A0A3Q0KLA0_SCHMA Loading...

LysM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 199 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	45.3	Very low	56.5	Low	239 Å²	239	130.3 Å²	130.3	100%	1.177	81%	0.805	S	S	*	*				0	135.6	0	-68.4	153.1	79.5	0	0	107
2	S	54.8	Low	57.3	Low	120 Å²	120	129.8 Å²	129.8	84%	0.839	81%	0.805	S	S	*	*			trans	-85.9	120	-167.8	170.8	0	0	0	0	110.9
3	E	58.4	Low	57.6	Low	179 Å²	179	135 Å²	135	84%	0.836	81%	0.809	S	S	*	*			trans	-120.9	82.5	167.7	-62.3	-167.4	-157.1	0	0	108.7	S5	E3-S5 PolarHBondContact O-N 3.44Å; E3-S5 VanDerWaalsContact O-N 3.12Å
4	G	55.7	Low	58.1	Low	62 Å²	62	139.2 Å²	139.2	64%	0.639	80%	0.804	S	S	*	*			trans	-72.9	95	166.2	0	0	0	0	0	108.5	S6	G4-S6 PolarHBondContact O-N 3.24Å
5	S	56.6	Low	58.4	Low	107 Å²	107	142.5 Å²	142.5	75%	0.748	81%	0.809	S	S	*	*			trans	-56.9	109.5	173.5	-69.8	0	0	0	0	109.8	E3 I7	E3-S5 PolarHBondContact O-N 3.44Å; E3-S5 VanDerWaalsContact O-N 3.12Å; S5-I7 PolarHBondContact O-N 3.24Å
6	S	55	Low	58.6	Low	97 Å²	97	145.3 Å²	145.3	68%	0.678	80%	0.804	S	S	*	*			trans	-68.8	93.1	176.6	-69.7	0	0	0	0	109.3	G4 L8 S9	G4-S6 PolarHBondContact O-N 3.24Å; S6-L8 PolarHBondContact O-N 3.15Å; S6-S9 PolarHBondContact O-N 3.03Å
7	I	61.1	Low	58.9	Low	168 Å²	168	140.8 Å²	140.8	86%	0.862	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-56	-8.4	172.1	10.3	171.3	0	0	0	113.5	S5 S9	S5-I7 PolarHBondContact O-N 3.24Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.25Å
8	L	58.1	Low	59.1	Low	169 Å²	169	139.8 Å²	139.8	89%	0.885	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-79.6	-6.9	-179.6	-63.6	177.2	0	0	0	114.3	S6	S6-L8 PolarHBondContact O-N 3.15Å
9	S	57.9	Low	59.3	Low	113 Å²	113	140.4 Å²	140.4	79%	0.79	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-90.5	-9.3	-170.9	-157.4	0	0	0	0	116	S6 I7	S6-S9 PolarHBondContact O-N 3.03Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.25Å
10	C	53.4	Low	59.3	Low	126 Å²	126	140.8 Å²	140.8	85%	0.851	79%	0.791	S	S	*	*			trans	-129.7	43.3	-172.3	-159.6	0	0	0	0	113.7
11	G	65.5	Low	59.1	Low	53 Å²	53	138.3 Å²	138.3	55%	0.546	78%	0.783	S	S	.	*	S	Bend	trans	-80.5	142.5	160.4	0	0	0	0	0	109.8	K13	G11-K13 PolarHBondContact O-N 3.19Å
12	P	65.1	Low	59.8	Low	125 Å²	125	131.7 Å²	131.7	81%	0.812	76%	0.756	S	S	*	*			trans	-52.7	118.4	168.1	20.7	-30	0	0	0	108.1	R14	P12-R14 VanDerWaalsContact C-N 3.34Å; P12-R14 PolarHBondContact O-N 3.31Å
13	K	62.4	Low	59.8	Low	197 Å²	197	133.1 Å²	133.1	86%	0.857	75%	0.754	S	S	*	*			trans	-58	103.2	173	-79	-179.4	177.7	175	0	106.3	G11 Q15	G11-K13 PolarHBondContact O-N 3.19Å; K13-Q15 VanDerWaalsContact C-N 3.34Å; K13-Q15 PolarHBondContact O-N 3.12Å
14	R	64.4	Low	59.7	Low	194 Å²	194	129.8 Å²	129.8	73%	0.732	75%	0.747	S	S	*	*			trans	-57.7	108.4	163.7	-67.2	-176.8	178.8	-165.2	-0.3	104.6	P12 Y16	P12-R14 VanDerWaalsContact C-N 3.34Å; P12-R14 PolarHBondContact O-N 3.31Å; R14-Y16 HydrophobicContact CB-CD2 4.43Å; R14-Y16 HydrophobicContact CB-CE2 3.9Å; R14-Y16 WeakPolarHBondContact O-CD2 3.4Å; R14-Y16 WeakPolarHBondContact O-CE2 3.42Å; R14-Y16 PolarHBondContact O-N 3.08Å
15	Q	61.8	Low	59.9	Low	189 Å²	189	132.2 Å²	132.2	88%	0.883	75%	0.754	S	S	*	*			trans	-67.8	93.4	168.8	-72	-179.4	-8.5	0	0	105.5	K13 G17	K13-Q15 VanDerWaalsContact C-N 3.34Å; K13-Q15 PolarHBondContact O-N 3.12Å; Q15-G17 PolarHBondContact O-N 3.04Å
16	Y	62.3	Low	60.4	Low	186 Å²	186	134 Å²	134	73%	0.729	75%	0.75	S	S	*	*			trans	-64.4	115.6	159.7	-56.7	-83.2	0	0	0	104.4	R14 T18	R14-Y16 HydrophobicContact CB-CD2 4.43Å; R14-Y16 HydrophobicContact CB-CE2 3.9Å; R14-Y16 WeakPolarHBondContact O-CD2 3.4Å; R14-Y16 WeakPolarHBondContact O-CE2 3.42Å; R14-Y16 PolarHBondContact O-N 3.08Å; Y16-T18 PolarHBondContact O-N 2.92Å
17	G	63.6	Low	61.3	Low	70 Å²	70	132.5 Å²	132.5	72%	0.722	74%	0.735	S	S	*	*			trans	-47.7	130.4	-176.4	0	0	0	0	0	110.6	Q15 L19	Q15-G17 PolarHBondContact O-N 3.04Å; G17-L19 PolarHBondContact O-N 2.83Å
18	T	61.6	Low	62.5	Low	123 Å²	123	126.8 Å²	126.8	76%	0.755	71%	0.709	S	S	*	*			trans	-60.1	134.6	174.9	-56.3	0	0	0	0	108.3	Y16 E20	Y16-T18 PolarHBondContact O-N 2.92Å; T18-E20 HydrophobicContact CG2-CB 4.32Å; T18-E20 PolarHBondContact O-N 2.83Å
19	L	64.1	Low	64	Low	150 Å²	150	124.4 Å²	124.4	79%	0.785	69%	0.689	S	S	*	*			trans	-72.5	59.1	167.2	-63.3	172.4	0	0	0	108.8	G17 S21	G17-L19 PolarHBondContact O-N 2.83Å; L19-S21 PolarHBondContact O-N 3.1Å
20	E	59.5	Low	65.5	Low	149 Å²	149	125 Å²	125	70%	0.696	68%	0.677	S	S	*	*			trans	-69.4	108	172.5	-160.9	168.8	169.2	0	0	106.3	T18 T22	T18-E20 HydrophobicContact CG2-CB 4.32Å; T18-E20 PolarHBondContact O-N 2.83Å; E20-T22 HydrophobicContact CB-CG2 4.14Å; E20-T22 HydrophobicContact CG-CG2 3.76Å; E20-T22 PolarHBondContact O-N 3.36Å
21	S	54.5	Low	67.4	Low	89 Å²	89	124 Å²	124	62%	0.622	66%	0.662	S	S	*	*			trans	-77	63.6	-176.9	-157.9	0	0	0	0	108.1	L19 N23 R59	L19-S21 PolarHBondContact O-N 3.1Å; S21-N23 PolarHBondContact O-N 2.99Å; S21-N23 VanDerWaalsContact O-N 3.07Å; S21-R59 PolarHBondContact OG-NH2 3.08Å
22	T	59.1	Low	68.8	Low	100 Å²	100	123.6 Å²	123.6	61%	0.613	64%	0.644	S	S	*	*			trans	-69.4	108.3	-176.6	59.1	0	0	0	0	109	E20	E20-T22 HydrophobicContact CB-CG2 4.14Å; E20-T22 HydrophobicContact CG-CG2 3.76Å; E20-T22 PolarHBondContact O-N 3.36Å
23	N	56.3	Low	70.1	Confident	149 Å²	149	123.1 Å²	123.1	80%	0.797	64%	0.635	S	S	*	*			trans	32.5	99.7	154.3	-62.6	-33.9	0	0	0	115.5	S21 S25	S21-N23 PolarHBondContact O-N 2.99Å; S21-N23 VanDerWaalsContact O-N 3.07Å; N23-S25 PolarHBondContact O-N 3.48Å
24	T	55.6	Low	71.5	Confident	110 Å²	110	115 Å²	115	68%	0.675	60%	0.601	S	S	*	*			trans	-16.9	85.2	163.5	49.1	0	0	0	0	114.6	Q26	T24-Q26 VanDerWaalsContact C-N 3.33Å; T24-Q26 VanDerWaalsContact CB-NE2 3.27Å; T24-Q26 PolarHBondContact O-N 2.78Å; T24-Q26 PolarHBondContact OG1-NE2 3.46Å; T24-Q26 VanDerWaalsContact OG1-NE2 3.08Å
25	S	61	Low	72.7	Confident	113 Å²	113	112.4 Å²	112.4	79%	0.79	60%	0.596	S	S	*	*			trans	-60.4	106.8	152.2	177.9	0	0	0	0	104.5	N23 N27	N23-S25 PolarHBondContact O-N 3.48Å; S25-N27 PolarHBondContact O-N 2.79Å
26	Q	65.9	Low	73.9	Confident	144 Å²	144	109.9 Å²	109.9	67%	0.673	60%	0.596	S	S	*	*			trans	-70.4	62.7	-171.5	-61.7	-69.7	-23.5	0	0	109.8	T24 P28	T24-Q26 VanDerWaalsContact C-N 3.33Å; T24-Q26 VanDerWaalsContact CB-NE2 3.27Å; T24-Q26 PolarHBondContact O-N 2.78Å; T24-Q26 PolarHBondContact OG1-NE2 3.46Å; T24-Q26 VanDerWaalsContact OG1-NE2 3.08Å; Q26-P28 WeakPolarHBondContact O-CD 3.42Å
27	N	74.4	Confident	75.2	Confident	66 Å²	66	104.8 Å²	104.8	35%	0.353	60%	0.599	S	S	.	*			trans	-69.7	117.9	170.6	-175	31.7	0	0	0	106.8	S25 Y29	S25-N27 PolarHBondContact O-N 2.79Å; N27-Y29 WeakPolarHBondContact O-CD1 3.45Å; N27-Y29 PolarHBondContact O-N 3.05Å
28	P	85.7	Confident	76.4	Confident	48 Å²	48	103.5 Å²	103.5	31%	0.312	58%	0.576	S	S	.	*			trans	-59.8	127	-175.8	23.2	-33.5	0	0	0	110	Q26 V75 F77	Q26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-V75 HydrophobicContact CB-CB 4.48Å; P28-V75 PolarHBondContact O-N 2.89Å; P28-F77 HydrophobicContact CB-CE2 4.46Å; P28-F77 HydrophobicContact CB-CZ 4.17Å; P28-F77 HydrophobicContact CG-CD2 4.5Å; P28-F77 HydrophobicContact CG-CE2 3.52Å; P28-F77 HydrophobicContact CG-CZ 3.71Å
29	Y	89.5	Confident	77.9	Confident	119 Å²	119	101.2 Å²	101.2	47%	0.467	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.7	147.8	174.6	58.6	-93.3	0	0	0	109.6	N27 I31 K72 V73	N27-Y29 WeakPolarHBondContact O-CD1 3.45Å; N27-Y29 PolarHBondContact O-N 3.05Å; Y29-I31 HydrophobicContact CD2-CG1 4.49Å; Y29-I31 HydrophobicContact CE2-CG1 4.48Å; Y29-K72 HydrophobicContact CD2-CB 4.37Å; Y29-K72 HydrophobicContact CD2-CD 4.35Å; Y29-K72 HydrophobicContact CD2-CG 4.21Å; Y29-K72 HydrophobicContact CE2-CD 4.31Å; Y29-K72 HydrophobicContact CE2-CG 4.48Å; Y29-V73 CarbonylContact C-O 3.59Å; Y29-V73 WeakPolarHBondContact CA-O 3.34Å; Y29-V73 WeakPolarHBondContact CB-O 3.09Å
30	K	90.6	Very high	79.2	Confident	125 Å²	125	94.2 Å²	94.2	54%	0.543	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.8	169.7	-176.6	172.6	-178.7	178.2	0	108.2	F47 V73 V75	K30-F47 HydrophobicContact CD-CE1 4.39Å; K30-V73 PolarHBondContact N-O 3.11Å; K30-V73 PolarHBondContact O-N 3.48Å; K30-V75 HydrophobicContact CB-CG2 3.64Å
31	I	93.2	Very high	80.8	Confident	105 Å²	105	91.4 Å²	91.4	54%	0.538	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.4	173.1	-57.7	172.2	0	0	0	107.5	Y29 T70	Y29-I31 HydrophobicContact CD2-CG1 4.49Å; Y29-I31 HydrophobicContact CE2-CG1 4.48Å; I31-T70 HydrophobicContact CG2-CG2 4.45Å
32	Y	93.5	Very high	82.7	Confident	45 Å²	45	90.3 Å²	90.3	18%	0.176	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.4	177.6	-178.3	-97	0	0	0	109.8	V34 I43 F47 T70 L71	Y32-V34 HydrophobicContact CD1-CG2 4.2Å; Y32-I43 HydrophobicContact CD1-CD1 4.11Å; Y32-I43 HydrophobicContact CD1-CG1 4.49Å; Y32-I43 HydrophobicContact CD1-CG2 4.38Å; Y32-I43 HydrophobicContact CE1-CD1 3.83Å; Y32-I43 HydrophobicContact CE1-CG1 3.98Å; Y32-F47 AromaticContact CD2-CE2 3.67Å; Y32-F47 HydrophobicContact CD2-CE2 3.67Å; Y32-F47 AromaticContact CD2-CZ 3.63Å; Y32-F47 HydrophobicContact CD2-CZ 3.63Å; Y32-F47 AromaticContact CE2-CE2 3.97Å; Y32-F47 HydrophobicContact CE2-CE2 3.97Å; Y32-F47 HydrophobicContact CE2-CZ 4.18Å; Y32-F47 HydrophobicContact CG-CE2 4.19Å; Y32-F47 HydrophobicContact CG-CZ 4.34Å; Y32-T70 CarbonylContact O-C 3.55Å; Y32-T70 WeakPolarHBondContact O-CA 3.09Å; Y32-L71 PolarHBondContact N-O 3.03Å; Y32-L71 PolarHBondContact O-N 2.93Å
33	N	93.8	Very high	84.2	Confident	115 Å²	115	85.7 Å²	85.7	62%	0.615	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.6	174.3	-68.6	-22.9	0	0	0	109	T69	N33-T69 WeakPolarHBondContact CA-O 3.45Å
34	V	90.9	Very high	85.9	Confident	25 Å²	25	78.8 Å²	78.8	15%	0.152	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-73.8	130.1	-178.7	179	0	0	0	0	109.1	Y32 D38 I43 I65 T69 L71	Y32-V34 HydrophobicContact CD1-CG2 4.2Å; V34-D38 HydrophobicContact CG1-CB 4.05Å; V34-I43 HydrophobicContact CG2-CD1 4.23Å; V34-I65 HydrophobicContact CG1-CD1 3.56Å; V34-I65 HydrophobicContact CG1-CG1 4.04Å; V34-I65 HydrophobicContact CG2-CD1 4.48Å; V34-T69 PolarHBondContact N-O 3.1Å; V34-L71 HydrophobicContact CG2-CB 3.72Å
35	K	89.9	Confident	87.6	Confident	140 Å²	140	79 Å²	79	61%	0.609	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-95.2	151.8	175.8	-60.9	179.9	-178.1	-179.8	0	110.5	G37 D38	K35-G37 PolarHBondContact O-N 3.28Å; K35-D38 WeakPolarHBondContact CB-OD2 3.45Å; K35-D38 PolarHBondContact N-OD2 2.97Å; K35-D38 WeakPolarHBondContact O-CB 3.41Å; K35-D38 PolarHBondContact O-N 3.43Å
36	P	87.2	Confident	89	Confident	137 Å²	137	79.7 Å²	79.7	89%	0.89	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	126.9	172	-24	33.8	0	0	0	111.1
37	G	88.6	Confident	90.1	Very high	78 Å²	78	75.1 Å²	75.1	80%	0.804	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-9.7	-177.4	0	0	0	0	0	114.9	K35	K35-G37 PolarHBondContact O-N 3.28Å
38	D	90.4	Very high	90.8	Very high	44 Å²	44	73.8 Å²	73.8	24%	0.235	42%	0.417	C	S	.	.			trans	-64.8	148.1	171	-72.1	-19.5	0	0	0	110.7	V34 K35 I43 I65	V34-D38 HydrophobicContact CG1-CB 4.05Å; K35-D38 WeakPolarHBondContact CB-OD2 3.45Å; K35-D38 PolarHBondContact N-OD2 2.97Å; K35-D38 WeakPolarHBondContact O-CB 3.41Å; K35-D38 PolarHBondContact O-N 3.43Å; D38-I43 HydrophobicContact CB-CD1 4.17Å; D38-I43 HydrophobicContact CB-CG1 4.48Å; D38-I65 HydrophobicContact CB-CD1 4.18Å; D38-I65 WeakPolarHBondContact O-CD1 3.5Å
39	T	92.2	Very high	91.1	Very high	75 Å²	75	72.7 Å²	72.7	46%	0.46	41%	0.41	S	S	.	.			trans	-119.5	149.1	172.5	59.1	0	0	0	0	109.9	V41 S42 I43	T39-V41 PolarHBondContact O-N 3.33Å; T39-V41 VanDerWaalsContact O-N 3.11Å; T39-S42 PolarHBondContact O-N 3.47Å; T39-S42 WeakPolarHBondContact OG1-CB 3.37Å; T39-S42 PolarHBondContact OG1-N 2.77Å; T39-I43 WeakPolarHBondContact O-CG1 3.48Å; T39-I43 PolarHBondContact O-N 2.86Å; T39-I43 VanDerWaalsContact O-N 3.1Å
40	L	92.1	Very high	91.2	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	41%	0.413	C	S	.	.	H	α-helix	trans	-58.7	-28.7	178.4	-165.4	59.6	0	0	0	111.9	A44 V51 L54 R55 I65 L71	L40-A44 WeakPolarHBondContact O-CB 3.46Å; L40-A44 PolarHBondContact O-N 2.98Å; L40-V51 HydrophobicContact CB-CG1 4.44Å; L40-V51 HydrophobicContact CD2-CG1 3.65Å; L40-V51 HydrophobicContact CG-CG1 3.95Å; L40-L54 HydrophobicContact CD1-CB 3.78Å; L40-L54 HydrophobicContact CD1-CD1 3.56Å; L40-L54 HydrophobicContact CD1-CG 4.3Å; L40-L54 HydrophobicContact CD2-CB 4.5Å; L40-L54 HydrophobicContact CG-CB 4.3Å; L40-L54 HydrophobicContact CG-CD1 4.13Å; L40-R55 HydrophobicContact CD2-CG 3.63Å; L40-I65 HydrophobicContact CB-CG2 4.2Å; L40-I65 HydrophobicContact CD1-CG2 4.08Å; L40-L71 HydrophobicContact CD1-CD1 4.34Å; L40-L71 HydrophobicContact CD1-CD2 3.77Å
41	V	93.6	Very high	91.3	Very high	90 Å²	90	67.2 Å²	67.2	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-50.6	174	-177.4	0	0	0	0	111.4	T39 I43 A44 V45 V51	T39-V41 PolarHBondContact O-N 3.33Å; T39-V41 VanDerWaalsContact O-N 3.11Å; V41-I43 VanDerWaalsContact C-N 3.33Å; V41-I43 PolarHBondContact O-N 2.94Å; V41-A44 WeakPolarHBondContact O-CB 3.47Å; V41-A44 PolarHBondContact O-N 3.3Å; V41-A44 VanDerWaalsContact O-N 3.17Å; V41-V45 WeakPolarHBondContact O-CG2 3.41Å; V41-V45 PolarHBondContact O-N 2.76Å; V41-V51 HydrophobicContact CB-CG2 4.48Å; V41-V51 HydrophobicContact CG2-CG2 4.02Å
42	S	92.6	Very high	91.3	Very high	66 Å²	66	67.6 Å²	67.6	46%	0.462	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-45.8	179.2	-177.4	0	0	0	0	111.4	T39 A44 V45 Q46	T39-S42 PolarHBondContact O-N 3.47Å; T39-S42 WeakPolarHBondContact OG1-CB 3.37Å; T39-S42 PolarHBondContact OG1-N 2.77Å; S42-A44 PolarHBondContact O-N 2.84Å; S42-V45 PolarHBondContact O-N 2.85Å; S42-Q46 WeakPolarHBondContact O-CB 3.42Å; S42-Q46 PolarHBondContact O-N 2.82Å
43	I	92.1	Very high	91.1	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-63.6	-43.3	176.7	-58.1	168.3	0	0	0	110.3	Y32 V34 D38 T39 V41 V45 Q46 F47 L54 I65 L71 V73	Y32-I43 HydrophobicContact CD1-CD1 4.11Å; Y32-I43 HydrophobicContact CD1-CG1 4.49Å; Y32-I43 HydrophobicContact CD1-CG2 4.38Å; Y32-I43 HydrophobicContact CE1-CD1 3.83Å; Y32-I43 HydrophobicContact CE1-CG1 3.98Å; V34-I43 HydrophobicContact CG2-CD1 4.23Å; D38-I43 HydrophobicContact CB-CD1 4.17Å; D38-I43 HydrophobicContact CB-CG1 4.48Å; T39-I43 WeakPolarHBondContact O-CG1 3.48Å; T39-I43 PolarHBondContact O-N 2.86Å; T39-I43 VanDerWaalsContact O-N 3.1Å; V41-I43 VanDerWaalsContact C-N 3.33Å; V41-I43 PolarHBondContact O-N 2.94Å; I43-V45 VanDerWaalsContact C-N 3.33Å; I43-V45 PolarHBondContact O-N 2.84Å; I43-Q46 PolarHBondContact O-N 2.98Å; I43-F47 HydrophobicContact CG2-CD2 3.8Å; I43-F47 HydrophobicContact CG2-CE2 3.96Å; I43-F47 VanDerWaalsContact O-CD2 3.32Å; I43-F47 WeakPolarHBondContact O-CD2 3.18Å; I43-F47 PolarHBondContact O-N 2.96Å; I43-F47 VanDerWaalsContact O-N 3.12Å; I43-L54 HydrophobicContact CG2-CD1 4.39Å; I43-I65 HydrophobicContact CD1-CD1 3.74Å; I43-L71 HydrophobicContact CD1-CD2 3.94Å; I43-L71 HydrophobicContact CG2-CD2 3.99Å; I43-V73 HydrophobicContact CG2-CG2 4.12Å
44	A	92	Very high	91	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.033	38%	0.38	C	S	.	.	H	α-helix	trans	-58.7	-44.9	178.1	0	0	0	0	0	112.3	L40 V41 S42 F47 G48 T49 V51 L54	L40-A44 WeakPolarHBondContact O-CB 3.46Å; L40-A44 PolarHBondContact O-N 2.98Å; V41-A44 WeakPolarHBondContact O-CB 3.47Å; V41-A44 PolarHBondContact O-N 3.3Å; V41-A44 VanDerWaalsContact O-N 3.17Å; S42-A44 PolarHBondContact O-N 2.84Å; A44-F47 PolarHBondContact O-N 3.17Å; A44-G48 CarbonylContact O-C 3.58Å; A44-G48 WeakPolarHBondContact O-CA 3.39Å; A44-G48 PolarHBondContact O-N 3.3Å; A44-T49 CarbonylContact C-O 3.59Å; A44-T49 HydrophobicContact CB-CG2 4.15Å; A44-T49 WeakPolarHBondContact CB-O 3.46Å; A44-T49 PolarHBondContact O-N 3.39Å; A44-V51 HydrophobicContact CB-CG2 3.98Å; A44-L54 HydrophobicContact CB-CD1 3.78Å
45	V	91.3	Very high	91	Very high	114 Å²	114	67.5 Å²	67.5	69%	0.691	39%	0.386	S	S	*	.	H	α-helix	trans	-63.8	-46.1	177.5	173.1	0	0	0	0	111.1	V41 S42 I43 F47 G48	V41-V45 WeakPolarHBondContact O-CG2 3.41Å; V41-V45 PolarHBondContact O-N 2.76Å; S42-V45 PolarHBondContact O-N 2.85Å; I43-V45 VanDerWaalsContact C-N 3.33Å; I43-V45 PolarHBondContact O-N 2.84Å; V45-F47 VanDerWaalsContact C-N 3.28Å; V45-F47 PolarHBondContact O-N 3.47Å; V45-G48 PolarHBondContact O-N 3.12Å; V45-G48 VanDerWaalsContact O-N 3.08Å
46	Q	89.2	Confident	91	Very high	128 Å²	128	69.8 Å²	69.8	60%	0.598	39%	0.391	S	S	*	.	H	α-helix	trans	-57.6	-40.2	179.9	178.7	174.4	75.9	0	0	112.7	S42 I43	S42-Q46 WeakPolarHBondContact O-CB 3.42Å; S42-Q46 PolarHBondContact O-N 2.82Å; I43-Q46 PolarHBondContact O-N 2.98Å
47	F	89.8	Confident	91	Very high	49 Å²	49	65.2 Å²	65.2	22%	0.215	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.2	179.9	-71.7	-89	0	0	0	113.6	K30 Y32 I43 A44 V45 T49 V73	K30-F47 HydrophobicContact CD-CE1 4.39Å; Y32-F47 AromaticContact CD2-CE2 3.67Å; Y32-F47 HydrophobicContact CD2-CE2 3.67Å; Y32-F47 AromaticContact CD2-CZ 3.63Å; Y32-F47 HydrophobicContact CD2-CZ 3.63Å; Y32-F47 AromaticContact CE2-CE2 3.97Å; Y32-F47 HydrophobicContact CE2-CE2 3.97Å; Y32-F47 HydrophobicContact CE2-CZ 4.18Å; Y32-F47 HydrophobicContact CG-CE2 4.19Å; Y32-F47 HydrophobicContact CG-CZ 4.34Å; I43-F47 HydrophobicContact CG2-CD2 3.8Å; I43-F47 HydrophobicContact CG2-CE2 3.96Å; I43-F47 VanDerWaalsContact O-CD2 3.32Å; I43-F47 WeakPolarHBondContact O-CD2 3.18Å; I43-F47 PolarHBondContact O-N 2.96Å; I43-F47 VanDerWaalsContact O-N 3.12Å; A44-F47 PolarHBondContact O-N 3.17Å; V45-F47 VanDerWaalsContact C-N 3.28Å; V45-F47 PolarHBondContact O-N 3.47Å; F47-T49 VanDerWaalsContact C-N 3.27Å; F47-T49 HydrophobicContact CB-CG2 4.27Å; F47-T49 PolarHBondContact O-N 3.03Å; F47-V73 HydrophobicContact CB-CG1 3.53Å; F47-V73 HydrophobicContact CD1-CB 4.5Å; F47-V73 HydrophobicContact CD1-CG1 3.61Å; F47-V73 HydrophobicContact CD2-CG1 3.73Å; F47-V73 HydrophobicContact CD2-CG2 4.49Å; F47-V73 HydrophobicContact CE1-CG1 4.19Å; F47-V73 HydrophobicContact CE2-CG1 4.3Å; F47-V73 HydrophobicContact CE2-CG2 4.48Å; F47-V73 HydrophobicContact CG-CB 4.46Å; F47-V73 HydrophobicContact CG-CG1 3.35Å
48	G	89.2	Confident	91.1	Very high	37 Å²	37	63 Å²	63	38%	0.381	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	34	-176.3	0	0	0	0	0	113.4	A44 V45 K76	A44-G48 CarbonylContact O-C 3.58Å; A44-G48 WeakPolarHBondContact O-CA 3.39Å; A44-G48 PolarHBondContact O-N 3.3Å; V45-G48 PolarHBondContact O-N 3.12Å; V45-G48 VanDerWaalsContact O-N 3.08Å; G48-K76 WeakPolarHBondContact O-CE 3.49Å; G48-K76 PolarHBondContact O-NZ 3.29Å
49	T	90.7	Very high	91	Very high	26 Å²	26	69.8 Å²	69.8	16%	0.16	35%	0.351	C	S	.	.			trans	-110.1	175.6	176.4	-173.2	0	0	0	0	110.7	A44 F47 L54 V73 P74	A44-T49 CarbonylContact C-O 3.59Å; A44-T49 HydrophobicContact CB-CG2 4.15Å; A44-T49 WeakPolarHBondContact CB-O 3.46Å; A44-T49 PolarHBondContact O-N 3.39Å; F47-T49 VanDerWaalsContact C-N 3.27Å; F47-T49 HydrophobicContact CB-CG2 4.27Å; F47-T49 PolarHBondContact O-N 3.03Å; T49-L54 HydrophobicContact CG2-CD1 3.82Å; T49-L54 HydrophobicContact CG2-CD2 3.74Å; T49-L54 HydrophobicContact CG2-CG 3.63Å; T49-V73 HydrophobicContact CG2-CG1 4.46Å; T49-P74 HydrophobicContact CG2-CG 4.45Å; T49-P74 WeakPolarHBondContact OG1-CG 3.16Å
50	T	92.6	Very high	90.8	Very high	87 Å²	87	67.7 Å²	67.7	53%	0.534	34%	0.337	S	S	.	.			trans	-100.1	148.7	174.4	68	0	0	0	0	110.8	Q52 R53 L54	T50-Q52 PolarHBondContact O-N 2.86Å; T50-R53 PolarHBondContact O-N 3.26Å; T50-R53 VanDerWaalsContact O-N 3.08Å; T50-R53 VanDerWaalsContact OG1-CB 3.25Å; T50-R53 WeakPolarHBondContact OG1-CB 3.32Å; T50-R53 PolarHBondContact OG1-N 3.42Å; T50-R53 VanDerWaalsContact OG1-N 3.17Å; T50-L54 PolarHBondContact O-N 2.85Å
51	V	93.4	Very high	90.3	Very high	41 Å²	41	78.8 Å²	78.8	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-55	-43.5	174.5	177.7	0	0	0	0	110.6	L40 V41 A44 R53 L54 R55	L40-V51 HydrophobicContact CB-CG1 4.44Å; L40-V51 HydrophobicContact CD2-CG1 3.65Å; L40-V51 HydrophobicContact CG-CG1 3.95Å; V41-V51 HydrophobicContact CB-CG2 4.48Å; V41-V51 HydrophobicContact CG2-CG2 4.02Å; A44-V51 HydrophobicContact CB-CG2 3.98Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 2.89Å; V51-L54 PolarHBondContact O-N 3.37Å; V51-R55 WeakPolarHBondContact O-CG 3.3Å; V51-R55 PolarHBondContact O-N 3.4Å
52	Q	91.3	Very high	89.9	Confident	113 Å²	113	77.1 Å²	77.1	53%	0.528	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-40.9	178.1	-176	65.7	-13.1	0	0	112.3	T50 R55 W56	T50-Q52 PolarHBondContact O-N 2.86Å; Q52-R55 PolarHBondContact O-N 3.03Å; Q52-W56 PolarHBondContact O-N 3.42Å
53	R	90.6	Very high	89.5	Confident	109 Å²	109	77 Å²	77	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-66.6	-40.7	177	-174.7	58.9	171.9	-178.4	-0	111.6	T50 V51 W56 I57 P74	T50-R53 PolarHBondContact O-N 3.26Å; T50-R53 VanDerWaalsContact O-N 3.08Å; T50-R53 VanDerWaalsContact OG1-CB 3.25Å; T50-R53 WeakPolarHBondContact OG1-CB 3.32Å; T50-R53 PolarHBondContact OG1-N 3.42Å; T50-R53 VanDerWaalsContact OG1-N 3.17Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 2.89Å; R53-W56 PolarHBondContact O-N 2.91Å; R53-I57 HydrophobicContact CG-CD1 3.88Å; R53-I57 VanDerWaalsContact O-CG1 3.3Å; R53-I57 WeakPolarHBondContact O-CG1 3.38Å; R53-I57 PolarHBondContact O-N 3.3Å; R53-P74 HydrophobicContact CG-CG 4.42Å
54	L	91.7	Very high	89	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-62	-45	174.6	-70.2	178.5	0	0	0	111.9	L40 I43 A44 T49 T50 V51 W56 I57 N58 L71 V73	L40-L54 HydrophobicContact CD1-CB 3.78Å; L40-L54 HydrophobicContact CD1-CD1 3.56Å; L40-L54 HydrophobicContact CD1-CG 4.3Å; L40-L54 HydrophobicContact CD2-CB 4.5Å; L40-L54 HydrophobicContact CG-CB 4.3Å; L40-L54 HydrophobicContact CG-CD1 4.13Å; I43-L54 HydrophobicContact CG2-CD1 4.39Å; A44-L54 HydrophobicContact CB-CD1 3.78Å; T49-L54 HydrophobicContact CG2-CD1 3.82Å; T49-L54 HydrophobicContact CG2-CD2 3.74Å; T49-L54 HydrophobicContact CG2-CG 3.63Å; T50-L54 PolarHBondContact O-N 2.85Å; V51-L54 PolarHBondContact O-N 3.37Å; L54-W56 VanDerWaalsContact C-N 3.33Å; L54-W56 PolarHBondContact O-N 3.02Å; L54-I57 PolarHBondContact O-N 3.1Å; L54-N58 WeakPolarHBondContact O-CB 3.43Å; L54-N58 PolarHBondContact O-N 3.43Å; L54-N58 PolarHBondContact O-ND2 2.78Å; L54-L71 HydrophobicContact CD1-CD2 4.41Å; L54-V73 HydrophobicContact CD2-CB 4.19Å; L54-V73 HydrophobicContact CD2-CG1 4.02Å; L54-V73 HydrophobicContact CD2-CG2 3.94Å
55	R	91.1	Very high	88.6	Confident	74 Å²	74	82 Å²	82	28%	0.279	40%	0.396	S	S	.	.	H	α-helix	trans	-57.8	-46.2	175.9	-73.3	-159.3	-62.8	-160.8	-1.4	111.9	L40 V51 Q52 N58 R59 L60	L40-R55 HydrophobicContact CD2-CG 3.63Å; V51-R55 WeakPolarHBondContact O-CG 3.3Å; V51-R55 PolarHBondContact O-N 3.4Å; Q52-R55 PolarHBondContact O-N 3.03Å; R55-N58 CarbonylContact O-C 3.49Å; R55-N58 PolarHBondContact O-N 3.37Å; R55-R59 CarbonylContact O-C 3.52Å; R55-R59 WeakPolarHBondContact O-CA 3.22Å; R55-R59 PolarHBondContact O-N 3.01Å; R55-L60 HydrophobicContact CB-CB 4.3Å; R55-L60 HydrophobicContact CG-CB 4.18Å; R55-L60 PolarHBondContact O-N 3.17Å
56	W	88.5	Confident	88.1	Confident	189 Å²	189	82.5 Å²	82.5	72%	0.716	41%	0.405	S	S	*	.	H	α-helix	trans	-60.1	-49.3	178.8	-175.3	-81.4	0	0	0	112.5	Q52 R53 L54 N58 R59	Q52-W56 PolarHBondContact O-N 3.42Å; R53-W56 PolarHBondContact O-N 2.91Å; L54-W56 VanDerWaalsContact C-N 3.33Å; L54-W56 PolarHBondContact O-N 3.02Å; W56-N58 VanDerWaalsContact C-N 3.28Å; W56-N58 PolarHBondContact O-N 3.37Å; W56-R59 PolarHBondContact O-N 3.39Å
57	I	88.8	Confident	87.8	Confident	41 Å²	41	82.8 Å²	82.8	21%	0.21	41%	0.411	C	S	.	.	H	α-helix	trans	-63.7	-36.4	-178.3	-67.1	166.1	0	0	0	111.2	R53 L54 K72 P74	R53-I57 HydrophobicContact CG-CD1 3.88Å; R53-I57 VanDerWaalsContact O-CG1 3.3Å; R53-I57 WeakPolarHBondContact O-CG1 3.38Å; R53-I57 PolarHBondContact O-N 3.3Å; L54-I57 PolarHBondContact O-N 3.1Å; I57-K72 HydrophobicContact CG2-CB 3.77Å; I57-P74 HydrophobicContact CD1-CB 4Å; I57-P74 HydrophobicContact CD1-CG 3.86Å
58	N	90.3	Very high	87.6	Confident	31 Å²	31	82.6 Å²	82.6	17%	0.166	41%	0.411	C	S	.	.	H	α-helix	trans	-95.7	4	-178.1	-65.9	-78.9	0	0	0	114	L54 R55 W56 L60 L71 K72	L54-N58 WeakPolarHBondContact O-CB 3.43Å; L54-N58 PolarHBondContact O-N 3.43Å; L54-N58 PolarHBondContact O-ND2 2.78Å; R55-N58 CarbonylContact O-C 3.49Å; R55-N58 PolarHBondContact O-N 3.37Å; W56-N58 VanDerWaalsContact C-N 3.28Å; W56-N58 PolarHBondContact O-N 3.37Å; N58-L60 HydrophobicContact CB-CD1 4.01Å; N58-L60 HydrophobicContact CB-CD2 4.29Å; N58-L60 HydrophobicContact CB-CG 3.75Å; N58-L60 PolarHBondContact O-N 3.07Å; N58-L71 HydrophobicContact CB-CD1 4.02Å; N58-L71 VanDerWaalsContact CG-CD1 3.42Å; N58-L71 WeakPolarHBondContact ND2-CD1 3.47Å; N58-K72 PolarHBondContact ND2-O 3.2Å; N58-K72 WeakPolarHBondContact OD1-CB 3.48Å; N58-K72 PolarHBondContact OD1-N 3.21Å
59	R	87.7	Confident	87.5	Confident	186 Å²	186	85.9 Å²	85.9	70%	0.702	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	39.6	-177.3	-55.2	-176.6	178.3	-155.9	-2.7	113.3	S21 R55 W56	S21-R59 PolarHBondContact OG-NH2 3.08Å; R55-R59 CarbonylContact O-C 3.52Å; R55-R59 WeakPolarHBondContact O-CA 3.22Å; R55-R59 PolarHBondContact O-N 3.01Å; W56-R59 PolarHBondContact O-N 3.39Å
60	L	88.2	Confident	87.5	Confident	31 Å²	31	88.1 Å²	88.1	16%	0.162	44%	0.438	C	S	.	.			trans	-90.6	130.7	178.6	-52.1	-179.8	0	0	0	111	R55 N58 I65 I68 L71	R55-L60 HydrophobicContact CB-CB 4.3Å; R55-L60 HydrophobicContact CG-CB 4.18Å; R55-L60 PolarHBondContact O-N 3.17Å; N58-L60 HydrophobicContact CB-CD1 4.01Å; N58-L60 HydrophobicContact CB-CD2 4.29Å; N58-L60 HydrophobicContact CB-CG 3.75Å; N58-L60 PolarHBondContact O-N 3.07Å; L60-I65 HydrophobicContact CD1-CG2 4.3Å; L60-I68 HydrophobicContact CD1-CD1 4.19Å; L60-I68 HydrophobicContact CD2-CD1 3.18Å; L60-I68 HydrophobicContact CG-CD1 4.3Å; L60-L71 HydrophobicContact CD1-CD1 4.16Å
61	W	82.5	Confident	87.5	Confident	237 Å²	237	84 Å²	84	90%	0.898	41%	0.413	S	S	*	.	S	Bend	trans	-85.6	-37.5	173.8	-132.2	-85.6	0	0	0	112
62	S	85.2	Confident	87.5	Confident	55 Å²	55	86.6 Å²	86.6	39%	0.385	42%	0.42	S	S	.	.	S	Bend	trans	-100.4	165.6	176.5	-166.9	0	0	0	0	111.8	D64	S62-D64 VanDerWaalsContact C-N 3.27Å; S62-D64 PolarHBondContact OG-N 3.32Å; S62-D64 PolarHBondContact OG-OD2 2.96Å
63	S	82.2	Confident	87.5	Confident	64 Å²	64	81.2 Å²	81.2	45%	0.448	40%	0.395	S	S	.	.	S	Bend	trans	-79.2	-8.6	168.6	46	0	0	0	0	113.6	I65	S63-I65 PolarHBondContact O-N 3.35Å
64	D	82.2	Confident	87.5	Confident	102 Å²	102	76.8 Å²	76.8	55%	0.545	38%	0.381	S	S	.	.			trans	-73.4	125.2	-178.8	-54.2	-47.2	0	0	0	110.7	S62	S62-D64 VanDerWaalsContact C-N 3.27Å; S62-D64 PolarHBondContact OG-N 3.32Å; S62-D64 PolarHBondContact OG-OD2 2.96Å
65	I	83.3	Confident	87.2	Confident	7 Å²	7	79.4 Å²	79.4	4%	0.036	40%	0.396	C	S	.	.			trans	-112.6	5.9	178.5	62.2	177.2	0	0	0	112.7	V34 D38 L40 I43 L60 S63 N67 I68	V34-I65 HydrophobicContact CG1-CD1 3.56Å; V34-I65 HydrophobicContact CG1-CG1 4.04Å; V34-I65 HydrophobicContact CG2-CD1 4.48Å; D38-I65 HydrophobicContact CB-CD1 4.18Å; D38-I65 WeakPolarHBondContact O-CD1 3.5Å; L40-I65 HydrophobicContact CB-CG2 4.2Å; L40-I65 HydrophobicContact CD1-CG2 4.08Å; I43-I65 HydrophobicContact CD1-CD1 3.74Å; L60-I65 HydrophobicContact CD1-CG2 4.3Å; S63-I65 PolarHBondContact O-N 3.35Å; I65-N67 PolarHBondContact O-N 2.67Å; I65-N67 VanDerWaalsContact O-N 3.12Å; I65-I68 PolarHBondContact O-N 3.08Å; I65-I68 VanDerWaalsContact O-N 3.08Å
66	S	80.9	Confident	86.7	Confident	126 Å²	126	81.9 Å²	81.9	88%	0.881	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.6	-176.4	-51.6	0	0	0	0	113.8
67	N	83	Confident	85.9	Confident	134 Å²	134	81.2 Å²	81.2	72%	0.717	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	3.1	179.8	62.4	-18.4	0	0	0	114	I65	I65-N67 PolarHBondContact O-N 2.67Å; I65-N67 VanDerWaalsContact O-N 3.12Å
68	I	85.6	Confident	84.8	Confident	44 Å²	44	86.8 Å²	86.8	23%	0.226	44%	0.437	C	S	.	.			trans	-125.1	130.2	-174	-65.1	166.6	0	0	0	110.4	L60 I65 T70	L60-I68 HydrophobicContact CD1-CD1 4.19Å; L60-I68 HydrophobicContact CD2-CD1 3.18Å; L60-I68 HydrophobicContact CG-CD1 4.3Å; I65-I68 PolarHBondContact O-N 3.08Å; I65-I68 VanDerWaalsContact O-N 3.08Å; I68-T70 WeakPolarHBondContact CG2-O 3.25Å
69	T	87.6	Confident	83.1	Confident	107 Å²	107	90.5 Å²	90.5	66%	0.656	47%	0.466	S	S	*	.	S	Bend	trans	-91.5	-29.2	178.1	54.3	0	0	0	0	113	N33 V34	N33-T69 WeakPolarHBondContact CA-O 3.45Å; V34-T69 PolarHBondContact N-O 3.1Å
70	T	91.2	Very high	81.4	Confident	73 Å²	73	90.3 Å²	90.3	45%	0.448	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.2	-176.1	60.8	0	0	0	0	111.4	I31 Y32 I68	I31-T70 HydrophobicContact CG2-CG2 4.45Å; Y32-T70 CarbonylContact O-C 3.55Å; Y32-T70 WeakPolarHBondContact O-CA 3.09Å; I68-T70 WeakPolarHBondContact CG2-O 3.25Å
71	L	91.8	Very high	79.6	Confident	1 Å²	1	93.9 Å²	93.9	1%	0.005	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128	179.7	-167.6	76.6	0	0	0	110.5	Y32 V34 L40 I43 L54 N58 L60 V73	Y32-L71 PolarHBondContact N-O 3.03Å; Y32-L71 PolarHBondContact O-N 2.93Å; V34-L71 HydrophobicContact CG2-CB 3.72Å; L40-L71 HydrophobicContact CD1-CD1 4.34Å; L40-L71 HydrophobicContact CD1-CD2 3.77Å; I43-L71 HydrophobicContact CD1-CD2 3.94Å; I43-L71 HydrophobicContact CG2-CD2 3.99Å; L54-L71 HydrophobicContact CD1-CD2 4.41Å; N58-L71 HydrophobicContact CB-CD1 4.02Å; N58-L71 VanDerWaalsContact CG-CD1 3.42Å; N58-L71 WeakPolarHBondContact ND2-CD1 3.47Å; L60-L71 HydrophobicContact CD1-CD1 4.16Å; L71-V73 HydrophobicContact CD2-CG2 4.03Å; L71-V73 HydrophobicContact CG-CG2 4.26Å
72	K	93.1	Very high	78	Confident	94 Å²	94	87.9 Å²	87.9	41%	0.409	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.3	172.5	-64	178.7	-178.3	178.9	0	109.6	Y29 I57 N58	Y29-K72 HydrophobicContact CD2-CB 4.37Å; Y29-K72 HydrophobicContact CD2-CD 4.35Å; Y29-K72 HydrophobicContact CD2-CG 4.21Å; Y29-K72 HydrophobicContact CE2-CD 4.31Å; Y29-K72 HydrophobicContact CE2-CG 4.48Å; I57-K72 HydrophobicContact CG2-CB 3.77Å; N58-K72 PolarHBondContact ND2-O 3.2Å; N58-K72 WeakPolarHBondContact OD1-CB 3.48Å; N58-K72 PolarHBondContact OD1-N 3.21Å
73	V	92.2	Very high	76.2	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.1	-176.9	-179.3	0	0	0	0	109.1	Y29 K30 I43 F47 T49 L54 L71	Y29-V73 CarbonylContact C-O 3.59Å; Y29-V73 WeakPolarHBondContact CA-O 3.34Å; Y29-V73 WeakPolarHBondContact CB-O 3.09Å; K30-V73 PolarHBondContact N-O 3.11Å; K30-V73 PolarHBondContact O-N 3.48Å; I43-V73 HydrophobicContact CG2-CG2 4.12Å; F47-V73 HydrophobicContact CB-CG1 3.53Å; F47-V73 HydrophobicContact CD1-CB 4.5Å; F47-V73 HydrophobicContact CD1-CG1 3.61Å; F47-V73 HydrophobicContact CD2-CG1 3.73Å; F47-V73 HydrophobicContact CD2-CG2 4.49Å; F47-V73 HydrophobicContact CE1-CG1 4.19Å; F47-V73 HydrophobicContact CE2-CG1 4.3Å; F47-V73 HydrophobicContact CE2-CG2 4.48Å; F47-V73 HydrophobicContact CG-CB 4.46Å; F47-V73 HydrophobicContact CG-CG1 3.35Å; T49-V73 HydrophobicContact CG2-CG1 4.46Å; L54-V73 HydrophobicContact CD2-CB 4.19Å; L54-V73 HydrophobicContact CD2-CG1 4.02Å; L54-V73 HydrophobicContact CD2-CG2 3.94Å; L71-V73 HydrophobicContact CD2-CG2 4.03Å; L71-V73 HydrophobicContact CG-CG2 4.26Å
74	P	90.5	Very high	74.7	Confident	16 Å²	16	94.4 Å²	94.4	10%	0.104	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.5	178.3	28.1	-33.4	0	0	0	110.6	T49 R53 I57	T49-P74 HydrophobicContact CG2-CG 4.45Å; T49-P74 WeakPolarHBondContact OG1-CG 3.16Å; R53-P74 HydrophobicContact CG-CG 4.42Å; I57-P74 HydrophobicContact CD1-CB 4Å; I57-P74 HydrophobicContact CD1-CG 3.86Å
75	V	85.8	Confident	73	Confident	55 Å²	55	97 Å²	97	33%	0.333	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-91.5	126.1	175.8	-175.3	0	0	0	0	108.8	P28 K30	P28-V75 HydrophobicContact CB-CB 4.48Å; P28-V75 PolarHBondContact O-N 2.89Å; K30-V75 HydrophobicContact CB-CG2 3.64Å
76	K	80.5	Confident	71.3	Confident	126 Å²	126	104.3 Å²	104.3	55%	0.548	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-88	120.6	163.5	-70.6	-178	165.9	-176	0	107.6	G48 Q78	G48-K76 WeakPolarHBondContact O-CE 3.49Å; G48-K76 PolarHBondContact O-NZ 3.29Å; K76-Q78 VanDerWaalsContact C-N 3.27Å; K76-Q78 HydrophobicContact CB-CG 4.42Å; K76-Q78 PolarHBondContact O-N 2.99Å
77	F	72.2	Confident	69.8	Low	175 Å²	175	105.6 Å²	105.6	77%	0.768	56%	0.559	S	S	*	*			trans	-70.8	90	166.6	-62.3	-74.9	0	0	0	108.2	P28	P28-F77 HydrophobicContact CB-CE2 4.46Å; P28-F77 HydrophobicContact CB-CZ 4.17Å; P28-F77 HydrophobicContact CG-CD2 4.5Å; P28-F77 HydrophobicContact CG-CE2 3.52Å; P28-F77 HydrophobicContact CG-CZ 3.71Å
78	Q	64.6	Low	68.1	Low	158 Å²	158	106.5 Å²	106.5	74%	0.738	56%	0.563	S	S	*	*			trans	-98.5	98.1	161	-65.8	-176	64.8	0	0	104.1	K76 E80	K76-Q78 VanDerWaalsContact C-N 3.27Å; K76-Q78 HydrophobicContact CB-CG 4.42Å; K76-Q78 PolarHBondContact O-N 2.99Å; Q78-E80 PolarHBondContact O-N 3.36Å
79	S	54.6	Low	66	Low	110 Å²	110	109.2 Å²	109.2	77%	0.769	59%	0.587	S	S	*	*			trans	-46.9	115.8	165.9	51.7	0	0	0	0	107.5	S81	S79-S81 PolarHBondContact O-N 3.39Å
80	E	51.7	Low	64	Low	181 Å²	181	111.5 Å²	111.5	85%	0.846	59%	0.593	S	S	*	*			trans	-22.3	98.8	174.8	-153.4	70.4	-143.4	0	0	113.4	Q78	Q78-E80 PolarHBondContact O-N 3.36Å
81	S	51.4	Low	61.6	Low	106 Å²	106	115.6 Å²	115.6	74%	0.741	61%	0.607	S	S	*	*			trans	-127	81.9	154.2	76.8	0	0	0	0	107.2	S79 G83	S79-S81 PolarHBondContact O-N 3.39Å; S81-G83 PolarHBondContact O-N 2.97Å
82	S	48.6	Very low	59.1	Low	112 Å²	112	124.1 Å²	124.1	78%	0.783	65%	0.652	S	S	*	*			trans	-39.7	129.3	161.6	151.4	0	0	0	0	111.6
83	G	47.4	Very low	56.8	Low	45 Å²	45	124.2 Å²	124.2	46%	0.464	66%	0.664	S	S	.	*			trans	102.4	105.8	178	0	0	0	0	0	110.4	S81	S81-G83 PolarHBondContact O-N 2.97Å
84	F	50.7	Low	54.3	Low	211 Å²	211	130.8 Å²	130.8	93%	0.925	71%	0.705	S	S	*	*				-146.3	131.1	51.3	-65.4	-87.8	0	0	0	111.3
85	I	46.2	Very low	52	Low	157 Å²	157	136.8 Å²	136.8	81%	0.805	74%	0.74	S	S	*	*			trans	-81.3	119	165	-52.9	-171.9	0	0	0	107
86	H	48.6	Very low	49.6	Very low	160 Å²	160	143.8 Å²	143.8	74%	0.741	77%	0.767	S	S	*	*			trans	154.6	128.3	139	-104.7	-108.7	0	0	0	112.8
87	H	48.6	Very low	47.2	Very low	153 Å²	153	147 Å²	147	71%	0.708	78%	0.781	S	S	*	*			trans	43.1	111.9	155.6	79.3	-35	0	0	0	120.8	S89	H87-S89 VanDerWaalsContact C-N 3.34Å; H87-S89 PolarHBondContact O-N 3.12Å
88	N	47.8	Very low	45.9	Very low	152 Å²	152	148.6 Å²	148.6	81%	0.813	79%	0.787	S	S	*	*				44.7	37.8	127.9	-130	39.3	0	0	0	120	I90	N88-I90 PolarHBondContact O-N 2.78Å
89	S	41.3	Very low	44.5	Very low	102 Å²	102	146.2 Å²	146.2	71%	0.713	79%	0.788	S	S	*	*			trans	-73.4	96.4	162.3	-64.7	0	0	0	0	108.9	H87 E91	H87-S89 VanDerWaalsContact C-N 3.34Å; H87-S89 PolarHBondContact O-N 3.12Å; S89-E91 PolarHBondContact O-N 2.99Å
90	I	46.5	Very low	43.6	Very low	155 Å²	155	144.9 Å²	144.9	80%	0.795	79%	0.791	S	S	*	*			trans	-68.9	76.2	157.5	-56.9	167.5	0	0	0	105.5	N88	N88-I90 PolarHBondContact O-N 2.78Å
91	E	40.6	Very low	42.7	Very low	159 Å²	159	145 Å²	145	74%	0.743	79%	0.79	S	S	*	*			trans	-106.3	106.1	164.5	-111.8	-165.8	144.4	0	0	107.8	S89 S93	S89-E91 PolarHBondContact O-N 2.99Å; E91-S93 PolarHBondContact O-N 2.9Å
92	L	37.8	Very low	41.8	Very low	179 Å²	179	145.4 Å²	145.4	94%	0.937	79%	0.792	S	S	*	*			trans	-65.9	70.5	168.3	-167.5	72.7	0	0	0	108.4
93	S	45.3	Very low	41.3	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	79%	0.785	S	S	*	*			trans	-84.7	128.7	172.3	58.4	0	0	0	0	109.6	E91 V95	E91-S93 PolarHBondContact O-N 2.9Å; S93-V95 PolarHBondContact O-N 3.33Å
94	T	40.7	Very low	41.2	Very low	139 Å²	139	151.7 Å²	151.7	85%	0.853	80%	0.801	S	S	*	*			trans	-59.8	125.9	179	32.6	0	0	0	0	110.3	K96	T94-K96 PolarHBondContact O-N 3.47Å
95	V	41.3	Very low	40.7	Very low	141 Å²	141	149.4 Å²	149.4	86%	0.855	80%	0.798	S	S	*	*			trans	-54	110.1	-176.9	174	0	0	0	0	110.8	S93 K97	S93-V95 PolarHBondContact O-N 3.33Å; V95-K97 PolarHBondContact O-N 2.93Å
96	K	34.6	Very low	40.7	Very low	203 Å²	203	145.8 Å²	145.8	88%	0.883	78%	0.783	S	S	*	*			trans	-76	105.8	167.1	-163.8	172.6	-176.5	176.7	0	108.7	T94 K98	T94-K96 PolarHBondContact O-N 3.47Å; K96-K98 PolarHBondContact O-N 2.88Å
97	K	31	Very low	40.8	Very low	194 Å²	194	144.5 Å²	144.5	84%	0.843	79%	0.789	S	S	*	*			trans	-47.2	116.8	172.1	-167.4	173.1	-174.2	173.3	0	110.9	V95	V95-K97 PolarHBondContact O-N 2.93Å
98	K	43.8	Very low	40.9	Very low	208 Å²	208	144.1 Å²	144.1	90%	0.904	79%	0.788	S	S	*	*			trans	-114.2	100	165.5	-162.2	172.9	-176	179.6	0	108.8	K96	K96-K98 PolarHBondContact O-N 2.88Å
99	S	35.9	Very low	41.2	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	79%	0.787	S	S	*	*			trans	-73.2	119.9	170.4	48.6	0	0	0	0	109.7
100	G	36.9	Very low	42.5	Very low	81 Å²	81	142 Å²	142	84%	0.835	78%	0.775	S	S	*	*			trans	-133.3	102.9	163.5	0	0	0	0	0	106.7
101	F	31.6	Very low	44	Very low	185 Å²	185	136.6 Å²	136.6	81%	0.811	75%	0.751	S	S	*	*			trans	-102.4	118.6	-174.3	-150.1	-93.5	0	0	0	106.2	N103	F101-N103 WeakPolarHBondContact CD1-OD1 3.38Å; F101-N103 WeakPolarHBondContact CE1-OD1 2.94Å
102	S	33.7	Very low	46.2	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	74%	0.742	S	S	*	*			trans	-125	118.8	165.6	55.9	0	0	0	0	107.3
103	N	37.8	Very low	48.7	Very low	120 Å²	120	127.5 Å²	127.5	64%	0.642	72%	0.724	S	S	*	*			trans	-68	127.6	-177.3	-49.7	-53.6	0	0	0	109.4	F101	F101-N103 WeakPolarHBondContact CD1-OD1 3.38Å; F101-N103 WeakPolarHBondContact CE1-OD1 2.94Å
104	E	45	Very low	50.8	Low	169 Å²	169	127.2 Å²	127.2	79%	0.79	71%	0.714	S	S	*	*			trans	-144.3	125	153.9	-78.9	-57	151.6	0	0	107.5	T106	E104-T106 PolarHBondContact O-N 3.21Å
105	D	40.6	Very low	53.3	Low	163 Å²	163	126.5 Å²	126.5	87%	0.872	70%	0.696	S	S	*	*			trans	-70.1	83.8	-171.1	-71.2	-54.3	0	0	0	111.6
106	T	46.5	Very low	55.8	Low	81 Å²	81	126 Å²	126	50%	0.497	68%	0.683	S	S	.	*	S	Bend	trans	-146.8	149.4	160.4	-11.2	0	0	0	0	107.2	E104 Q108	E104-T106 PolarHBondContact O-N 3.21Å; T106-Q108 HydrophobicContact CG2-CG 4.31Å; T106-Q108 PolarHBondContact O-N 3.24Å
107	P	50	Low	58.6	Low	133 Å²	133	123.5 Å²	123.5	86%	0.864	67%	0.672	S	S	*	*	S	Bend	trans	-67.6	18.2	179.7	-13.4	28.8	0	0	0	113.4	I109	P107-I109 PolarHBondContact O-N 3.44Å
108	Q	50.2	Low	61.7	Low	146 Å²	146	118 Å²	118	68%	0.682	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	114.1	-179.2	-65.9	-163.6	77.5	0	0	108.6	T106	T106-Q108 HydrophobicContact CG2-CG 4.31Å; T106-Q108 PolarHBondContact O-N 3.24Å
109	I	53.4	Low	64.2	Low	153 Å²	153	111.3 Å²	111.3	79%	0.785	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.5	65.5	169.8	-38.6	164	0	0	0	111.4	P107 S111	P107-I109 PolarHBondContact O-N 3.44Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 2.79Å
110	A	69.5	Low	67.1	Low	57 Å²	57	109.5 Å²	109.5	47%	0.471	61%	0.61	S	S	.	*			trans	-47.2	112.1	145.6	0	0	0	0	0	106.1	I114	A110-I114 HydrophobicContact CB-CB 4.08Å; A110-I114 HydrophobicContact CB-CG2 3.91Å
111	S	78.7	Confident	69.9	Low	41 Å²	41	111.6 Å²	111.6	29%	0.287	60%	0.598	S	S	.	*			trans	-43.3	148.1	180	61	0	0	0	0	109.8	I109 S113 I114 Y115	I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 2.79Å; S111-S113 CarbonylContact O-C 3.58Å; S111-S113 PolarHBondContact O-N 3.08Å; S111-S113 PolarHBondContact OG-OG 2.78Å; S111-I114 WeakPolarHBondContact O-CA 3.41Å; S111-I114 PolarHBondContact O-N 2.82Å; S111-I114 WeakPolarHBondContact OG-CD1 3.49Å; S111-I114 VanDerWaalsContact OG-CG1 3.3Å; S111-I114 WeakPolarHBondContact OG-CG1 3.34Å; S111-I114 PolarHBondContact OG-N 3Å; S111-Y115 PolarHBondContact O-N 3.1Å
112	A	86.1	Confident	73	Confident	66 Å²	66	109.9 Å²	109.9	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-48.9	-35.3	178.8	0	0	0	0	0	111.6	I114 Y115 F116	A112-I114 PolarHBondContact O-N 3.03Å; A112-Y115 PolarHBondContact O-N 3.21Å; A112-F116 HydrophobicContact CB-CD2 4.29Å; A112-F116 HydrophobicContact CB-CE2 4.04Å; A112-F116 WeakPolarHBondContact O-CB 3.49Å; A112-F116 WeakPolarHBondContact O-CD2 3.32Å; A112-F116 WeakPolarHBondContact O-CG 3.3Å; A112-F116 PolarHBondContact O-N 3.07Å
113	S	90.5	Very high	76	Confident	81 Å²	81	109 Å²	109	57%	0.566	58%	0.576	S	S	*	*	H	α-helix	trans	-59.8	-39	172.9	41.8	0	0	0	0	115.3	S111 K117	S111-S113 CarbonylContact O-C 3.58Å; S111-S113 PolarHBondContact O-N 3.08Å; S111-S113 PolarHBondContact OG-OG 2.78Å; S113-K117 VanDerWaalsContact O-CB 3.32Å; S113-K117 WeakPolarHBondContact O-CB 3.19Å; S113-K117 PolarHBondContact O-N 3.01Å
114	I	89.8	Confident	78.8	Confident	90 Å²	90	110 Å²	110	46%	0.462	58%	0.577	S	S	.	*	H	α-helix	trans	-69.1	-45.6	177.5	-67.8	167.8	0	0	0	109.8	A110 S111 A112 F116 K117 E118	A110-I114 HydrophobicContact CB-CB 4.08Å; A110-I114 HydrophobicContact CB-CG2 3.91Å; S111-I114 WeakPolarHBondContact O-CA 3.41Å; S111-I114 PolarHBondContact O-N 2.82Å; S111-I114 WeakPolarHBondContact OG-CD1 3.49Å; S111-I114 VanDerWaalsContact OG-CG1 3.3Å; S111-I114 WeakPolarHBondContact OG-CG1 3.34Å; S111-I114 PolarHBondContact OG-N 3Å; A112-I114 PolarHBondContact O-N 3.03Å; I114-F116 PolarHBondContact O-N 3Å; I114-K117 PolarHBondContact O-N 3.25Å; I114-E118 WeakPolarHBondContact O-CB 3.48Å; I114-E118 PolarHBondContact O-N 2.7Å
115	Y	92.3	Very high	81.3	Confident	124 Å²	124	109.7 Å²	109.7	49%	0.486	57%	0.573	S	S	.	*	H	α-helix	trans	-59.3	-46.4	176	173	-99	0	0	0	111.9	S111 A112 K117 E118 L119	S111-Y115 PolarHBondContact O-N 3.1Å; A112-Y115 PolarHBondContact O-N 3.21Å; Y115-K117 VanDerWaalsContact C-N 3.32Å; Y115-K117 PolarHBondContact O-N 3.12Å; Y115-E118 PolarHBondContact O-N 3.23Å; Y115-L119 HydrophobicContact CE1-CD2 4.01Å; Y115-L119 WeakPolarHBondContact O-CB 3.37Å; Y115-L119 PolarHBondContact O-N 3.29Å
116	F	94	Very high	84	Confident	131 Å²	131	104.9 Å²	104.9	58%	0.575	56%	0.556	S	S	*	*	H	α-helix	trans	-62.4	-39.3	176.8	-74	-56.3	0	0	0	112.2	A112 I114 L119 S120	A112-F116 HydrophobicContact CB-CD2 4.29Å; A112-F116 HydrophobicContact CB-CE2 4.04Å; A112-F116 WeakPolarHBondContact O-CB 3.49Å; A112-F116 WeakPolarHBondContact O-CD2 3.32Å; A112-F116 WeakPolarHBondContact O-CG 3.3Å; A112-F116 PolarHBondContact O-N 3.07Å; I114-F116 PolarHBondContact O-N 3Å; F116-L119 PolarHBondContact O-N 3.17Å; F116-S120 WeakPolarHBondContact O-CB 3.44Å; F116-S120 PolarHBondContact O-N 2.82Å; F116-S120 PolarHBondContact O-OG 2.91Å
117	K	94.5	Very high	86.2	Confident	150 Å²	150	108.3 Å²	108.3	65%	0.652	56%	0.564	S	S	*	*	H	α-helix	trans	-64.1	-50.8	176.3	-172.1	178.4	-179.3	-174.1	0	111.3	S113 I114 Y115 L119 S120 E121	S113-K117 VanDerWaalsContact O-CB 3.32Å; S113-K117 WeakPolarHBondContact O-CB 3.19Å; S113-K117 PolarHBondContact O-N 3.01Å; I114-K117 PolarHBondContact O-N 3.25Å; Y115-K117 VanDerWaalsContact C-N 3.32Å; Y115-K117 PolarHBondContact O-N 3.12Å; K117-L119 VanDerWaalsContact C-N 3.29Å; K117-L119 PolarHBondContact O-N 3.38Å; K117-S120 PolarHBondContact O-N 2.88Å; K117-S120 PolarHBondContact O-OG 2.91Å; K117-E121 PolarHBondContact O-N 3.47Å
118	E	95.5	Very high	88.3	Confident	79 Å²	79	106.1 Å²	106.1	37%	0.369	54%	0.542	S	S	.	.	H	α-helix	trans	-59.3	-41.7	177.1	-176.1	-177.4	-172.2	0	0	111.5	I114 Y115 E121 R122	I114-E118 WeakPolarHBondContact O-CB 3.48Å; I114-E118 PolarHBondContact O-N 2.7Å; Y115-E118 PolarHBondContact O-N 3.23Å; E118-E121 PolarHBondContact O-N 3.39Å; E118-R122 VanDerWaalsContact O-CG 3.28Å; E118-R122 WeakPolarHBondContact O-CG 3.35Å; E118-R122 PolarHBondContact O-N 2.94Å; E118-R122 IonicContact OE1-CZ 3.35Å; E118-R122 IonicContact OE1-NE 3.44Å; E118-R122 PolarHBondContact OE1-NE 2.91Å; E118-R122 IonicContact OE1-NH2 2.62Å; E118-R122 PolarHBondContact OE1-NH2 2.83Å; E118-R122 IonicContact OE2-NH2 3.98Å
119	L	95.5	Very high	90.4	Very high	67 Å²	67	101.5 Å²	101.5	35%	0.351	53%	0.529	S	S	.	.	H	α-helix	trans	-62.9	-45.7	176.7	-175.9	62.5	0	0	0	111.4	Y115 F116 K117 E121 R122 V123	Y115-L119 HydrophobicContact CE1-CD2 4.01Å; Y115-L119 WeakPolarHBondContact O-CB 3.37Å; Y115-L119 PolarHBondContact O-N 3.29Å; F116-L119 PolarHBondContact O-N 3.17Å; K117-L119 VanDerWaalsContact C-N 3.29Å; K117-L119 PolarHBondContact O-N 3.38Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.69Å; L119-R122 PolarHBondContact O-N 2.76Å; L119-V123 WeakPolarHBondContact O-CG2 3.39Å; L119-V123 PolarHBondContact O-N 3.38Å
120	S	96.2	Very high	92.2	Very high	69 Å²	69	97.1 Å²	97.1	48%	0.483	52%	0.516	S	S	.	.	H	α-helix	trans	-62.5	-39.6	177.6	63.8	0	0	0	0	112.5	F116 K117 V123 E124	F116-S120 WeakPolarHBondContact O-CB 3.44Å; F116-S120 PolarHBondContact O-N 2.82Å; F116-S120 PolarHBondContact O-OG 2.91Å; K117-S120 PolarHBondContact O-N 2.88Å; K117-S120 PolarHBondContact O-OG 2.91Å; S120-V123 PolarHBondContact O-N 3.47Å; S120-E124 PolarHBondContact O-N 3.43Å
121	E	96.1	Very high	92.9	Very high	125 Å²	125	97.2 Å²	97.2	58%	0.584	51%	0.513	S	S	*	.	H	α-helix	trans	-64.7	-42.4	176.7	-174.4	-176.7	165.6	0	0	111.6	K117 E118 L119 V123 E124 K125	K117-E121 PolarHBondContact O-N 3.47Å; E118-E121 PolarHBondContact O-N 3.39Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 2.69Å; E121-V123 VanDerWaalsContact C-N 3.33Å; E121-V123 PolarHBondContact O-N 3.41Å; E121-E124 PolarHBondContact O-N 3.23Å; E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 PolarHBondContact O-N 3.39Å
122	R	97	Very high	93.2	Very high	149 Å²	149	102 Å²	102	56%	0.562	53%	0.525	S	S	*	.	H	α-helix	trans	-60.7	-41.6	174.5	-71.3	171.3	-176	-166.3	2.4	111.7	E118 L119 A126	E118-R122 VanDerWaalsContact O-CG 3.28Å; E118-R122 WeakPolarHBondContact O-CG 3.35Å; E118-R122 PolarHBondContact O-N 2.94Å; E118-R122 IonicContact OE1-CZ 3.35Å; E118-R122 IonicContact OE1-NE 3.44Å; E118-R122 PolarHBondContact OE1-NE 2.91Å; E118-R122 IonicContact OE1-NH2 2.62Å; E118-R122 PolarHBondContact OE1-NH2 2.83Å; E118-R122 IonicContact OE2-NH2 3.98Å; L119-R122 PolarHBondContact O-N 2.76Å; R122-A126 WeakPolarHBondContact O-CB 3.37Å; R122-A126 PolarHBondContact O-N 3.35Å
123	V	97.5	Very high	93	Very high	96 Å²	96	102.9 Å²	102.9	58%	0.582	53%	0.526	S	S	*	.	H	α-helix	trans	-66.6	-44.4	178.2	171.4	0	0	0	0	111.2	L119 S120 E121 A126 K127	L119-V123 WeakPolarHBondContact O-CG2 3.39Å; L119-V123 PolarHBondContact O-N 3.38Å; S120-V123 PolarHBondContact O-N 3.47Å; E121-V123 VanDerWaalsContact C-N 3.33Å; E121-V123 PolarHBondContact O-N 3.41Å; V123-A126 PolarHBondContact O-N 3.2Å; V123-K127 PolarHBondContact O-N 3.47Å
124	E	96.5	Very high	92.2	Very high	141 Å²	141	104.1 Å²	104.1	66%	0.659	53%	0.526	S	S	*	.	H	α-helix	trans	-65.3	-43.3	178.5	-172.9	175.5	-175.4	0	0	112	S120 E121 A126 K127 E128	S120-E124 PolarHBondContact O-N 3.43Å; E121-E124 PolarHBondContact O-N 3.23Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.99Å; E124-K127 WeakPolarHBondContact O-CB 3.45Å; E124-K127 PolarHBondContact O-N 2.86Å; E124-E128 WeakPolarHBondContact O-CB 3.28Å; E124-E128 PolarHBondContact O-N 3.28Å
125	K	96.6	Very high	91.5	Very high	161 Å²	161	107.9 Å²	107.9	70%	0.7	54%	0.542	S	S	*	.	H	α-helix	trans	-61.3	-39.3	175.1	-174.9	175.4	-178.3	175.3	0	112.4	E121 A129	E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 PolarHBondContact O-N 3.39Å; K125-A129 WeakPolarHBondContact O-CB 3.4Å; K125-A129 PolarHBondContact O-N 2.91Å
126	A	96.8	Very high	90.4	Very high	62 Å²	62	110.4 Å²	110.4	51%	0.512	56%	0.555	S	S	.	*	H	α-helix	trans	-66.9	-40.8	175.4	0	0	0	0	0	111.8	R122 V123 E124 A129 A130	R122-A126 WeakPolarHBondContact O-CB 3.37Å; R122-A126 PolarHBondContact O-N 3.35Å; V123-A126 PolarHBondContact O-N 3.2Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.99Å; A126-A129 PolarHBondContact O-N 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.92Å
127	K	94.7	Very high	88.9	Confident	153 Å²	153	106.1 Å²	106.1	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-60.4	-49	173.7	-179.5	-172.7	173.7	-171.8	0	111.4	V123 E124 A129 A130 S131	V123-K127 PolarHBondContact O-N 3.47Å; E124-K127 WeakPolarHBondContact O-CB 3.45Å; E124-K127 PolarHBondContact O-N 2.86Å; K127-A129 PolarHBondContact O-N 2.62Å; K127-A130 WeakPolarHBondContact O-CB 3.31Å; K127-A130 PolarHBondContact O-N 3.05Å; K127-S131 PolarHBondContact O-N 3.39Å; K127-S131 PolarHBondContact O-OG 2.8Å
128	E	93.1	Very high	87.3	Confident	87 Å²	87	107.6 Å²	107.6	41%	0.407	54%	0.543	S	S	.	.	H	α-helix	trans	-63.3	-41.2	179.6	178.1	61.1	-170.9	0	0	111.9	E124 A130 S131 R132	E124-E128 WeakPolarHBondContact O-CB 3.28Å; E124-E128 PolarHBondContact O-N 3.28Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 3.45Å; E128-S131 PolarHBondContact O-N 3.32Å; E128-R132 WeakPolarHBondContact O-CB 3.42Å; E128-R132 VanDerWaalsContact O-CG 3.31Å; E128-R132 WeakPolarHBondContact O-CG 3.47Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 IonicContact OE1-CZ 3.1Å; E128-R132 IonicContact OE1-NE 2.68Å; E128-R132 PolarHBondContact OE1-NE 3.18Å; E128-R132 IonicContact OE1-NH2 2.73Å; E128-R132 PolarHBondContact OE1-NH2 3.44Å
129	A	94.1	Very high	85.4	Confident	50 Å²	50	107.5 Å²	107.5	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.1	0	0	0	0	0	111.8	K125 A126 K127 R132 C133	K125-A129 WeakPolarHBondContact O-CB 3.4Å; K125-A129 PolarHBondContact O-N 2.91Å; A126-A129 PolarHBondContact O-N 3.25Å; K127-A129 PolarHBondContact O-N 2.62Å; A129-R132 PolarHBondContact O-N 3.06Å; A129-C133 WeakPolarHBondContact O-CB 3.48Å; A129-C133 PolarHBondContact O-N 3.39Å; A129-C133 PolarHBondContact O-SG 2.94Å; A129-C133 VanDerWaalsContact O-SG 3.37Å
130	A	91.4	Very high	83.4	Confident	61 Å²	61	109.1 Å²	109.1	50%	0.504	56%	0.559	S	S	.	*	H	α-helix	trans	-63.9	-44.9	176	0	0	0	0	0	112.1	A126 K127 E128 C133 L134	A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.92Å; K127-A130 WeakPolarHBondContact O-CB 3.31Å; K127-A130 PolarHBondContact O-N 3.05Å; E128-A130 VanDerWaalsContact C-N 3.34Å; E128-A130 PolarHBondContact O-N 3.45Å; A130-C133 WeakPolarHBondContact O-CB 3.49Å; A130-C133 PolarHBondContact O-N 3.27Å; A130-L134 PolarHBondContact O-N 2.97Å
131	S	85.1	Confident	81.2	Confident	59 Å²	59	111.2 Å²	111.2	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-60	-45.8	175.5	-61.3	0	0	0	0	111.9	K127 E128 C133 L134 E135	K127-S131 PolarHBondContact O-N 3.39Å; K127-S131 PolarHBondContact O-OG 2.8Å; E128-S131 PolarHBondContact O-N 3.32Å; S131-C133 VanDerWaalsContact C-N 3.32Å; S131-C133 PolarHBondContact O-N 3.38Å; S131-L134 WeakPolarHBondContact O-CB 3.47Å; S131-L134 PolarHBondContact O-N 2.7Å; S131-L134 VanDerWaalsContact O-N 3.1Å; S131-E135 PolarHBondContact O-N 2.98Å
132	R	83.7	Confident	79	Confident	140 Å²	140	111 Å²	111	53%	0.528	56%	0.563	S	S	.	*	H	α-helix	trans	-63.1	-36.8	176.2	-72.4	178.2	-169.4	-178.6	6.9	112.6	E128 A129 L134 K136	E128-R132 WeakPolarHBondContact O-CB 3.42Å; E128-R132 VanDerWaalsContact O-CG 3.31Å; E128-R132 WeakPolarHBondContact O-CG 3.47Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 IonicContact OE1-CZ 3.1Å; E128-R132 IonicContact OE1-NE 2.68Å; E128-R132 PolarHBondContact OE1-NE 3.18Å; E128-R132 IonicContact OE1-NH2 2.73Å; E128-R132 PolarHBondContact OE1-NH2 3.44Å; A129-R132 PolarHBondContact O-N 3.06Å; R132-L134 VanDerWaalsContact C-N 3.35Å; R132-K136 WeakPolarHBondContact O-CB 3.35Å; R132-K136 WeakPolarHBondContact O-CG 3.35Å; R132-K136 PolarHBondContact O-N 3.35Å
133	C	82.4	Confident	76.9	Confident	86 Å²	86	109.8 Å²	109.8	58%	0.581	57%	0.566	S	S	*	*	H	α-helix	trans	-66	-39.2	172.9	-78.2	0	0	0	0	111.5	A129 A130 S131 S137	A129-C133 WeakPolarHBondContact O-CB 3.48Å; A129-C133 PolarHBondContact O-N 3.39Å; A129-C133 PolarHBondContact O-SG 2.94Å; A129-C133 VanDerWaalsContact O-SG 3.37Å; A130-C133 WeakPolarHBondContact O-CB 3.49Å; A130-C133 PolarHBondContact O-N 3.27Å; S131-C133 VanDerWaalsContact C-N 3.32Å; S131-C133 PolarHBondContact O-N 3.38Å; C133-S137 WeakPolarHBondContact O-CB 3.48Å; C133-S137 PolarHBondContact O-N 3.34Å; C133-S137 PolarHBondContact O-OG 3.14Å
134	L	73.3	Confident	74.6	Confident	107 Å²	107	109.3 Å²	109.3	56%	0.56	57%	0.573	S	S	*	*	H	α-helix	trans	-67.6	-40.2	179.3	-164.6	107.1	0	0	0	112.1	A130 S131 R132 S137 L139	A130-L134 PolarHBondContact O-N 2.97Å; S131-L134 WeakPolarHBondContact O-CB 3.47Å; S131-L134 PolarHBondContact O-N 2.7Å; S131-L134 VanDerWaalsContact O-N 3.1Å; R132-L134 VanDerWaalsContact C-N 3.35Å; L134-S137 WeakPolarHBondContact CA-OG 3.45Å; L134-S137 CarbonylContact O-C 3.53Å; L134-S137 PolarHBondContact O-N 3.2Å; L134-S137 PolarHBondContact O-OG 2.78Å; L134-L139 HydrophobicContact CD1-CD1 3.96Å; L134-L139 HydrophobicContact CG-CD1 4.46Å
135	E	74.9	Confident	72.2	Confident	169 Å²	169	109.8 Å²	109.8	79%	0.79	58%	0.579	S	S	*	*	H	α-helix	trans	-72.8	-33.1	179.3	-165	172.6	-162.9	0	0	112.4	S131	S131-E135 PolarHBondContact O-N 2.98Å
136	K	68.6	Low	69.6	Low	177 Å²	177	104.5 Å²	104.5	77%	0.77	56%	0.562	S	S	*	*	H	α-helix	trans	-73.2	-30.4	171.6	-70.5	175.4	-176.5	-174.5	0	112.6	R132	R132-K136 WeakPolarHBondContact O-CB 3.35Å; R132-K136 WeakPolarHBondContact O-CG 3.35Å; R132-K136 PolarHBondContact O-N 3.35Å
137	S	64.2	Low	67.4	Low	41 Å²	41	106.4 Å²	106.4	29%	0.287	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	127.5	169.8	72.7	0	0	0	0	107.7	C133 L134 L139	C133-S137 WeakPolarHBondContact O-CB 3.48Å; C133-S137 PolarHBondContact O-N 3.34Å; C133-S137 PolarHBondContact O-OG 3.14Å; L134-S137 WeakPolarHBondContact CA-OG 3.45Å; L134-S137 CarbonylContact O-C 3.53Å; L134-S137 PolarHBondContact O-N 3.2Å; L134-S137 PolarHBondContact O-OG 2.78Å; S137-L139 PolarHBondContact O-N 3.1Å; S137-L139 WeakPolarHBondContact OG-CD1 3.31Å; S137-L139 WeakPolarHBondContact OG-CG 3.46Å
138	R	60.6	Low	65.4	Low	180 Å²	180	104.5 Å²	104.5	68%	0.679	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	32.1	-179.7	-168.2	164.9	158.4	142.8	2.3	113.3	E141	R138-E141 HydrophobicContact CG-CB 4.35Å; R138-E141 HydrophobicContact CG-CG 4.35Å; R138-E141 IonicContact CZ-OE1 3.19Å; R138-E141 IonicContact CZ-OE2 3.43Å; R138-E141 VanDerWaalsContact NE-CD 3.31Å; R138-E141 IonicContact NE-OE1 2.71Å; R138-E141 IonicContact NE-OE2 3.54Å; R138-E141 PolarHBondContact NE-OE2 2.86Å; R138-E141 IonicContact NH2-OE1 2.81Å; R138-E141 PolarHBondContact NH2-OE1 2.98Å; R138-E141 IonicContact NH2-OE2 2.93Å; R138-E141 PolarHBondContact NH2-OE2 3.18Å; R138-E141 PolarHBondContact O-N 2.74Å
139	L	55.6	Low	63.6	Low	78 Å²	78	104.5 Å²	104.5	41%	0.408	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-62.8	-22.4	178.4	-71.1	-175.5	0	0	0	115.9	L134 S137 E141 I142	L134-L139 HydrophobicContact CD1-CD1 3.96Å; L134-L139 HydrophobicContact CG-CD1 4.46Å; S137-L139 PolarHBondContact O-N 3.1Å; S137-L139 WeakPolarHBondContact OG-CD1 3.31Å; S137-L139 WeakPolarHBondContact OG-CG 3.46Å; L139-E141 PolarHBondContact O-N 2.9Å; L139-I142 HydrophobicContact CD2-CD1 4.34Å; L139-I142 PolarHBondContact O-N 3Å
140	P	52.6	Low	61.7	Low	100 Å²	100	111 Å²	111	65%	0.649	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-67.7	-16.2	173.2	25.3	-32.1	0	0	0	113.1
141	E	50.9	Low	59.6	Low	113 Å²	113	116.4 Å²	116.4	53%	0.528	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-79.9	-20.2	176.1	-83.9	-170.8	179.6	0	0	114.3	R138 L139	R138-E141 HydrophobicContact CG-CB 4.35Å; R138-E141 HydrophobicContact CG-CG 4.35Å; R138-E141 IonicContact CZ-OE1 3.19Å; R138-E141 IonicContact CZ-OE2 3.43Å; R138-E141 VanDerWaalsContact NE-CD 3.31Å; R138-E141 IonicContact NE-OE1 2.71Å; R138-E141 IonicContact NE-OE2 3.54Å; R138-E141 PolarHBondContact NE-OE2 2.86Å; R138-E141 IonicContact NH2-OE1 2.81Å; R138-E141 PolarHBondContact NH2-OE1 2.98Å; R138-E141 IonicContact NH2-OE2 2.93Å; R138-E141 PolarHBondContact NH2-OE2 3.18Å; R138-E141 PolarHBondContact O-N 2.74Å; L139-E141 PolarHBondContact O-N 2.9Å
142	I	49.7	Very low	57.8	Low	122 Å²	122	121 Å²	121	63%	0.626	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-22.2	-176.9	-53	173.4	0	0	0	111.5	L139 A144 D145	L139-I142 HydrophobicContact CD2-CD1 4.34Å; L139-I142 PolarHBondContact O-N 3Å; I142-A144 VanDerWaalsContact C-N 3.28Å; I142-A144 PolarHBondContact O-N 2.99Å; I142-D145 PolarHBondContact O-N 3.47Å
143	I	51.7	Low	56	Low	122 Å²	122	118.6 Å²	118.6	63%	0.626	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-77.9	-16.4	-179.2	-56.1	173.2	0	0	0	111.6	D145 C146	I143-D145 PolarHBondContact O-N 3.2Å; I143-C146 PolarHBondContact O-N 3.4Å; I143-C146 VanDerWaalsContact O-N 3.09Å
144	A	49.5	Very low	54.1	Low	87 Å²	87	123.4 Å²	123.4	72%	0.719	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-62.6	-21.9	173.3	0	0	0	0	0	113.4	I142	I142-A144 VanDerWaalsContact C-N 3.28Å; I142-A144 PolarHBondContact O-N 2.99Å
145	D	46	Very low	52.4	Low	150 Å²	150	125.4 Å²	125.4	80%	0.802	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-101	6.1	176.2	-70.5	-29.7	0	0	0	113.5	I142 I143 D147	I142-D145 PolarHBondContact O-N 3.47Å; I143-D145 PolarHBondContact O-N 3.2Å; D145-D147 PolarHBondContact O-N 2.96Å; D145-D147 VanDerWaalsContact O-N 3.17Å
146	C	42.1	Very low	50.7	Low	50 Å²	50	123.6 Å²	123.6	34%	0.338	65%	0.648	S	S	.	*			trans	-89.5	84.9	177.3	-128.7	0	0	0	0	110.2	I143 P148 R151	I143-C146 PolarHBondContact O-N 3.4Å; I143-C146 VanDerWaalsContact O-N 3.09Å; C146-P148 WeakPolarHBondContact O-CD 3.35Å; C146-P148 VanDerWaalsContact O-N 3.15Å; C146-R151 PolarHBondContact SG-NH1 2.73Å
147	D	51.2	Low	49.1	Very low	103 Å²	103	118.9 Å²	118.9	55%	0.551	64%	0.638	S	S	*	*			trans	-47	116.4	169	-171.3	-24.5	0	0	0	110	D145 S149 K150	D145-D147 PolarHBondContact O-N 2.96Å; D145-D147 VanDerWaalsContact O-N 3.17Å; D147-S149 PolarHBondContact O-N 2.97Å; D147-S149 WeakPolarHBondContact OD1-CB 3.22Å; D147-S149 PolarHBondContact OD1-N 3.19Å; D147-S149 VanDerWaalsContact OD1-N 3.16Å; D147-S149 PolarHBondContact OD1-OG 2.92Å; D147-S149 PolarHBondContact OD2-OG 3.34Å; D147-K150 PolarHBondContact O-N 2.87Å
148	P	53.4	Low	47.8	Very low	112 Å²	112	122.3 Å²	122.3	73%	0.727	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-8.6	-174	25.8	-34.2	0	0	0	113.2	C146 K150	C146-P148 WeakPolarHBondContact O-CD 3.35Å; C146-P148 VanDerWaalsContact O-N 3.15Å; P148-K150 VanDerWaalsContact C-N 3.26Å; P148-K150 PolarHBondContact O-N 2.92Å
149	S	54.1	Low	46.6	Very low	88 Å²	88	121.4 Å²	121.4	62%	0.615	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-11.7	178.2	63	0	0	0	0	114.8	D147	D147-S149 PolarHBondContact O-N 2.97Å; D147-S149 WeakPolarHBondContact OD1-CB 3.22Å; D147-S149 PolarHBondContact OD1-N 3.19Å; D147-S149 VanDerWaalsContact OD1-N 3.16Å; D147-S149 PolarHBondContact OD1-OG 2.92Å; D147-S149 PolarHBondContact OD2-OG 3.34Å
150	K	54.8	Low	45.7	Very low	186 Å²	186	122.6 Å²	122.6	81%	0.809	68%	0.684	S	S	*	*	S	Bend	trans	-122.3	-0.9	-171.3	-89.8	-176.4	-178.8	174.5	0	117.7	D147 P148	D147-K150 PolarHBondContact O-N 2.87Å; P148-K150 VanDerWaalsContact C-N 3.26Å; P148-K150 PolarHBondContact O-N 2.92Å
151	R	46.5	Very low	44.8	Very low	175 Å²	175	124.4 Å²	124.4	66%	0.66	69%	0.694	S	S	*	*			trans	-136.3	131.9	177.6	-69.1	-170.3	-178.9	136.4	1.4	113	C146 C153	C146-R151 PolarHBondContact SG-NH1 2.73Å; R151-C153 PolarHBondContact O-N 3.41Å; R151-C153 PolarHBondContact O-SG 3Å
152	D	47.8	Very low	44.2	Very low	154 Å²	154	124.9 Å²	124.9	82%	0.824	70%	0.704	S	S	*	*			trans	-63.4	55	162.5	-55.4	-56.1	0	0	0	110.7	F154	D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 HydrophobicContact CB-CE2 4.48Å; D152-F154 WeakPolarHBondContact O-CD2 3.43Å; D152-F154 PolarHBondContact O-N 3.16Å
153	C	45.1	Very low	43.6	Very low	90 Å²	90	126 Å²	126	61%	0.608	71%	0.711	S	S	*	*			trans	-69.5	96.7	168.8	18.4	0	0	0	0	107.1	R151 L155	R151-C153 PolarHBondContact O-N 3.41Å; R151-C153 PolarHBondContact O-SG 3Å; C153-L155 PolarHBondContact O-N 3.37Å
154	F	42.4	Very low	43.1	Very low	188 Å²	188	129 Å²	129	83%	0.825	72%	0.723	S	S	*	*			trans	-55.5	86.1	163.9	-74.6	-92	0	0	0	108.6	D152 V156	D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 HydrophobicContact CB-CE2 4.48Å; D152-F154 WeakPolarHBondContact O-CD2 3.43Å; D152-F154 PolarHBondContact O-N 3.16Å; F154-V156 VanDerWaalsContact C-N 3.29Å; F154-V156 PolarHBondContact O-N 2.72Å
155	L	37.9	Very low	42.8	Very low	149 Å²	149	131.5 Å²	131.5	78%	0.78	73%	0.729	S	S	*	*			trans	-66.5	96.7	161.7	-80.9	-178.8	0	0	0	106.6	C153 S157	C153-L155 PolarHBondContact O-N 3.37Å; L155-S157 PolarHBondContact O-N 2.89Å
156	V	40.1	Very low	42.7	Very low	130 Å²	130	130.8 Å²	130.8	79%	0.788	73%	0.73	S	S	*	*			trans	-75.7	70	161.5	-174	0	0	0	0	106.5	F154 S158	F154-V156 VanDerWaalsContact C-N 3.29Å; F154-V156 PolarHBondContact O-N 2.72Å; V156-S158 PolarHBondContact O-N 3.32Å; V156-S158 VanDerWaalsContact O-N 3.1Å
157	S	34.2	Very low	43.1	Very low	78 Å²	78	134.6 Å²	134.6	55%	0.545	75%	0.751	S	S	.	*			trans	-69.5	103.5	167.4	-66.6	0	0	0	0	107	L155 L159	L155-S157 PolarHBondContact O-N 2.89Å; S157-L159 PolarHBondContact O-N 3.24Å
158	S	37.7	Very low	42.8	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	76%	0.764	S	S	*	*			trans	14.4	82.3	145.5	-44.8	0	0	0	0	114.5	V156 S160	V156-S158 PolarHBondContact O-N 3.32Å; V156-S158 VanDerWaalsContact O-N 3.1Å; S158-S160 VanDerWaalsContact C-N 3.29Å; S158-S160 PolarHBondContact O-N 3.1Å
159	L	34.3	Very low	42.6	Very low	161 Å²	161	138.4 Å²	138.4	84%	0.843	77%	0.767	S	S	*	*			trans	-67.1	94.4	169.3	-83.3	87	0	0	0	108	S157 V161	S157-L159 PolarHBondContact O-N 3.24Å; L159-V161 PolarHBondContact O-N 3.41Å
160	S	36.7	Very low	43	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	77%	0.772	S	S	*	*			trans	-65.7	113.9	158.6	53.9	0	0	0	0	107.4	S158 T162	S158-S160 VanDerWaalsContact C-N 3.29Å; S158-S160 PolarHBondContact O-N 3.1Å; S160-T162 PolarHBondContact O-N 2.95Å
161	V	35.1	Very low	43.1	Very low	139 Å²	139	135.8 Å²	135.8	84%	0.842	77%	0.767	S	S	*	*			trans	-65.6	104.6	176.6	176.4	0	0	0	0	108.8	L159	L159-V161 PolarHBondContact O-N 3.41Å
162	T	37.9	Very low	43.5	Very low	123 Å²	123	133.5 Å²	133.5	76%	0.755	78%	0.775	S	S	*	*			trans	-144.1	115.8	159.8	53	0	0	0	0	109.4	S160	S160-T162 PolarHBondContact O-N 2.95Å
163	D	38	Very low	43.3	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	77%	0.772	S	S	*	*			trans	51.2	107.7	161.5	-85.4	-32.1	0	0	0	121.1	T165	D163-T165 PolarHBondContact O-N 3.48Å
164	E	41.2	Very low	43.2	Very low	186 Å²	186	134.3 Å²	134.3	87%	0.869	78%	0.783	S	S	*	*			trans	23.3	85.4	136.3	-51.1	-148.4	170.2	0	0	118.1
165	T	43.2	Very low	43.2	Very low	139 Å²	139	131 Å²	131	85%	0.853	78%	0.783	S	S	*	*			trans	-137.7	139.2	150.1	47.5	0	0	0	0	111.5	D163	D163-T165 PolarHBondContact O-N 3.48Å
166	V	43.7	Very low	43.2	Very low	135 Å²	135	133.4 Å²	133.4	82%	0.818	79%	0.787	S	S	*	*			trans	-62.2	129.6	-160.7	174.6	0	0	0	0	113.3	M168	V166-M168 PolarHBondContact O-N 3.2Å; V166-M168 VanDerWaalsContact O-N 3.17Å
167	V	49.2	Very low	43.2	Very low	130 Å²	130	135 Å²	135	79%	0.788	79%	0.791	S	S	*	*			trans	-70.1	102.4	173	-123.1	0	0	0	0	109.8	V169	V167-V169 PolarHBondContact O-N 3.46Å
168	M	45.2	Very low	43.9	Very low	166 Å²	166	138.7 Å²	138.7	82%	0.818	80%	0.804	S	S	*	*			trans	-79	95	162.6	-80.9	-75.1	-79.5	0	0	108.4	V166 T170	V166-M168 PolarHBondContact O-N 3.2Å; V166-M168 VanDerWaalsContact O-N 3.17Å; M168-T170 PolarHBondContact O-N 3.48Å; M168-T170 VanDerWaalsContact O-N 3.12Å
169	V	49.1	Very low	43.9	Very low	129 Å²	129	138.2 Å²	138.2	78%	0.782	80%	0.801	S	S	*	*			trans	-72.8	99	170	-179.7	0	0	0	0	107.5	V167	V167-V169 PolarHBondContact O-N 3.46Å
170	T	63.2	Low	44.3	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.7	123	164.2	56.5	0	0	0	0	107.9	M168	M168-T170 PolarHBondContact O-N 3.48Å; M168-T170 VanDerWaalsContact O-N 3.12Å
171	S	56.8	Low	44.7	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.3	134.2	176.5	36.3	0	0	0	0	109.5	T173	S171-T173 PolarHBondContact O-N 3.17Å
172	P	54.1	Low	45	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.3	121.1	171.7	23.5	-29.6	0	0	0	109.7
173	T	43.7	Very low	45	Very low	124 Å²	124	138.1 Å²	138.1	76%	0.761	80%	0.796	S	S	*	*			trans	-43.7	133.5	172.3	-57.1	0	0	0	0	112.3	S171 S175	S171-T173 PolarHBondContact O-N 3.17Å; T173-S175 PolarHBondContact O-N 3.09Å; T173-S175 VanDerWaalsContact O-N 3.1Å
174	T	43.8	Very low	45.6	Very low	136 Å²	136	141.5 Å²	141.5	83%	0.834	80%	0.798	S	S	*	*			trans	-56.8	102.9	175.1	52.5	0	0	0	0	112.1	K176	T174-K176 PolarHBondContact O-N 3.45Å
175	S	41.9	Very low	45.7	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	79%	0.792	S	S	*	*			trans	-86.6	100.5	168.7	-2.1	0	0	0	0	110.3	T173	T173-S175 PolarHBondContact O-N 3.09Å; T173-S175 VanDerWaalsContact O-N 3.1Å
176	K	38.5	Very low	45.8	Very low	200 Å²	200	144.8 Å²	144.8	87%	0.87	79%	0.791	S	S	*	*			trans	26.8	113.5	148.5	-115.4	163.2	-179.2	169.3	0	118.6	T174 N178	T174-K176 PolarHBondContact O-N 3.45Å; K176-N178 PolarHBondContact O-N 3.2Å
177	L	40.4	Very low	45.8	Very low	164 Å²	164	145.4 Å²	145.4	86%	0.859	78%	0.783	S	S	*	*			trans	-40.3	119.3	158.8	-61.3	162.6	0	0	0	112.7
178	N	49	Very low	45.7	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	79%	0.786	S	S	*	*			trans	-101.9	98.4	150.6	-82.6	-9	0	0	0	107.6	K176 I180	K176-N178 PolarHBondContact O-N 3.2Å; N178-I180 PolarHBondContact O-N 3.45Å; N178-I180 VanDerWaalsContact O-N 3.1Å
179	S	37.1	Very low	45.5	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	78%	0.783	S	S	*	*			trans	-69.7	93.7	172.3	52.9	0	0	0	0	109.8	T181	S179-T181 PolarHBondContact O-N 3.32Å
180	I	42.8	Very low	45.6	Very low	159 Å²	159	143.2 Å²	143.2	82%	0.815	78%	0.781	S	S	*	*			trans	-90.5	92.6	160.8	-65.6	174.5	0	0	0	106.4	N178 D182	N178-I180 PolarHBondContact O-N 3.45Å; N178-I180 VanDerWaalsContact O-N 3.1Å; I180-D182 PolarHBondContact O-N 3.24Å
181	T	44.4	Very low	44.9	Very low	129 Å²	129	143.2 Å²	143.2	79%	0.791	78%	0.783	S	S	*	*			trans	-70.7	101.4	165.6	48.6	0	0	0	0	108.3	S179	S179-T181 PolarHBondContact O-N 3.32Å
182	D	41.4	Very low	45	Very low	125 Å²	125	144.7 Å²	144.7	67%	0.668	79%	0.788	S	S	*	*			trans	-141.7	86.9	161.9	-162.5	8.7	0	0	0	112	I180 R184	I180-D182 PolarHBondContact O-N 3.24Å; D182-R184 PolarHBondContact O-N 2.94Å
183	S	38.6	Very low	44.7	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	79%	0.789	S	S	*	*				29.3	59.3	128.1	-45.2	0	0	0	0	119.3
184	R	49.7	Very low	44.9	Very low	216 Å²	216	145.2 Å²	145.2	82%	0.815	79%	0.788	S	S	*	*			trans	-128.1	59.2	151.5	-68.5	-170.6	-179.6	172.2	2.4	111.7	D182 R186	D182-R184 PolarHBondContact O-N 2.94Å; R184-R186 PolarHBondContact O-N 3.38Å
185	K	43.7	Very low	45.3	Very low	172 Å²	172	145.2 Å²	145.2	75%	0.748	78%	0.781	S	S	*	*			trans	-69.9	64.8	156.6	-149.5	175.9	-172.6	-174.9	0	108.3	F187	K185-F187 HydrophobicContact CD-CD2 4.31Å; K185-F187 HydrophobicContact CD-CE2 3.49Å; K185-F187 VanDerWaalsContact CD-CE2 3.49Å; K185-F187 HydrophobicContact CD-CZ 3.97Å; K185-F187 VanDerWaalsContact CE-CZ 3.41Å; K185-F187 HydrophobicContact CG-CD2 3.91Å; K185-F187 HydrophobicContact CG-CE2 3.58Å; K185-F187 HydrophobicContact CG-CZ 4.22Å; K185-F187 PolarHBondContact O-N 2.93Å
186	R	44.5	Very low	45.8	Very low	221 Å²	221	148 Å²	148	83%	0.834	78%	0.781	S	S	*	*			trans	-75.1	86.9	164.5	-77.8	-158.4	174.3	-174.1	-0.6	106.3	R184 C188	R184-R186 PolarHBondContact O-N 3.38Å; R186-C188 PolarHBondContact O-N 2.81Å; R186-C188 VanDerWaalsContact O-N 3.1Å
187	F	45.4	Very low	46.2	Very low	149 Å²	149	144.9 Å²	144.9	65%	0.654	77%	0.773	S	S	*	*			trans	-50.5	115.3	163.7	-80.9	-87.5	0	0	0	108	K185 S189	K185-F187 HydrophobicContact CD-CD2 4.31Å; K185-F187 HydrophobicContact CD-CE2 3.49Å; K185-F187 VanDerWaalsContact CD-CE2 3.49Å; K185-F187 HydrophobicContact CD-CZ 3.97Å; K185-F187 VanDerWaalsContact CE-CZ 3.41Å; K185-F187 HydrophobicContact CG-CD2 3.91Å; K185-F187 HydrophobicContact CG-CE2 3.58Å; K185-F187 HydrophobicContact CG-CZ 4.22Å; K185-F187 PolarHBondContact O-N 2.93Å; F187-S189 PolarHBondContact O-N 2.71Å
188	C	46	Very low	46.8	Very low	124 Å²	124	143 Å²	143	84%	0.838	77%	0.771	S	S	*	*			trans	-58.2	93.1	164.9	-68.5	0	0	0	0	107.6	R186 I190	R186-C188 PolarHBondContact O-N 2.81Å; R186-C188 VanDerWaalsContact O-N 3.1Å; C188-I190 PolarHBondContact O-N 3.21Å
189	S	42	Very low	46.9	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	80%	0.797	S	S	*	*			trans	-79.5	107.7	168.8	-58.7	0	0	0	0	106.2	F187	F187-S189 PolarHBondContact O-N 2.71Å
190	I	50.2	Low	47.4	Very low	146 Å²	146	147.4 Å²	147.4	75%	0.749	80%	0.801	S	S	*	*			trans	-71.8	124.9	174.6	-59.6	170.7	0	0	0	106.7	C188 T192	C188-I190 PolarHBondContact O-N 3.21Å; I190-T192 PolarHBondContact O-N 2.7Å
191	P	48.3	Very low	47.6	Very low	119 Å²	119	146.8 Å²	146.8	77%	0.773	80%	0.8	S	S	*	*			trans	-70.4	113.4	177.8	27.6	-31.2	0	0	0	109.4	N193	P191-N193 PolarHBondContact O-N 2.89Å
192	T	58.6	Low	47.8	Very low	132 Å²	132	147.8 Å²	147.8	81%	0.81	80%	0.801	S	S	*	*			trans	-74.2	107.8	165.9	51.7	0	0	0	0	107.9	I190 S194	I190-T192 PolarHBondContact O-N 2.7Å; T192-S194 PolarHBondContact O-N 3.35Å
193	N	49	Very low	48.2	Very low	159 Å²	159	149.1 Å²	149.1	85%	0.85	81%	0.808	S	S	*	*			trans	-66.6	101.5	167.1	-110	-29.2	0	0	0	107.8	P191 I195	P191-N193 PolarHBondContact O-N 2.89Å; N193-I195 PolarHBondContact O-N 3.18Å
194	S	48.4	Very low	48.8	Very low	104 Å²	104	151.5 Å²	151.5	73%	0.727	81%	0.81	S	S	*	*			trans	-74.7	105.3	171.2	-165.8	0	0	0	0	107.8	T192 H196	T192-S194 PolarHBondContact O-N 3.35Å; S194-H196 PolarHBondContact O-N 2.73Å; S194-H196 VanDerWaalsContact O-N 3.15Å
195	I	51.7	Low	48.7	Very low	136 Å²	136	147.2 Å²	147.2	70%	0.697	81%	0.81	S	S	*	*			trans	-64.8	110.3	168.4	-67.4	160.7	0	0	0	106	N193 D197	N193-I195 PolarHBondContact O-N 3.18Å; I195-D197 PolarHBondContact O-N 2.68Å
196	H	51.2	Low	49.1	Very low	176 Å²	176	145.4 Å²	145.4	82%	0.815	81%	0.814	S	S	*	*			trans	-73.2	104	163.6	-102.4	-12.7	0	0	0	106.8	S194 P198	S194-H196 PolarHBondContact O-N 2.73Å; S194-H196 VanDerWaalsContact O-N 3.15Å; H196-P198 WeakPolarHBondContact O-CD 3.46Å
197	D	48.3	Very low	49.4	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	81%	0.813	S	S	*	*			trans	-67.9	119.6	162.9	-68.1	-43.6	0	0	0	108.1	I195 C199	I195-D197 PolarHBondContact O-N 2.68Å; D197-C199 PolarHBondContact O-N 2.93Å
198	P	53	Low	49.8	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	83%	0.826	S	S	*	*			trans	-74.6	122	170.9	30.3	-29.3	0	0	0	108.5	H196	H196-P198 WeakPolarHBondContact O-CD 3.46Å
199	C	50.5	Low	50.1	Low	203 Å²	203	140.2 Å²	140.2	100%	1.372	83%	0.825	S	S	*	*			trans	-96.8	0	156.6	-75	0	0	0	0	108.9	D197	D197-C199 PolarHBondContact O-N 2.93Å

Retrieved 199 of 199 residues in 137.8 ms (Link to these results)

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