trans	-87.4	159.3	175.9	68.5	0	0	0	0	111.3	T63 G67 I68 I69	T63-S65 PolarHBondContact O-N 3.43Å; S65-G67 PolarHBondContact O-N 3.15Å; S65-I68 WeakPolarHBondContact O-CB 3.33Å; S65-I68 PolarHBondContact O-N 2.93Å; S65-I69 PolarHBondContact O-N 3Å
66	P	94.7	Very high	93.8	Very high	83 Å²	83	60.3 Å²	60.3	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-55.4	-36.6	176.5	-27.5	35.7	0	0	0	113.6	I68 I69 K70 I89	P66-I68 VanDerWaalsContact C-N 3.3Å; P66-I68 PolarHBondContact O-N 3.42Å; P66-I69 PolarHBondContact O-N 3.49Å; P66-K70 PolarHBondContact O-N 2.97Å; P66-I89 HydrophobicContact CB-CD1 4.44Å; P66-I89 HydrophobicContact CB-CG2 3.79Å
67	G	94.5	Very high	93.9	Very high	7 Å²	7	64.6 Å²	64.6	7%	0.072	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-36.4	176.3	0	0	0	0	0	112.6	S65 I69 K70 Y71 V92	S65-G67 PolarHBondContact O-N 3.15Å; G67-I69 VanDerWaalsContact C-N 3.3Å; G67-I69 PolarHBondContact O-N 3.15Å; G67-K70 WeakPolarHBondContact O-CB 3.25Å; G67-K70 PolarHBondContact O-N 3.28Å; G67-Y71 PolarHBondContact O-N 3.47Å; G67-V92 WeakPolarHBondContact O-CG2 3.49Å
68	I	94.7	Very high	94	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-41.5	176.7	-71.2	172.8	0	0	0	110.1	A52 F55 T56 I64 S65 P66 Y71 V72 V92	A52-I68 HydrophobicContact CB-CG2 4.09Å; A52-I68 WeakPolarHBondContact O-CG2 3.5Å; F55-I68 HydrophobicContact CB-CG2 4.39Å; F55-I68 HydrophobicContact CD1-CB 4.17Å; F55-I68 HydrophobicContact CD1-CG1 3.94Å; F55-I68 HydrophobicContact CD1-CG2 3.72Å; F55-I68 HydrophobicContact CE1-CG1 4.13Å; T56-I68 HydrophobicContact CG2-CD1 4.02Å; T56-I68 VanDerWaalsContact OG1-CD1 3.29Å; T56-I68 WeakPolarHBondContact OG1-CD1 3.38Å; I64-I68 HydrophobicContact CG2-CG2 4.34Å; S65-I68 WeakPolarHBondContact O-CB 3.33Å; S65-I68 PolarHBondContact O-N 2.93Å; P66-I68 VanDerWaalsContact C-N 3.3Å; P66-I68 PolarHBondContact O-N 3.42Å; I68-Y71 PolarHBondContact O-N 3.08Å; I68-V72 WeakPolarHBondContact O-CG2 3.44Å; I68-V72 PolarHBondContact O-N 3.47Å; I68-V92 HydrophobicContact CB-CG2 4.49Å; I68-V92 HydrophobicContact CG1-CG2 3.91Å
69	I	96.2	Very high	94.2	Very high	49 Å²	49	63.9 Å²	63.9	25%	0.251	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-42.6	177.1	-60.1	172.8	0	0	0	110.4	A52 I64 S65 P66 G67 V72 I73	A52-I69 HydrophobicContact CB-CG1 4.41Å; I64-I69 HydrophobicContact CG2-CD1 4.02Å; I64-I69 HydrophobicContact CG2-CG1 3.75Å; S65-I69 PolarHBondContact O-N 3Å; P66-I69 PolarHBondContact O-N 3.49Å; G67-I69 VanDerWaalsContact C-N 3.3Å; G67-I69 PolarHBondContact O-N 3.15Å; I69-V72 PolarHBondContact O-N 3.49Å; I69-I73 HydrophobicContact CG2-CD1 3.73Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 WeakPolarHBondContact O-CG1 3.29Å; I69-I73 PolarHBondContact O-N 2.75Å
70	K	96.5	Very high	94.5	Very high	18 Å²	18	64.2 Å²	64.2	8%	0.078	33%	0.334	C	S	.	.	H	α-helix	trans	-56.5	-50.6	173.8	-179.1	-175.7	-176.9	-174	0	111.4	P66 G67 V72 I73 E74 V86 I89 D91	P66-K70 PolarHBondContact O-N 2.97Å; G67-K70 WeakPolarHBondContact O-CB 3.25Å; G67-K70 PolarHBondContact O-N 3.28Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 2.99Å; K70-I73 PolarHBondContact O-N 2.8Å; K70-I73 VanDerWaalsContact O-N 3.13Å; K70-E74 WeakPolarHBondContact CE-OE1 3.3Å; K70-E74 WeakPolarHBondContact O-CG 3.27Å; K70-E74 PolarHBondContact O-N 2.79Å; K70-V86 HydrophobicContact CB-CB 4.26Å; K70-V86 HydrophobicContact CG-CB 4.06Å; K70-V86 HydrophobicContact CG-CG2 3.96Å; K70-I89 HydrophobicContact CB-CB 4.43Å; K70-I89 HydrophobicContact CB-CG2 4.29Å; K70-I89 HydrophobicContact CD-CB 4.11Å; K70-I89 HydrophobicContact CD-CG2 4.44Å; K70-I89 VanDerWaalsContact CD-O 3.23Å; K70-I89 WeakPolarHBondContact CD-O 3.32Å; K70-I89 PolarHBondContact NZ-O 3.37Å; K70-D91 WeakPolarHBondContact CD-OD1 3.49Å; K70-D91 WeakPolarHBondContact CE-OD1 3.46Å; K70-D91 IonicContact NZ-OD1 3.77Å; K70-D91 PolarHBondContact NZ-OD1 2.95Å; K70-D91 IonicContact NZ-OD2 3.92Å
71	Y	94.9	Very high	94.9	Very high	88 Å²	88	64.8 Å²	64.8	35%	0.345	33%	0.331	S	S	.	.	H	α-helix	trans	-55.5	-47.7	178.6	178.9	-90.7	0	0	0	111.8	F55 G67 I68 I73 E74 H75	F55-Y71 AromaticContact CD1-CD1 3.91Å; F55-Y71 HydrophobicContact CD1-CD1 3.91Å; F55-Y71 HydrophobicContact CD1-CE1 4.5Å; F55-Y71 HydrophobicContact CD1-CG 4.45Å; F55-Y71 AromaticContact CD2-CD1 3.7Å; F55-Y71 HydrophobicContact CD2-CD1 3.7Å; F55-Y71 AromaticContact CD2-CE1 3.46Å; F55-Y71 HydrophobicContact CD2-CE1 3.46Å; F55-Y71 VanDerWaalsContact CD2-CE1 3.46Å; F55-Y71 AromaticContact CE1-CD1 3.7Å; F55-Y71 HydrophobicContact CE1-CD1 3.7Å; F55-Y71 HydrophobicContact CE1-CE1 4.27Å; F55-Y71 AromaticContact CE1-CG 3.88Å; F55-Y71 HydrophobicContact CE1-CG 3.88Å; F55-Y71 AromaticContact CE2-CD1 3.51Å; F55-Y71 HydrophobicContact CE2-CD1 3.51Å; F55-Y71 AromaticContact CE2-CE1 3.18Å; F55-Y71 HydrophobicContact CE2-CE1 3.18Å; F55-Y71 HydrophobicContact CE2-CE2 4.26Å; F55-Y71 HydrophobicContact CE2-CG 4.19Å; F55-Y71 AromaticContact CE2-CZ 3.62Å; F55-Y71 AromaticContact CG-CD1 3.88Å; F55-Y71 HydrophobicContact CG-CD1 3.88Å; F55-Y71 HydrophobicContact CG-CE1 4.12Å; F55-Y71 AromaticContact CZ-CD1 3.48Å; F55-Y71 HydrophobicContact CZ-CD1 3.48Å; F55-Y71 VanDerWaalsContact CZ-CD1 3.48Å; F55-Y71 HydrophobicContact CZ-CD2 4.05Å; F55-Y71 AromaticContact CZ-CE1 3.62Å; F55-Y71 HydrophobicContact CZ-CE1 3.62Å; F55-Y71 HydrophobicContact CZ-CE2 4.15Å; F55-Y71 AromaticContact CZ-CG 3.72Å; F55-Y71 HydrophobicContact CZ-CG 3.72Å; F55-Y71 AromaticContact CZ-CZ 3.97Å; G67-Y71 PolarHBondContact O-N 3.47Å; I68-Y71 PolarHBondContact O-N 3.08Å; Y71-I73 VanDerWaalsContact C-N 3.34Å; Y71-I73 PolarHBondContact O-N 2.63Å; Y71-E74 PolarHBondContact O-N 3.24Å; Y71-H75 AromaticContact CD2-CE1 3.39Å; Y71-H75 WeakPolarHBondContact CD2-CE1 3.22Å; Y71-H75 AromaticContact CD2-ND1 3.67Å; Y71-H75 AromaticContact CE1-ND1 3.98Å; Y71-H75 AromaticContact CE2-CE1 3.06Å; Y71-H75 WeakPolarHBondContact CE2-CE1 3.3Å; Y71-H75 AromaticContact CE2-ND1 3.57Å; Y71-H75 AromaticContact CE2-NE2 3.37Å; Y71-H75 WeakPolarHBondContact CE2-NE2 3.29Å; Y71-H75 AromaticContact CG-ND1 3.92Å; Y71-H75 AromaticContact CZ-CD2 3.77Å; Y71-H75 AromaticContact CZ-CE1 3.54Å; Y71-H75 AromaticContact CZ-CG 3.89Å; Y71-H75 AromaticContact CZ-ND1 3.72Å; Y71-H75 AromaticContact CZ-NE2 3.54Å; Y71-H75 PolarHBondContact O-N 2.9Å; Y71-H75 VanDerWaalsContact O-N 3.11Å; Y71-H75 PolarHBondContact O-ND1 3.36Å
72	V	95.8	Very high	95.2	Very high	10 Å²	10	63.4 Å²	63.4	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-41	178.1	168.4	0	0	0	0	112.2	L48 R51 A52 F55 I68 I69 K70 E74 H75 E76 F79	L48-V72 HydrophobicContact CD1-CG1 4.18Å; R51-V72 HydrophobicContact CB-CG1 3.57Å; R51-V72 HydrophobicContact CB-CG2 4.36Å; R51-V72 HydrophobicContact CG-CG1 4.49Å; A52-V72 HydrophobicContact CB-CG2 4.43Å; F55-V72 HydrophobicContact CB-CG2 4.33Å; I68-V72 WeakPolarHBondContact O-CG2 3.44Å; I68-V72 PolarHBondContact O-N 3.47Å; I69-V72 PolarHBondContact O-N 3.49Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 2.99Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 3.44Å; V72-H75 PolarHBondContact O-N 3.01Å; V72-E76 VanDerWaalsContact O-CB 3.29Å; V72-E76 WeakPolarHBondContact O-CB 3.41Å; V72-E76 PolarHBondContact O-N 3.05Å; V72-F79 HydrophobicContact CG1-CD2 4.06Å; V72-F79 HydrophobicContact CG1-CE2 4.01Å
73	I	96.8	Very high	95.4	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-34.9	178.3	-74.8	167.1	0	0	0	111.9	L48 I69 K70 Y71 F79 L82 R83 V86	L48-I73 HydrophobicContact CD1-CG1 4.17Å; I69-I73 HydrophobicContact CG2-CD1 3.73Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 WeakPolarHBondContact O-CG1 3.29Å; I69-I73 PolarHBondContact O-N 2.75Å; K70-I73 PolarHBondContact O-N 2.8Å; K70-I73 VanDerWaalsContact O-N 3.13Å; Y71-I73 VanDerWaalsContact C-N 3.34Å; Y71-I73 PolarHBondContact O-N 2.63Å; I73-F79 HydrophobicContact CB-CB 4.48Å; I73-F79 HydrophobicContact CG1-CB 4.25Å; I73-L82 HydrophobicContact CD1-CB 3.94Å; I73-L82 HydrophobicContact CD1-CD1 3.96Å; I73-L82 HydrophobicContact CG1-CB 4.24Å; I73-L82 HydrophobicContact CG1-CD1 4.06Å; I73-L82 HydrophobicContact CG2-CB 3.74Å; I73-R83 HydrophobicContact CG2-CG 4.08Å; I73-V86 HydrophobicContact CB-CG2 4.42Å; I73-V86 HydrophobicContact CD1-CG1 3.59Å; I73-V86 HydrophobicContact CG2-CG2 3.87Å
74	E	95.2	Very high	95.6	Very high	73 Å²	73	58.9 Å²	58.9	34%	0.341	30%	0.3	S	S	.	.	H	α-helix	trans	-73.2	-36.9	178.9	-73	175.6	172.1	0	0	112.5	K70 Y71 V72 R83	K70-E74 WeakPolarHBondContact CE-OE1 3.3Å; K70-E74 WeakPolarHBondContact O-CG 3.27Å; K70-E74 PolarHBondContact O-N 2.79Å; Y71-E74 PolarHBondContact O-N 3.24Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 3.44Å; E74-R83 PolarHBondContact O-NH2 3.49Å
75	H	94	Very high	95.6	Very high	114 Å²	114	62.2 Å²	62.2	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-91.4	-19.8	-173.7	-67.3	70.3	0	0	0	114.2	Y71 V72	Y71-H75 AromaticContact CD2-CE1 3.39Å; Y71-H75 WeakPolarHBondContact CD2-CE1 3.22Å; Y71-H75 AromaticContact CD2-ND1 3.67Å; Y71-H75 AromaticContact CE1-ND1 3.98Å; Y71-H75 AromaticContact CE2-CE1 3.06Å; Y71-H75 WeakPolarHBondContact CE2-CE1 3.3Å; Y71-H75 AromaticContact CE2-ND1 3.57Å; Y71-H75 AromaticContact CE2-NE2 3.37Å; Y71-H75 WeakPolarHBondContact CE2-NE2 3.29Å; Y71-H75 AromaticContact CG-ND1 3.92Å; Y71-H75 AromaticContact CZ-CD2 3.77Å; Y71-H75 AromaticContact CZ-CE1 3.54Å; Y71-H75 AromaticContact CZ-CG 3.89Å; Y71-H75 AromaticContact CZ-ND1 3.72Å; Y71-H75 AromaticContact CZ-NE2 3.54Å; Y71-H75 PolarHBondContact O-N 2.9Å; Y71-H75 VanDerWaalsContact O-N 3.11Å; Y71-H75 PolarHBondContact O-ND1 3.36Å; V72-H75 PolarHBondContact O-N 3.01Å
76	E	95.5	Very high	95.7	Very high	29 Å²	29	60.7 Å²	60.7	14%	0.136	31%	0.306	C	S	.	.			trans	-95.6	116.7	177.5	-176.3	76.2	-144.3	0	0	110.7	R51 V72 R78 F79	R51-E76 IonicContact CZ-OE2 3.28Å; R51-E76 IonicContact NE-OE2 3.94Å; R51-E76 PolarHBondContact NE-OE2 3.42Å; R51-E76 IonicContact NH2-OE2 3.68Å; V72-E76 VanDerWaalsContact O-CB 3.29Å; V72-E76 WeakPolarHBondContact O-CB 3.41Å; V72-E76 PolarHBondContact O-N 3.05Å; E76-R78 HydrophobicContact CG-CB 4.23Å; E76-R78 PolarHBondContact O-N 3.09Å; E76-R78 VanDerWaalsContact O-N 3.15Å; E76-R78 IonicContact OE1-CZ 3.58Å; E76-R78 IonicContact OE1-NE 2.77Å; E76-R78 PolarHBondContact OE1-NE 2.87Å; E76-R78 IonicContact OE1-NH2 3.65Å; E76-R78 PolarHBondContact OE1-NH2 2.87Å; E76-R78 IonicContact OE2-NH2 2.72Å; E76-F79 HydrophobicContact CB-CB 4.43Å; E76-F79 HydrophobicContact CB-CD2 3.57Å; E76-F79 HydrophobicContact CB-CE2 4.07Å; E76-F79 HydrophobicContact CB-CG 4.19Å; E76-F79 HydrophobicContact CG-CD2 3.58Å; E76-F79 HydrophobicContact CG-CE2 3.75Å; E76-F79 HydrophobicContact CG-CG 4.03Å; E76-F79 HydrophobicContact CG-CZ 4.33Å; E76-F79 PolarHBondContact O-N 3.28Å
77	P	95.4	Very high	95.7	Very high	93 Å²	93	61.2 Å²	61.2	60%	0.604	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.3	-27.6	-175.1	24.5	-34	0	0	0	113.1	F79 T80	P77-F79 PolarHBondContact O-N 2.72Å; P77-T80 WeakPolarHBondContact O-CG2 3.29Å; P77-T80 PolarHBondContact O-N 3.36Å; P77-T80 PolarHBondContact O-OG1 2.69Å
78	R	95.6	Very high	95.7	Very high	128 Å²	128	68.2 Å²	68.2	48%	0.483	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-68.3	-19.6	177	-66.4	179.8	-71.2	173.4	-1.8	113.2	E76 F81	E76-R78 HydrophobicContact CG-CB 4.23Å; E76-R78 PolarHBondContact O-N 3.09Å; E76-R78 VanDerWaalsContact O-N 3.15Å; E76-R78 IonicContact OE1-CZ 3.58Å; E76-R78 IonicContact OE1-NE 2.77Å; E76-R78 PolarHBondContact OE1-NE 2.87Å; E76-R78 IonicContact OE1-NH2 3.65Å; E76-R78 PolarHBondContact OE1-NH2 2.87Å; E76-R78 IonicContact OE2-NH2 2.72Å; R78-F81 WeakPolarHBondContact O-CD1 3.35Å; R78-F81 VanDerWaalsContact O-CE1 3.29Å; R78-F81 WeakPolarHBondContact O-CE1 3.06Å
79	F	96.6	Very high	95.7	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.009	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-102.7	9.2	-177.2	-59.8	-27.2	0	0	0	113.6	F44 Q47 L48 V72 I73 E76 P77 F81 L82	F44-F79 HydrophobicContact CD2-CE1 4.02Å; F44-F79 AromaticContact CE2-CD1 3.84Å; F44-F79 HydrophobicContact CE2-CD1 3.84Å; F44-F79 AromaticContact CE2-CE1 3.69Å; F44-F79 HydrophobicContact CE2-CE1 3.69Å; Q47-F79 HydrophobicContact CB-CZ 4.39Å; L48-F79 HydrophobicContact CB-CE2 4.42Å; L48-F79 HydrophobicContact CB-CZ 4.19Å; L48-F79 HydrophobicContact CD1-CD2 3.89Å; L48-F79 HydrophobicContact CD1-CE2 3.73Å; L48-F79 HydrophobicContact CD1-CZ 4.26Å; V72-F79 HydrophobicContact CG1-CD2 4.06Å; V72-F79 HydrophobicContact CG1-CE2 4.01Å; I73-F79 HydrophobicContact CB-CB 4.48Å; I73-F79 HydrophobicContact CG1-CB 4.25Å; E76-F79 HydrophobicContact CB-CB 4.43Å; E76-F79 HydrophobicContact CB-CD2 3.57Å; E76-F79 HydrophobicContact CB-CE2 4.07Å; E76-F79 HydrophobicContact CB-CG 4.19Å; E76-F79 HydrophobicContact CG-CD2 3.58Å; E76-F79 HydrophobicContact CG-CE2 3.75Å; E76-F79 HydrophobicContact CG-CG 4.03Å; E76-F79 HydrophobicContact CG-CZ 4.33Å; E76-F79 PolarHBondContact O-N 3.28Å; P77-F79 PolarHBondContact O-N 2.72Å; F79-F81 HydrophobicContact CD1-CE1 4.41Å; F79-F81 PolarHBondContact O-N 3.07Å; F79-F81 VanDerWaalsContact O-N 3.09Å; F79-L82 HydrophobicContact CB-CD1 4.27Å; F79-L82 WeakPolarHBondContact O-CB 3.39Å; F79-L82 PolarHBondContact O-N 3.18Å
80	T	96.3	Very high	95.4	Very high	69 Å²	69	72.8 Å²	72.8	42%	0.423	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-52	-34.3	179.9	47.1	0	0	0	0	114.1	P77 L82 R83	P77-T80 WeakPolarHBondContact O-CG2 3.29Å; P77-T80 PolarHBondContact O-N 3.36Å; P77-T80 PolarHBondContact O-OG1 2.69Å; T80-L82 PolarHBondContact O-N 2.77Å; T80-L82 VanDerWaalsContact O-N 3.09Å; T80-R83 WeakPolarHBondContact O-CB 3.37Å; T80-R83 WeakPolarHBondContact O-CG 3.34Å; T80-R83 PolarHBondContact O-N 3.42Å; T80-R83 VanDerWaalsContact O-N 3.11Å
81	F	96.9	Very high	95	Very high	125 Å²	125	76.9 Å²	76.9	55%	0.548	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-62.1	-14.6	177.3	71.3	-86.4	0	0	0	114.3	F44 R78 F79	F44-F81 HydrophobicContact CD2-CZ 4.43Å; F44-F81 HydrophobicContact CE2-CE1 4.32Å; F44-F81 AromaticContact CE2-CZ 3.7Å; F44-F81 HydrophobicContact CE2-CZ 3.7Å; F44-F81 AromaticContact CZ-CZ 3.95Å; F44-F81 HydrophobicContact CZ-CZ 3.95Å; R78-F81 WeakPolarHBondContact O-CD1 3.35Å; R78-F81 VanDerWaalsContact O-CE1 3.29Å; R78-F81 WeakPolarHBondContact O-CE1 3.06Å; F79-F81 HydrophobicContact CD1-CE1 4.41Å; F79-F81 PolarHBondContact O-N 3.07Å; F79-F81 VanDerWaalsContact O-N 3.09Å
82	L	97.1	Very high	94.5	Very high	22 Å²	22	74.7 Å²	74.7	12%	0.115	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-97	-7.8	179.2	-58.8	169.8	0	0	0	113.2	F44 I73 F79 T80 S84 L85 V86	F44-L82 HydrophobicContact CE2-CD1 4.23Å; F44-L82 HydrophobicContact CZ-CD1 3.76Å; I73-L82 HydrophobicContact CD1-CB 3.94Å; I73-L82 HydrophobicContact CD1-CD1 3.96Å; I73-L82 HydrophobicContact CG1-CB 4.24Å; I73-L82 HydrophobicContact CG1-CD1 4.06Å; I73-L82 HydrophobicContact CG2-CB 3.74Å; F79-L82 HydrophobicContact CB-CD1 4.27Å; F79-L82 WeakPolarHBondContact O-CB 3.39Å; F79-L82 PolarHBondContact O-N 3.18Å; T80-L82 PolarHBondContact O-N 2.77Å; T80-L82 VanDerWaalsContact O-N 3.09Å; L82-S84 VanDerWaalsContact C-N 3.28Å; L82-S84 PolarHBondContact O-N 3.46Å; L82-L85 HydrophobicContact CD2-CD1 3.85Å; L82-L85 WeakPolarHBondContact O-CA 3.41Å; L82-L85 WeakPolarHBondContact O-CB 3.22Å; L82-L85 PolarHBondContact O-N 2.88Å; L82-V86 PolarHBondContact O-N 3.21Å
83	R	95.6	Very high	93.6	Very high	121 Å²	121	82.6 Å²	82.6	46%	0.457	43%	0.426	S	S	.	.	H	α-helix	trans	-57	-41.7	-174.3	-74.4	178.6	177.3	-179.5	-4.6	112.4	I73 E74 T80 L85 V86 V87	I73-R83 HydrophobicContact CG2-CG 4.08Å; E74-R83 PolarHBondContact O-NH2 3.49Å; T80-R83 WeakPolarHBondContact O-CB 3.37Å; T80-R83 WeakPolarHBondContact O-CG 3.34Å; T80-R83 PolarHBondContact O-N 3.42Å; T80-R83 VanDerWaalsContact O-N 3.11Å; R83-L85 PolarHBondContact O-N 3.23Å; R83-V86 WeakPolarHBondContact O-CG2 3.4Å; R83-V86 PolarHBondContact O-N 3.26Å; R83-V87 VanDerWaalsContact O-CG2 3.23Å; R83-V87 WeakPolarHBondContact O-CG2 3.37Å; R83-V87 PolarHBondContact O-N 2.87Å
84	S	96.4	Very high	92.2	Very high	93 Å²	93	87.5 Å²	87.5	65%	0.65	46%	0.458	S	S	*	.	H	α-helix	trans	-62.4	-25.6	176.6	57.7	0	0	0	0	113.5	L82	L82-S84 VanDerWaalsContact C-N 3.28Å; L82-S84 PolarHBondContact O-N 3.46Å
85	L	96.3	Very high	90.6	Very high	130 Å²	130	87.4 Å²	87.4	68%	0.681	46%	0.46	S	S	*	.	H	α-helix	trans	-82.9	-19.5	180	-58	178.3	0	0	0	113	L82 R83	L82-L85 HydrophobicContact CD2-CD1 3.85Å; L82-L85 WeakPolarHBondContact O-CA 3.41Å; L82-L85 WeakPolarHBondContact O-CB 3.22Å; L82-L85 PolarHBondContact O-N 2.88Å; R83-L85 PolarHBondContact O-N 3.23Å
86	V	95.7	Very high	88.6	Confident	10 Å²	10	87.1 Å²	87.1	6%	0.061	47%	0.471	C	S	.	.	H	α-helix	trans	-108.9	1	-174.8	-61.5	0	0	0	0	114.5	K70 I73 L82 R83 N88 I89	K70-V86 HydrophobicContact CB-CB 4.26Å; K70-V86 HydrophobicContact CG-CB 4.06Å; K70-V86 HydrophobicContact CG-CG2 3.96Å; I73-V86 HydrophobicContact CB-CG2 4.42Å; I73-V86 HydrophobicContact CD1-CG1 3.59Å; I73-V86 HydrophobicContact CG2-CG2 3.87Å; L82-V86 PolarHBondContact O-N 3.21Å; R83-V86 WeakPolarHBondContact O-CG2 3.4Å; R83-V86 PolarHBondContact O-N 3.26Å; V86-N88 PolarHBondContact O-N 3.06Å; V86-N88 VanDerWaalsContact O-N 3.17Å; V86-I89 HydrophobicContact CB-CD1 3.96Å; V86-I89 HydrophobicContact CG1-CD1 3.88Å; V86-I89 WeakPolarHBondContact O-CB 3.39Å; V86-I89 PolarHBondContact O-N 3.47Å
87	V	94.4	Very high	86.7	Confident	94 Å²	94	93.1 Å²	93.1	57%	0.57	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-41.5	-178	-177.7	0	0	0	0	112.3	R83 I89	R83-V87 VanDerWaalsContact O-CG2 3.23Å; R83-V87 WeakPolarHBondContact O-CG2 3.37Å; R83-V87 PolarHBondContact O-N 2.87Å; V87-I89 VanDerWaalsContact C-N 3.27Å; V87-I89 PolarHBondContact O-N 3.24Å
88	N	94	Very high	84.2	Confident	154 Å²	154	97.5 Å²	97.5	82%	0.824	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.2	-175.3	-60.6	-31	0	0	0	113.9	V86	V86-N88 PolarHBondContact O-N 3.06Å; V86-N88 VanDerWaalsContact O-N 3.17Å
89	I	93.7	Very high	82.1	Confident	45 Å²	45	100.3 Å²	100.3	23%	0.231	52%	0.52	C	S	.	.	S	Bend	trans	-84.8	129.4	180	-59.8	177.2	0	0	0	108.6	P66 K70 V86 V87	P66-I89 HydrophobicContact CB-CD1 4.44Å; P66-I89 HydrophobicContact CB-CG2 3.79Å; K70-I89 HydrophobicContact CB-CB 4.43Å; K70-I89 HydrophobicContact CB-CG2 4.29Å; K70-I89 HydrophobicContact CD-CB 4.11Å; K70-I89 HydrophobicContact CD-CG2 4.44Å; K70-I89 VanDerWaalsContact CD-O 3.23Å; K70-I89 WeakPolarHBondContact CD-O 3.32Å; K70-I89 PolarHBondContact NZ-O 3.37Å; V86-I89 HydrophobicContact CB-CD1 3.96Å; V86-I89 HydrophobicContact CG1-CD1 3.88Å; V86-I89 WeakPolarHBondContact O-CB 3.39Å; V86-I89 PolarHBondContact O-N 3.47Å; V87-I89 VanDerWaalsContact C-N 3.27Å; V87-I89 PolarHBondContact O-N 3.24Å
90	P	91.3	Very high	79.3	Confident	105 Å²	105	105.3 Å²	105.3	68%	0.682	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-61.4	140.4	173.9	-22.9	33.4	0	0	0	111.9
91	D	88.5	Confident	76.6	Confident	105 Å²	105	107.7 Å²	107.7	56%	0.561	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-64.9	152.3	178.1	-62.3	-34.7	0	0	0	111.9	K70 K93	K70-D91 WeakPolarHBondContact CD-OD1 3.49Å; K70-D91 WeakPolarHBondContact CE-OD1 3.46Å; K70-D91 IonicContact NZ-OD1 3.77Å; K70-D91 PolarHBondContact NZ-OD1 2.95Å; K70-D91 IonicContact NZ-OD2 3.92Å; D91-K93 PolarHBondContact O-N 2.87Å; D91-K93 VanDerWaalsContact O-N 3.08Å
92	V	83.5	Confident	73.9	Confident	41 Å²	41	106.8 Å²	106.8	25%	0.248	58%	0.583	C	S	.	*			trans	-63.7	115.6	174.8	-173.8	0	0	0	0	107.9	F55 G67 I68	F55-V92 HydrophobicContact CE1-CG2 4.46Å; G67-V92 WeakPolarHBondContact O-CG2 3.49Å; I68-V92 HydrophobicContact CB-CG2 4.49Å; I68-V92 HydrophobicContact CG1-CG2 3.91Å
93	K	76.9	Confident	71.2	Confident	177 Å²	177	115.6 Å²	115.6	77%	0.77	62%	0.62	S	S	*	*			trans	-47.5	133.5	173.6	-66.6	-175.5	178	-177.5	0	109.3	R59 D91 N95	R59-K93 PolarHBondContact NH2-O 2.79Å; D91-K93 PolarHBondContact O-N 2.87Å; D91-K93 VanDerWaalsContact O-N 3.08Å; K93-N95 PolarHBondContact O-N 3.46Å
94	P	67.1	Low	69.1	Low	107 Å²	107	117.8 Å²	117.8	70%	0.695	64%	0.64	S	S	*	*			trans	-54.4	138.9	172.2	24.3	-32.9	0	0	0	108.2	S96	P94-S96 PolarHBondContact O-N 3.49Å
95	N	62.8	Low	66.8	Low	71 Å²	71	118.5 Å²	118.5	38%	0.38	65%	0.645	S	S	.	*			trans	-67.7	95.8	178.8	-149	-5.6	0	0	0	104.7	R59 K93 R97	R59-N95 VanDerWaalsContact CZ-CB 3.4Å; R59-N95 VanDerWaalsContact CZ-N 3.33Å; R59-N95 VanDerWaalsContact NH2-CA 3.35Å; K93-N95 PolarHBondContact O-N 3.46Å; N95-R97 PolarHBondContact ND2-NE 3.49Å; N95-R97 PolarHBondContact O-N 2.84Å
96	S	51.4	Low	64.8	Low	109 Å²	109	116.6 Å²	116.6	76%	0.762	65%	0.648	S	S	*	*			trans	-73.9	56.4	168.2	53.1	0	0	0	0	108.4	P94 K98	P94-S96 PolarHBondContact O-N 3.49Å; S96-K98 PolarHBondContact O-N 2.94Å
97	R	54.9	Low	62.8	Low	155 Å²	155	123.2 Å²	123.2	59%	0.585	68%	0.683	S	S	*	*			trans	-68.6	88.2	152.5	-74.2	-165.5	-67.9	-163.5	-8.3	104.9	N60 N95 Q99	N60-R97 VanDerWaalsContact OD1-CZ 3.28Å; N60-R97 PolarHBondContact OD1-NH1 3.13Å; N60-R97 PolarHBondContact OD1-NH2 2.96Å; N95-R97 PolarHBondContact ND2-NE 3.49Å; N95-R97 PolarHBondContact O-N 2.84Å; R97-Q99 PolarHBondContact O-N 3.23Å
98	K	44.3	Very low	61.1	Low	185 Å²	185	124.6 Å²	124.6	80%	0.804	70%	0.697	S	S	*	*			trans	-40.6	117	151.8	-75.5	-178.8	176	179.3	0	105.6	S96 S100	S96-K98 PolarHBondContact O-N 2.94Å; K98-S100 PolarHBondContact O-N 3.42Å
99	Q	49.7	Very low	59.3	Low	187 Å²	187	124.3 Å²	124.3	87%	0.874	70%	0.695	S	S	*	*			trans	-61.7	84.3	163.9	-167	175.7	14.9	0	0	106.1	R97	R97-Q99 PolarHBondContact O-N 3.23Å
100	S	39.1	Very low	57.8	Low	107 Å²	107	127.4 Å²	127.4	75%	0.748	72%	0.716	S	S	*	*			trans	-79.1	127.7	165.5	52.2	0	0	0	0	106.9	K98	K98-S100 PolarHBondContact O-N 3.42Å
101	C	38.6	Very low	56.3	Low	119 Å²	119	130.6 Å²	130.6	80%	0.804	72%	0.722	S	S	*	*	S	Bend	trans	88.1	97.6	-172.4	-142.8	0	0	0	0	111.5
102	S	40.6	Very low	54.7	Low	106 Å²	106	131.2 Å²	131.2	74%	0.741	73%	0.734	S	S	*	*			cis	-150.5	112.1	49.3	42.2	0	0	0	0	112.2
103	K	41.3	Very low	53.2	Low	207 Å²	207	136.4 Å²	136.4	90%	0.9	76%	0.761	S	S	*	*			trans	-85.4	101.8	151.3	-94.1	179.8	173.7	178.7	0	106.3
104	L	51.2	Low	52.5	Low	166 Å²	166	135.1 Å²	135.1	87%	0.869	77%	0.768	S	S	*	*			trans	-127.7	92.5	154.4	-74.6	177	0	0	0	106.6
105	S	48	Very low	52.1	Low	109 Å²	109	135.2 Å²	135.2	76%	0.762	77%	0.771	S	S	*	*			trans	-65.5	133.5	162.4	42.3	0	0	0	0	109.9
106	A	54.9	Low	51.5	Low	90 Å²	90	139.5 Å²	139.5	74%	0.744	79%	0.794	S	S	*	*			trans	51.9	113.2	136.5	0	0	0	0	0	118.8
107	D	52.3	Low	51.8	Low	148 Å²	148	137 Å²	137	79%	0.791	79%	0.786	S	S	*	*				68	99.9	120.9	-156.8	41.6	0	0	0	117.2
108	S	59.2	Low	51.9	Low	123 Å²	123	136.3 Å²	136.3	86%	0.86	80%	0.799	S	S	*	*			trans	-179	127.6	139.4	-76.8	0	0	0	0	112.1
109	D	56	Low	52.1	Low	148 Å²	148	132.5 Å²	132.5	79%	0.791	80%	0.796	S	S	*	*			trans	-63.9	161	178.5	-108.8	-67.3	0	0	0	116.3
110	V	63	Low	52.1	Low	110 Å²	110	128.8 Å²	128.8	67%	0.667	79%	0.791	S	S	*	*			trans	89.6	113	147.5	173.7	0	0	0	0	121.9
111	Q	59.5	Low	52.5	Low	173 Å²	173	129.1 Å²	129.1	81%	0.808	79%	0.793	S	S	*	*			trans	45.5	125.1	141.5	-69.4	170.3	-76.1	0	0	122.1
112	S	54.2	Low	53.6	Low	117 Å²	117	129.4 Å²	129.4	82%	0.818	79%	0.79	S	S	*	*				-178.6	129.1	110.2	52.2	0	0	0	0	112.5
113	D	51.6	Low	54.1	Low	150 Å²	150	131 Å²	131	80%	0.802	79%	0.791	S	S	*	*			trans	-55.5	151.6	168.1	-63.4	-67.9	0	0	0	113.7
114	T	63.9	Low	54.2	Low	151 Å²	151	129.5 Å²	129.5	93%	0.926	79%	0.787	S	S	*	*				-177.7	158.9	126.6	38.5	0	0	0	0	110.6
115	S	58.6	Low	54.1	Low	108 Å²	108	126.2 Å²	126.2	76%	0.755	77%	0.774	S	S	*	*			trans	-107.7	169.1	-147.5	49.1	0	0	0	0	115
116	D	49.1	Very low	54.2	Low	161 Å²	161	129.9 Å²	129.9	86%	0.861	78%	0.778	S	S	*	*				101.4	136.9	128.8	-141.5	4.6	0	0	0	121
117	G	57.4	Low	53.9	Low	58 Å²	58	135.2 Å²	135.2	60%	0.598	79%	0.788	S	S	*	*			trans	72.2	139.2	158.9	0	0	0	0	0	117.5
118	T	57.1	Low	54.1	Low	139 Å²	139	133.2 Å²	133.2	85%	0.853	79%	0.786	S	S	*	*			cis	-170.6	152.7	19.5	-47.7	0	0	0	0	109
119	S	48.6	Very low	53.7	Low	105 Å²	105	133.7 Å²	133.7	73%	0.734	78%	0.784	S	S	*	*			trans	-65.3	152.2	179.5	52.3	0	0	0	0	118.5
120	S	50.2	Low	53.8	Low	110 Å²	110	133.5 Å²	133.5	77%	0.769	79%	0.787	S	S	*	*			trans	162.4	110.9	131.3	62.1	0	0	0	0	109.4
121	S	46.7	Very low	53.2	Low	113 Å²	113	133.4 Å²	133.4	79%	0.79	79%	0.791	S	S	*	*				50.1	105.5	71.7	-166.7	0	0	0	0	114.7
122	V	62.6	Low	52.9	Low	125 Å²	125	130.8 Å²	130.8	76%	0.758	79%	0.792	S	S	*	*			trans	-174.9	128.5	138.4	-87.5	0	0	0	0	112.6
123	D	52	Low	52.7	Low	141 Å²	141	130.7 Å²	130.7	75%	0.754	79%	0.792	S	S	*	*			trans	56.1	115.9	139	-53.4	-52.4	0	0	0	120.8
124	E	42.7	Very low	53	Low	174 Å²	174	130 Å²	130	81%	0.813	79%	0.793	S	S	*	*				69.4	125.5	59.9	-126.2	-145.7	139.1	0	0	116.8
125	V	48.2	Very low	52.5	Low	97 Å²	97	132.7 Å²	132.7	59%	0.588	79%	0.791	S	S	*	*			trans	71	112.9	160.9	-161.3	0	0	0	0	119
126	H	50.6	Low	51.9	Low	186 Å²	186	136.7 Å²	136.7	86%	0.861	80%	0.795	S	S	*	*				-167.9	97.8	125.9	-85	156.2	0	0	0	110.7	S128	H126-S128 PolarHBondContact O-N 3.2Å
127	Q	49.6	Very low	52.1	Low	202 Å²	202	137.1 Å²	137.1	94%	0.944	80%	0.797	S	S	*	*			trans	-75.7	105.7	157	-83.9	179.6	35.2	0	0	108.2
128	S	56.1	Low	51.7	Low	107 Å²	107	139.7 Å²	139.7	75%	0.748	81%	0.806	S	S	*	*			trans	-93	110.9	168.7	57	0	0	0	0	110.3	H126	H126-S128 PolarHBondContact O-N 3.2Å
129	T	49.9	Very low	51.3	Low	133 Å²	133	136.4 Å²	136.4	82%	0.816	80%	0.801	S	S	*	*			trans	-54.3	122.1	169.3	6.7	0	0	0	0	112	S131	T129-S131 PolarHBondContact O-N 3.29Å
130	V	58.5	Low	52	Low	143 Å²	143	139.4 Å²	139.4	87%	0.867	80%	0.803	S	S	*	*			trans	-87	92.6	169.4	-75.5	0	0	0	0	110.2
131	S	51.2	Low	52.3	Low	108 Å²	108	142.6 Å²	142.6	76%	0.755	80%	0.803	S	S	*	*			trans	-97.9	99.8	168	-68.1	0	0	0	0	109.5	T129 S133	T129-S131 PolarHBondContact O-N 3.29Å; S131-S133 PolarHBondContact O-N 3.34Å
132	S	52.3	Low	52.6	Low	118 Å²	118	147.5 Å²	147.5	83%	0.825	80%	0.804	S	S	*	*			trans	-85.2	91	174.7	46	0	0	0	0	110.7
133	S	50.7	Low	52.4	Low	116 Å²	116	150.9 Å²	150.9	81%	0.811	81%	0.808	S	S	*	*			trans	-83.3	121.3	170.2	32.5	0	0	0	0	111.6	S131	S131-S133 PolarHBondContact O-N 3.34Å
134	V	56.9	Low	52.9	Low	136 Å²	136	152.6 Å²	152.6	82%	0.824	81%	0.812	S	S	*	*			trans	-47.1	118.7	179.1	178.2	0	0	0	0	113.8
135	K	53.5	Low	53	Low	206 Å²	206	149.9 Å²	149.9	90%	0.896	81%	0.812	S	S	*	*			trans	-82.6	108.6	162.3	-94.9	-178.5	176.4	175.4	0	110.3
136	K	47	Very low	53.7	Low	193 Å²	193	151.2 Å²	151.2	84%	0.839	82%	0.823	S	S	*	*			trans	-64.8	128.7	160.3	-88.4	176	173.4	170.2	0	109.3
137	N	52.7	Low	53.9	Low	169 Å²	169	148.3 Å²	148.3	90%	0.904	82%	0.819	S	S	*	*			trans	-129.3	103.9	161.8	-136	9.8	0	0	0	108.7
138	S	47.8	Very low	54.1	Low	112 Å²	112	148.8 Å²	148.8	78%	0.783	82%	0.818	S	S	*	*			trans	-115.6	92.6	173.4	58.5	0	0	0	0	108.7
139	G	49.4	Very low	54.1	Low	71 Å²	71	154.9 Å²	154.9	73%	0.732	82%	0.824	S	S	*	*			trans	-107.1	106.3	160.8	0	0	0	0	0	107.4
140	Q	63.3	Low	54.7	Low	168 Å²	168	158.3 Å²	158.3	79%	0.785	83%	0.828	S	S	*	*				49.4	108	84.6	-77.2	-156.7	4.8	0	0	114.6
141	K	56.7	Low	54.7	Low	176 Å²	176	157.4 Å²	157.4	77%	0.765	82%	0.823	S	S	*	*			trans	120.5	126.1	130.6	-77.7	173.9	178.8	-179.1	0	118.3
142	R	54	Low	54.6	Low	216 Å²	216	157.5 Å²	157.5	82%	0.815	82%	0.823	S	S	*	*			trans	77.1	104.2	148.5	-67.5	164.4	83.9	171.6	4.9	116
143	K	57.7	Low	54.9	Low	196 Å²	196	161.2 Å²	161.2	85%	0.852	82%	0.824	S	S	*	*				48.3	98	77.7	-69.6	-163.7	176.7	-174.6	0	113
144	Q	62.4	Low	55.2	Low	178 Å²	178	164.6 Å²	164.6	83%	0.832	83%	0.827	S	S	*	*				175.4	128.3	116.7	-92.4	164.7	87.9	0	0	112
145	S	43.8	Very low	54.4	Low	117 Å²	117	163.6 Å²	163.6	82%	0.818	83%	0.826	S	S	*	*			trans	-78.8	150.6	169.9	-30.4	0	0	0	0	110.4
146	P	63	Low	54.3	Low	124 Å²	124	158.7 Å²	158.7	81%	0.805	82%	0.815	S	S	*	*			trans	-120	112.9	148.7	10.1	11	0	0	0	111.7
147	T	55.1	Low	54.5	Low	126 Å²	126	157.6 Å²	157.6	77%	0.773	82%	0.817	S	S	*	*			trans	6.1	122.3	139.2	-47.4	0	0	0	0	118.6
148	F	53.6	Low	54.2	Low	212 Å²	212	152.6 Å²	152.6	93%	0.93	81%	0.806	S	S	*	*			trans	-61.1	125.4	158	-83.1	-95.6	0	0	0	111
149	R	57.6	Low	54.4	Low	235 Å²	235	156.7 Å²	156.7	89%	0.887	81%	0.812	S	S	*	*			trans	-114.5	115.4	155.7	-91.5	-173.5	176.4	-174.7	-0.2	109.1
150	K	61.4	Low	54.5	Low	205 Å²	205	160.3 Å²	160.3	89%	0.891	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-88.5	117.1	171	-166.4	176.1	-175.3	-178.3	0	106.8
151	V	57.8	Low	54.1	Low	124 Å²	124	160 Å²	160	75%	0.752	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-93.1	122.2	175.3	171	0	0	0	0	108.7
152	S	49.5	Very low	53.9	Low	109 Å²	109	161.1 Å²	161.1	76%	0.762	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-81.9	133.7	164.3	-57	0	0	0	0	109.5
153	K	60	Low	53.7	Low	197 Å²	197	157.8 Å²	157.8	86%	0.857	83%	0.828	S	S	*	*			trans	-132.9	101.5	160.9	-100.2	177.6	171.2	178.2	0	104.2
154	Q	55.7	Low	53.3	Low	186 Å²	186	154 Å²	154	87%	0.869	83%	0.826	S	S	*	*				41.8	101.9	81.2	-73.6	-171.3	26.8	0	0	113.7
155	S	40.4	Very low	52.9	Low	115 Å²	115	150.9 Å²	150.9	80%	0.804	82%	0.824	S	S	*	*			trans	-73.9	150.5	154.3	43.6	0	0	0	0	110.1
156	P	51.7	Low	53	Low	103 Å²	103	150.1 Å²	150.1	67%	0.669	82%	0.819	S	S	*	*				-143.3	155.1	119.3	24.8	-4.3	0	0	0	114.2
157	I	52	Low	52.3	Low	170 Å²	170	152.3 Å²	152.3	87%	0.872	82%	0.822	S	S	*	*			trans	45.8	113.8	132.2	-51	164.2	0	0	0	114.9
158	G	46.5	Very low	51.9	Low	65 Å²	65	153.6 Å²	153.6	67%	0.67	82%	0.824	S	S	*	*			cis	119.4	119.3	42	0	0	0	0	0	106.2
159	E	51.9	Low	52	Low	197 Å²	197	152.2 Å²	152.2	92%	0.921	82%	0.821	S	S	*	*			trans	-165.3	138.8	160.3	-115.8	171.3	-164.2	0	0	111.7
160	N	50	Low	51.8	Low	147 Å²	147	148.1 Å²	148.1	79%	0.786	82%	0.817	S	S	*	*			trans	-77.3	152.1	-171.3	-57.3	-54.5	0	0	0	111.2
161	N	55.1	Low	51.7	Low	163 Å²	163	146.9 Å²	146.9	87%	0.872	81%	0.814	S	S	*	*				-168	143.8	125.9	-92.7	-29.5	0	0	0	113.8
162	K	52.1	Low	51.3	Low	198 Å²	198	144.2 Å²	144.2	86%	0.861	81%	0.811	S	S	*	*			trans	-61	139.2	-169.7	-62.8	163.3	173.6	176.5	0	114.1
163	T	51.6	Low	51.6	Low	147 Å²	147	145.1 Å²	145.1	90%	0.902	82%	0.817	S	S	*	*			trans	-143.1	131.6	142.4	46.6	0	0	0	0	109.8
164	S	47.3	Very low	51.3	Low	116 Å²	116	140 Å²	140	81%	0.811	81%	0.812	S	S	*	*			trans	-89.6	135.7	-175.1	47.1	0	0	0	0	112.1
165	S	54.9	Low	51.2	Low	112 Å²	112	139.9 Å²	139.9	78%	0.783	82%	0.817	S	S	*	*			trans	-176.2	112.8	140.1	54.7	0	0	0	0	111.8
166	S	46.2	Very low	51.8	Low	102 Å²	102	141.2 Å²	141.2	71%	0.713	82%	0.815	S	S	*	*			trans	8.1	127.1	146.8	64.3	0	0	0	0	120.5
167	L	48.9	Very low	51.8	Low	169 Å²	169	143.5 Å²	143.5	89%	0.885	82%	0.82	S	S	*	*				170.3	127.3	99.6	-103.5	141.1	0	0	0	109.7
168	D	45.2	Very low	52.1	Low	153 Å²	153	143.7 Å²	143.7	82%	0.818	82%	0.822	S	S	*	*			trans	-80.3	169.1	-177.4	-96.8	-48.6	0	0	0	113.7
169	Q	56.3	Low	52.4	Low	184 Å²	184	145.5 Å²	145.5	86%	0.86	82%	0.824	S	S	*	*			trans	95.7	97.4	160.6	-51.3	-179.3	13.4	0	0	116.4
170	N	54.3	Low	53	Low	148 Å²	148	142.1 Å²	142.1	79%	0.791	82%	0.818	S	S	*	*				-164.3	145.6	115.4	-129.3	-17	0	0	0	114.7
171	H	58.5	Low	53.6	Low	180 Å²	180	142.8 Å²	142.8	83%	0.833	82%	0.821	S	S	*	*			trans	-42.7	147.6	172.7	-52.9	-76.9	0	0	0	113.1
172	G	49.8	Very low	53.8	Low	67 Å²	67	145 Å²	145	69%	0.691	82%	0.823	S	S	*	*			cis	122.6	146.3	45	0	0	0	0	0	108.4
173	S	54.6	Low	54.3	Low	128 Å²	128	140.2 Å²	140.2	90%	0.895	82%	0.82	S	S	*	*			trans	86.3	113.9	174.1	81.6	0	0	0	0	118.5
174	A	53.5	Low	54.7	Low	91 Å²	91	138.2 Å²	138.2	75%	0.752	81%	0.813	S	S	*	*			trans	-73.2	148.1	167.5	0	0	0	0	0	111.1
175	L	53.5	Low	55.3	Low	183 Å²	183	143 Å²	143	96%	0.958	82%	0.819	S	S	*	*			trans	-146.7	153.7	146.3	-75.2	-174.4	0	0	0	110.1
176	D	53.6	Low	55.5	Low	143 Å²	143	144.3 Å²	144.3	77%	0.765	82%	0.816	S	S	*	*			trans	-94.9	166.5	-141.2	-151.4	-6.4	0	0	0	113.7
177	L	52.4	Low	55.9	Low	151 Å²	151	150.9 Å²	150.9	79%	0.791	83%	0.825	S	S	*	*			trans	-52.3	135.8	178.9	-66.6	137.7	0	0	0	113.5
178	L	56.9	Low	56.9	Low	173 Å²	173	152.4 Å²	152.4	91%	0.906	82%	0.824	S	S	*	*			trans	-135.4	98.1	153.5	-127.9	77	0	0	0	111.8
179	S	53	Low	57.1	Low	103 Å²	103	153.2 Å²	153.2	72%	0.72	83%	0.829	S	S	*	*			trans	29.8	124.8	132.4	-152.9	0	0	0	0	120.2
180	T	65.5	Low	57	Low	127 Å²	127	148 Å²	148	78%	0.779	82%	0.824	S	S	*	*			trans	-62.3	126.9	168.4	53.7	0	0	0	0	112.6
181	N	62.8	Low	56.6	Low	160 Å²	160	148.2 Å²	148.2	86%	0.856	83%	0.825	S	S	*	*			trans	-107	102.9	160.7	-87.3	-40.6	0	0	0	110.1
182	K	58.6	Low	56.6	Low	209 Å²	209	146.1 Å²	146.1	91%	0.909	83%	0.825	S	S	*	*			trans	-85.9	111.6	157.9	-77.7	-175.7	177.6	175.6	0	107.3
183	A	62.7	Low	56.6	Low	98 Å²	98	149 Å²	149	81%	0.81	83%	0.828	S	S	*	*			trans	-109.8	135.6	175.1	0	0	0	0	0	111.9
184	S	61	Low	56.2	Low	106 Å²	106	146.5 Å²	146.5	74%	0.741	82%	0.823	S	S	*	*			trans	-56	141.3	-171.2	-67.9	0	0	0	0	117.1
185	K	58.8	Low	55.8	Low	216 Å²	216	149.4 Å²	149.4	94%	0.939	83%	0.826	S	S	*	*			trans	-73.8	112.9	154.4	-90.6	173.8	173.6	170.6	0	109.6
186	I	59.2	Low	55.8	Low	140 Å²	140	144.9 Å²	144.9	72%	0.718	81%	0.81	S	S	*	*			trans	-139.6	121.9	162.4	-61.5	175	0	0	0	107.5
187	R	55.4	Low	55.7	Low	240 Å²	240	142.7 Å²	142.7	91%	0.906	81%	0.806	S	S	*	*			trans	160.5	102.5	145.3	-86.6	163.8	-156.5	-124.4	6.8	107.4
188	K	69.1	Low	55.7	Low	201 Å²	201	143.3 Å²	143.3	87%	0.874	81%	0.81	S	S	*	*				85.2	105.1	76.3	-155.2	173.5	-167.2	177.1	0	110.2
189	N	49.3	Very low	55.3	Low	170 Å²	170	138.5 Å²	138.5	91%	0.909	80%	0.802	S	S	*	*			trans	-65.3	124.3	177	-63.9	-10.8	0	0	0	109.6
190	G	54.2	Low	55.1	Low	74 Å²	74	139.5 Å²	139.5	76%	0.763	81%	0.809	S	S	*	*			trans	-115.2	112.9	169.3	0	0	0	0	0	108.9
191	N	46.4	Very low	54.7	Low	152 Å²	152	139.5 Å²	139.5	81%	0.813	81%	0.809	S	S	*	*			trans	-74.7	123.2	172.2	-168.5	31	0	0	0	108.5
192	V	57.6	Low	54	Low	136 Å²	136	137.1 Å²	137.1	82%	0.824	81%	0.805	S	S	*	*			trans	-136.6	109.6	166.8	-179.8	0	0	0	0	108.7
193	V	50.3	Low	53.6	Low	127 Å²	127	136.7 Å²	136.7	77%	0.77	80%	0.803	S	S	*	*			trans	-76	130.8	162.7	168.4	0	0	0	0	107.4
194	G	47	Very low	53	Low	76 Å²	76	137.3 Å²	137.3	78%	0.784	80%	0.801	S	S	*	*			trans	-159.2	115.2	178.3	0	0	0	0	0	110.5
195	N	44.2	Very low	52.7	Low	152 Å²	152	139.9 Å²	139.9	81%	0.813	81%	0.807	S	S	*	*			trans	-87.9	158.7	-162.3	-138.1	23.1	0	0	0	113
196	S	53.3	Low	52.3	Low	88 Å²	88	134.7 Å²	134.7	62%	0.615	80%	0.796	S	S	*	*			trans	73.4	120	141.4	-60.7	0	0	0	0	122.6
197	S	53.3	Low	51.4	Low	97 Å²	97	131.8 Å²	131.8	68%	0.678	80%	0.8	S	S	*	*			trans	56.4	120.9	134.2	61.5	0	0	0	0	119.6
198	N	51.7	Low	51.4	Low	164 Å²	164	126.5 Å²	126.5	88%	0.877	79%	0.794	S	S	*	*				-175.4	124.4	118.6	-85.2	-23.7	0	0	0	113.3
199	G	47.3	Very low	50.7	Low	73 Å²	73	128.5 Å²	128.5	75%	0.753	80%	0.796	S	S	*	*				71.4	93.8	128.1	0	0	0	0	0	119.4
200	S	49.7	Very low	50.4	Low	124 Å²	124	126.7 Å²	126.7	87%	0.867	79%	0.787	S	S	*	*			trans	-68.2	122.6	157.2	53.6	0	0	0	0	110.9
201	V	57.2	Low	50.2	Low	127 Å²	127	131.8 Å²	131.8	77%	0.77	79%	0.79	S	S	*	*			trans	-98.7	112.9	165.5	-80	0	0	0	0	109.3	F203	V201-F203 HydrophobicContact CG2-CE2 4.46Å
202	S	47.1	Very low	50.4	Low	110 Å²	110	129.8 Å²	129.8	77%	0.769	79%	0.788	S	S	*	*			trans	-87.9	117.4	170.3	57.4	0	0	0	0	109.5
203	F	51.8	Low	50.1	Low	199 Å²	199	130.2 Å²	130.2	87%	0.873	79%	0.785	S	S	*	*			trans	-90.4	105.6	166.5	-79.1	-84.9	0	0	0	109.1	V201	V201-F203 HydrophobicContact CG2-CE2 4.46Å
204	S	49.7	Very low	50.5	Low	111 Å²	111	129.3 Å²	129.3	78%	0.776	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-82.2	120.3	166	-64.6	0	0	0	0	108.6
205	N	53.6	Low	50.9	Low	161 Å²	161	132.2 Å²	132.2	86%	0.861	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-91.1	117.4	178.6	-149.8	34.2	0	0	0	108.5
206	P	51.6	Low	51.5	Low	107 Å²	107	134.9 Å²	134.9	70%	0.695	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-81.4	131.4	173.1	31.6	-28.1	0	0	0	109.2	V208	P206-V208 PolarHBondContact O-N 3.33Å
207	G	40.7	Very low	51.8	Low	78 Å²	78	138.8 Å²	138.8	80%	0.804	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-59	124	-176.9	0	0	0	0	0	112.9
208	V	54.3	Low	51.9	Low	130 Å²	130	144.4 Å²	144.4	79%	0.788	79%	0.794	S	S	*	*			trans	-87.6	108.8	162.1	-179.5	0	0	0	0	106.7	P206 N210	P206-V208 PolarHBondContact O-N 3.33Å; V208-N210 PolarHBondContact O-N 2.76Å
209	R	55.7	Low	52.8	Low	242 Å²	242	143 Å²	143	91%	0.913	79%	0.791	S	S	*	*			trans	-66.1	110.7	168.9	-71.7	173.8	157.4	175.3	-7.4	108
210	N	42.6	Very low	53.5	Low	133 Å²	133	148.2 Å²	148.2	71%	0.711	80%	0.796	S	S	*	*			trans	-76.1	133.9	156.4	-67.1	-29.8	0	0	0	107	V208	V208-N210 PolarHBondContact O-N 2.76Å
211	E	50.3	Low	53.7	Low	181 Å²	181	150.6 Å²	150.6	85%	0.846	82%	0.823	S	S	*	*			trans	-174.8	72.6	144.7	-78.5	-40.1	113.8	0	0	106
212	S	50.5	Low	53.5	Low	109 Å²	109	151.8 Å²	151.8	76%	0.762	83%	0.826	S	S	*	*			trans	-94.4	90.4	160.2	64.1	0	0	0	0	107.4	V214	S212-V214 WeakPolarHBondContact O-CG2 3.5Å; S212-V214 PolarHBondContact O-N 3.03Å
213	L	50.4	Low	53.9	Low	145 Å²	145	153.9 Å²	153.9	76%	0.759	83%	0.829	S	S	*	*			trans	-62.7	108.7	167.5	-176.8	69	0	0	0	107.7
214	V	59	Low	54	Low	109 Å²	109	151.4 Å²	151.4	66%	0.661	83%	0.826	S	S	*	*			trans	-97.5	101.3	172.1	-137.4	0	0	0	0	106.5	S212 Y216	S212-V214 WeakPolarHBondContact O-CG2 3.5Å; S212-V214 PolarHBondContact O-N 3.03Å; V214-Y216 PolarHBondContact O-N 3.38Å
215	D	54.3	Low	54.3	Low	137 Å²	137	153.8 Å²	153.8	73%	0.733	83%	0.829	S	S	*	*			trans	-65.8	110.2	170.5	-74.5	-37.6	0	0	0	109
216	Y	58.3	Low	54.3	Low	208 Å²	208	153.4 Å²	153.4	82%	0.816	83%	0.827	S	S	*	*			trans	-92.2	102	165.8	-93.3	-86.2	0	0	0	108.8	V214 Y218	V214-Y216 PolarHBondContact O-N 3.38Å; Y216-Y218 PolarHBondContact O-N 3.4Å
217	Q	59.3	Low	54.5	Low	169 Å²	169	156.5 Å²	156.5	79%	0.79	84%	0.836	S	S	*	*			trans	-62.2	124.5	161.6	-81.6	-74.8	16.4	0	0	109.6
218	Y	54	Low	55.5	Low	216 Å²	216	162.1 Å²	162.1	85%	0.847	84%	0.838	S	S	*	*			trans	-92.9	111.6	165.8	-120.8	-95.8	0	0	0	107.4	Y216	Y216-Y218 PolarHBondContact O-N 3.4Å
219	T	71.2	Confident	55.6	Low	133 Å²	133	164.5 Å²	164.5	82%	0.816	84%	0.842	S	S	*	*			trans	-88	108.8	167.9	-53.2	0	0	0	0	107.7
220	E	62.4	Low	55.5	Low	183 Å²	183	158.1 Å²	158.1	86%	0.855	84%	0.836	S	S	*	*			trans	-72.9	139.8	165.7	-90.6	179.5	150.5	0	0	110.1
221	A	54.2	Low	56.7	Low	174 Å²	174	160.4 Å²	160.4	100%	1.438	85%	0.847	S	S	*	*			trans	-104	0	157.6	0	0	0	0	0	108.4

Retrieved 221 of 221 residues in 338.5 ms (Link to these results)

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