A0A087XT80_POEFO Loading...

Cell death inducing DFFA like effector b

AlphaFold DB , UniProt , Accession A0A087XT80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	46.5	Very low	229 Å²	229	145.1 Å²	145.1	100%	1.128	80%	0.798	S	S	*	*				0	84.9	0	-111.4	171.8	141.4	0	0	103.4
2	D	35.7	Very low	46.9	Very low	151 Å²	151	142.7 Å²	142.7	81%	0.807	79%	0.791	S	S	*	*			trans	-122.3	95.1	-164.1	-58.6	-76.8	0	0	0	107.3	T4	D2-T4 PolarHBondContact O-N 2.91Å
3	S	45.9	Very low	47.5	Very low	120 Å²	120	146.7 Å²	146.7	84%	0.839	80%	0.795	S	S	*	*			trans	-80	102.5	177.1	-61.5	0	0	0	0	109.3	S5	S3-S5 PolarHBondContact O-N 3.43Å
4	T	47	Very low	47.8	Very low	133 Å²	133	148.7 Å²	148.7	82%	0.816	79%	0.786	S	S	*	*			trans	-93.9	85.1	168.9	45.1	0	0	0	0	109.6	D2 S6	D2-T4 PolarHBondContact O-N 2.91Å; T4-S6 PolarHBondContact O-N 3.07Å
5	S	46	Very low	48.4	Very low	94 Å²	94	146.7 Å²	146.7	66%	0.657	78%	0.781	S	S	*	*			trans	-76.6	96.2	169.3	58.1	0	0	0	0	109.8	S3 F7	S3-S5 PolarHBondContact O-N 3.43Å; S5-F7 VanDerWaalsContact C-N 3.33Å; S5-F7 PolarHBondContact O-N 2.93Å
6	S	48.8	Very low	48.7	Very low	94 Å²	94	153.1 Å²	153.1	66%	0.657	79%	0.791	S	S	*	*			trans	-76.5	85	168.1	44.3	0	0	0	0	110.1	T4 F8	T4-S6 PolarHBondContact O-N 3.07Å; S6-F8 PolarHBondContact O-N 2.86Å
7	F	45.1	Very low	49.3	Very low	180 Å²	180	147.3 Å²	147.3	79%	0.789	77%	0.767	S	S	*	*			trans	-69.4	95.1	164.4	-96.3	-91.9	0	0	0	109.1	S5 K9	S5-F7 VanDerWaalsContact C-N 3.33Å; S5-F7 PolarHBondContact O-N 2.93Å; F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 PolarHBondContact O-N 2.72Å
8	F	52.7	Low	50.2	Low	184 Å²	184	142.9 Å²	142.9	81%	0.807	75%	0.749	S	S	*	*			trans	-70.3	91	163.5	-70.1	-78.7	0	0	0	108.8	S6 S10	S6-F8 PolarHBondContact O-N 2.86Å; F8-S10 VanDerWaalsContact C-N 3.31Å; F8-S10 PolarHBondContact O-N 3.24Å; F8-S10 VanDerWaalsContact O-N 3.12Å
9	K	47.2	Very low	51.6	Low	183 Å²	183	140.8 Å²	140.8	80%	0.796	75%	0.745	S	S	*	*			trans	-74.2	87.9	159.9	-86.1	-178.4	174.2	175.6	0	108	F7 V11	F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 PolarHBondContact O-N 2.72Å; K9-V11 VanDerWaalsContact C-N 3.34Å; K9-V11 PolarHBondContact O-N 2.92Å; K9-V11 VanDerWaalsContact O-N 3.11Å
10	S	49.1	Very low	53.2	Low	107 Å²	107	137.4 Å²	137.4	75%	0.748	72%	0.724	S	S	*	*			trans	-76.5	92.1	162.7	56.4	0	0	0	0	108.6	F8 T12	F8-S10 VanDerWaalsContact C-N 3.31Å; F8-S10 PolarHBondContact O-N 3.24Å; F8-S10 VanDerWaalsContact O-N 3.12Å; S10-T12 PolarHBondContact O-N 3.4Å
11	V	51.4	Low	54.7	Low	121 Å²	121	132.6 Å²	132.6	73%	0.733	70%	0.697	S	S	*	*			trans	-79.4	113.3	162.8	174.7	0	0	0	0	107	K9	K9-V11 VanDerWaalsContact C-N 3.34Å; K9-V11 PolarHBondContact O-N 2.92Å; K9-V11 VanDerWaalsContact O-N 3.11Å
12	T	51.5	Low	56.9	Low	116 Å²	116	125.8 Å²	125.8	71%	0.712	67%	0.67	S	S	*	*			trans	-125.2	94.4	161.3	40.7	0	0	0	0	109.6	S10 R14	S10-T12 PolarHBondContact O-N 3.4Å; T12-R14 PolarHBondContact O-N 3.32Å; T12-R14 VanDerWaalsContact O-N 3.12Å
13	K	54.7	Low	59.4	Low	195 Å²	195	119.2 Å²	119.2	85%	0.848	63%	0.634	S	S	*	*			trans	-51.2	111.8	147.8	-89.5	179.8	170.4	175.5	0	107.1
14	R	51.4	Low	61.6	Low	175 Å²	175	120 Å²	120	66%	0.66	62%	0.618	S	S	*	*			trans	-144	85.9	151.6	-137.5	179.7	-69.4	-177.5	0.3	110.8	T12 S17	T12-R14 PolarHBondContact O-N 3.32Å; T12-R14 VanDerWaalsContact O-N 3.12Å; R14-S17 WeakPolarHBondContact CD-OG 3.4Å; R14-S17 WeakPolarHBondContact CG-OG 3.45Å
15	V	56.6	Low	63.6	Low	118 Å²	118	113.7 Å²	113.7	72%	0.715	58%	0.58	S	S	*	*			trans	-71.9	113	165.5	163.8	0	0	0	0	105.4
16	W	53.8	Low	65.6	Low	249 Å²	249	109.2 Å²	109.2	94%	0.943	55%	0.548	S	S	*	.	S	Bend	trans	84.1	18.7	154.5	-58.6	49.6	0	0	0	121.3
17	S	59	Low	67.3	Low	55 Å²	55	106.1 Å²	106.1	39%	0.385	53%	0.526	S	S	.	.			trans	-107.1	140.6	168.7	57.4	0	0	0	0	111.4	R14	R14-S17 WeakPolarHBondContact CD-OG 3.4Å; R14-S17 WeakPolarHBondContact CG-OG 3.45Å
18	P	65.4	Low	69	Low	68 Å²	68	100 Å²	100	44%	0.442	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-50.5	144.9	174.7	-24.3	32	0	0	0	111.8	Q20 T40	P18-Q20 PolarHBondContact O-N 3.4Å; P18-Q20 VanDerWaalsContact O-N 3.1Å; P18-T40 HydrophobicContact CG-CG2 4.44Å
19	P	75.9	Confident	70.1	Confident	103 Å²	103	100.4 Å²	100.4	67%	0.669	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-59.8	118	179.8	25.3	-33	0	0	0	109.9	R21	P19-R21 PolarHBondContact O-N 3.48Å
20	Q	82.9	Confident	71.5	Confident	72 Å²	72	94.1 Å²	94.1	34%	0.336	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-76.1	117.9	-179	-72.3	-70.1	-43.3	0	0	109.3	P18 T37 E43	P18-Q20 PolarHBondContact O-N 3.4Å; P18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-T37 HydrophobicContact CB-CG2 3.81Å; Q20-E43 PolarHBondContact NE2-OE2 3.12Å
21	R	85.1	Confident	72.8	Confident	38 Å²	38	95.9 Å²	95.9	14%	0.143	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.6	-176.2	-173.7	175.1	-173.9	-158.9	7.7	111	P19 F23 T37 A38 L78 M79 L81 D83	P19-R21 PolarHBondContact O-N 3.48Å; R21-F23 HydrophobicContact CB-CE2 3.82Å; R21-F23 HydrophobicContact CB-CZ 3.8Å; R21-F23 HydrophobicContact CG-CE1 4.11Å; R21-F23 HydrophobicContact CG-CE2 4.17Å; R21-F23 HydrophobicContact CG-CZ 3.81Å; R21-F23 WeakPolarHBondContact O-CD2 3.4Å; R21-F23 VanDerWaalsContact O-CE2 3.3Å; R21-F23 WeakPolarHBondContact O-CE2 3.15Å; R21-T37 WeakPolarHBondContact O-CA 3.06Å; R21-A38 PolarHBondContact N-O 3Å; R21-A38 PolarHBondContact O-N 3.02Å; R21-L78 PolarHBondContact NH1-O 3.34Å; R21-L78 VanDerWaalsContact NH1-O 3.08Å; R21-M79 PolarHBondContact NH1-O 3.41Å; R21-M79 VanDerWaalsContact NH1-O 3.1Å; R21-L81 PolarHBondContact NH1-O 3Å; R21-L81 PolarHBondContact NH2-O 3.21Å; R21-D83 IonicContact CZ-OD1 3.2Å; R21-D83 IonicContact NE-OD1 3.33Å; R21-D83 PolarHBondContact NE-OD1 3.2Å; R21-D83 VanDerWaalsContact NE-OD1 3.16Å; R21-D83 IonicContact NH2-OD1 3.15Å; R21-D83 PolarHBondContact NH2-OD1 3.12Å
22	P	89.3	Confident	74	Confident	86 Å²	86	93 Å²	93	56%	0.558	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.7	175.2	31	-33	0	0	0	111.1
23	F	89.3	Confident	75.6	Confident	12 Å²	12	92.4 Å²	92.4	5%	0.053	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.9	176.8	-60.2	-77.4	0	0	0	110.5	R21 I25 G35 I36 A38 L44 L78	R21-F23 HydrophobicContact CB-CE2 3.82Å; R21-F23 HydrophobicContact CB-CZ 3.8Å; R21-F23 HydrophobicContact CG-CE1 4.11Å; R21-F23 HydrophobicContact CG-CE2 4.17Å; R21-F23 HydrophobicContact CG-CZ 3.81Å; R21-F23 WeakPolarHBondContact O-CD2 3.4Å; R21-F23 VanDerWaalsContact O-CE2 3.3Å; R21-F23 WeakPolarHBondContact O-CE2 3.15Å; F23-I25 HydrophobicContact CB-CD1 4.42Å; F23-G35 CarbonylContact O-C 3.5Å; F23-G35 WeakPolarHBondContact O-CA 3.45Å; F23-I36 PolarHBondContact N-O 3.44Å; F23-I36 PolarHBondContact O-N 3.08Å; F23-A38 HydrophobicContact CD2-CB 4.43Å; F23-A38 HydrophobicContact CE2-CB 4.39Å; F23-L44 HydrophobicContact CB-CD1 4.2Å; F23-L44 HydrophobicContact CD2-CD1 3.87Å; F23-L44 HydrophobicContact CD2-CD2 4.26Å; F23-L44 HydrophobicContact CG-CD1 4.33Å; F23-L44 HydrophobicContact CG-CD2 4.43Å; F23-L78 HydrophobicContact CD1-CD1 3.96Å; F23-L78 HydrophobicContact CE1-CD1 3.53Å; F23-L78 HydrophobicContact CE1-CD2 4.46Å; F23-L78 HydrophobicContact CE1-CG 3.79Å; F23-L78 HydrophobicContact CE2-CD1 4.45Å; F23-L78 HydrophobicContact CE2-CD2 4.15Å; F23-L78 HydrophobicContact CE2-CG 4.35Å; F23-L78 HydrophobicContact CZ-CD1 3.8Å; F23-L78 HydrophobicContact CZ-CD2 3.87Å; F23-L78 HydrophobicContact CZ-CG 3.61Å
24	R	90.3	Very high	77.1	Confident	137 Å²	137	88.2 Å²	88.2	52%	0.517	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.8	174.1	-62.3	179.1	73	157	2.6	108.5	V86 L87	R24-V86 HydrophobicContact CB-CG2 4.2Å; R24-V86 WeakPolarHBondContact O-CA 3.42Å; R24-L87 PolarHBondContact O-N 3.48Å
25	I	89.6	Confident	78.9	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.6	178.2	-64.6	123.5	0	0	0	110.9	F23 K33 K34 I36 L44 V48 L52 L87 A89	F23-I25 HydrophobicContact CB-CD1 4.42Å; I25-K33 CarbonylContact O-C 3.58Å; I25-K33 WeakPolarHBondContact O-CA 3.48Å; I25-K34 PolarHBondContact N-O 3.31Å; I25-K34 PolarHBondContact O-N 3.4Å; I25-I36 HydrophobicContact CD1-CB 3.62Å; I25-I36 HydrophobicContact CD1-CD1 3.65Å; I25-I36 HydrophobicContact CD1-CG1 3.68Å; I25-I36 HydrophobicContact CD1-CG2 4.46Å; I25-L44 HydrophobicContact CD1-CD1 3.59Å; I25-L44 HydrophobicContact CD1-CG 4.35Å; I25-V48 HydrophobicContact CB-CG2 4.31Å; I25-V48 HydrophobicContact CD1-CG2 3.35Å; I25-V48 HydrophobicContact CG1-CG2 3.81Å; I25-V48 HydrophobicContact CG2-CG1 4.22Å; I25-V48 HydrophobicContact CG2-CG2 4.02Å; I25-L52 HydrophobicContact CG2-CD1 4.1Å; I25-L87 CarbonylContact C-O 3.54Å; I25-L87 WeakPolarHBondContact CA-O 3.43Å; I25-L87 HydrophobicContact CG1-CB 4.2Å; I25-A89 HydrophobicContact CG2-CB 4.09Å
26	C	87.8	Confident	80.4	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.7	171.7	67.4	0	0	0	0	112.3	T32 K33 V86 L87 M88 A89	C26-T32 VanDerWaalsContact CA-O 3.26Å; C26-T32 WeakPolarHBondContact CA-O 3.35Å; C26-K33 HydrophobicContact CB-CG 4.05Å; C26-V86 HydrophobicContact CB-CG1 4.2Å; C26-L87 PolarHBondContact N-O 2.77Å; C26-L87 PolarHBondContact SG-O 2.92Å; C26-M88 WeakPolarHBondContact O-CA 2.96Å; C26-A89 PolarHBondContact O-N 3.15Å
27	C	84.1	Confident	82.1	Confident	29 Å²	29	69.7 Å²	69.7	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	160.4	166.7	-80.3	0	0	0	0	111.2	R29 R30 T32 L52	C27-R29 PolarHBondContact O-N 3.35Å; C27-R29 VanDerWaalsContact O-N 3.15Å; C27-R30 WeakPolarHBondContact O-CA 3.44Å; C27-R30 PolarHBondContact O-N 2.99Å; C27-T32 PolarHBondContact N-O 3.44Å; C27-T32 PolarHBondContact SG-OG1 3.07Å; C27-L52 VanDerWaalsContact SG-CD2 3.57Å
28	N	81.8	Confident	83.4	Confident	51 Å²	51	67 Å²	67	27%	0.273	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-39.5	172.7	-177.1	25.9	0	0	0	113.8	R30 L90 Q94	N28-R30 PolarHBondContact O-N 3.27Å; N28-L90 HydrophobicContact CB-CD2 3.92Å; N28-Q94 VanDerWaalsContact CB-OE1 3.3Å; N28-Q94 PolarHBondContact ND2-OE1 3.26Å
29	R	75.3	Confident	84.3	Confident	194 Å²	194	64 Å²	64	73%	0.732	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.9	177.7	-55.8	-177.7	91.5	103.4	0.3	114.1	C27 E31	C27-R29 PolarHBondContact O-N 3.35Å; C27-R29 VanDerWaalsContact O-N 3.15Å; R29-E31 HydrophobicContact CB-CB 4.5Å; R29-E31 HydrophobicContact CB-CG 3.94Å; R29-E31 WeakPolarHBondContact CD-OE1 3.34Å; R29-E31 IonicContact NE-OE1 3.36Å; R29-E31 PolarHBondContact NE-OE1 3.07Å; R29-E31 PolarHBondContact O-N 2.87Å
30	R	77.8	Confident	84.8	Confident	51 Å²	51	60.8 Å²	60.8	19%	0.192	31%	0.306	C	S	.	.	S	Bend	trans	56.4	11.1	-175.4	-54.8	177.2	-172.8	-122.1	-0.3	115	C27 N28 E66 M88 K97	C27-R30 WeakPolarHBondContact O-CA 3.44Å; C27-R30 PolarHBondContact O-N 2.99Å; N28-R30 PolarHBondContact O-N 3.27Å; R30-E66 IonicContact CZ-OE1 3.89Å; R30-E66 IonicContact NH1-OE1 2.97Å; R30-E66 PolarHBondContact NH1-OE1 2.65Å; R30-E66 PolarHBondContact NH2-O 2.68Å; R30-M88 HydrophobicContact CG-CE 3.63Å; R30-K97 PolarHBondContact NH2-O 3.14Å
31	E	74.8	Confident	84.9	Confident	144 Å²	144	57.9 Å²	57.9	67%	0.673	29%	0.293	S	S	*	.			trans	-73.6	-34.9	-178.3	-71	168.2	-158.5	0	0	112.5	R29	R29-E31 HydrophobicContact CB-CB 4.5Å; R29-E31 HydrophobicContact CB-CG 3.94Å; R29-E31 WeakPolarHBondContact CD-OE1 3.34Å; R29-E31 IonicContact NE-OE1 3.36Å; R29-E31 PolarHBondContact NE-OE1 3.07Å; R29-E31 PolarHBondContact O-N 2.87Å
32	T	76.4	Confident	85	Confident	60 Å²	60	63.5 Å²	63.5	37%	0.368	32%	0.321	S	S	.	.			trans	-118.3	130.4	-178.1	54.3	0	0	0	0	110.4	C26 C27	C26-T32 VanDerWaalsContact CA-O 3.26Å; C26-T32 WeakPolarHBondContact CA-O 3.35Å; C27-T32 PolarHBondContact N-O 3.44Å; C27-T32 PolarHBondContact SG-OG1 3.07Å
33	K	86.8	Confident	85	Confident	104 Å²	104	61.6 Å²	61.6	45%	0.452	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.4	171.3	-60.3	-165.4	179.2	-156.9	0	108.8	I25 C26 E66	I25-K33 CarbonylContact O-C 3.58Å; I25-K33 WeakPolarHBondContact O-CA 3.48Å; C26-K33 HydrophobicContact CB-CG 4.05Å; K33-E66 IonicContact NZ-OE1 3.16Å; K33-E66 PolarHBondContact NZ-OE1 3.14Å; K33-E66 IonicContact NZ-OE2 2.68Å; K33-E66 PolarHBondContact NZ-OE2 3.22Å; K33-E66 VanDerWaalsContact NZ-OE2 3.15Å
34	K	86.1	Confident	85	Confident	107 Å²	107	61 Å²	61	47%	0.465	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141	-179.4	-65.7	-67.8	-173.3	175	0	109.7	I25 L52	I25-K34 PolarHBondContact N-O 3.31Å; I25-K34 PolarHBondContact O-N 3.4Å; K34-L52 HydrophobicContact CG-CD2 4.05Å
35	G	89	Confident	84.9	Confident	69 Å²	69	56.6 Å²	56.6	71%	0.711	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	126	170.1	0	0	0	0	0	109.3	F23	F23-G35 CarbonylContact O-C 3.5Å; F23-G35 WeakPolarHBondContact O-CA 3.45Å
36	I	87.9	Confident	84.9	Confident	13 Å²	13	61.7 Å²	61.7	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.2	-179.5	-57.2	-167	0	0	0	108.4	F23 I25 L44 R47 V48 A51	F23-I36 PolarHBondContact N-O 3.44Å; F23-I36 PolarHBondContact O-N 3.08Å; I25-I36 HydrophobicContact CD1-CB 3.62Å; I25-I36 HydrophobicContact CD1-CD1 3.65Å; I25-I36 HydrophobicContact CD1-CG1 3.68Å; I25-I36 HydrophobicContact CD1-CG2 4.46Å; I36-L44 HydrophobicContact CB-CD1 4.25Å; I36-L44 HydrophobicContact CG2-CD1 3.97Å; I36-R47 HydrophobicContact CD1-CB 4.32Å; I36-R47 HydrophobicContact CG2-CB 3.38Å; I36-R47 HydrophobicContact CG2-CG 4.12Å; I36-V48 HydrophobicContact CD1-CB 4.27Å; I36-V48 HydrophobicContact CD1-CG2 3.69Å; I36-A51 HydrophobicContact CD1-CB 3.52Å; I36-A51 HydrophobicContact CG1-CB 4.3Å
37	T	89.1	Confident	84.9	Confident	70 Å²	70	67.2 Å²	67.2	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.6	173.3	-52.1	0	0	0	0	108.8	Q20 R21	Q20-T37 HydrophobicContact CB-CG2 3.81Å; R21-T37 WeakPolarHBondContact O-CA 3.06Å
38	A	87	Confident	85	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.6	176.2	0	0	0	0	0	110.6	R21 F23 E43 L44	R21-A38 PolarHBondContact N-O 3Å; R21-A38 PolarHBondContact O-N 3.02Å; F23-A38 HydrophobicContact CD2-CB 4.43Å; F23-A38 HydrophobicContact CE2-CB 4.39Å; A38-E43 HydrophobicContact CB-CB 4.26Å; A38-E43 HydrophobicContact CB-CG 4.07Å; A38-L44 HydrophobicContact CB-CB 3.74Å; A38-L44 HydrophobicContact CB-CD1 3.83Å; A38-L44 HydrophobicContact CB-CG 4.4Å
39	G	83	Confident	85.2	Confident	4 Å²	4	64.1 Å²	64.1	4%	0.041	31%	0.313	C	S	.	.	S	Bend	trans	-100	-21.2	172.2	0	0	0	0	0	114	E43 M79	G39-E43 PolarHBondContact N-OE2 3.41Å; G39-M79 WeakPolarHBondContact O-CE 3.49Å
40	T	86.6	Confident	85.6	Confident	36 Å²	36	59.8 Å²	59.8	22%	0.221	30%	0.302	C	S	.	.	S	Bend	trans	-135.5	160.3	179.5	64.2	0	0	0	0	110.8	P18 E42 E43 L44	P18-T40 HydrophobicContact CG-CG2 4.44Å; T40-E42 VanDerWaalsContact C-N 3.29Å; T40-E42 PolarHBondContact O-N 3.41Å; T40-E43 PolarHBondContact O-N 2.9Å; T40-E43 WeakPolarHBondContact OG1-CB 3.23Å; T40-E43 PolarHBondContact OG1-N 2.84Å; T40-L44 WeakPolarHBondContact O-CB 3.48Å; T40-L44 PolarHBondContact O-N 2.89Å
41	L	86.9	Confident	85.8	Confident	11 Å²	11	59.3 Å²	59.3	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-36.5	177	-176.5	64.9	0	0	0	111.6	L44 K45 L63 V72 D75 L78	L41-L44 WeakPolarHBondContact O-CB 3.35Å; L41-L44 PolarHBondContact O-N 3.1Å; L41-K45 WeakPolarHBondContact O-CG 3.33Å; L41-K45 PolarHBondContact O-N 2.73Å; L41-L63 HydrophobicContact CD1-CD1 3.67Å; L41-V72 HydrophobicContact CD1-CG1 3.75Å; L41-D75 WeakPolarHBondContact CA-OD1 3.42Å; L41-D75 WeakPolarHBondContact CB-OD1 3.41Å; L41-D75 PolarHBondContact N-OD1 3.1Å; L41-L78 HydrophobicContact CB-CD2 4.34Å; L41-L78 HydrophobicContact CD1-CD2 4.29Å
42	E	87.1	Confident	85.9	Confident	155 Å²	155	53.5 Å²	53.5	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-63.2	-48.9	175.9	-65.2	172.8	173.8	0	0	111.2	T40 L44 K45 E46	T40-E42 VanDerWaalsContact C-N 3.29Å; T40-E42 PolarHBondContact O-N 3.41Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 2.96Å; E42-K45 PolarHBondContact O-N 3.06Å; E42-E46 PolarHBondContact O-N 3.02Å; E42-E46 VanDerWaalsContact O-N 3.07Å
43	E	88.5	Confident	85.8	Confident	46 Å²	46	57.8 Å²	57.8	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-41.6	174.6	-179.4	178.2	-159.5	0	0	110.3	Q20 A38 G39 T40 E46 R47	Q20-E43 PolarHBondContact NE2-OE2 3.12Å; A38-E43 HydrophobicContact CB-CB 4.26Å; A38-E43 HydrophobicContact CB-CG 4.07Å; G39-E43 PolarHBondContact N-OE2 3.41Å; T40-E43 PolarHBondContact O-N 2.9Å; T40-E43 WeakPolarHBondContact OG1-CB 3.23Å; T40-E43 PolarHBondContact OG1-N 2.84Å; E43-E46 PolarHBondContact O-N 3.19Å; E43-R47 HydrophobicContact CG-CG 4.26Å; E43-R47 WeakPolarHBondContact O-CB 3.43Å; E43-R47 WeakPolarHBondContact O-CG 3.23Å; E43-R47 PolarHBondContact O-N 3.49Å
44	L	89.3	Confident	85.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-48.5	177.6	-171.6	62.8	0	0	0	111.3	F23 I25 I36 A38 T40 L41 E42 E46 R47 V48 L63 L78 L87	F23-L44 HydrophobicContact CB-CD1 4.2Å; F23-L44 HydrophobicContact CD2-CD1 3.87Å; F23-L44 HydrophobicContact CD2-CD2 4.26Å; F23-L44 HydrophobicContact CG-CD1 4.33Å; F23-L44 HydrophobicContact CG-CD2 4.43Å; I25-L44 HydrophobicContact CD1-CD1 3.59Å; I25-L44 HydrophobicContact CD1-CG 4.35Å; I36-L44 HydrophobicContact CB-CD1 4.25Å; I36-L44 HydrophobicContact CG2-CD1 3.97Å; A38-L44 HydrophobicContact CB-CB 3.74Å; A38-L44 HydrophobicContact CB-CD1 3.83Å; A38-L44 HydrophobicContact CB-CG 4.4Å; T40-L44 WeakPolarHBondContact O-CB 3.48Å; T40-L44 PolarHBondContact O-N 2.89Å; L41-L44 WeakPolarHBondContact O-CB 3.35Å; L41-L44 PolarHBondContact O-N 3.1Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 2.96Å; L44-E46 PolarHBondContact O-N 3.2Å; L44-R47 PolarHBondContact O-N 3.04Å; L44-V48 HydrophobicContact CD1-CG2 4.41Å; L44-V48 HydrophobicContact CG-CG2 4.34Å; L44-V48 VanDerWaalsContact O-CB 3.3Å; L44-V48 WeakPolarHBondContact O-CB 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.46Å; L44-V48 PolarHBondContact O-N 3.39Å; L44-L63 HydrophobicContact CD2-CD1 3.77Å; L44-L63 HydrophobicContact CG-CD1 4.04Å; L44-L78 HydrophobicContact CD2-CD1 3.82Å; L44-L78 HydrophobicContact CD2-CD2 3.87Å; L44-L87 HydrophobicContact CD2-CD1 3.92Å
45	K	88.8	Confident	84.1	Confident	45 Å²	45	56.6 Å²	56.6	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-43.1	179.2	-75.4	177.6	178.8	-173.8	0	112	L41 E42 V48 C49 A58 V61 L63	L41-K45 WeakPolarHBondContact O-CG 3.33Å; L41-K45 PolarHBondContact O-N 2.73Å; E42-K45 PolarHBondContact O-N 3.06Å; K45-V48 PolarHBondContact O-N 3.47Å; K45-C49 PolarHBondContact O-N 3.19Å; K45-C49 PolarHBondContact O-SG 2.97Å; K45-A58 HydrophobicContact CB-CB 4.37Å; K45-V61 WeakPolarHBondContact CE-O 3.48Å; K45-L63 HydrophobicContact CG-CD1 3.85Å; K45-L63 HydrophobicContact CG-CG 4.36Å
46	E	88.2	Confident	83.2	Confident	106 Å²	106	55.5 Å²	55.5	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-48.8	177.5	-172.4	-176.1	-173	0	0	111.7	E42 E43 L44 V48 C49 Q50 A58	E42-E46 PolarHBondContact O-N 3.02Å; E42-E46 VanDerWaalsContact O-N 3.07Å; E43-E46 PolarHBondContact O-N 3.19Å; L44-E46 PolarHBondContact O-N 3.2Å; E46-V48 VanDerWaalsContact C-N 3.3Å; E46-V48 PolarHBondContact O-N 2.84Å; E46-C49 WeakPolarHBondContact O-CB 3.01Å; E46-C49 PolarHBondContact O-N 2.83Å; E46-Q50 WeakPolarHBondContact O-CG 3.19Å; E46-Q50 PolarHBondContact O-N 3.39Å; E46-Q50 VanDerWaalsContact O-N 3.08Å; E46-A58 HydrophobicContact CB-CB 4.41Å
47	R	87.5	Confident	82.4	Confident	116 Å²	116	58.5 Å²	58.5	44%	0.438	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-35.9	178.9	-66	-67.8	-171.7	176.5	1.7	112.1	I36 E43 L44 Q50 A51	I36-R47 HydrophobicContact CD1-CB 4.32Å; I36-R47 HydrophobicContact CG2-CB 3.38Å; I36-R47 HydrophobicContact CG2-CG 4.12Å; E43-R47 HydrophobicContact CG-CG 4.26Å; E43-R47 WeakPolarHBondContact O-CB 3.43Å; E43-R47 WeakPolarHBondContact O-CG 3.23Å; E43-R47 PolarHBondContact O-N 3.49Å; L44-R47 PolarHBondContact O-N 3.04Å; R47-Q50 PolarHBondContact O-N 2.88Å; R47-A51 WeakPolarHBondContact O-CB 3.46Å; R47-A51 PolarHBondContact O-N 3.24Å
48	V	88.1	Confident	81.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-46.7	174.1	166	0	0	0	0	110.6	I25 I36 L44 K45 E46 Q50 A51 L52 V61 L63 A89	I25-V48 HydrophobicContact CB-CG2 4.31Å; I25-V48 HydrophobicContact CD1-CG2 3.35Å; I25-V48 HydrophobicContact CG1-CG2 3.81Å; I25-V48 HydrophobicContact CG2-CG1 4.22Å; I25-V48 HydrophobicContact CG2-CG2 4.02Å; I36-V48 HydrophobicContact CD1-CB 4.27Å; I36-V48 HydrophobicContact CD1-CG2 3.69Å; L44-V48 HydrophobicContact CD1-CG2 4.41Å; L44-V48 HydrophobicContact CG-CG2 4.34Å; L44-V48 VanDerWaalsContact O-CB 3.3Å; L44-V48 WeakPolarHBondContact O-CB 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.46Å; L44-V48 PolarHBondContact O-N 3.39Å; K45-V48 PolarHBondContact O-N 3.47Å; E46-V48 VanDerWaalsContact C-N 3.3Å; E46-V48 PolarHBondContact O-N 2.84Å; V48-Q50 VanDerWaalsContact C-N 3.3Å; V48-Q50 PolarHBondContact O-N 3.31Å; V48-A51 PolarHBondContact O-N 2.66Å; V48-L52 HydrophobicContact CG1-CD1 3.74Å; V48-L52 HydrophobicContact CG1-CG 4.32Å; V48-L52 WeakPolarHBondContact O-CB 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.2Å; V48-L52 PolarHBondContact O-N 3.45Å; V48-V61 HydrophobicContact CG1-CG1 4.44Å; V48-L63 HydrophobicContact CG2-CD2 4.4Å; V48-A89 HydrophobicContact CG1-CB 3.52Å
49	C	84.8	Confident	80.6	Confident	15 Å²	15	60.6 Å²	60.6	10%	0.101	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-44.9	176.9	-64.6	0	0	0	0	111.2	K45 E46 L53 L54 V61	K45-C49 PolarHBondContact O-N 3.19Å; K45-C49 PolarHBondContact O-SG 2.97Å; E46-C49 WeakPolarHBondContact O-CB 3.01Å; E46-C49 PolarHBondContact O-N 2.83Å; C49-L53 WeakPolarHBondContact O-CA 3.11Å; C49-L53 PolarHBondContact O-N 3.37Å; C49-L54 PolarHBondContact O-N 3.01Å; C49-V61 WeakPolarHBondContact SG-CG2 3.3Å
50	Q	83.7	Confident	80.3	Confident	104 Å²	104	62.7 Å²	62.7	49%	0.486	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-44.1	176.6	-68.4	175.4	2	0	0	112.4	E46 R47 V48 L53	E46-Q50 WeakPolarHBondContact O-CG 3.19Å; E46-Q50 PolarHBondContact O-N 3.39Å; E46-Q50 VanDerWaalsContact O-N 3.08Å; R47-Q50 PolarHBondContact O-N 2.88Å; V48-Q50 VanDerWaalsContact C-N 3.3Å; V48-Q50 PolarHBondContact O-N 3.31Å; Q50-L53 PolarHBondContact O-N 2.82Å
51	A	81.6	Confident	80.1	Confident	40 Å²	40	61 Å²	61	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-76	-30	-174	0	0	0	0	0	113.8	I36 R47 V48	I36-A51 HydrophobicContact CD1-CB 3.52Å; I36-A51 HydrophobicContact CG1-CB 4.3Å; R47-A51 WeakPolarHBondContact O-CB 3.46Å; R47-A51 PolarHBondContact O-N 3.24Å; V48-A51 PolarHBondContact O-N 2.66Å
52	L	77.3	Confident	80.1	Confident	23 Å²	23	65.9 Å²	65.9	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-96.4	0.7	177.3	-60.7	-176.7	0	0	0	112.6	I25 C27 K34 V48 L54 A89	I25-L52 HydrophobicContact CG2-CD1 4.1Å; C27-L52 VanDerWaalsContact SG-CD2 3.57Å; K34-L52 HydrophobicContact CG-CD2 4.05Å; V48-L52 HydrophobicContact CG1-CD1 3.74Å; V48-L52 HydrophobicContact CG1-CG 4.32Å; V48-L52 WeakPolarHBondContact O-CB 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.2Å; V48-L52 PolarHBondContact O-N 3.45Å; L52-L54 HydrophobicContact CB-CD1 4.28Å; L52-L54 HydrophobicContact CB-CD2 4.08Å; L52-L54 HydrophobicContact CB-CG 3.83Å; L52-L54 HydrophobicContact CD1-CD1 4.45Å; L52-L54 PolarHBondContact O-N 3.24Å; L52-A89 HydrophobicContact CD1-CB 3.62Å
53	L	75.1	Confident	80.2	Confident	150 Å²	150	58.6 Å²	58.6	79%	0.785	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.4	-178.3	-58.1	172.6	0	0	0	112.4	C49 Q50	C49-L53 WeakPolarHBondContact O-CA 3.11Å; C49-L53 PolarHBondContact O-N 3.37Å; Q50-L53 PolarHBondContact O-N 2.82Å
54	L	72.4	Confident	80.2	Confident	36 Å²	36	56.9 Å²	56.9	19%	0.188	32%	0.316	C	S	.	.			trans	-74.4	129.6	178.5	-55.5	177.2	0	0	0	108.9	C49 L52 I56 V61 E91	C49-L54 PolarHBondContact O-N 3.01Å; L52-L54 HydrophobicContact CB-CD1 4.28Å; L52-L54 HydrophobicContact CB-CD2 4.08Å; L52-L54 HydrophobicContact CB-CG 3.83Å; L52-L54 HydrophobicContact CD1-CD1 4.45Å; L52-L54 PolarHBondContact O-N 3.24Å; L54-I56 PolarHBondContact O-N 3.47Å; L54-I56 VanDerWaalsContact O-N 3.1Å; L54-V61 HydrophobicContact CD1-CG2 4.1Å; L54-E91 HydrophobicContact CD2-CG 4.42Å
55	T	64.9	Low	80.2	Confident	149 Å²	149	57.2 Å²	57.2	91%	0.914	32%	0.318	S	S	*	.	S	Bend	trans	-76.1	10.5	175.9	-41.2	0	0	0	0	112.4
56	I	68.8	Low	80	Confident	46 Å²	46	56 Å²	56	24%	0.236	31%	0.313	C	S	.	.	S	Bend	trans	-105.6	147	-170.1	-54	-172.2	0	0	0	109.5	L54 E91 P92	L54-I56 PolarHBondContact O-N 3.47Å; L54-I56 VanDerWaalsContact O-N 3.1Å; I56-E91 HydrophobicContact CD1-CB 3.65Å; I56-E91 HydrophobicContact CD1-CG 3.6Å; I56-E91 VanDerWaalsContact CD1-OE1 3.23Å; I56-E91 WeakPolarHBondContact CD1-OE1 3.24Å; I56-P92 HydrophobicContact CD1-CG 4.27Å; I56-P92 HydrophobicContact CG2-CG 4.43Å
57	S	70.9	Confident	79.7	Confident	76 Å²	76	58.4 Å²	58.4	53%	0.531	32%	0.324	S	S	.	.			trans	-59.9	141.4	174.9	-178.6	0	0	0	0	111.6	A59 S60	S57-A59 PolarHBondContact O-N 2.98Å; S57-S60 PolarHBondContact O-N 2.84Å
58	A	69.9	Low	79.3	Confident	32 Å²	32	57.3 Å²	57.3	26%	0.264	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-54.7	-28	176.2	0	0	0	0	0	113.2	K45 E46 S60	K45-A58 HydrophobicContact CB-CB 4.37Å; E46-A58 HydrophobicContact CB-CB 4.41Å; A58-S60 VanDerWaalsContact C-N 3.29Å; A58-S60 PolarHBondContact O-N 2.79Å
59	A	70.1	Confident	79.1	Confident	83 Å²	83	58.2 Å²	58.2	69%	0.686	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-70.6	-22.3	177.1	0	0	0	0	0	113.8	S57	S57-A59 PolarHBondContact O-N 2.98Å
60	S	75.3	Confident	79.2	Confident	48 Å²	48	60.1 Å²	60.1	34%	0.336	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-98.7	0.3	-176.4	-54.8	0	0	0	0	113.3	S57 A58 P92	S57-S60 PolarHBondContact O-N 2.84Å; A58-S60 VanDerWaalsContact C-N 3.29Å; A58-S60 PolarHBondContact O-N 2.79Å; S60-P92 WeakPolarHBondContact O-CD 3.42Å
61	V	82.6	Confident	79.4	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	35%	0.349	C	S	.	.			trans	-87.6	125.3	176.5	177.4	0	0	0	0	110.2	K45 V48 C49 L54 L63 A89	K45-V61 WeakPolarHBondContact CE-O 3.48Å; V48-V61 HydrophobicContact CG1-CG1 4.44Å; C49-V61 WeakPolarHBondContact SG-CG2 3.3Å; L54-V61 HydrophobicContact CD1-CG2 4.1Å; V61-L63 HydrophobicContact CG1-CD2 4.49Å; V61-A89 HydrophobicContact CG1-CB 4.14Å
62	Y	86.6	Confident	79.8	Confident	113 Å²	113	58.4 Å²	58.4	44%	0.443	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.6	172.8	-61.3	-87.6	0	0	0	109.1	E71 L90	Y62-E71 WeakPolarHBondContact CD1-OE1 3.32Å; Y62-L90 PolarHBondContact N-O 3.45Å; Y62-L90 PolarHBondContact O-N 3.18Å
63	L	88.8	Confident	80.3	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.5	175	-68.9	173.9	0	0	0	107.9	L41 L44 K45 V48 V61 V72 M88 A89	L41-L63 HydrophobicContact CD1-CD1 3.67Å; L44-L63 HydrophobicContact CD2-CD1 3.77Å; L44-L63 HydrophobicContact CG-CD1 4.04Å; K45-L63 HydrophobicContact CG-CD1 3.85Å; K45-L63 HydrophobicContact CG-CG 4.36Å; V48-L63 HydrophobicContact CG2-CD2 4.4Å; V61-L63 HydrophobicContact CG1-CD2 4.49Å; L63-V72 HydrophobicContact CB-CB 4.25Å; L63-V72 PolarHBondContact O-N 3.1Å; L63-M88 WeakPolarHBondContact CA-O 3.34Å; L63-A89 HydrophobicContact CD2-CB 4.12Å
64	V	89.3	Confident	80.8	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154	177.7	-57.9	0	0	0	0	109.7	T70 L87 M88 L90 W96	V64-T70 CarbonylContact C-O 3.48Å; V64-T70 VanDerWaalsContact CA-O 3.28Å; V64-T70 WeakPolarHBondContact CA-O 3.32Å; V64-L87 CarbonylContact O-C 3.48Å; V64-L87 WeakPolarHBondContact O-CA 3.36Å; V64-M88 HydrophobicContact CG2-CB 3.85Å; V64-M88 HydrophobicContact CG2-CG 4.4Å; V64-M88 PolarHBondContact N-O 3.49Å; V64-M88 PolarHBondContact O-N 2.8Å; V64-L90 HydrophobicContact CB-CD1 4.48Å; V64-L90 HydrophobicContact CG1-CD1 3.92Å; V64-L90 HydrophobicContact CG2-CD1 3.68Å; V64-L90 HydrophobicContact CG2-CG 4.05Å; V64-W96 HydrophobicContact CG2-CB 4.22Å; V64-W96 HydrophobicContact CG2-CG 4.27Å
65	C	89.1	Confident	81.5	Confident	7 Å²	7	59.4 Å²	59.4	5%	0.047	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.9	174.1	-71.7	0	0	0	0	110.4	E67 D68 G69 T70 W96	C65-E67 PolarHBondContact O-N 2.89Å; C65-D68 WeakPolarHBondContact CB-OD1 3.48Å; C65-G69 VanDerWaalsContact O-CA 3.29Å; C65-G69 WeakPolarHBondContact O-CA 3.46Å; C65-G69 PolarHBondContact O-N 3.49Å; C65-T70 PolarHBondContact N-O 2.73Å; C65-W96 PolarHBondContact O-NE1 3.11Å
66	E	85.8	Confident	82.5	Confident	20 Å²	20	60 Å²	60	9%	0.093	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.9	-177.6	-176.8	-171	-170.7	0	0	111.9	R30 K33 V86 M88 W96	R30-E66 IonicContact CZ-OE1 3.89Å; R30-E66 IonicContact NH1-OE1 2.97Å; R30-E66 PolarHBondContact NH1-OE1 2.65Å; R30-E66 PolarHBondContact NH2-O 2.68Å; K33-E66 IonicContact NZ-OE1 3.16Å; K33-E66 PolarHBondContact NZ-OE1 3.14Å; K33-E66 IonicContact NZ-OE2 2.68Å; K33-E66 PolarHBondContact NZ-OE2 3.22Å; K33-E66 VanDerWaalsContact NZ-OE2 3.15Å; E66-V86 HydrophobicContact CB-CB 3.99Å; E66-V86 HydrophobicContact CB-CG1 4.1Å; E66-V86 VanDerWaalsContact CB-O 3.3Å; E66-V86 WeakPolarHBondContact CB-O 3.4Å; E66-V86 PolarHBondContact N-O 3.15Å; E66-V86 VanDerWaalsContact OE2-CB 3.3Å; E66-V86 WeakPolarHBondContact OE2-CB 3.29Å; E66-V86 VanDerWaalsContact OE2-CG1 3.24Å; E66-V86 WeakPolarHBondContact OE2-CG1 3.49Å; E66-M88 HydrophobicContact CG-CE 4.28Å; E66-W96 PolarHBondContact O-NE1 3.16Å
67	E	80.9	Confident	83.4	Confident	156 Å²	156	60.7 Å²	60.7	73%	0.729	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-45.8	-169.7	-62.8	-163.8	154.9	0	0	113.9	C65	C65-E67 PolarHBondContact O-N 2.89Å
68	D	80.1	Confident	84.1	Confident	92 Å²	92	57.1 Å²	57.1	49%	0.492	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-10.2	-170.4	61.2	-12.1	0	0	0	113.3	C65 T70	C65-D68 WeakPolarHBondContact CB-OD1 3.48Å; D68-T70 PolarHBondContact O-N 3.1Å; D68-T70 PolarHBondContact OD1-N 3.08Å; D68-T70 PolarHBondContact OD1-OG1 2.82Å; D68-T70 WeakPolarHBondContact OD2-CB 3.28Å; D68-T70 PolarHBondContact OD2-OG1 3.08Å
69	G	82.8	Confident	84.7	Confident	20 Å²	20	59 Å²	59	21%	0.206	32%	0.316	C	S	.	.			trans	75.5	12.5	-178.6	0	0	0	0	0	113.8	C65 E71 W96	C65-G69 VanDerWaalsContact O-CA 3.29Å; C65-G69 WeakPolarHBondContact O-CA 3.46Å; C65-G69 PolarHBondContact O-N 3.49Å; G69-E71 PolarHBondContact O-N 3.08Å; G69-W96 VanDerWaalsContact CA-CD2 3.47Å; G69-W96 VanDerWaalsContact CA-CE2 3.46Å
70	T	87.9	Confident	85.4	Confident	55 Å²	55	60.1 Å²	60.1	34%	0.337	31%	0.314	S	S	.	.			trans	-64.7	126.7	178.7	-61.6	0	0	0	0	110.2	V64 C65 D68 F77	V64-T70 CarbonylContact C-O 3.48Å; V64-T70 VanDerWaalsContact CA-O 3.28Å; V64-T70 WeakPolarHBondContact CA-O 3.32Å; C65-T70 PolarHBondContact N-O 2.73Å; D68-T70 PolarHBondContact O-N 3.1Å; D68-T70 PolarHBondContact OD1-N 3.08Å; D68-T70 PolarHBondContact OD1-OG1 2.82Å; D68-T70 WeakPolarHBondContact OD2-CB 3.28Å; D68-T70 PolarHBondContact OD2-OG1 3.08Å; T70-F77 HydrophobicContact CG2-CE1 4.03Å; T70-F77 HydrophobicContact CG2-CZ 3.63Å
71	E	88.2	Confident	85.8	Confident	107 Å²	107	58.8 Å²	58.8	50%	0.5	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-70.8	136.6	178.4	-174.1	172.9	-170.8	0	0	111.4	Y62 G69	Y62-E71 WeakPolarHBondContact CD1-OE1 3.32Å; G69-E71 PolarHBondContact O-N 3.08Å
72	V	88.9	Confident	85.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	33%	0.325	C	S	.	.			trans	-99.2	97.5	173.6	-178.4	0	0	0	0	108	L41 L63 F77 L78 L81 L87	L41-V72 HydrophobicContact CD1-CG1 3.75Å; L63-V72 HydrophobicContact CB-CB 4.25Å; L63-V72 PolarHBondContact O-N 3.1Å; V72-F77 HydrophobicContact CB-CD1 4.18Å; V72-F77 HydrophobicContact CG1-CD1 4.09Å; V72-F77 HydrophobicContact CG2-CD1 3.94Å; V72-F77 HydrophobicContact CG2-CE1 3.87Å; V72-L78 HydrophobicContact CG1-CB 4Å; V72-L78 HydrophobicContact CG1-CD1 4.22Å; V72-L81 HydrophobicContact CG2-CD1 4.15Å; V72-L87 HydrophobicContact CG2-CD2 3.76Å
73	D	87.4	Confident	85.4	Confident	117 Å²	117	62.6 Å²	62.6	63%	0.626	34%	0.335	S	S	*	.			trans	-99.4	-19.1	-177.1	66.8	-8.3	0	0	0	113.9
74	S	87	Confident	84.9	Confident	42 Å²	42	67.1 Å²	67.1	29%	0.294	36%	0.359	S	S	.	.			trans	-135	148.4	-169.6	52.5	0	0	0	0	113.2	E76 F77 L78	S74-E76 VanDerWaalsContact C-N 3.28Å; S74-E76 PolarHBondContact O-N 2.7Å; S74-F77 PolarHBondContact O-N 3.19Å; S74-F77 VanDerWaalsContact OG-CB 3.23Å; S74-F77 WeakPolarHBondContact OG-CB 3.16Å; S74-L78 PolarHBondContact O-N 2.8Å
75	D	87.1	Confident	84.7	Confident	70 Å²	70	68 Å²	68	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-38.1	175.2	-74	-19.3	0	0	0	111.9	L41 L78 M79	L41-D75 WeakPolarHBondContact CA-OD1 3.42Å; L41-D75 WeakPolarHBondContact CB-OD1 3.41Å; L41-D75 PolarHBondContact N-OD1 3.1Å; D75-L78 PolarHBondContact O-N 2.84Å; D75-M79 VanDerWaalsContact O-CG 3.31Å; D75-M79 WeakPolarHBondContact O-CG 3.37Å; D75-M79 PolarHBondContact O-N 2.87Å
76	E	85.3	Confident	84.6	Confident	162 Å²	162	68.6 Å²	68.6	76%	0.757	37%	0.368	S	S	*	.	H	α-helix	trans	-61.7	-46.3	177.4	-62.9	-173.6	-178.2	0	0	110.8	S74 L78 M79 T80	S74-E76 VanDerWaalsContact C-N 3.28Å; S74-E76 PolarHBondContact O-N 2.7Å; E76-L78 PolarHBondContact O-N 2.77Å; E76-M79 PolarHBondContact O-N 3.43Å; E76-T80 WeakPolarHBondContact O-CG2 3.3Å; E76-T80 PolarHBondContact O-N 3.24Å
77	F	86.5	Confident	84.8	Confident	61 Å²	61	67.7 Å²	67.7	27%	0.268	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-47.6	176.8	-173.8	-107.7	0	0	0	110.9	T70 V72 S74 M79 T80 L81	T70-F77 HydrophobicContact CG2-CE1 4.03Å; T70-F77 HydrophobicContact CG2-CZ 3.63Å; V72-F77 HydrophobicContact CB-CD1 4.18Å; V72-F77 HydrophobicContact CG1-CD1 4.09Å; V72-F77 HydrophobicContact CG2-CD1 3.94Å; V72-F77 HydrophobicContact CG2-CE1 3.87Å; S74-F77 PolarHBondContact O-N 3.19Å; S74-F77 VanDerWaalsContact OG-CB 3.23Å; S74-F77 WeakPolarHBondContact OG-CB 3.16Å; F77-M79 PolarHBondContact O-N 3.27Å; F77-T80 PolarHBondContact O-N 3.18Å; F77-T80 PolarHBondContact O-OG1 3.31Å; F77-L81 HydrophobicContact CD1-CD1 4.5Å; F77-L81 HydrophobicContact CE1-CD1 4.32Å; F77-L81 HydrophobicContact CE1-CD2 4.03Å; F77-L81 HydrophobicContact CE1-CG 4.36Å; F77-L81 HydrophobicContact CZ-CD2 3.99Å; F77-L81 WeakPolarHBondContact O-CG 3.41Å; F77-L81 PolarHBondContact O-N 3.36Å
78	L	85.6	Confident	85.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-54.7	-38.2	176.4	-178.5	66.2	0	0	0	112.9	R21 F23 L41 L44 V72 S74 D75 E76 L81 L87	R21-L78 PolarHBondContact NH1-O 3.34Å; R21-L78 VanDerWaalsContact NH1-O 3.08Å; F23-L78 HydrophobicContact CD1-CD1 3.96Å; F23-L78 HydrophobicContact CE1-CD1 3.53Å; F23-L78 HydrophobicContact CE1-CD2 4.46Å; F23-L78 HydrophobicContact CE1-CG 3.79Å; F23-L78 HydrophobicContact CE2-CD1 4.45Å; F23-L78 HydrophobicContact CE2-CD2 4.15Å; F23-L78 HydrophobicContact CE2-CG 4.35Å; F23-L78 HydrophobicContact CZ-CD1 3.8Å; F23-L78 HydrophobicContact CZ-CD2 3.87Å; F23-L78 HydrophobicContact CZ-CG 3.61Å; L41-L78 HydrophobicContact CB-CD2 4.34Å; L41-L78 HydrophobicContact CD1-CD2 4.29Å; L44-L78 HydrophobicContact CD2-CD1 3.82Å; L44-L78 HydrophobicContact CD2-CD2 3.87Å; V72-L78 HydrophobicContact CG1-CB 4Å; V72-L78 HydrophobicContact CG1-CD1 4.22Å; S74-L78 PolarHBondContact O-N 2.8Å; D75-L78 PolarHBondContact O-N 2.84Å; E76-L78 PolarHBondContact O-N 2.77Å; L78-L81 HydrophobicContact CD1-CD1 4.41Å; L78-L87 HydrophobicContact CD1-CD1 3.67Å
79	M	83.2	Confident	85.7	Confident	72 Å²	72	56.1 Å²	56.1	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-76.2	-31.2	178.4	-68.5	-62.9	172.6	0	0	113.3	R21 G39 D75 E76 F77 L81	R21-M79 PolarHBondContact NH1-O 3.41Å; R21-M79 VanDerWaalsContact NH1-O 3.1Å; G39-M79 WeakPolarHBondContact O-CE 3.49Å; D75-M79 VanDerWaalsContact O-CG 3.31Å; D75-M79 WeakPolarHBondContact O-CG 3.37Å; D75-M79 PolarHBondContact O-N 2.87Å; E76-M79 PolarHBondContact O-N 3.43Å; F77-M79 PolarHBondContact O-N 3.27Å; M79-L81 VanDerWaalsContact C-N 3.29Å; M79-L81 PolarHBondContact O-N 2.98Å
80	T	84.9	Confident	85.9	Confident	106 Å²	106	55.6 Å²	55.6	65%	0.65	30%	0.3	S	S	*	.	H	α-helix	trans	-71.4	-22.7	175.1	62.4	0	0	0	0	113.7	E76 F77	E76-T80 WeakPolarHBondContact O-CG2 3.3Å; E76-T80 PolarHBondContact O-N 3.24Å; F77-T80 PolarHBondContact O-N 3.18Å; F77-T80 PolarHBondContact O-OG1 3.31Å
81	L	84.8	Confident	85.7	Confident	20 Å²	20	55.6 Å²	55.6	11%	0.105	30%	0.296	C	S	.	.	S	Bend	trans	-61.2	144.3	178.5	-68.8	175.4	0	0	0	111	R21 V72 F77 L78 M79 T85 L87	R21-L81 PolarHBondContact NH1-O 3Å; R21-L81 PolarHBondContact NH2-O 3.21Å; V72-L81 HydrophobicContact CG2-CD1 4.15Å; F77-L81 HydrophobicContact CD1-CD1 4.5Å; F77-L81 HydrophobicContact CE1-CD1 4.32Å; F77-L81 HydrophobicContact CE1-CD2 4.03Å; F77-L81 HydrophobicContact CE1-CG 4.36Å; F77-L81 HydrophobicContact CZ-CD2 3.99Å; F77-L81 WeakPolarHBondContact O-CG 3.41Å; F77-L81 PolarHBondContact O-N 3.36Å; L78-L81 HydrophobicContact CD1-CD1 4.41Å; M79-L81 VanDerWaalsContact C-N 3.29Å; M79-L81 PolarHBondContact O-N 2.98Å; L81-T85 HydrophobicContact CD1-CG2 4.23Å; L81-T85 HydrophobicContact CD2-CG2 4.31Å; L81-L87 HydrophobicContact CD1-CD2 3.91Å
82	P	81.5	Confident	85.4	Confident	71 Å²	71	54 Å²	54	46%	0.461	30%	0.295	S	S	.	.			trans	-61.2	154.1	171.5	-24.8	32.3	0	0	0	114.3	N84 T85	P82-N84 WeakPolarHBondContact CB-OD1 2.93Å; P82-N84 PolarHBondContact O-N 3.15Å; P82-N84 VanDerWaalsContact O-N 3.08Å; P82-T85 VanDerWaalsContact CD-OG1 3.32Å; P82-T85 WeakPolarHBondContact CD-OG1 3.33Å; P82-T85 WeakPolarHBondContact O-CB 3.26Å; P82-T85 PolarHBondContact O-N 2.82Å; P82-T85 VanDerWaalsContact O-N 3.1Å; P82-T85 PolarHBondContact O-OG1 3Å; P82-T85 VanDerWaalsContact O-OG1 3.08Å
83	D	78.3	Confident	84.9	Confident	123 Å²	123	58 Å²	58	66%	0.658	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22	179.4	-65.9	-26.6	0	0	0	114.1	R21	R21-D83 IonicContact CZ-OD1 3.2Å; R21-D83 IonicContact NE-OD1 3.33Å; R21-D83 PolarHBondContact NE-OD1 3.2Å; R21-D83 VanDerWaalsContact NE-OD1 3.16Å; R21-D83 IonicContact NH2-OD1 3.15Å; R21-D83 PolarHBondContact NH2-OD1 3.12Å
84	N	77.6	Confident	84.6	Confident	96 Å²	96	55.5 Å²	55.5	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3.5	-178.1	65.1	-76.1	0	0	0	113.7	P82 V86	P82-N84 WeakPolarHBondContact CB-OD1 2.93Å; P82-N84 PolarHBondContact O-N 3.15Å; P82-N84 VanDerWaalsContact O-N 3.08Å; N84-V86 PolarHBondContact O-N 3.04Å
85	T	84.9	Confident	84.4	Confident	31 Å²	31	57.9 Å²	57.9	19%	0.19	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-67.6	131.5	178.7	-57.4	0	0	0	0	110.4	L81 P82 L87	L81-T85 HydrophobicContact CD1-CG2 4.23Å; L81-T85 HydrophobicContact CD2-CG2 4.31Å; P82-T85 VanDerWaalsContact CD-OG1 3.32Å; P82-T85 WeakPolarHBondContact CD-OG1 3.33Å; P82-T85 WeakPolarHBondContact O-CB 3.26Å; P82-T85 PolarHBondContact O-N 2.82Å; P82-T85 VanDerWaalsContact O-N 3.1Å; P82-T85 PolarHBondContact O-OG1 3Å; P82-T85 VanDerWaalsContact O-OG1 3.08Å; T85-L87 HydrophobicContact CG2-CD2 4.22Å
86	V	87.9	Confident	84.3	Confident	19 Å²	19	57.9 Å²	57.9	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.2	173.4	-174.7	0	0	0	0	108.3	R24 C26 E66 N84	R24-V86 HydrophobicContact CB-CG2 4.2Å; R24-V86 WeakPolarHBondContact O-CA 3.42Å; C26-V86 HydrophobicContact CB-CG1 4.2Å; E66-V86 HydrophobicContact CB-CB 3.99Å; E66-V86 HydrophobicContact CB-CG1 4.1Å; E66-V86 VanDerWaalsContact CB-O 3.3Å; E66-V86 WeakPolarHBondContact CB-O 3.4Å; E66-V86 PolarHBondContact N-O 3.15Å; E66-V86 VanDerWaalsContact OE2-CB 3.3Å; E66-V86 WeakPolarHBondContact OE2-CB 3.29Å; E66-V86 VanDerWaalsContact OE2-CG1 3.24Å; E66-V86 WeakPolarHBondContact OE2-CG1 3.49Å; N84-V86 PolarHBondContact O-N 3.04Å
87	L	90.9	Very high	84.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.8	173.6	-60	179	0	0	0	109.5	R24 I25 C26 L44 V64 V72 L78 L81 T85	R24-L87 PolarHBondContact O-N 3.48Å; I25-L87 CarbonylContact C-O 3.54Å; I25-L87 WeakPolarHBondContact CA-O 3.43Å; I25-L87 HydrophobicContact CG1-CB 4.2Å; C26-L87 PolarHBondContact N-O 2.77Å; C26-L87 PolarHBondContact SG-O 2.92Å; L44-L87 HydrophobicContact CD2-CD1 3.92Å; V64-L87 CarbonylContact O-C 3.48Å; V64-L87 WeakPolarHBondContact O-CA 3.36Å; V72-L87 HydrophobicContact CG2-CD2 3.76Å; L78-L87 HydrophobicContact CD1-CD1 3.67Å; L81-L87 HydrophobicContact CD1-CD2 3.91Å; T85-L87 HydrophobicContact CG2-CD2 4.22Å
88	M	89.7	Confident	83.6	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.6	175.7	-179.1	177.3	-72.1	0	0	108.4	C26 R30 L63 V64 E66 L90	C26-M88 WeakPolarHBondContact O-CA 2.96Å; R30-M88 HydrophobicContact CG-CE 3.63Å; L63-M88 WeakPolarHBondContact CA-O 3.34Å; V64-M88 HydrophobicContact CG2-CB 3.85Å; V64-M88 HydrophobicContact CG2-CG 4.4Å; V64-M88 PolarHBondContact N-O 3.49Å; V64-M88 PolarHBondContact O-N 2.8Å; E66-M88 HydrophobicContact CG-CE 4.28Å; M88-L90 HydrophobicContact CG-CD2 4.04Å; M88-L90 HydrophobicContact CG-CG 4.43Å; M88-L90 HydrophobicContact SD-CD2 3.88Å
89	A	89.4	Confident	83	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.033	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.8	172.9	0	0	0	0	0	109.8	I25 C26 V48 L52 V61 L63	I25-A89 HydrophobicContact CG2-CB 4.09Å; C26-A89 PolarHBondContact O-N 3.15Å; V48-A89 HydrophobicContact CG1-CB 3.52Å; L52-A89 HydrophobicContact CD1-CB 3.62Å; V61-A89 HydrophobicContact CG1-CB 4.14Å; L63-A89 HydrophobicContact CD2-CB 4.12Å
90	L	87.2	Confident	81.5	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.042	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.8	177.7	-63.4	179.9	0	0	0	110.6	N28 Y62 V64 M88 Q94 W96	N28-L90 HydrophobicContact CB-CD2 3.92Å; Y62-L90 PolarHBondContact N-O 3.45Å; Y62-L90 PolarHBondContact O-N 3.18Å; V64-L90 HydrophobicContact CB-CD1 4.48Å; V64-L90 HydrophobicContact CG1-CD1 3.92Å; V64-L90 HydrophobicContact CG2-CD1 3.68Å; V64-L90 HydrophobicContact CG2-CG 4.05Å; M88-L90 HydrophobicContact CG-CD2 4.04Å; M88-L90 HydrophobicContact CG-CG 4.43Å; M88-L90 HydrophobicContact SD-CD2 3.88Å; L90-Q94 HydrophobicContact CB-CB 4.44Å; L90-Q94 HydrophobicContact CD2-CB 4.24Å; L90-W96 HydrophobicContact CD1-CB 4.06Å
91	E	84.5	Confident	80.1	Confident	55 Å²	55	63.8 Å²	63.8	26%	0.257	39%	0.394	S	S	.	.			trans	-83.3	156.1	171.9	-60.2	-175.9	128.6	0	0	110.6	L54 I56 G93 Q94	L54-E91 HydrophobicContact CD2-CG 4.42Å; I56-E91 HydrophobicContact CD1-CB 3.65Å; I56-E91 HydrophobicContact CD1-CG 3.6Å; I56-E91 VanDerWaalsContact CD1-OE1 3.23Å; I56-E91 WeakPolarHBondContact CD1-OE1 3.24Å; E91-G93 PolarHBondContact O-N 2.97Å; E91-Q94 HydrophobicContact CB-CG 4.08Å; E91-Q94 WeakPolarHBondContact O-CB 3.3Å; E91-Q94 PolarHBondContact O-N 3Å; E91-Q94 PolarHBondContact OE2-NE2 3.33Å
92	P	80.6	Confident	78.3	Confident	73 Å²	73	64.9 Å²	64.9	47%	0.474	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	124.3	176.2	23.3	-33.6	0	0	0	110.8	I56 S60	I56-P92 HydrophobicContact CD1-CG 4.27Å; I56-P92 HydrophobicContact CG2-CG 4.43Å; S60-P92 WeakPolarHBondContact O-CD 3.42Å
93	G	77.9	Confident	76.6	Confident	85 Å²	85	67.9 Å²	67.9	88%	0.876	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-7.5	-175.7	0	0	0	0	0	114.8	E91	E91-G93 PolarHBondContact O-N 2.97Å
94	Q	82.8	Confident	75.2	Confident	65 Å²	65	66.7 Å²	66.7	30%	0.304	42%	0.42	S	S	.	.			trans	-86.6	136.9	168.8	-62.8	-178.1	-4.2	0	0	110.1	N28 L90 E91	N28-Q94 VanDerWaalsContact CB-OE1 3.3Å; N28-Q94 PolarHBondContact ND2-OE1 3.26Å; L90-Q94 HydrophobicContact CB-CB 4.44Å; L90-Q94 HydrophobicContact CD2-CB 4.24Å; E91-Q94 HydrophobicContact CB-CG 4.08Å; E91-Q94 WeakPolarHBondContact O-CB 3.3Å; E91-Q94 PolarHBondContact O-N 3Å; E91-Q94 PolarHBondContact OE2-NE2 3.33Å
95	T	82.1	Confident	73.6	Confident	93 Å²	93	68.5 Å²	68.5	57%	0.571	43%	0.428	S	S	*	.			trans	-110.7	138	176.7	43.4	0	0	0	0	109.3	K97	T95-K97 PolarHBondContact O-N 3.08Å
96	W	85.4	Confident	71.6	Confident	70 Å²	70	74.5 Å²	74.5	27%	0.265	45%	0.452	S	S	.	.			trans	-59.6	136.2	170.8	177.7	88	0	0	0	109.5	V64 C65 E66 G69 L90 P98	V64-W96 HydrophobicContact CG2-CB 4.22Å; V64-W96 HydrophobicContact CG2-CG 4.27Å; C65-W96 PolarHBondContact O-NE1 3.11Å; E66-W96 PolarHBondContact O-NE1 3.16Å; G69-W96 VanDerWaalsContact CA-CD2 3.47Å; G69-W96 VanDerWaalsContact CA-CE2 3.46Å; L90-W96 HydrophobicContact CD1-CB 4.06Å; W96-P98 HydrophobicContact CH2-CB 3.81Å; W96-P98 HydrophobicContact CH2-CG 4.48Å; W96-P98 HydrophobicContact CZ2-CB 4.38Å; W96-P98 HydrophobicContact CZ3-CB 4.18Å; W96-P98 HydrophobicContact CZ3-CG 4.36Å
97	K	80.7	Confident	69.3	Low	144 Å²	144	79.3 Å²	79.3	63%	0.626	48%	0.477	S	S	*	.			trans	-125.3	134.4	174.5	-66.9	-177.3	-178.2	179.9	0	110.1	R30 T95	R30-K97 PolarHBondContact NH2-O 3.14Å; T95-K97 PolarHBondContact O-N 3.08Å
98	P	76.1	Confident	67.1	Low	93 Å²	93	84.6 Å²	84.6	60%	0.604	50%	0.501	S	S	*	.			trans	-63.7	140.2	171.6	27.5	-32.7	0	0	0	109	W96 A100	W96-P98 HydrophobicContact CH2-CB 3.81Å; W96-P98 HydrophobicContact CH2-CG 4.48Å; W96-P98 HydrophobicContact CZ2-CB 4.38Å; W96-P98 HydrophobicContact CZ3-CB 4.18Å; W96-P98 HydrophobicContact CZ3-CG 4.36Å; P98-A100 PolarHBondContact O-N 3.05Å; P98-A100 VanDerWaalsContact O-N 3.08Å
99	Q	72.4	Confident	65	Low	103 Å²	103	91.5 Å²	91.5	48%	0.481	54%	0.538	S	S	.	.			trans	-70.2	107	178.7	-175	174	-43.3	0	0	109.6	G101 A102	Q99-G101 PolarHBondContact O-N 2.97Å; Q99-G101 VanDerWaalsContact O-N 3.14Å; Q99-A102 HydrophobicContact CG-CB 4.3Å
100	A	52.4	Low	63	Low	107 Å²	107	98.1 Å²	98.1	88%	0.884	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	110.1	173.7	0	0	0	0	0	109.4	P98	P98-A100 PolarHBondContact O-N 3.05Å; P98-A100 VanDerWaalsContact O-N 3.08Å
101	G	54.9	Low	61.1	Low	78 Å²	78	102 Å²	102	80%	0.804	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.7	-7.8	174.5	0	0	0	0	0	115.8	Q99 V103	Q99-G101 PolarHBondContact O-N 2.97Å; Q99-G101 VanDerWaalsContact O-N 3.14Å; G101-V103 PolarHBondContact O-N 2.79Å
102	A	48	Very low	59.4	Low	42 Å²	42	108.9 Å²	108.9	35%	0.347	62%	0.616	S	S	.	*			trans	-85.3	99.5	158.6	0	0	0	0	0	106.6	Q99 V104	Q99-A102 HydrophobicContact CG-CB 4.3Å; A102-V104 PolarHBondContact O-N 3.13Å
103	V	44.7	Very low	58.3	Low	135 Å²	135	112.1 Å²	112.1	82%	0.818	63%	0.634	S	S	*	*			trans	-52.7	101.1	151.4	179.2	0	0	0	0	103.6	G101 L105	G101-V103 PolarHBondContact O-N 2.79Å; V103-L105 PolarHBondContact O-N 2.81Å
104	V	49.3	Very low	57.1	Low	98 Å²	98	110.5 Å²	110.5	59%	0.594	62%	0.617	S	S	*	*			trans	-63.5	91.9	173.3	176.8	0	0	0	0	102.9	A102 K106	A102-V104 PolarHBondContact O-N 3.13Å; V104-K106 HydrophobicContact CG1-CG 4.43Å; V104-K106 PolarHBondContact O-N 2.94Å
105	L	43.3	Very low	55.7	Low	133 Å²	133	119 Å²	119	70%	0.696	65%	0.646	S	S	*	*			trans	-57.2	95	156	-155.5	84.1	0	0	0	101.5	V103 N107	V103-L105 PolarHBondContact O-N 2.81Å; L105-N107 PolarHBondContact O-N 2.75Å
106	K	44	Very low	54.3	Low	158 Å²	158	120.4 Å²	120.4	69%	0.687	65%	0.651	S	S	*	*			trans	-52.1	98.9	164.2	-81.3	179.2	170.4	-177	0	102.5	V104 H108	V104-K106 HydrophobicContact CG1-CG 4.43Å; V104-K106 PolarHBondContact O-N 2.94Å; K106-H108 HydrophobicContact CB-CB 4.4Å; K106-H108 PolarHBondContact O-N 3.43Å
107	N	38.4	Very low	53.4	Low	120 Å²	120	121.7 Å²	121.7	64%	0.642	66%	0.662	S	S	*	*			trans	-70.2	69.4	164.5	-86.6	-14.4	0	0	0	105.1	L105 D109	L105-N107 PolarHBondContact O-N 2.75Å; N107-D109 PolarHBondContact O-N 2.98Å
108	H	44.8	Very low	53	Low	111 Å²	111	117.4 Å²	117.4	51%	0.514	65%	0.653	S	S	.	*			trans	-73.7	6.1	171.3	-129.3	-75.4	0	0	0	110.2	K106 K110	K106-H108 HydrophobicContact CB-CB 4.4Å; K106-H108 PolarHBondContact O-N 3.43Å; H108-K110 PolarHBondContact O-N 3.26Å
109	D	45.3	Very low	52.9	Low	147 Å²	147	118.9 Å²	118.9	79%	0.786	65%	0.646	S	S	*	*			trans	-79.4	19	171.1	-66.9	-44.4	0	0	0	113.3	N107 P111	N107-D109 PolarHBondContact O-N 2.98Å; D109-P111 WeakPolarHBondContact O-CD 3.36Å
110	K	47.6	Very low	53.4	Low	142 Å²	142	117.7 Å²	117.7	62%	0.617	65%	0.646	S	S	*	*	S	Bend	trans	-90.3	107.6	154.9	-158.8	99	175.7	-157.5	0	106.7	H108 R112	H108-K110 PolarHBondContact O-N 3.26Å; K110-R112 PolarHBondContact O-N 3.22Å
111	P	47.2	Very low	54.8	Low	89 Å²	89	114.8 Å²	114.8	58%	0.578	62%	0.618	S	S	*	*			trans	-58.3	118.6	171.5	23.2	-29.8	0	0	0	107	D109 T113	D109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-T113 PolarHBondContact O-N 2.7Å
112	R	50.1	Low	56.3	Low	201 Å²	201	117.6 Å²	117.6	76%	0.758	61%	0.608	S	S	*	*			trans	-46.1	110.3	177.1	-68.6	177.4	169.6	179.3	-4.2	107.3	K110 G114	K110-R112 PolarHBondContact O-N 3.22Å; R112-G114 PolarHBondContact O-N 2.71Å
113	T	55.9	Low	57.9	Low	140 Å²	140	119.5 Å²	119.5	86%	0.859	61%	0.612	S	S	*	*	S	Bend	trans	-71.2	78.5	175.7	-71.4	0	0	0	0	107.6	P111	P111-T113 PolarHBondContact O-N 2.7Å
114	G	52.7	Low	59.6	Low	51 Å²	51	119.3 Å²	119.3	53%	0.526	61%	0.606	S	S	.	*	S	Bend	trans	-158.2	96.7	179.1	0	0	0	0	0	107.7	R112	R112-G114 PolarHBondContact O-N 2.71Å
115	R	53.5	Low	60.7	Low	243 Å²	243	119.1 Å²	119.1	92%	0.917	60%	0.595	S	S	*	*	S	Bend	trans	91.6	8.1	172.2	-63.3	175.9	-96	168.8	-11.4	119.7	I117	R115-I117 PolarHBondContact O-N 2.74Å
116	D	54.5	Low	62.1	Low	123 Å²	123	118.2 Å²	118.2	66%	0.658	59%	0.586	S	S	*	*			trans	-92.3	103.8	171	-156.8	17.1	0	0	0	111.4	A118	D116-A118 VanDerWaalsContact C-N 3.34Å
117	I	65.3	Low	63.2	Low	98 Å²	98	116.1 Å²	116.1	50%	0.503	58%	0.581	S	S	.	*	S	Bend	trans	-80.3	-20	-174.9	-65.1	172.1	0	0	0	110.5	R115 F142 Q143	R115-I117 PolarHBondContact O-N 2.74Å; I117-F142 HydrophobicContact CG2-CD2 3.91Å; I117-F142 HydrophobicContact CG2-CE2 3.28Å; I117-F142 HydrophobicContact CG2-CZ 3.73Å; I117-F142 CarbonylContact O-C 3.49Å; I117-F142 WeakPolarHBondContact O-CA 3.18Å; I117-F142 WeakPolarHBondContact O-CD2 3.24Å; I117-Q143 HydrophobicContact CG2-CG 3.91Å; I117-Q143 PolarHBondContact O-N 2.7Å
118	A	73.2	Confident	64.1	Low	53 Å²	53	112.3 Å²	112.3	44%	0.438	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.6	111	-179.8	0	0	0	0	0	112	D116 T141 F142	D116-A118 VanDerWaalsContact C-N 3.34Å; A118-T141 CarbonylContact C-O 3.53Å; A118-T141 WeakPolarHBondContact CA-O 3.29Å; A118-F142 HydrophobicContact CB-CD2 4.19Å
119	R	73.6	Confident	64.9	Low	124 Å²	124	112.7 Å²	112.7	47%	0.468	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	119.1	176.6	177.2	172.7	62.7	-150.8	-0.6	110.6	A140 T141	R119-A140 CarbonylContact O-C 3.51Å; R119-A140 WeakPolarHBondContact O-CA 3.45Å; R119-T141 PolarHBondContact N-O 2.57Å; R119-T141 PolarHBondContact NE-OG1 2.78Å; R119-T141 PolarHBondContact O-N 2.81Å; R119-T141 PolarHBondContact O-OG1 2.83Å
120	V	81.8	Confident	65.6	Low	78 Å²	78	115 Å²	115	47%	0.473	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.7	121.5	173.6	-172.7	0	0	0	0	109.4	F122 V138 K139 A140	V120-F122 HydrophobicContact CB-CE2 4.29Å; V120-F122 HydrophobicContact CG1-CD2 4.33Å; V120-F122 HydrophobicContact CG1-CE2 3.55Å; V120-F122 HydrophobicContact CG1-CZ 3.68Å; V120-V138 HydrophobicContact CG1-CG1 4.21Å; V120-K139 CarbonylContact C-O 3.53Å; V120-K139 WeakPolarHBondContact CA-O 3.35Å; V120-A140 HydrophobicContact CG2-CB 4.26Å
121	T	83.2	Confident	66.1	Low	47 Å²	47	112.6 Å²	112.6	29%	0.288	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.2	141.8	-179.9	-21.4	0	0	0	0	110.2	V138 K139	T121-V138 CarbonylContact O-C 3.55Å; T121-V138 WeakPolarHBondContact O-CA 3.11Å; T121-K139 PolarHBondContact N-O 2.75Å; T121-K139 PolarHBondContact O-N 2.78Å; T121-K139 PolarHBondContact OG1-O 3.43Å
122	F	86	Confident	66.7	Low	136 Å²	136	114 Å²	114	60%	0.596	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.9	101.2	178.1	-61.2	-97.8	0	0	0	108.3	V120 L136 S137 V138	V120-F122 HydrophobicContact CB-CE2 4.29Å; V120-F122 HydrophobicContact CG1-CD2 4.33Å; V120-F122 HydrophobicContact CG1-CE2 3.55Å; V120-F122 HydrophobicContact CG1-CZ 3.68Å; F122-L136 HydrophobicContact CB-CD1 4.44Å; F122-S137 CarbonylContact C-O 3.49Å; F122-S137 WeakPolarHBondContact CA-O 3.36Å; F122-V138 HydrophobicContact CD1-CB 4.47Å; F122-V138 HydrophobicContact CD1-CG1 4.07Å; F122-V138 HydrophobicContact CD1-CG2 3.76Å; F122-V138 HydrophobicContact CE1-CG1 3.84Å; F122-V138 HydrophobicContact CE1-CG2 4.08Å; F122-V138 HydrophobicContact CZ-CG1 4.39Å
123	D	82.3	Confident	67.3	Low	82 Å²	82	109.2 Å²	109.2	44%	0.439	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.4	108.4	-174.9	-61.3	-27.8	0	0	0	109.4	S137	D123-S137 PolarHBondContact N-O 2.82Å; D123-S137 PolarHBondContact O-N 3.39Å
124	L	78.9	Confident	68	Low	131 Å²	131	103.2 Å²	103.2	69%	0.686	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.3	173.8	-170.5	72.7	0	0	0	109.2	L136	L124-L136 HydrophobicContact CB-CD1 4.24Å; L124-L136 HydrophobicContact CD1-CB 3.94Å; L124-L136 HydrophobicContact CD1-CD1 4.17Å
125	Y	72.2	Confident	69.1	Low	95 Å²	95	101.2 Å²	101.2	37%	0.373	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.8	-177.5	66.7	-78.5	0	0	0	111.2	I127 G134 S135	Y125-I127 HydrophobicContact CD2-CD1 4.47Å; Y125-I127 HydrophobicContact CD2-CG1 3.86Å; Y125-I127 HydrophobicContact CE2-CD1 3.72Å; Y125-I127 HydrophobicContact CE2-CG1 3.51Å; Y125-G134 CarbonylContact O-C 3.39Å; Y125-G134 WeakPolarHBondContact O-CA 3.34Å; Y125-S135 VanDerWaalsContact CD1-O 3.29Å; Y125-S135 WeakPolarHBondContact CD1-O 3.34Å; Y125-S135 PolarHBondContact N-O 3.45Å; Y125-S135 PolarHBondContact O-N 2.69Å; Y125-S135 VanDerWaalsContact O-O 3.07Å
126	K	74	Confident	70.4	Confident	113 Å²	113	92.1 Å²	92.1	49%	0.491	48%	0.478	S	S	.	.			trans	-114.9	111.9	-176.6	-179.8	162.2	159.2	165.1	0	109.2	S128 P129 D131	K126-S128 VanDerWaalsContact C-N 3.3Å; K126-S128 WeakPolarHBondContact CE-O 3.5Å; K126-S128 WeakPolarHBondContact CG-O 3.47Å; K126-S128 PolarHBondContact O-N 3.06Å; K126-P129 WeakPolarHBondContact CE-O 3.35Å; K126-P129 PolarHBondContact NZ-O 2.78Å; K126-D131 WeakPolarHBondContact CE-O 3.28Å; K126-D131 PolarHBondContact NZ-O 3.37Å
127	I	66.8	Low	71.7	Confident	115 Å²	115	87 Å²	87	59%	0.59	45%	0.452	S	S	*	.	S	Bend	trans	-71.7	-25.3	-174.6	-68.1	155.7	0	0	0	112.1	Y125 S135	Y125-I127 HydrophobicContact CD2-CD1 4.47Å; Y125-I127 HydrophobicContact CD2-CG1 3.86Å; Y125-I127 HydrophobicContact CE2-CD1 3.72Å; Y125-I127 HydrophobicContact CE2-CG1 3.51Å; I127-S135 VanDerWaalsContact CD1-OG 3.24Å; I127-S135 WeakPolarHBondContact CD1-OG 3.27Å
128	S	58	Low	72.5	Confident	40 Å²	40	83.8 Å²	83.8	28%	0.28	44%	0.437	S	S	.	.			trans	-142	135.4	178.1	174.1	0	0	0	0	110.9	K126 K130 D131	K126-S128 VanDerWaalsContact C-N 3.3Å; K126-S128 WeakPolarHBondContact CE-O 3.5Å; K126-S128 WeakPolarHBondContact CG-O 3.47Å; K126-S128 PolarHBondContact O-N 3.06Å; S128-K130 PolarHBondContact O-N 3.18Å; S128-K130 VanDerWaalsContact O-N 3.14Å; S128-K130 PolarHBondContact OG-N 2.8Å; S128-D131 PolarHBondContact O-N 2.89Å; S128-D131 VanDerWaalsContact O-N 3.08Å
129	P	61.1	Low	73.1	Confident	118 Å²	118	85.4 Å²	85.4	77%	0.766	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.1	177.9	22.9	-32.1	0	0	0	113	K126	K126-P129 WeakPolarHBondContact CE-O 3.35Å; K126-P129 PolarHBondContact NZ-O 2.78Å
130	K	60.3	Low	73.8	Confident	197 Å²	197	81.4 Å²	81.4	86%	0.857	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.3	179.3	-67	-179.6	179.6	176.6	0	114.1	S128	S128-K130 PolarHBondContact O-N 3.18Å; S128-K130 VanDerWaalsContact O-N 3.14Å; S128-K130 PolarHBondContact OG-N 2.8Å
131	D	58.5	Low	73.8	Confident	91 Å²	91	78.3 Å²	78.3	49%	0.487	41%	0.408	S	S	.	.			trans	-80.6	123.1	175.9	-108.7	-34.7	0	0	0	110.3	K126 S128 F133	K126-D131 WeakPolarHBondContact CE-O 3.28Å; K126-D131 PolarHBondContact NZ-O 3.37Å; S128-D131 PolarHBondContact O-N 2.89Å; S128-D131 VanDerWaalsContact O-N 3.08Å; D131-F133 PolarHBondContact O-N 3.48Å
132	V	59.4	Low	73.6	Confident	119 Å²	119	80.6 Å²	80.6	72%	0.721	42%	0.415	S	S	*	.	S	Bend	trans	-72.5	-9.2	179.3	-81.9	0	0	0	0	113.1
133	F	62.6	Low	72.9	Confident	99 Å²	99	79.3 Å²	79.3	43%	0.434	41%	0.41	S	S	.	.	S	Bend	trans	-131.1	125.5	178	-108.5	-96.4	0	0	0	112.1	D131 C154 P157	D131-F133 PolarHBondContact O-N 3.48Å; F133-C154 HydrophobicContact CB-CB 4.36Å; F133-C154 HydrophobicContact CD1-CB 3.45Å; F133-C154 VanDerWaalsContact CD1-CB 3.45Å; F133-C154 HydrophobicContact CE1-CB 4.16Å; F133-C154 HydrophobicContact CG-CB 4.26Å; F133-P157 HydrophobicContact CD2-CB 4.17Å; F133-P157 HydrophobicContact CD2-CG 4.46Å; F133-P157 HydrophobicContact CE2-CB 4.01Å
134	G	69.4	Low	72.2	Confident	15 Å²	15	78.3 Å²	78.3	16%	0.155	42%	0.419	C	S	.	.			trans	-73	160	172.8	0	0	0	0	0	111.9	Y125	Y125-G134 CarbonylContact O-C 3.39Å; Y125-G134 WeakPolarHBondContact O-CA 3.34Å
135	S	75.7	Confident	71.7	Confident	8 Å²	8	78.5 Å²	78.5	6%	0.056	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.9	167.3	-60	0	0	0	0	109.2	Y125 I127	Y125-S135 VanDerWaalsContact CD1-O 3.29Å; Y125-S135 WeakPolarHBondContact CD1-O 3.34Å; Y125-S135 PolarHBondContact N-O 3.45Å; Y125-S135 PolarHBondContact O-N 2.69Å; Y125-S135 VanDerWaalsContact O-O 3.07Å; I127-S135 VanDerWaalsContact CD1-OG 3.24Å; I127-S135 WeakPolarHBondContact CD1-OG 3.27Å
136	L	80.6	Confident	71.7	Confident	52 Å²	52	81.6 Å²	81.6	27%	0.272	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.4	176.3	176.4	66.1	0	0	0	108.5	F122 L124 V138 F152	F122-L136 HydrophobicContact CB-CD1 4.44Å; L124-L136 HydrophobicContact CB-CD1 4.24Å; L124-L136 HydrophobicContact CD1-CB 3.94Å; L124-L136 HydrophobicContact CD1-CD1 4.17Å; L136-V138 HydrophobicContact CD2-CG2 4.4Å; L136-V138 HydrophobicContact CG-CG2 4.24Å; L136-F152 HydrophobicContact CB-CB 4.48Å; L136-F152 PolarHBondContact N-O 2.97Å; L136-F152 PolarHBondContact O-N 3.14Å
137	S	81.8	Confident	71.9	Confident	16 Å²	16	79.7 Å²	79.7	11%	0.112	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.9	168.7	-164.4	0	0	0	0	109.7	F122 D123 D151	F122-S137 CarbonylContact C-O 3.49Å; F122-S137 WeakPolarHBondContact CA-O 3.36Å; D123-S137 PolarHBondContact N-O 2.82Å; D123-S137 PolarHBondContact O-N 3.39Å; S137-D151 WeakPolarHBondContact CB-OD1 2.87Å; S137-D151 PolarHBondContact OG-OD1 3.46Å
138	V	83.1	Confident	72.7	Confident	31 Å²	31	79.2 Å²	79.2	19%	0.188	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.3	171.4	-177.2	0	0	0	0	107.8	V120 T121 F122 L136 S149 A150 F152	V120-V138 HydrophobicContact CG1-CG1 4.21Å; T121-V138 CarbonylContact O-C 3.55Å; T121-V138 WeakPolarHBondContact O-CA 3.11Å; F122-V138 HydrophobicContact CD1-CB 4.47Å; F122-V138 HydrophobicContact CD1-CG1 4.07Å; F122-V138 HydrophobicContact CD1-CG2 3.76Å; F122-V138 HydrophobicContact CE1-CG1 3.84Å; F122-V138 HydrophobicContact CE1-CG2 4.08Å; F122-V138 HydrophobicContact CZ-CG1 4.39Å; L136-V138 HydrophobicContact CD2-CG2 4.4Å; L136-V138 HydrophobicContact CG-CG2 4.24Å; V138-S149 CarbonylContact O-C 3.53Å; V138-S149 VanDerWaalsContact O-CA 3.27Å; V138-S149 WeakPolarHBondContact O-CA 3.18Å; V138-A150 PolarHBondContact N-O 3.43Å; V138-A150 PolarHBondContact O-N 2.8Å; V138-F152 HydrophobicContact CB-CE2 4.08Å; V138-F152 HydrophobicContact CG2-CD2 3.86Å; V138-F152 HydrophobicContact CG2-CE2 3.74Å
139	K	86.6	Confident	74.1	Confident	87 Å²	87	80.8 Å²	80.8	38%	0.378	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	109.8	-178.1	-174.5	171.9	-176.1	171.8	0	110.8	V120 T121 V148	V120-K139 CarbonylContact C-O 3.53Å; V120-K139 WeakPolarHBondContact CA-O 3.35Å; T121-K139 PolarHBondContact N-O 2.75Å; T121-K139 PolarHBondContact O-N 2.78Å; T121-K139 PolarHBondContact OG1-O 3.43Å; K139-V148 CarbonylContact C-O 3.52Å; K139-V148 WeakPolarHBondContact CA-O 3.22Å
140	A	86.7	Confident	75	Confident	40 Å²	40	77.1 Å²	77.1	33%	0.331	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.5	170.3	0	0	0	0	0	109.7	R119 V120 S147 V148	R119-A140 CarbonylContact O-C 3.51Å; R119-A140 WeakPolarHBondContact O-CA 3.45Å; V120-A140 HydrophobicContact CG2-CB 4.26Å; A140-S147 CarbonylContact O-C 3.51Å; A140-S147 VanDerWaalsContact O-CA 3.28Å; A140-S147 WeakPolarHBondContact O-CA 2.94Å; A140-V148 PolarHBondContact N-O 2.72Å; A140-V148 PolarHBondContact O-N 2.86Å
141	T	82.5	Confident	76	Confident	12 Å²	12	72.6 Å²	72.6	7%	0.074	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	114.2	179.9	12.9	0	0	0	0	109.3	A118 R119 Y146 S147	A118-T141 CarbonylContact C-O 3.53Å; A118-T141 WeakPolarHBondContact CA-O 3.29Å; R119-T141 PolarHBondContact N-O 2.57Å; R119-T141 PolarHBondContact NE-OG1 2.78Å; R119-T141 PolarHBondContact O-N 2.81Å; R119-T141 PolarHBondContact O-OG1 2.83Å; T141-Y146 CarbonylContact C-O 3.4Å; T141-Y146 WeakPolarHBondContact CA-O 3.2Å; T141-S147 VanDerWaalsContact CG2-CB 3.4Å
142	F	79.7	Confident	76.7	Confident	96 Å²	96	73.9 Å²	73.9	42%	0.421	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.8	176	-177.1	-100.1	0	0	0	110.2	I117 A118 G144 L145 Y146	I117-F142 HydrophobicContact CG2-CD2 3.91Å; I117-F142 HydrophobicContact CG2-CE2 3.28Å; I117-F142 HydrophobicContact CG2-CZ 3.73Å; I117-F142 CarbonylContact O-C 3.49Å; I117-F142 WeakPolarHBondContact O-CA 3.18Å; I117-F142 WeakPolarHBondContact O-CD2 3.24Å; A118-F142 HydrophobicContact CB-CD2 4.19Å; F142-G144 PolarHBondContact O-N 2.79Å; F142-L145 PolarHBondContact O-N 3.44Å; F142-L145 VanDerWaalsContact O-N 3.15Å; F142-Y146 HydrophobicContact CD1-CD2 4.2Å; F142-Y146 PolarHBondContact N-O 3.22Å; F142-Y146 PolarHBondContact O-N 2.96Å; F142-Y146 VanDerWaalsContact O-N 3.13Å
143	Q	70.4	Confident	77.3	Confident	109 Å²	109	75.2 Å²	75.2	51%	0.509	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	20.6	-179.5	-60	-178.9	4.9	0	0	114.8	I117 L145	I117-Q143 HydrophobicContact CG2-CG 3.91Å; I117-Q143 PolarHBondContact O-N 2.7Å; Q143-L145 PolarHBondContact O-N 2.77Å
144	G	66.8	Low	77.2	Confident	61 Å²	61	72.7 Å²	72.7	63%	0.629	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	-5.9	-175.2	0	0	0	0	0	115.7	F142	F142-G144 PolarHBondContact O-N 2.79Å
145	L	68.8	Low	76.8	Confident	134 Å²	134	78.1 Å²	78.1	70%	0.702	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-30	-176.3	-73.5	155.2	0	0	0	112.7	F142 Q143	F142-L145 PolarHBondContact O-N 3.44Å; F142-L145 VanDerWaalsContact O-N 3.15Å; Q143-L145 PolarHBondContact O-N 2.77Å
146	Y	72	Confident	76.2	Confident	160 Å²	160	79.5 Å²	79.5	63%	0.627	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	104.5	-177	-58.3	-81	0	0	0	109.3	T141 F142	T141-Y146 CarbonylContact C-O 3.4Å; T141-Y146 WeakPolarHBondContact CA-O 3.2Å; F142-Y146 HydrophobicContact CD1-CD2 4.2Å; F142-Y146 PolarHBondContact N-O 3.22Å; F142-Y146 PolarHBondContact O-N 2.96Å; F142-Y146 VanDerWaalsContact O-N 3.13Å
147	S	79.4	Confident	75.4	Confident	73 Å²	73	80 Å²	80	51%	0.51	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.6	177.8	69.4	0	0	0	0	111.3	A140 T141	A140-S147 CarbonylContact O-C 3.51Å; A140-S147 VanDerWaalsContact O-CA 3.28Å; A140-S147 WeakPolarHBondContact O-CA 2.94Å; T141-S147 VanDerWaalsContact CG2-CB 3.4Å
148	V	84.2	Confident	74.7	Confident	105 Å²	105	87.9 Å²	87.9	64%	0.636	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.7	171.7	179.1	0	0	0	0	107.6	K139 A140	K139-V148 CarbonylContact C-O 3.52Å; K139-V148 WeakPolarHBondContact CA-O 3.22Å; A140-V148 PolarHBondContact N-O 2.72Å; A140-V148 PolarHBondContact O-N 2.86Å
149	S	85.6	Confident	74.3	Confident	74 Å²	74	93.1 Å²	93.1	52%	0.517	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136	173.2	52.7	0	0	0	0	110.4	V138	V138-S149 CarbonylContact O-C 3.53Å; V138-S149 VanDerWaalsContact O-CA 3.27Å; V138-S149 WeakPolarHBondContact O-CA 3.18Å
150	A	80.8	Confident	73.9	Confident	41 Å²	41	91.9 Å²	91.9	34%	0.339	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.1	175	0	0	0	0	0	109.2	V138 F152	V138-A150 PolarHBondContact N-O 3.43Å; V138-A150 PolarHBondContact O-N 2.8Å; A150-F152 HydrophobicContact CB-CE2 3.84Å; A150-F152 HydrophobicContact CB-CZ 4.03Å
151	D	80.3	Confident	73.5	Confident	101 Å²	101	95.1 Å²	95.1	54%	0.54	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.1	178.1	-63	-34.1	0	0	0	109.4	S137 Q153	S137-D151 WeakPolarHBondContact CB-OD1 2.87Å; S137-D151 PolarHBondContact OG-OD1 3.46Å; D151-Q153 PolarHBondContact O-N 2.96Å
152	F	74.2	Confident	73.6	Confident	118 Å²	118	101.8 Å²	101.8	52%	0.518	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	99.5	173.2	-59.7	-83.7	0	0	0	108.2	L136 V138 A150 C154	L136-F152 HydrophobicContact CB-CB 4.48Å; L136-F152 PolarHBondContact N-O 2.97Å; L136-F152 PolarHBondContact O-N 3.14Å; V138-F152 HydrophobicContact CB-CE2 4.08Å; V138-F152 HydrophobicContact CG2-CD2 3.86Å; V138-F152 HydrophobicContact CG2-CE2 3.74Å; A150-F152 HydrophobicContact CB-CE2 3.84Å; A150-F152 HydrophobicContact CB-CZ 4.03Å; F152-C154 PolarHBondContact O-N 2.75Å
153	Q	71.1	Confident	73.9	Confident	147 Å²	147	101.5 Å²	101.5	69%	0.687	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	109	167.1	-156.8	171.1	12.1	0	0	107	D151 L155	D151-Q153 PolarHBondContact O-N 2.96Å; Q153-L155 PolarHBondContact O-N 2.76Å
154	C	60.9	Low	74.7	Confident	47 Å²	47	100.3 Å²	100.3	32%	0.318	54%	0.539	S	S	.	.			trans	-59.8	102.2	179.7	-82.2	0	0	0	0	109.5	F133 F152 G156	F133-C154 HydrophobicContact CB-CB 4.36Å; F133-C154 HydrophobicContact CD1-CB 3.45Å; F133-C154 VanDerWaalsContact CD1-CB 3.45Å; F133-C154 HydrophobicContact CE1-CB 4.16Å; F133-C154 HydrophobicContact CG-CB 4.26Å; F152-C154 PolarHBondContact O-N 2.75Å; C154-G156 PolarHBondContact O-N 3.25Å
155	L	61	Low	75.8	Confident	128 Å²	128	102.5 Å²	102.5	67%	0.67	54%	0.536	S	S	*	.			trans	-60.9	93.1	176.1	-69.8	169.5	0	0	0	109.2	Q153 V160	Q153-L155 PolarHBondContact O-N 2.76Å; L155-V160 WeakPolarHBondContact O-CG2 3.35Å
156	G	63.4	Low	76.9	Confident	37 Å²	37	102.7 Å²	102.7	38%	0.381	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.8	126.3	166.7	0	0	0	0	0	117.9	C154 K158 K159 V160	C154-G156 PolarHBondContact O-N 3.25Å; G156-K158 PolarHBondContact O-N 2.94Å; G156-K159 PolarHBondContact O-N 3.47Å; G156-V160 PolarHBondContact O-N 3.47Å
157	P	64.1	Low	77.9	Confident	62 Å²	62	100.2 Å²	100.2	40%	0.403	52%	0.524	S	S	.	.	H	α-helix	trans	-54.5	-30.7	-175.1	20.5	-32.6	0	0	0	114.2	F133 L161	F133-P157 HydrophobicContact CD2-CB 4.17Å; F133-P157 HydrophobicContact CD2-CG 4.46Å; F133-P157 HydrophobicContact CE2-CB 4.01Å; P157-L161 WeakPolarHBondContact O-CB 3.41Å; P157-L161 PolarHBondContact O-N 3.45Å
158	K	66.6	Low	78.6	Confident	183 Å²	183	99.3 Å²	99.3	80%	0.796	52%	0.521	S	S	*	.	H	α-helix	trans	-67	-32.4	176.6	-66	-175.6	178.1	-179.8	0	114.1	G156 R162	G156-K158 PolarHBondContact O-N 2.94Å; K158-R162 VanDerWaalsContact O-CB 3.28Å; K158-R162 WeakPolarHBondContact O-CB 3.41Å; K158-R162 PolarHBondContact O-N 2.89Å
159	K	74.3	Confident	79.1	Confident	141 Å²	141	97 Å²	97	61%	0.613	51%	0.51	S	S	*	.	H	α-helix	trans	-81.7	-46.6	178.7	-73.1	-172	177.7	-176.2	0	110.6	G156 L161 R162 E163	G156-K159 PolarHBondContact O-N 3.47Å; K159-L161 PolarHBondContact O-N 2.84Å; K159-R162 WeakPolarHBondContact O-CB 2.87Å; K159-R162 PolarHBondContact O-N 2.95Å; K159-E163 PolarHBondContact O-N 3.34Å
160	V	78.1	Confident	79.5	Confident	60 Å²	60	97.3 Å²	97.3	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-59.5	-48.6	176.9	175.5	0	0	0	0	111.3	L155 G156 R162 E163 V164	L155-V160 WeakPolarHBondContact O-CG2 3.35Å; G156-V160 PolarHBondContact O-N 3.47Å; V160-R162 VanDerWaalsContact C-N 3.29Å; V160-R162 PolarHBondContact O-N 2.97Å; V160-E163 PolarHBondContact O-N 3.09Å; V160-V164 HydrophobicContact CG1-CG2 4.17Å; V160-V164 WeakPolarHBondContact O-CB 2.91Å; V160-V164 VanDerWaalsContact O-CG2 3.31Å; V160-V164 WeakPolarHBondContact O-CG2 3.34Å; V160-V164 PolarHBondContact O-N 3.42Å
161	L	79.6	Confident	80.2	Confident	109 Å²	109	100.8 Å²	100.8	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-60.4	-41.1	179.5	-178	62.3	0	0	0	111.7	P157 K159 V164 L165	P157-L161 WeakPolarHBondContact O-CB 3.41Å; P157-L161 PolarHBondContact O-N 3.45Å; K159-L161 PolarHBondContact O-N 2.84Å; L161-V164 PolarHBondContact O-N 3.37Å; L161-L165 HydrophobicContact CD1-CD1 4.1Å; L161-L165 HydrophobicContact CD1-CG 4.49Å; L161-L165 HydrophobicContact CG-CD1 3.85Å; L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.5Å; L161-L165 WeakPolarHBondContact O-CD1 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.49Å
162	R	84.6	Confident	81	Confident	151 Å²	151	102.3 Å²	102.3	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-62.1	-44.7	176.3	178.2	-179.1	-69.6	-166.8	-4	111.7	K158 K159 V160 L165 R166	K158-R162 VanDerWaalsContact O-CB 3.28Å; K158-R162 WeakPolarHBondContact O-CB 3.41Å; K158-R162 PolarHBondContact O-N 2.89Å; K159-R162 WeakPolarHBondContact O-CB 2.87Å; K159-R162 PolarHBondContact O-N 2.95Å; V160-R162 VanDerWaalsContact C-N 3.29Å; V160-R162 PolarHBondContact O-N 2.97Å; R162-L165 PolarHBondContact O-N 2.91Å; R162-R166 WeakPolarHBondContact O-CG 3.38Å; R162-R166 PolarHBondContact O-N 2.82Å
163	E	84.9	Confident	82	Confident	90 Å²	90	102.1 Å²	102.1	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-69.6	-39.8	179.5	-116.1	55.7	-130	0	0	112.1	K159 V160 R166 L167	K159-E163 PolarHBondContact O-N 3.34Å; V160-E163 PolarHBondContact O-N 3.09Å; E163-R166 WeakPolarHBondContact O-CB 3.46Å; E163-R166 PolarHBondContact O-N 3.33Å; E163-R166 WeakPolarHBondContact OE1-CD 3.41Å; E163-R166 IonicContact OE1-CZ 3.77Å; E163-R166 IonicContact OE1-NH1 2.76Å; E163-R166 PolarHBondContact OE1-NH1 2.97Å; E163-R166 IonicContact OE2-NH1 3.69Å; E163-L167 WeakPolarHBondContact O-CB 3.31Å; E163-L167 PolarHBondContact O-N 2.86Å
164	V	87.9	Confident	83.2	Confident	84 Å²	84	98 Å²	98	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-43.4	174.3	171.7	0	0	0	0	110.9	V160 L161 R166 L167 A168	V160-V164 HydrophobicContact CG1-CG2 4.17Å; V160-V164 WeakPolarHBondContact O-CB 2.91Å; V160-V164 VanDerWaalsContact O-CG2 3.31Å; V160-V164 WeakPolarHBondContact O-CG2 3.34Å; V160-V164 PolarHBondContact O-N 3.42Å; L161-V164 PolarHBondContact O-N 3.37Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.24Å; V164-L167 PolarHBondContact O-N 3.49Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 2.89Å
165	L	89.1	Confident	84.9	Confident	108 Å²	108	97.9 Å²	97.9	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-61.1	-39.8	174.7	-82.3	158.4	0	0	0	111.8	L161 R162 S169	L161-L165 HydrophobicContact CD1-CD1 4.1Å; L161-L165 HydrophobicContact CD1-CG 4.49Å; L161-L165 HydrophobicContact CG-CD1 3.85Å; L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.5Å; L161-L165 WeakPolarHBondContact O-CD1 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.49Å; R162-L165 PolarHBondContact O-N 2.91Å; L165-S169 VanDerWaalsContact O-CB 3.32Å; L165-S169 WeakPolarHBondContact O-CB 3.33Å; L165-S169 PolarHBondContact O-N 3.44Å
166	R	92	Very high	86.6	Confident	137 Å²	137	93 Å²	93	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-43.7	174.2	-76.4	171.3	173.8	176.7	-7	112	R162 E163 V164 S169 T170	R162-R166 WeakPolarHBondContact O-CG 3.38Å; R162-R166 PolarHBondContact O-N 2.82Å; E163-R166 WeakPolarHBondContact O-CB 3.46Å; E163-R166 PolarHBondContact O-N 3.33Å; E163-R166 WeakPolarHBondContact OE1-CD 3.41Å; E163-R166 IonicContact OE1-CZ 3.77Å; E163-R166 IonicContact OE1-NH1 2.76Å; E163-R166 PolarHBondContact OE1-NH1 2.97Å; E163-R166 IonicContact OE2-NH1 3.69Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.24Å; R166-S169 PolarHBondContact O-N 3.23Å; R166-T170 WeakPolarHBondContact O-CG2 3.45Å; R166-T170 PolarHBondContact O-N 3.29Å; R166-T170 PolarHBondContact O-OG1 3.32Å; R166-T170 VanDerWaalsContact O-OG1 3.09Å
167	L	92.9	Very high	88.1	Confident	108 Å²	108	97.6 Å²	97.6	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-62.9	-47	176.3	-113.7	153.5	0	0	0	111.6	E163 V164 S169 T170 L171	E163-L167 WeakPolarHBondContact O-CB 3.31Å; E163-L167 PolarHBondContact O-N 2.86Å; V164-L167 PolarHBondContact O-N 3.49Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.19Å; L167-T170 PolarHBondContact O-N 2.9Å; L167-T170 PolarHBondContact O-OG1 3Å; L167-L171 HydrophobicContact CD2-CD1 4.34Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.02Å
168	A	94.1	Very high	89.6	Confident	54 Å²	54	100.5 Å²	100.5	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176	0	0	0	0	0	111.6	V164 L171 L172	V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 2.89Å; A168-L171 PolarHBondContact O-N 3.43Å; A168-L172 VanDerWaalsContact O-CB 3.27Å; A168-L172 WeakPolarHBondContact O-CB 3.44Å; A168-L172 PolarHBondContact O-N 2.94Å
169	S	94.8	Very high	91	Very high	58 Å²	58	97.3 Å²	97.3	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-62.8	-44.7	177.8	-174.5	0	0	0	0	112.3	L165 R166 L167 L172 Q173	L165-S169 VanDerWaalsContact O-CB 3.32Å; L165-S169 WeakPolarHBondContact O-CB 3.33Å; L165-S169 PolarHBondContact O-N 3.44Å; R166-S169 PolarHBondContact O-N 3.23Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.19Å; S169-L172 PolarHBondContact O-N 3.01Å; S169-Q173 WeakPolarHBondContact O-CB 3.34Å; S169-Q173 VanDerWaalsContact O-CG 3.23Å; S169-Q173 WeakPolarHBondContact O-CG 3.24Å; S169-Q173 PolarHBondContact O-N 3.35Å
170	T	94.8	Very high	92	Very high	79 Å²	79	96 Å²	96	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-39.9	179.3	50.5	0	0	0	0	112	R166 L167 Q173 A174	R166-T170 WeakPolarHBondContact O-CG2 3.45Å; R166-T170 PolarHBondContact O-N 3.29Å; R166-T170 PolarHBondContact O-OG1 3.32Å; R166-T170 VanDerWaalsContact O-OG1 3.09Å; L167-T170 PolarHBondContact O-N 2.9Å; L167-T170 PolarHBondContact O-OG1 3Å; T170-Q173 PolarHBondContact O-N 3.08Å; T170-A174 WeakPolarHBondContact O-CB 3.29Å; T170-A174 PolarHBondContact O-N 2.96Å
171	L	96.3	Very high	92.8	Very high	115 Å²	115	96.7 Å²	96.7	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-44.6	174.2	-74.6	171.8	0	0	0	111.9	L167 A168 A174 A175	L167-L171 HydrophobicContact CD2-CD1 4.34Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.02Å; A168-L171 PolarHBondContact O-N 3.43Å; L171-A174 PolarHBondContact O-N 2.97Å; L171-A175 WeakPolarHBondContact O-CB 3.46Å; L171-A175 PolarHBondContact O-N 2.69Å
172	L	96	Very high	93.5	Very high	132 Å²	132	94 Å²	94	69%	0.691	51%	0.511	S	S	*	.	H	α-helix	trans	-67.5	-37.9	-179.9	-167.4	65.4	0	0	0	111.6	A168 S169 A175 G176	A168-L172 VanDerWaalsContact O-CB 3.27Å; A168-L172 WeakPolarHBondContact O-CB 3.44Å; A168-L172 PolarHBondContact O-N 2.94Å; S169-L172 PolarHBondContact O-N 3.01Å; L172-A175 PolarHBondContact O-N 2.94Å; L172-G176 PolarHBondContact O-N 3.27Å
173	Q	95.4	Very high	94	Very high	115 Å²	115	89.2 Å²	89.2	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-47.6	172.4	-76.3	171.5	-21.3	0	0	111.5	S169 T170 A175 G176 H177	S169-Q173 WeakPolarHBondContact O-CB 3.34Å; S169-Q173 VanDerWaalsContact O-CG 3.23Å; S169-Q173 WeakPolarHBondContact O-CG 3.24Å; S169-Q173 PolarHBondContact O-N 3.35Å; T170-Q173 PolarHBondContact O-N 3.08Å; Q173-A175 PolarHBondContact O-N 3.47Å; Q173-G176 PolarHBondContact O-N 2.93Å; Q173-H177 PolarHBondContact O-CD2 3.5Å; Q173-H177 PolarHBondContact O-N 3.46Å
174	A	96.6	Very high	94.2	Very high	60 Å²	60	87.6 Å²	87.6	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-43.9	177.1	0	0	0	0	0	112	T170 L171 G176 H177 L178	T170-A174 WeakPolarHBondContact O-CB 3.29Å; T170-A174 PolarHBondContact O-N 2.96Å; L171-A174 PolarHBondContact O-N 2.97Å; A174-G176 PolarHBondContact O-N 3.15Å; A174-H177 PolarHBondContact O-N 3.22Å; A174-L178 WeakPolarHBondContact O-CB 3.31Å; A174-L178 PolarHBondContact O-N 3.33Å
175	A	96.9	Very high	94.3	Very high	44 Å²	44	89.3 Å²	89.3	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-42.3	175.1	0	0	0	0	0	111.7	L171 L172 Q173 H177 L178 L179	L171-A175 WeakPolarHBondContact O-CB 3.46Å; L171-A175 PolarHBondContact O-N 2.69Å; L172-A175 PolarHBondContact O-N 2.94Å; Q173-A175 PolarHBondContact O-N 3.47Å; A175-H177 PolarHBondContact O-N 2.92Å; A175-L178 WeakPolarHBondContact O-CB 3.33Å; A175-L178 PolarHBondContact O-N 2.95Å; A175-L179 VanDerWaalsContact O-CG 3.31Å; A175-L179 WeakPolarHBondContact O-CG 3.49Å; A175-L179 PolarHBondContact O-N 2.87Å
176	G	96.1	Very high	94.5	Very high	27 Å²	27	88.9 Å²	88.9	28%	0.278	50%	0.503	S	S	.	.	H	α-helix	trans	-59.8	-45.6	174.9	0	0	0	0	0	112.4	L172 Q173 A174 L178 L179 I180	L172-G176 PolarHBondContact O-N 3.27Å; Q173-G176 PolarHBondContact O-N 2.93Å; A174-G176 PolarHBondContact O-N 3.15Å; G176-L178 VanDerWaalsContact C-N 3.34Å; G176-L178 PolarHBondContact O-N 3.5Å; G176-L179 PolarHBondContact O-N 3.47Å; G176-I180 VanDerWaalsContact O-CG1 3.31Å; G176-I180 WeakPolarHBondContact O-CG1 3.04Å; G176-I180 PolarHBondContact O-N 2.86Å
177	H	94.9	Very high	94.2	Very high	132 Å²	132	90.7 Å²	90.7	61%	0.611	51%	0.51	S	S	*	.	H	α-helix	trans	-62.9	-39.3	174.6	-79.5	-70.1	0	0	0	112.4	Q173 A174 A175 L179 I180 T181	Q173-H177 PolarHBondContact O-CD2 3.5Å; Q173-H177 PolarHBondContact O-N 3.46Å; A174-H177 PolarHBondContact O-N 3.22Å; A175-H177 PolarHBondContact O-N 2.92Å; H177-L179 VanDerWaalsContact C-N 3.33Å; H177-L179 PolarHBondContact O-N 3.49Å; H177-I180 PolarHBondContact O-N 3.47Å; H177-T181 WeakPolarHBondContact O-CB 3.27Å; H177-T181 VanDerWaalsContact O-CG2 3.24Å; H177-T181 WeakPolarHBondContact O-CG2 3.48Å; H177-T181 PolarHBondContact O-N 3.46Å; H177-T181 PolarHBondContact O-OG1 2.82Å
178	L	95.9	Very high	93.8	Very high	123 Å²	123	94.6 Å²	94.6	64%	0.644	52%	0.517	S	S	*	.	H	α-helix	trans	-63.1	-39.7	176	-166.5	77.6	0	0	0	111.8	A174 A175 G176 T181 S182	A174-L178 WeakPolarHBondContact O-CB 3.31Å; A174-L178 PolarHBondContact O-N 3.33Å; A175-L178 WeakPolarHBondContact O-CB 3.33Å; A175-L178 PolarHBondContact O-N 2.95Å; G176-L178 VanDerWaalsContact C-N 3.34Å; G176-L178 PolarHBondContact O-N 3.5Å; L178-T181 WeakPolarHBondContact CA-OG1 3.46Å; L178-T181 PolarHBondContact O-OG1 3.28Å; L178-S182 VanDerWaalsContact O-CB 3.29Å; L178-S182 WeakPolarHBondContact O-CB 3.27Å; L178-S182 PolarHBondContact O-N 2.94Å; L178-S182 PolarHBondContact O-OG 3.24Å
179	L	96.1	Very high	93.5	Very high	116 Å²	116	96.5 Å²	96.5	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-71.8	-39.6	179	-70.1	172.8	0	0	0	112.5	A175 G176 H177 S182 A183	A175-L179 VanDerWaalsContact O-CG 3.31Å; A175-L179 WeakPolarHBondContact O-CG 3.49Å; A175-L179 PolarHBondContact O-N 2.87Å; G176-L179 PolarHBondContact O-N 3.47Å; H177-L179 VanDerWaalsContact C-N 3.33Å; H177-L179 PolarHBondContact O-N 3.49Å; L179-S182 WeakPolarHBondContact CA-OG 3.37Å; L179-S182 PolarHBondContact O-OG 3.22Å; L179-A183 VanDerWaalsContact O-CB 3.26Å; L179-A183 WeakPolarHBondContact O-CB 3.39Å; L179-A183 PolarHBondContact O-N 2.94Å
180	I	95.6	Very high	93.2	Very high	115 Å²	115	98 Å²	98	59%	0.59	53%	0.526	S	S	*	.	H	α-helix	trans	-69.6	-41.2	177.5	-66.3	165.2	0	0	0	110.6	G176 H177 A183 S184	G176-I180 VanDerWaalsContact O-CG1 3.31Å; G176-I180 WeakPolarHBondContact O-CG1 3.04Å; G176-I180 PolarHBondContact O-N 2.86Å; H177-I180 PolarHBondContact O-N 3.47Å; I180-A183 PolarHBondContact O-N 2.9Å; I180-S184 WeakPolarHBondContact O-CB 3.45Å; I180-S184 PolarHBondContact O-N 3.27Å; I180-S184 PolarHBondContact O-OG 3.2Å
181	T	94.4	Very high	92.5	Very high	74 Å²	74	100.3 Å²	100.3	45%	0.454	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-41.2	176.2	50.1	0	0	0	0	111.5	H177 L178 S184 M185	H177-T181 WeakPolarHBondContact O-CB 3.27Å; H177-T181 VanDerWaalsContact O-CG2 3.24Å; H177-T181 WeakPolarHBondContact O-CG2 3.48Å; H177-T181 PolarHBondContact O-N 3.46Å; H177-T181 PolarHBondContact O-OG1 2.82Å; L178-T181 WeakPolarHBondContact CA-OG1 3.46Å; L178-T181 PolarHBondContact O-OG1 3.28Å; T181-S184 WeakPolarHBondContact CA-OG 3.33Å; T181-S184 PolarHBondContact O-OG 2.92Å; T181-M185 WeakPolarHBondContact O-CB 3.32Å; T181-M185 WeakPolarHBondContact O-CG 3.37Å; T181-M185 PolarHBondContact O-N 2.96Å
182	S	94.9	Very high	91.3	Very high	53 Å²	53	96.5 Å²	96.5	37%	0.371	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-43.4	174.6	69.7	0	0	0	0	112	L178 L179 S184 M185 I186	L178-S182 VanDerWaalsContact O-CB 3.29Å; L178-S182 WeakPolarHBondContact O-CB 3.27Å; L178-S182 PolarHBondContact O-N 2.94Å; L178-S182 PolarHBondContact O-OG 3.24Å; L179-S182 WeakPolarHBondContact CA-OG 3.37Å; L179-S182 PolarHBondContact O-OG 3.22Å; S182-S184 PolarHBondContact O-N 3.35Å; S182-M185 PolarHBondContact O-N 3.45Å; S182-I186 WeakPolarHBondContact O-CD1 3.26Å; S182-I186 VanDerWaalsContact O-CG1 3.27Å; S182-I186 WeakPolarHBondContact O-CG1 3.23Å; S182-I186 PolarHBondContact O-N 3.26Å
183	A	93.4	Very high	89.7	Confident	49 Å²	49	94 Å²	94	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-40.7	177.8	0	0	0	0	0	112.9	L179 I180 I186 R187	L179-A183 VanDerWaalsContact O-CB 3.26Å; L179-A183 WeakPolarHBondContact O-CB 3.39Å; L179-A183 PolarHBondContact O-N 2.94Å; I180-A183 PolarHBondContact O-N 2.9Å; A183-I186 PolarHBondContact O-N 3.47Å; A183-R187 PolarHBondContact O-N 2.98Å
184	S	89.7	Confident	88	Confident	56 Å²	56	94.7 Å²	94.7	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-68.8	-36.3	176.4	57.4	0	0	0	0	112.7	I180 T181 S182 R187 R188	I180-S184 WeakPolarHBondContact O-CB 3.45Å; I180-S184 PolarHBondContact O-N 3.27Å; I180-S184 PolarHBondContact O-OG 3.2Å; T181-S184 WeakPolarHBondContact CA-OG 3.33Å; T181-S184 PolarHBondContact O-OG 2.92Å; S182-S184 PolarHBondContact O-N 3.35Å; S184-R187 PolarHBondContact O-N 2.6Å; S184-R188 PolarHBondContact O-N 3.42Å
185	M	91.3	Very high	86	Confident	121 Å²	121	98.6 Å²	98.6	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-60.8	-46.4	170.9	-82.9	-71.6	-73.5	0	0	111.4	T181 S182 R187 R188 V189	T181-M185 WeakPolarHBondContact O-CB 3.32Å; T181-M185 WeakPolarHBondContact O-CG 3.37Å; T181-M185 PolarHBondContact O-N 2.96Å; S182-M185 PolarHBondContact O-N 3.45Å; M185-R187 PolarHBondContact O-N 3.39Å; M185-R188 PolarHBondContact O-N 2.97Å; M185-V189 WeakPolarHBondContact O-CG2 3.39Å; M185-V189 PolarHBondContact O-N 3.47Å
186	I	91.5	Very high	83.8	Confident	99 Å²	99	106.6 Å²	106.6	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-62	-43.9	178.2	-67	162.4	0	0	0	110.9	S182 A183 R188 V189 I190	S182-I186 WeakPolarHBondContact O-CD1 3.26Å; S182-I186 VanDerWaalsContact O-CG1 3.27Å; S182-I186 WeakPolarHBondContact O-CG1 3.23Å; S182-I186 PolarHBondContact O-N 3.26Å; A183-I186 PolarHBondContact O-N 3.47Å; I186-R188 PolarHBondContact O-N 2.93Å; I186-V189 PolarHBondContact O-N 2.93Å; I186-I190 HydrophobicContact CG2-CD1 3.76Å; I186-I190 HydrophobicContact CG2-CG1 4.41Å; I186-I190 WeakPolarHBondContact O-CG1 3.33Å; I186-I190 PolarHBondContact O-N 3.15Å
187	R	85.8	Confident	81.5	Confident	174 Å²	174	111 Å²	111	66%	0.657	56%	0.559	S	S	*	*	H	α-helix	trans	-58.5	-45.2	175	-77.9	179.9	-179.2	-109.4	1.1	112.4	A183 S184 M185 V189 I190 E191	A183-R187 PolarHBondContact O-N 2.98Å; S184-R187 PolarHBondContact O-N 2.6Å; M185-R187 PolarHBondContact O-N 3.39Å; R187-V189 VanDerWaalsContact C-N 3.3Å; R187-V189 PolarHBondContact O-N 3.28Å; R187-I190 PolarHBondContact O-N 3.41Å; R187-E191 WeakPolarHBondContact O-CG 3.31Å; R187-E191 PolarHBondContact O-N 3.1Å
188	R	84.9	Confident	79.3	Confident	190 Å²	190	108.7 Å²	108.7	72%	0.717	56%	0.556	S	S	*	*	H	α-helix	trans	-62.7	-36.7	176.4	-78.9	-175.4	163.4	165.2	-2.7	113	S184 M185 I186 G192	S184-R188 PolarHBondContact O-N 3.42Å; M185-R188 PolarHBondContact O-N 2.97Å; I186-R188 PolarHBondContact O-N 2.93Å; R188-G192 PolarHBondContact O-N 2.86Å
189	V	89	Confident	77	Confident	94 Å²	94	108.6 Å²	108.6	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-65	-47	174.4	171.9	0	0	0	0	110	M185 I186 R187 G192 T193	M185-V189 WeakPolarHBondContact O-CG2 3.39Å; M185-V189 PolarHBondContact O-N 3.47Å; I186-V189 PolarHBondContact O-N 2.93Å; R187-V189 VanDerWaalsContact C-N 3.3Å; R187-V189 PolarHBondContact O-N 3.28Å; V189-G192 CarbonylContact O-C 3.49Å; V189-G192 PolarHBondContact O-N 3.21Å; V189-T193 PolarHBondContact O-N 3.49Å; V189-T193 PolarHBondContact O-OG1 3.23Å
190	I	87.2	Confident	74.6	Confident	91 Å²	91	112.9 Å²	112.9	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-50.1	-179.8	-65.2	166.1	0	0	0	111.4	I186 R187 G192 T193 E194	I186-I190 HydrophobicContact CG2-CD1 3.76Å; I186-I190 HydrophobicContact CG2-CG1 4.41Å; I186-I190 WeakPolarHBondContact O-CG1 3.33Å; I186-I190 PolarHBondContact O-N 3.15Å; R187-I190 PolarHBondContact O-N 3.41Å; I190-G192 VanDerWaalsContact C-N 3.26Å; I190-G192 PolarHBondContact O-N 3.28Å; I190-T193 VanDerWaalsContact CA-OG1 3.32Å; I190-T193 WeakPolarHBondContact CA-OG1 3.35Å; I190-T193 CarbonylContact O-C 3.58Å; I190-T193 WeakPolarHBondContact O-CA 3.28Å; I190-T193 PolarHBondContact O-N 3.42Å; I190-T193 PolarHBondContact O-OG1 3.19Å; I190-E194 HydrophobicContact CG2-CG 4.38Å; I190-E194 WeakPolarHBondContact O-CG 3.32Å; I190-E194 PolarHBondContact O-N 2.95Å
191	E	81.6	Confident	72.4	Confident	126 Å²	126	111 Å²	111	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-60.4	-38.2	175.6	-72.3	169.3	-170.3	0	0	111.5	R187 T193 L195	R187-E191 WeakPolarHBondContact O-CG 3.31Å; R187-E191 PolarHBondContact O-N 3.1Å; E191-T193 VanDerWaalsContact C-N 3.29Å; E191-T193 PolarHBondContact O-N 2.84Å; E191-L195 PolarHBondContact O-N 3.42Å
192	G	71.1	Confident	70.2	Confident	36 Å²	36	114.4 Å²	114.4	37%	0.371	57%	0.572	S	S	.	*	H	α-helix	trans	-64.7	-30.3	171.2	0	0	0	0	0	113.3	R188 V189 I190 W196	R188-G192 PolarHBondContact O-N 2.86Å; V189-G192 CarbonylContact O-C 3.49Å; V189-G192 PolarHBondContact O-N 3.21Å; I190-G192 VanDerWaalsContact C-N 3.26Å; I190-G192 PolarHBondContact O-N 3.28Å; G192-W196 VanDerWaalsContact O-CD1 3.29Å
193	T	62.2	Low	68.1	Low	78 Å²	78	119.1 Å²	119.1	48%	0.479	58%	0.583	S	S	.	*	H	α-helix	trans	-81.2	-35.4	177.7	0.2	0	0	0	0	112.3	V189 I190 E191 L195 W196 Q197	V189-T193 PolarHBondContact O-N 3.49Å; V189-T193 PolarHBondContact O-OG1 3.23Å; I190-T193 VanDerWaalsContact CA-OG1 3.32Å; I190-T193 WeakPolarHBondContact CA-OG1 3.35Å; I190-T193 CarbonylContact O-C 3.58Å; I190-T193 WeakPolarHBondContact O-CA 3.28Å; I190-T193 PolarHBondContact O-N 3.42Å; I190-T193 PolarHBondContact O-OG1 3.19Å; E191-T193 VanDerWaalsContact C-N 3.29Å; E191-T193 PolarHBondContact O-N 2.84Å; T193-L195 VanDerWaalsContact C-N 3.27Å; T193-L195 PolarHBondContact O-N 3.45Å; T193-W196 PolarHBondContact O-N 3Å; T193-W196 VanDerWaalsContact O-N 3.1Å; T193-Q197 PolarHBondContact O-N 3.43Å; T193-Q197 VanDerWaalsContact O-N 3.15Å
194	E	59.6	Low	66.1	Low	131 Å²	131	120.7 Å²	120.7	61%	0.612	60%	0.596	S	S	*	*	H	α-helix	trans	-62.8	-33.5	173.7	-69.1	-82.4	117.7	0	0	111.3	I190 W196 Q197 P198	I190-E194 HydrophobicContact CG2-CG 4.38Å; I190-E194 WeakPolarHBondContact O-CG 3.32Å; I190-E194 PolarHBondContact O-N 2.95Å; E194-W196 VanDerWaalsContact C-N 3.28Å; E194-W196 PolarHBondContact O-N 2.91Å; E194-Q197 PolarHBondContact O-N 2.96Å; E194-P198 WeakPolarHBondContact O-CD 3.42Å
195	L	53.3	Low	64.3	Low	142 Å²	142	122.3 Å²	122.3	74%	0.743	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-20.4	174.5	-139.1	95.8	0	0	0	113.7	E191 T193 P198	E191-L195 PolarHBondContact O-N 3.42Å; T193-L195 VanDerWaalsContact C-N 3.27Å; T193-L195 PolarHBondContact O-N 3.45Å; L195-P198 WeakPolarHBondContact O-CD 3.15Å; L195-P198 WeakPolarHBondContact O-CG 3.33Å
196	W	50.9	Low	62.3	Low	212 Å²	212	121.4 Å²	121.4	80%	0.803	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-8.2	173	-83.2	88.5	0	0	0	113.1	G192 T193 E194	G192-W196 VanDerWaalsContact O-CD1 3.29Å; T193-W196 PolarHBondContact O-N 3Å; T193-W196 VanDerWaalsContact O-N 3.1Å; E194-W196 VanDerWaalsContact C-N 3.28Å; E194-W196 PolarHBondContact O-N 2.91Å
197	Q	47.8	Very low	60.4	Low	120 Å²	120	127.3 Å²	127.3	56%	0.561	63%	0.63	S	S	*	*	S	Bend	trans	-84.8	-13	173.9	-81.5	-119	-45.3	0	0	117.5	T193 E194 Q199 R200	T193-Q197 PolarHBondContact O-N 3.43Å; T193-Q197 VanDerWaalsContact O-N 3.15Å; E194-Q197 PolarHBondContact O-N 2.96Å; Q197-Q199 PolarHBondContact O-N 2.92Å; Q197-R200 PolarHBondContact O-N 3.45Å
198	P	48.3	Very low	58.3	Low	83 Å²	83	131.4 Å²	131.4	54%	0.539	66%	0.656	S	S	.	*	H	α-helix	trans	-71.7	-21.9	-179.7	19.1	-12	0	0	0	111.6	E194 L195 R200	E194-P198 WeakPolarHBondContact O-CD 3.42Å; L195-P198 WeakPolarHBondContact O-CD 3.15Å; L195-P198 WeakPolarHBondContact O-CG 3.33Å; P198-R200 PolarHBondContact O-N 2.97Å
199	Q	47.7	Very low	56.9	Low	120 Å²	120	128.5 Å²	128.5	56%	0.561	65%	0.653	S	S	*	*	H	α-helix	trans	-82.3	-10.1	-178.2	-131.2	-168.4	-36.8	0	0	114.1	Q197 Y203	Q197-Q199 PolarHBondContact O-N 2.92Å; Q199-Y203 HydrophobicContact CG-CE2 4.04Å; Q199-Y203 PolarHBondContact NE2-OH 2.88Å; Q199-Y203 WeakPolarHBondContact O-CD2 3.31Å; Q199-Y203 WeakPolarHBondContact O-CE2 3.47Å
200	R	47.3	Very low	55.2	Low	207 Å²	207	130.3 Å²	130.3	78%	0.781	66%	0.657	S	S	*	*	H	α-helix	trans	-98.3	-20	-178.7	-147.4	-172.3	-70	-165.6	-0.2	114	Q197 P198	Q197-R200 PolarHBondContact O-N 3.45Å; P198-R200 PolarHBondContact O-N 2.97Å
201	A	48.9	Very low	53.5	Low	74 Å²	74	132.4 Å²	132.4	61%	0.612	67%	0.668	S	S	*	*	H	α-helix	trans	-83	-25	177.7	0	0	0	0	0	113.1
202	E	47.9	Very low	51.8	Low	146 Å²	146	132.8 Å²	132.8	68%	0.682	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-18.7	-174.5	-133.2	167.1	-166.4	0	0	114	T206	E202-T206 PolarHBondContact O-OG1 3.21Å
203	Y	51.4	Low	50.6	Low	152 Å²	152	138.9 Å²	138.9	60%	0.596	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-11.6	176.3	-59.9	-66.7	0	0	0	114.3	Q199	Q199-Y203 HydrophobicContact CG-CE2 4.04Å; Q199-Y203 PolarHBondContact NE2-OH 2.88Å; Q199-Y203 WeakPolarHBondContact O-CD2 3.31Å; Q199-Y203 WeakPolarHBondContact O-CE2 3.47Å
204	A	51.8	Low	49.8	Very low	83 Å²	83	142.9 Å²	142.9	69%	0.686	71%	0.706	S	S	*	*	S	Bend	trans	-91.3	-15.6	-179	0	0	0	0	0	113.4
205	A	50.6	Low	49.1	Very low	89 Å²	89	143.8 Å²	143.8	74%	0.736	71%	0.712	S	S	*	*	S	Bend	trans	-98.5	0	-176.7	0	0	0	0	0	114.4
206	T	49.3	Very low	48.8	Very low	102 Å²	102	143.9 Å²	143.9	63%	0.626	71%	0.71	S	S	*	*	S	Bend	trans	-98.3	5.1	-176.9	-6.6	0	0	0	0	114.4	E202	E202-T206 PolarHBondContact O-OG1 3.21Å
207	W	52.2	Low	48.6	Very low	224 Å²	224	138.3 Å²	138.3	85%	0.848	70%	0.702	S	S	*	*			trans	-132.1	73.5	177.8	-61.6	104.1	0	0	0	111.1
208	H	40.5	Very low	48.7	Very low	259 Å²	259	139.9 Å²	139.9	100%	1.199	72%	0.715	S	S	*	*			trans	-160.8	0	149.6	-126.5	-65.8	0	0	0	112.9

Retrieved 208 of 208 residues in 119.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).