A0A087YHQ4_POEFO Loading...

Protein lin-7 homolog

Plays a role in establishing and maintaining the asymmetric distribution of channels and receptors at the plasma membrane of polarized cells.

AlphaFold DB , UniProt , Accession A0A087YHQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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	35.7	Very low	50.2	Low	243 Å²	243	121.1 Å²	121.1	100%	1.197	69%	0.69	S	S	*	*				0	111.3	0	-66	-148.3	-178.3	0	0	107.4	T3	M1-T3 PolarHBondContact O-N 3.17Å
2	A	34.5	Very low	52.4	Low	97 Å²	97	121.5 Å²	121.5	80%	0.802	67%	0.673	S	S	*	*			trans	-66.3	116.8	-179.8	0	0	0	0	0	108.7	V4	A2-V4 PolarHBondContact O-N 2.87Å
3	T	38	Very low	54.5	Low	127 Å²	127	116.5 Å²	116.5	78%	0.779	64%	0.644	S	S	*	*			trans	-63.7	103.2	168.6	35.9	0	0	0	0	107.1	M1 V5	M1-T3 PolarHBondContact O-N 3.17Å; T3-V5 PolarHBondContact O-N 3.46Å
4	V	39	Very low	56.4	Low	122 Å²	122	109.4 Å²	109.4	74%	0.739	61%	0.606	S	S	*	*			trans	-59.5	102.3	170.6	178.2	0	0	0	0	106.5	A2 Q6	A2-V4 PolarHBondContact O-N 2.87Å; V4-Q6 VanDerWaalsContact C-N 3.27Å; V4-Q6 HydrophobicContact CG1-CG 4.16Å; V4-Q6 PolarHBondContact O-N 3.43Å
5	V	44.7	Very low	58.1	Low	131 Å²	131	106.1 Å²	106.1	79%	0.794	60%	0.598	S	S	*	*			trans	-69.4	93.9	171.4	-178.6	0	0	0	0	105.7	T3	T3-V5 PolarHBondContact O-N 3.46Å
6	Q	49.7	Very low	59.8	Low	102 Å²	102	109.1 Å²	109.1	48%	0.477	60%	0.597	S	S	.	*			trans	-65.9	147.5	176.9	-73.9	180	-28.7	0	0	109.7	V4 L8	V4-Q6 VanDerWaalsContact C-N 3.27Å; V4-Q6 HydrophobicContact CG1-CG 4.16Å; V4-Q6 PolarHBondContact O-N 3.43Å; Q6-L8 PolarHBondContact O-N 3.34Å
7	P	48.7	Very low	61.3	Low	110 Å²	110	104.7 Å²	104.7	71%	0.714	58%	0.579	S	S	*	*			trans	-59.2	128.2	-179.5	-18.2	30.1	0	0	0	110.4	T9	P7-T9 PolarHBondContact O-N 2.93Å
8	L	48.8	Very low	62.6	Low	132 Å²	132	100.3 Å²	100.3	69%	0.691	55%	0.554	S	S	*	*			trans	-72.8	112.3	176.1	-67.8	163.5	0	0	0	108.3	Q6 D13	Q6-L8 PolarHBondContact O-N 3.34Å; L8-D13 WeakPolarHBondContact CD2-OD1 3.25Å
9	T	68.7	Low	63.8	Low	76 Å²	76	99.8 Å²	99.8	47%	0.466	55%	0.547	S	S	.	.			trans	-105.1	133.2	167.9	62.8	0	0	0	0	108.3	P7 E11 R12 D13	P7-T9 PolarHBondContact O-N 2.93Å; T9-E11 PolarHBondContact O-N 3.42Å; T9-E11 VanDerWaalsContact O-N 3.09Å; T9-R12 WeakPolarHBondContact O-CB 3.19Å; T9-R12 PolarHBondContact O-N 2.95Å; T9-R12 WeakPolarHBondContact OG1-CB 3.46Å; T9-D13 PolarHBondContact O-N 2.9Å
10	L	70.7	Confident	64.9	Low	68 Å²	68	99.2 Å²	99.2	36%	0.356	54%	0.542	S	S	.	.	H	α-helix	trans	-52.7	-37.2	-174.4	-177.1	63.9	0	0	0	112.5	D13 V14 R51 Y54	L10-D13 PolarHBondContact O-N 3.03Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 3.13Å; L10-V14 VanDerWaalsContact O-N 3.09Å; L10-R51 HydrophobicContact CD2-CB 3.94Å; L10-R51 HydrophobicContact CD2-CG 3.73Å; L10-R51 HydrophobicContact CG-CG 4.14Å; L10-Y54 HydrophobicContact CD2-CD1 3.61Å; L10-Y54 HydrophobicContact CD2-CE1 4.27Å; L10-Y54 HydrophobicContact CD2-CG 4.08Å
11	E	73.5	Confident	65.8	Low	124 Å²	124	95.3 Å²	95.3	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-63.4	-44.1	176.3	179.8	164	-134	0	0	113.2	T9 V14 A15 R51	T9-E11 PolarHBondContact O-N 3.42Å; T9-E11 VanDerWaalsContact O-N 3.09Å; E11-V14 PolarHBondContact O-N 2.87Å; E11-A15 PolarHBondContact O-N 3.3Å; E11-R51 IonicContact OE1-NH2 3.76Å; E11-R51 PolarHBondContact OE1-NH2 2.79Å
12	R	77	Confident	68.1	Low	126 Å²	126	87.4 Å²	87.4	48%	0.475	48%	0.481	S	S	.	.	H	α-helix	trans	-68.7	-38.1	179.2	-174.2	179.6	179.4	-168.2	-0.4	111.6	T9 A15 R16	T9-R12 WeakPolarHBondContact O-CB 3.19Å; T9-R12 PolarHBondContact O-N 2.95Å; T9-R12 WeakPolarHBondContact OG1-CB 3.46Å; R12-A15 PolarHBondContact O-N 2.94Å; R12-R16 WeakPolarHBondContact O-CB 3.34Å; R12-R16 PolarHBondContact O-N 3.16Å
13	D	79.9	Confident	70.4	Confident	57 Å²	57	87.9 Å²	87.9	31%	0.305	47%	0.465	S	S	.	.	H	α-helix	trans	-67.2	-37.9	178.5	-68	-27.7	0	0	0	111.6	L8 T9 L10 R16 A17	L8-D13 WeakPolarHBondContact CD2-OD1 3.25Å; T9-D13 PolarHBondContact O-N 2.9Å; L10-D13 PolarHBondContact O-N 3.03Å; D13-R16 PolarHBondContact O-N 3.31Å; D13-A17 WeakPolarHBondContact O-CB 3.27Å; D13-A17 PolarHBondContact O-N 3.17Å
14	V	80.4	Confident	72.5	Confident	17 Å²	17	85.2 Å²	85.2	10%	0.103	45%	0.446	C	S	.	.	H	α-helix	trans	-66.6	-45.1	173.8	171.8	0	0	0	0	111.4	L10 E11 R16 A17 I18 L42	L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 3.13Å; L10-V14 VanDerWaalsContact O-N 3.09Å; E11-V14 PolarHBondContact O-N 2.87Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 3.48Å; V14-A17 PolarHBondContact O-N 3.4Å; V14-I18 HydrophobicContact CG1-CD1 4.07Å; V14-I18 WeakPolarHBondContact O-CG1 3.37Å; V14-I18 PolarHBondContact O-N 2.97Å; V14-L42 HydrophobicContact CG1-CB 4.43Å
15	A	82.7	Confident	74.4	Confident	59 Å²	59	83.3 Å²	83.3	49%	0.488	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-43.4	176.2	0	0	0	0	0	111.6	E11 R12 I18 E19	E11-A15 PolarHBondContact O-N 3.3Å; R12-A15 PolarHBondContact O-N 2.94Å; A15-I18 PolarHBondContact O-N 2.91Å; A15-E19 PolarHBondContact O-N 3.23Å; A15-E19 VanDerWaalsContact O-N 3.1Å
16	R	85.5	Confident	76	Confident	154 Å²	154	84.9 Å²	84.9	58%	0.581	43%	0.428	S	S	*	.	H	α-helix	trans	-64.8	-40.4	175.7	-172.3	178.6	-176.5	178.3	1.1	112.2	R12 D13 V14 I18 E19 L20	R12-R16 WeakPolarHBondContact O-CB 3.34Å; R12-R16 PolarHBondContact O-N 3.16Å; D13-R16 PolarHBondContact O-N 3.31Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 3.48Å; R16-I18 VanDerWaalsContact C-N 3.32Å; R16-I18 PolarHBondContact O-N 2.89Å; R16-E19 PolarHBondContact O-N 2.98Å; R16-L20 HydrophobicContact CG-CD1 4.24Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.4Å; R16-L20 PolarHBondContact O-N 2.67Å
17	A	84.5	Confident	77.6	Confident	35 Å²	35	82.9 Å²	82.9	29%	0.289	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-41.6	176.2	0	0	0	0	0	111.3	D13 V14 L20 L21 L42	D13-A17 WeakPolarHBondContact O-CB 3.27Å; D13-A17 PolarHBondContact O-N 3.17Å; V14-A17 PolarHBondContact O-N 3.4Å; A17-L20 PolarHBondContact O-N 2.84Å; A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.38Å; A17-L21 PolarHBondContact O-N 3.27Å; A17-L42 HydrophobicContact CB-CD1 4.05Å
18	I	85.4	Confident	78.8	Confident	25 Å²	25	80.5 Å²	80.5	13%	0.128	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-46.7	176	-67.7	164.5	0	0	0	111.1	V14 A15 R16 L20 L21 E22 K39 L42 Q43	V14-I18 HydrophobicContact CG1-CD1 4.07Å; V14-I18 WeakPolarHBondContact O-CG1 3.37Å; V14-I18 PolarHBondContact O-N 2.97Å; A15-I18 PolarHBondContact O-N 2.91Å; R16-I18 VanDerWaalsContact C-N 3.32Å; R16-I18 PolarHBondContact O-N 2.89Å; I18-L20 VanDerWaalsContact C-N 3.32Å; I18-L20 PolarHBondContact O-N 3.03Å; I18-L21 PolarHBondContact O-N 3.42Å; I18-E22 PolarHBondContact O-N 2.99Å; I18-E22 VanDerWaalsContact O-N 3.12Å; I18-K39 HydrophobicContact CG2-CD 4.44Å; I18-K39 HydrophobicContact CG2-CG 4.33Å; I18-L42 HydrophobicContact CD1-CB 4.42Å; I18-L42 HydrophobicContact CG1-CB 4.19Å; I18-L42 HydrophobicContact CG1-CD1 4.17Å; I18-Q43 HydrophobicContact CD1-CG 3.69Å; I18-Q43 HydrophobicContact CG1-CG 4.45Å
19	E	85.7	Confident	80.2	Confident	92 Å²	92	80.8 Å²	80.8	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-41	177.3	-168.9	-164.9	159.9	0	0	111.9	A15 R16 L21 E22 K23	A15-E19 PolarHBondContact O-N 3.23Å; A15-E19 VanDerWaalsContact O-N 3.1Å; R16-E19 PolarHBondContact O-N 2.98Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 2.97Å; E19-E22 PolarHBondContact O-N 3.5Å; E19-K23 PolarHBondContact O-N 3.16Å; E19-K23 VanDerWaalsContact O-N 3.12Å; E19-K23 WeakPolarHBondContact OE1-CE 3.28Å; E19-K23 IonicContact OE1-NZ 3.51Å; E19-K23 PolarHBondContact OE1-NZ 2.93Å
20	L	84.6	Confident	80.5	Confident	87 Å²	87	79.6 Å²	79.6	46%	0.455	42%	0.415	S	S	.	.	H	α-helix	trans	-65.7	-36.1	176.7	-71.7	171.8	0	0	0	112.2	R16 A17 I18 E22 K23 L24	R16-L20 HydrophobicContact CG-CD1 4.24Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.4Å; R16-L20 PolarHBondContact O-N 2.67Å; A17-L20 PolarHBondContact O-N 2.84Å; I18-L20 VanDerWaalsContact C-N 3.32Å; I18-L20 PolarHBondContact O-N 3.03Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-K23 PolarHBondContact O-N 2.81Å; L20-L24 WeakPolarHBondContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.94Å
21	L	84.3	Confident	81	Confident	18 Å²	18	79.4 Å²	79.4	9%	0.094	42%	0.418	C	S	.	.	H	α-helix	trans	-67.2	-34.3	175.9	-68.7	171	0	0	0	112.3	A17 I18 E19 Q25 L35 L38 K39 L42	A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.38Å; A17-L21 PolarHBondContact O-N 3.27Å; I18-L21 PolarHBondContact O-N 3.42Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 2.97Å; L21-Q25 WeakPolarHBondContact O-CB 3.49Å; L21-Q25 PolarHBondContact O-N 2.99Å; L21-L35 HydrophobicContact CD2-CD2 3.61Å; L21-L38 HydrophobicContact CD1-CB 4.3Å; L21-L38 HydrophobicContact CD1-CD2 4.02Å; L21-L38 HydrophobicContact CD1-CG 3.9Å; L21-L38 HydrophobicContact CD2-CD2 3.7Å; L21-L38 HydrophobicContact CD2-CG 4.43Å; L21-K39 HydrophobicContact CD1-CB 4.46Å; L21-L42 HydrophobicContact CD1-CD1 3.71Å
22	E	83.7	Confident	81.2	Confident	77 Å²	77	75 Å²	75	36%	0.36	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-46.9	174.2	-69.3	173.5	164.3	0	0	111.2	I18 E19 L20 L24 Q25 E26 K39	I18-E22 PolarHBondContact O-N 2.99Å; I18-E22 VanDerWaalsContact O-N 3.12Å; E19-E22 PolarHBondContact O-N 3.5Å; L20-E22 VanDerWaalsContact C-N 3.33Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.27Å; E22-Q25 WeakPolarHBondContact O-CB 3.27Å; E22-Q25 PolarHBondContact O-N 3.39Å; E22-E26 WeakPolarHBondContact O-CG 3.35Å; E22-E26 PolarHBondContact O-N 3.12Å; E22-K39 IonicContact OE1-NZ 3.39Å; E22-K39 PolarHBondContact OE1-NZ 3.04Å
23	K	83.9	Confident	81.4	Confident	106 Å²	106	75 Å²	75	46%	0.461	41%	0.411	S	S	.	.	H	α-helix	trans	-61.2	-39	175.7	-69	177.1	-174.9	170.2	0	112.5	E19 L20 Q25 E26 S27	E19-K23 PolarHBondContact O-N 3.16Å; E19-K23 VanDerWaalsContact O-N 3.12Å; E19-K23 WeakPolarHBondContact OE1-CE 3.28Å; E19-K23 IonicContact OE1-NZ 3.51Å; E19-K23 PolarHBondContact OE1-NZ 2.93Å; L20-K23 PolarHBondContact O-N 2.81Å; K23-Q25 VanDerWaalsContact C-N 3.32Å; K23-E26 PolarHBondContact O-N 3.17Å; K23-S27 PolarHBondContact O-N 2.62Å; K23-S27 VanDerWaalsContact O-N 3.08Å
24	L	81.7	Confident	81.1	Confident	71 Å²	71	78.3 Å²	78.3	37%	0.372	42%	0.422	S	S	.	.	H	α-helix	trans	-66	-34.8	174.4	-77.6	170	0	0	0	112.1	L20 E22 E26 S27 G28 L35	L20-L24 WeakPolarHBondContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.94Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.27Å; L24-E26 VanDerWaalsContact C-N 3.32Å; L24-S27 WeakPolarHBondContact CA-OG 3.45Å; L24-S27 PolarHBondContact O-N 3.38Å; L24-S27 PolarHBondContact O-OG 3Å; L24-G28 PolarHBondContact O-N 3.32Å; L24-L35 HydrophobicContact CB-CD1 4.07Å; L24-L35 HydrophobicContact CB-CD2 4.29Å
25	Q	78.4	Confident	81.1	Confident	82 Å²	82	78 Å²	78	38%	0.383	42%	0.42	S	S	.	.	H	α-helix	trans	-66.8	-36.5	176.1	-172.1	177	-23.6	0	0	111.7	L21 E22 K23 L35	L21-Q25 WeakPolarHBondContact O-CB 3.49Å; L21-Q25 PolarHBondContact O-N 2.99Å; E22-Q25 WeakPolarHBondContact O-CB 3.27Å; E22-Q25 PolarHBondContact O-N 3.39Å; K23-Q25 VanDerWaalsContact C-N 3.32Å; Q25-L35 VanDerWaalsContact CA-CD1 3.43Å; Q25-L35 HydrophobicContact CB-CD1 3.7Å; Q25-L35 HydrophobicContact CG-CD1 4.35Å
26	E	79.4	Confident	80.9	Confident	165 Å²	165	78.4 Å²	78.4	77%	0.771	41%	0.412	S	S	*	.	H	α-helix	trans	-70.3	-32.8	175.7	-68.3	172.8	177.9	0	0	112.6	E22 K23 L24 G28	E22-E26 WeakPolarHBondContact O-CG 3.35Å; E22-E26 PolarHBondContact O-N 3.12Å; K23-E26 PolarHBondContact O-N 3.17Å; L24-E26 VanDerWaalsContact C-N 3.32Å; E26-G28 VanDerWaalsContact C-N 3.3Å; E26-G28 PolarHBondContact O-N 3.1Å
27	S	81.3	Confident	80.7	Confident	59 Å²	59	74.5 Å²	74.5	41%	0.413	41%	0.408	S	S	.	.	H	α-helix	trans	-69.1	-23.5	178.3	71.1	0	0	0	0	114.3	K23 L24 D29	K23-S27 PolarHBondContact O-N 2.62Å; K23-S27 VanDerWaalsContact O-N 3.08Å; L24-S27 WeakPolarHBondContact CA-OG 3.45Å; L24-S27 PolarHBondContact O-N 3.38Å; L24-S27 PolarHBondContact O-OG 3Å; S27-D29 PolarHBondContact O-N 3.25Å
28	G	75.6	Confident	80.6	Confident	60 Å²	60	76.9 Å²	76.9	62%	0.619	42%	0.416	S	S	*	.			trans	77.7	-3.5	-179.4	0	0	0	0	0	115.7	L24 E26 V30	L24-G28 PolarHBondContact O-N 3.32Å; E26-G28 VanDerWaalsContact C-N 3.3Å; E26-G28 PolarHBondContact O-N 3.1Å; G28-V30 PolarHBondContact O-N 3.44Å
29	D	77.4	Confident	80.5	Confident	138 Å²	138	77.3 Å²	77.3	74%	0.738	42%	0.416	S	S	*	.	S	Bend	trans	-69.7	-14.9	-176.1	-73	-32	0	0	0	114.2	S27	S27-D29 PolarHBondContact O-N 3.25Å
30	V	75.8	Confident	80.4	Confident	51 Å²	51	79.9 Å²	79.9	31%	0.309	43%	0.426	S	S	.	.	S	Bend	trans	-131.3	138.2	-177.9	-175.5	0	0	0	0	110.1	G28 G32 L35	G28-V30 PolarHBondContact O-N 3.44Å; V30-G32 PolarHBondContact O-N 2.89Å; V30-G32 VanDerWaalsContact O-N 3.08Å; V30-L35 HydrophobicContact CB-CD1 3.97Å; V30-L35 HydrophobicContact CB-CD2 4.15Å; V30-L35 HydrophobicContact CB-CG 4.03Å; V30-L35 HydrophobicContact CG1-CD1 4.29Å; V30-L35 HydrophobicContact CG1-CD2 3.85Å; V30-L35 HydrophobicContact CG1-CG 3.79Å
31	P	80.1	Confident	80.3	Confident	65 Å²	65	79.7 Å²	79.7	42%	0.422	43%	0.428	S	S	.	.			trans	-55.4	118.7	176.5	-25.1	33.4	0	0	0	111.9	H33 K34 L35	P31-H33 WeakPolarHBondContact CB-CE1 3.33Å; P31-H33 PolarHBondContact O-N 3.49Å; P31-K34 HydrophobicContact CB-CD 4.46Å; P31-K34 HydrophobicContact CB-CG 4.34Å; P31-K34 HydrophobicContact CG-CD 4.42Å; P31-K34 WeakPolarHBondContact O-CB 3.34Å; P31-K34 PolarHBondContact O-N 3.46Å; P31-L35 PolarHBondContact O-N 2.96Å
32	G	78.3	Confident	80.3	Confident	31 Å²	31	80.6 Å²	80.6	32%	0.32	43%	0.433	S	S	.	.	H	α-helix	trans	-55.5	-31.1	-172.5	0	0	0	0	0	114.4	V30 K34 L35 Q36	V30-G32 PolarHBondContact O-N 2.89Å; V30-G32 VanDerWaalsContact O-N 3.08Å; G32-K34 VanDerWaalsContact C-N 3.32Å; G32-K34 PolarHBondContact O-N 3.33Å; G32-L35 PolarHBondContact O-N 2.81Å; G32-Q36 WeakPolarHBondContact O-CB 3.35Å; G32-Q36 WeakPolarHBondContact O-CG 3.29Å; G32-Q36 PolarHBondContact O-N 2.77Å
33	H	80.3	Confident	80.3	Confident	127 Å²	127	82 Å²	82	59%	0.588	44%	0.44	S	S	*	.	H	α-helix	trans	-63.1	-35.1	175.8	67.1	-90.4	0	0	0	112.9	P31 S37	P31-H33 WeakPolarHBondContact CB-CE1 3.33Å; P31-H33 PolarHBondContact O-N 3.49Å; H33-S37 WeakPolarHBondContact O-CB 3.41Å; H33-S37 PolarHBondContact O-N 3.4Å; H33-S37 PolarHBondContact O-OG 3.38Å; H33-S37 VanDerWaalsContact O-OG 3.11Å
34	K	74.5	Confident	80.2	Confident	126 Å²	126	78.6 Å²	78.6	55%	0.548	43%	0.429	S	S	.	.	H	α-helix	trans	-70.8	-42.1	177.6	-63.2	-173.3	178.6	-179.9	0	111.3	P31 G32 S37 L38	P31-K34 HydrophobicContact CB-CD 4.46Å; P31-K34 HydrophobicContact CB-CG 4.34Å; P31-K34 HydrophobicContact CG-CD 4.42Å; P31-K34 WeakPolarHBondContact O-CB 3.34Å; P31-K34 PolarHBondContact O-N 3.46Å; G32-K34 VanDerWaalsContact C-N 3.32Å; G32-K34 PolarHBondContact O-N 3.33Å; K34-S37 PolarHBondContact O-N 3.38Å; K34-L38 PolarHBondContact O-N 2.94Å
35	L	80.9	Confident	80	Confident	10 Å²	10	82.8 Å²	82.8	5%	0.052	45%	0.447	C	S	.	.	H	α-helix	trans	-63.8	-42.3	176	-65.3	176.6	0	0	0	111.3	L21 L24 Q25 V30 P31 G32 L38 K39	L21-L35 HydrophobicContact CD2-CD2 3.61Å; L24-L35 HydrophobicContact CB-CD1 4.07Å; L24-L35 HydrophobicContact CB-CD2 4.29Å; Q25-L35 VanDerWaalsContact CA-CD1 3.43Å; Q25-L35 HydrophobicContact CB-CD1 3.7Å; Q25-L35 HydrophobicContact CG-CD1 4.35Å; V30-L35 HydrophobicContact CB-CD1 3.97Å; V30-L35 HydrophobicContact CB-CD2 4.15Å; V30-L35 HydrophobicContact CB-CG 4.03Å; V30-L35 HydrophobicContact CG1-CD1 4.29Å; V30-L35 HydrophobicContact CG1-CD2 3.85Å; V30-L35 HydrophobicContact CG1-CG 3.79Å; P31-L35 PolarHBondContact O-N 2.96Å; G32-L35 PolarHBondContact O-N 2.81Å; L35-L38 PolarHBondContact O-N 3.41Å; L35-K39 WeakPolarHBondContact O-CB 3.27Å; L35-K39 PolarHBondContact O-N 2.89Å
36	Q	78.8	Confident	80	Confident	67 Å²	67	84 Å²	84	31%	0.313	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-41.5	176.3	-74.2	-68.6	-23.1	0	0	112.4	G32 L38 K39 K40	G32-Q36 WeakPolarHBondContact O-CB 3.35Å; G32-Q36 WeakPolarHBondContact O-CG 3.29Å; G32-Q36 PolarHBondContact O-N 2.77Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; Q36-K39 PolarHBondContact O-N 3.32Å; Q36-K40 WeakPolarHBondContact O-CB 3.34Å; Q36-K40 WeakPolarHBondContact O-CG 3.31Å; Q36-K40 PolarHBondContact O-N 3.32Å
37	S	80.6	Confident	79.9	Confident	72 Å²	72	77.1 Å²	77.1	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-44.6	172.6	-70.5	0	0	0	0	111.8	H33 K34 K40 V41	H33-S37 WeakPolarHBondContact O-CB 3.41Å; H33-S37 PolarHBondContact O-N 3.4Å; H33-S37 PolarHBondContact O-OG 3.38Å; H33-S37 VanDerWaalsContact O-OG 3.11Å; K34-S37 PolarHBondContact O-N 3.38Å; S37-K40 PolarHBondContact O-N 2.87Å; S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 2.92Å; S37-V41 VanDerWaalsContact O-N 3.08Å
38	L	81.3	Confident	79.7	Confident	86 Å²	86	76.5 Å²	76.5	45%	0.45	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-41.4	179.2	-175	57.9	0	0	0	112.1	L21 K34 L35 Q36 K40 V41 L42	L21-L38 HydrophobicContact CD1-CB 4.3Å; L21-L38 HydrophobicContact CD1-CD2 4.02Å; L21-L38 HydrophobicContact CD1-CG 3.9Å; L21-L38 HydrophobicContact CD2-CD2 3.7Å; L21-L38 HydrophobicContact CD2-CG 4.43Å; K34-L38 PolarHBondContact O-N 2.94Å; L35-L38 PolarHBondContact O-N 3.41Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.39Å; L38-V41 PolarHBondContact O-N 3.38Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 3.02Å
39	K	83.6	Confident	79.5	Confident	33 Å²	33	75.4 Å²	75.4	14%	0.143	40%	0.4	C	S	.	.	H	α-helix	trans	-59.4	-46.1	174.2	-174.3	178.3	-177.9	175.4	0	111.5	I18 L21 E22 L35 Q36 V41 L42 Q43	I18-K39 HydrophobicContact CG2-CD 4.44Å; I18-K39 HydrophobicContact CG2-CG 4.33Å; L21-K39 HydrophobicContact CD1-CB 4.46Å; E22-K39 IonicContact OE1-NZ 3.39Å; E22-K39 PolarHBondContact OE1-NZ 3.04Å; L35-K39 WeakPolarHBondContact O-CB 3.27Å; L35-K39 PolarHBondContact O-N 2.89Å; Q36-K39 PolarHBondContact O-N 3.32Å; K39-V41 VanDerWaalsContact C-N 3.28Å; K39-V41 PolarHBondContact O-N 3.28Å; K39-L42 PolarHBondContact O-N 3.43Å; K39-Q43 WeakPolarHBondContact O-CB 3.25Å; K39-Q43 WeakPolarHBondContact O-CG 3.37Å; K39-Q43 PolarHBondContact O-N 2.84Å
40	K	83.8	Confident	79.6	Confident	147 Å²	147	71.2 Å²	71.2	64%	0.639	38%	0.377	S	S	*	.	H	α-helix	trans	-58.6	-38.6	175.3	-77.3	179.8	178.6	-176.2	0	112.6	Q36 S37 L38 Q43 S44	Q36-K40 WeakPolarHBondContact O-CB 3.34Å; Q36-K40 WeakPolarHBondContact O-CG 3.31Å; Q36-K40 PolarHBondContact O-N 3.32Å; S37-K40 PolarHBondContact O-N 2.87Å; L38-K40 PolarHBondContact O-N 3.39Å; K40-Q43 PolarHBondContact O-N 2.9Å; K40-S44 WeakPolarHBondContact O-CB 3.33Å; K40-S44 PolarHBondContact O-N 2.81Å; K40-S44 VanDerWaalsContact O-N 3.07Å
41	V	82.6	Confident	79.7	Confident	82 Å²	82	71.5 Å²	71.5	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-65.6	-49.1	176.1	171.8	0	0	0	0	110.8	S37 L38 K39 Q43 S44 C47	S37-V41 WeakPolarHBondContact O-CG2 3.41Å; S37-V41 PolarHBondContact O-N 2.92Å; S37-V41 VanDerWaalsContact O-N 3.08Å; L38-V41 PolarHBondContact O-N 3.38Å; K39-V41 VanDerWaalsContact C-N 3.28Å; K39-V41 PolarHBondContact O-N 3.28Å; V41-Q43 PolarHBondContact O-N 2.84Å; V41-S44 WeakPolarHBondContact O-CB 3.39Å; V41-S44 PolarHBondContact O-N 3.05Å; V41-S44 VanDerWaalsContact O-N 3.08Å; V41-S44 PolarHBondContact O-OG 3.14Å; V41-C47 WeakPolarHBondContact O-CB 3.36Å
42	L	84.4	Confident	79.6	Confident	37 Å²	37	74.6 Å²	74.6	19%	0.194	38%	0.381	C	S	.	.	H	α-helix	trans	-62.4	-26.6	179.3	-69.1	175.7	0	0	0	113.5	V14 A17 I18 L21 L38 K39	V14-L42 HydrophobicContact CG1-CB 4.43Å; A17-L42 HydrophobicContact CB-CD1 4.05Å; I18-L42 HydrophobicContact CD1-CB 4.42Å; I18-L42 HydrophobicContact CG1-CB 4.19Å; I18-L42 HydrophobicContact CG1-CD1 4.17Å; L21-L42 HydrophobicContact CD1-CD1 3.71Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 3.02Å; K39-L42 PolarHBondContact O-N 3.43Å
43	Q	82.8	Confident	79.4	Confident	108 Å²	108	75.4 Å²	75.4	51%	0.505	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	3.3	178.3	-64.9	-178.8	-43.4	0	0	113.6	I18 K39 K40 V41	I18-Q43 HydrophobicContact CD1-CG 3.69Å; I18-Q43 HydrophobicContact CG1-CG 4.45Å; K39-Q43 WeakPolarHBondContact O-CB 3.25Å; K39-Q43 WeakPolarHBondContact O-CG 3.37Å; K39-Q43 PolarHBondContact O-N 2.84Å; K40-Q43 PolarHBondContact O-N 2.9Å; V41-Q43 PolarHBondContact O-N 2.84Å
44	S	83.1	Confident	79.4	Confident	34 Å²	34	71.5 Å²	71.5	24%	0.238	36%	0.36	C	S	.	.	S	Bend	trans	-77.2	149.9	-176.6	67	0	0	0	0	112.3	K40 V41 F46 C47 T48	K40-S44 WeakPolarHBondContact O-CB 3.33Å; K40-S44 PolarHBondContact O-N 2.81Å; K40-S44 VanDerWaalsContact O-N 3.07Å; V41-S44 WeakPolarHBondContact O-CB 3.39Å; V41-S44 PolarHBondContact O-N 3.05Å; V41-S44 VanDerWaalsContact O-N 3.08Å; V41-S44 PolarHBondContact O-OG 3.14Å; S44-F46 PolarHBondContact O-N 3.35Å; S44-F46 VanDerWaalsContact O-N 3.14Å; S44-C47 PolarHBondContact O-N 2.95Å; S44-C47 PolarHBondContact OG-N 3.45Å; S44-C47 VanDerWaalsContact OG-N 3.15Å; S44-T48 PolarHBondContact O-N 2.78Å; S44-T48 PolarHBondContact O-OG1 2.84Å
45	E	77.3	Confident	79.6	Confident	159 Å²	159	70.4 Å²	70.4	74%	0.743	36%	0.357	S	S	*	.	H	α-helix	trans	-52.3	-33.3	169.5	-64.6	-60.1	126.2	0	0	112.1	T48 A49	E45-T48 PolarHBondContact O-N 3.41Å; E45-A49 WeakPolarHBondContact O-CB 3.42Å; E45-A49 PolarHBondContact O-N 2.82Å
46	F	77.7	Confident	79.3	Confident	106 Å²	106	77.2 Å²	77.2	47%	0.465	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-45.6	174.9	178.2	-106.6	0	0	0	112.4	S44 T48 A49 I50 F82	S44-F46 PolarHBondContact O-N 3.35Å; S44-F46 VanDerWaalsContact O-N 3.14Å; F46-T48 VanDerWaalsContact C-N 3.34Å; F46-A49 PolarHBondContact O-N 3.15Å; F46-I50 HydrophobicContact CD1-CD1 3.81Å; F46-I50 HydrophobicContact CE1-CD1 3.31Å; F46-I50 HydrophobicContact CE1-CG1 4.48Å; F46-I50 HydrophobicContact CE2-CD1 4.1Å; F46-I50 HydrophobicContact CG-CD1 4.4Å; F46-I50 HydrophobicContact CZ-CD1 3.49Å; F46-I50 VanDerWaalsContact CZ-CD1 3.49Å; F46-I50 HydrophobicContact CZ-CG1 4.41Å; F46-I50 WeakPolarHBondContact O-CG1 3.3Å; F46-I50 PolarHBondContact O-N 2.7Å; F46-F82 HydrophobicContact CE2-CD1 4.26Å
47	C	77.6	Confident	79.2	Confident	21 Å²	21	75.6 Å²	75.6	14%	0.142	38%	0.376	C	S	.	.	H	α-helix	trans	-66.8	-38.3	176.5	-171.7	0	0	0	0	111.4	V41 S44 I50 R51	V41-C47 WeakPolarHBondContact O-CB 3.36Å; S44-C47 PolarHBondContact O-N 2.95Å; S44-C47 PolarHBondContact OG-N 3.45Å; S44-C47 VanDerWaalsContact OG-N 3.15Å; C47-I50 PolarHBondContact O-N 2.93Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.4Å; C47-R51 PolarHBondContact O-N 3.46Å
48	T	77.1	Confident	79	Confident	47 Å²	47	75 Å²	75	29%	0.288	37%	0.365	S	S	.	.	H	α-helix	trans	-58.6	-49.1	172.9	-56.1	0	0	0	0	111.3	S44 E45 F46 I50 R51 E52	S44-T48 PolarHBondContact O-N 2.78Å; S44-T48 PolarHBondContact O-OG1 2.84Å; E45-T48 PolarHBondContact O-N 3.41Å; F46-T48 VanDerWaalsContact C-N 3.34Å; T48-I50 VanDerWaalsContact C-N 3.35Å; T48-I50 PolarHBondContact O-N 2.9Å; T48-R51 WeakPolarHBondContact O-CB 3.33Å; T48-R51 PolarHBondContact O-N 2.86Å; T48-R51 VanDerWaalsContact O-N 3.15Å; T48-E52 PolarHBondContact O-N 3.36Å
49	A	72.1	Confident	78.8	Confident	36 Å²	36	77 Å²	77	30%	0.298	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-41.4	177.3	0	0	0	0	0	112.4	E45 F46 R51 E52 V53 F82	E45-A49 WeakPolarHBondContact O-CB 3.42Å; E45-A49 PolarHBondContact O-N 2.82Å; F46-A49 PolarHBondContact O-N 3.15Å; A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3.12Å; A49-E52 PolarHBondContact O-N 3.39Å; A49-V53 WeakPolarHBondContact O-CG2 3.36Å; A49-V53 PolarHBondContact O-N 3.42Å; A49-F82 HydrophobicContact CB-CZ 4.35Å
50	I	79.7	Confident	78.3	Confident	51 Å²	51	79.1 Å²	79.1	26%	0.262	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-42.7	175.3	-71.2	170.7	0	0	0	111.4	F46 C47 T48 V53 Y54 T78 F82	F46-I50 HydrophobicContact CD1-CD1 3.81Å; F46-I50 HydrophobicContact CE1-CD1 3.31Å; F46-I50 HydrophobicContact CE1-CG1 4.48Å; F46-I50 HydrophobicContact CE2-CD1 4.1Å; F46-I50 HydrophobicContact CG-CD1 4.4Å; F46-I50 HydrophobicContact CZ-CD1 3.49Å; F46-I50 VanDerWaalsContact CZ-CD1 3.49Å; F46-I50 HydrophobicContact CZ-CG1 4.41Å; F46-I50 WeakPolarHBondContact O-CG1 3.3Å; F46-I50 PolarHBondContact O-N 2.7Å; C47-I50 PolarHBondContact O-N 2.93Å; T48-I50 VanDerWaalsContact C-N 3.35Å; T48-I50 PolarHBondContact O-N 2.9Å; I50-V53 PolarHBondContact O-N 3.21Å; I50-Y54 WeakPolarHBondContact O-CB 3.43Å; I50-Y54 PolarHBondContact O-N 3.27Å; I50-T78 HydrophobicContact CG2-CG2 4.09Å; I50-F82 VanDerWaalsContact CA-CZ 3.49Å; I50-F82 HydrophobicContact CB-CE2 4.09Å; I50-F82 HydrophobicContact CB-CZ 4.16Å; I50-F82 HydrophobicContact CG1-CD1 3.92Å; I50-F82 HydrophobicContact CG1-CD2 3.87Å; I50-F82 HydrophobicContact CG1-CE1 3.7Å; I50-F82 HydrophobicContact CG1-CE2 3.64Å; I50-F82 HydrophobicContact CG1-CG 4.01Å; I50-F82 HydrophobicContact CG1-CZ 3.57Å
51	R	77.6	Confident	77.8	Confident	56 Å²	56	75.1 Å²	75.1	21%	0.211	37%	0.373	C	S	.	.	H	α-helix	trans	-61.3	-45.2	178.1	-73.2	167.7	39.3	162.7	-4.5	111.9	L10 E11 C47 T48 A49 V53 Y54 Q55	L10-R51 HydrophobicContact CD2-CB 3.94Å; L10-R51 HydrophobicContact CD2-CG 3.73Å; L10-R51 HydrophobicContact CG-CG 4.14Å; E11-R51 IonicContact OE1-NH2 3.76Å; E11-R51 PolarHBondContact OE1-NH2 2.79Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.4Å; C47-R51 PolarHBondContact O-N 3.46Å; T48-R51 WeakPolarHBondContact O-CB 3.33Å; T48-R51 PolarHBondContact O-N 2.86Å; T48-R51 VanDerWaalsContact O-N 3.15Å; A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3.12Å; R51-V53 PolarHBondContact O-N 2.73Å; R51-Y54 PolarHBondContact O-N 2.87Å; R51-Q55 WeakPolarHBondContact O-CB 3.32Å; R51-Q55 PolarHBondContact O-N 3.29Å
52	E	76.9	Confident	77.3	Confident	130 Å²	130	77.4 Å²	77.4	61%	0.607	39%	0.387	S	S	*	.	H	α-helix	trans	-60.7	-45.4	-179.3	-71.6	178.4	174.3	0	0	111.5	T48 A49 Q55 Y56	T48-E52 PolarHBondContact O-N 3.36Å; A49-E52 PolarHBondContact O-N 3.39Å; E52-Q55 PolarHBondContact O-N 2.98Å; E52-Y56 WeakPolarHBondContact O-CB 3.45Å; E52-Y56 PolarHBondContact O-N 3.15Å
53	V	75.9	Confident	76.9	Confident	49 Å²	49	77.9 Å²	77.9	30%	0.297	39%	0.392	S	S	.	.	H	α-helix	trans	-65.6	-43.6	176.4	176.8	0	0	0	0	111.1	A49 I50 R51 Q55 Y56 M57 T78 F82	A49-V53 WeakPolarHBondContact O-CG2 3.36Å; A49-V53 PolarHBondContact O-N 3.42Å; I50-V53 PolarHBondContact O-N 3.21Å; R51-V53 PolarHBondContact O-N 2.73Å; V53-Q55 VanDerWaalsContact C-N 3.31Å; V53-Q55 PolarHBondContact O-N 3.44Å; V53-Y56 PolarHBondContact O-N 2.92Å; V53-M57 HydrophobicContact CG1-CG 4.2Å; V53-M57 HydrophobicContact CG1-SD 3.94Å; V53-M57 WeakPolarHBondContact O-CB 3.5Å; V53-M57 VanDerWaalsContact O-CG 3.25Å; V53-M57 WeakPolarHBondContact O-CG 3.4Å; V53-M57 PolarHBondContact O-N 3.48Å; V53-T78 HydrophobicContact CB-CG2 4.17Å; V53-T78 HydrophobicContact CG1-CG2 3.94Å; V53-F82 HydrophobicContact CB-CE2 3.68Å; V53-F82 HydrophobicContact CB-CZ 4.26Å; V53-F82 HydrophobicContact CG1-CE2 3.99Å; V53-F82 HydrophobicContact CG2-CE2 3.63Å; V53-F82 HydrophobicContact CG2-CZ 3.74Å
54	Y	79.8	Confident	76.6	Confident	44 Å²	44	80.8 Å²	80.8	17%	0.173	41%	0.411	C	S	.	.	H	α-helix	trans	-57	-47.5	176.2	176.8	-86.9	0	0	0	111.2	L10 I50 R51 M57 H58 A71 T74 A75 T78	L10-Y54 HydrophobicContact CD2-CD1 3.61Å; L10-Y54 HydrophobicContact CD2-CE1 4.27Å; L10-Y54 HydrophobicContact CD2-CG 4.08Å; I50-Y54 WeakPolarHBondContact O-CB 3.43Å; I50-Y54 PolarHBondContact O-N 3.27Å; R51-Y54 PolarHBondContact O-N 2.87Å; Y54-M57 PolarHBondContact O-N 3.09Å; Y54-H58 HydrophobicContact CE1-CB 4.35Å; Y54-H58 VanDerWaalsContact O-CB 3.27Å; Y54-H58 WeakPolarHBondContact O-CB 3.45Å; Y54-H58 PolarHBondContact O-N 3.49Å; Y54-A71 WeakPolarHBondContact OH-CA 3.29Å; Y54-A71 WeakPolarHBondContact OH-CB 3.33Å; Y54-A71 PolarHBondContact OH-O 2.82Å; Y54-T74 HydrophobicContact CD2-CG2 3.78Å; Y54-T74 HydrophobicContact CE2-CG2 3.79Å; Y54-T74 HydrophobicContact CG-CG2 4.25Å; Y54-T74 VanDerWaalsContact O-CG2 3.31Å; Y54-T74 WeakPolarHBondContact O-CG2 3.34Å; Y54-A75 HydrophobicContact CD2-CB 4.35Å; Y54-A75 HydrophobicContact CE2-CB 3.82Å; Y54-T78 WeakPolarHBondContact CA-OG1 3.49Å
55	Q	77.8	Confident	76.2	Confident	103 Å²	103	81.9 Å²	81.9	48%	0.481	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-46.9	-178.9	-176.5	169.9	-7.1	0	0	111.2	R51 E52 V53 M57 H58 E59	R51-Q55 WeakPolarHBondContact O-CB 3.32Å; R51-Q55 PolarHBondContact O-N 3.29Å; E52-Q55 PolarHBondContact O-N 2.98Å; V53-Q55 VanDerWaalsContact C-N 3.31Å; V53-Q55 PolarHBondContact O-N 3.44Å; Q55-M57 VanDerWaalsContact C-N 3.35Å; Q55-M57 PolarHBondContact O-N 3.46Å; Q55-H58 WeakPolarHBondContact O-CB 3.5Å; Q55-H58 PolarHBondContact O-N 2.86Å; Q55-H58 VanDerWaalsContact O-N 3.16Å; Q55-E59 VanDerWaalsContact CG-OE1 3.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.46Å; Q55-E59 PolarHBondContact NE2-OE1 3.41Å; Q55-E59 WeakPolarHBondContact O-CG 3.48Å; Q55-E59 PolarHBondContact O-N 3.05Å
56	Y	75.9	Confident	76.2	Confident	154 Å²	154	77.1 Å²	77.1	60%	0.604	41%	0.411	S	S	*	.	H	α-helix	trans	-57.3	-46.6	175.3	179.7	-100.3	0	0	0	112.1	E52 V53 H58 E59 T60	E52-Y56 WeakPolarHBondContact O-CB 3.45Å; E52-Y56 PolarHBondContact O-N 3.15Å; V53-Y56 PolarHBondContact O-N 2.92Å; Y56-H58 PolarHBondContact O-N 3.47Å; Y56-E59 PolarHBondContact O-N 2.92Å; Y56-T60 HydrophobicContact CD2-CG2 4.32Å; Y56-T60 HydrophobicContact CE1-CG2 4.24Å; Y56-T60 HydrophobicContact CE2-CG2 3.96Å; Y56-T60 WeakPolarHBondContact O-CB 3.23Å; Y56-T60 WeakPolarHBondContact O-CG2 3.31Å; Y56-T60 PolarHBondContact O-N 3.28Å; Y56-T60 PolarHBondContact O-OG1 3.48Å
57	M	75.6	Confident	76.1	Confident	33 Å²	33	77 Å²	77	16%	0.163	42%	0.421	C	S	.	.	H	α-helix	trans	-67.1	-35.4	177.5	-69.2	-172	77.4	0	0	112.3	V53 Y54 Q55 E59 T60 I61 T74 A77	V53-M57 HydrophobicContact CG1-CG 4.2Å; V53-M57 HydrophobicContact CG1-SD 3.94Å; V53-M57 WeakPolarHBondContact O-CB 3.5Å; V53-M57 VanDerWaalsContact O-CG 3.25Å; V53-M57 WeakPolarHBondContact O-CG 3.4Å; V53-M57 PolarHBondContact O-N 3.48Å; Y54-M57 PolarHBondContact O-N 3.09Å; Q55-M57 VanDerWaalsContact C-N 3.35Å; Q55-M57 PolarHBondContact O-N 3.46Å; M57-E59 VanDerWaalsContact C-N 3.34Å; M57-T60 WeakPolarHBondContact CA-OG1 3.21Å; M57-I61 HydrophobicContact CB-CD1 4.11Å; M57-I61 HydrophobicContact CE-CD1 3.54Å; M57-I61 VanDerWaalsContact O-CB 3.24Å; M57-I61 WeakPolarHBondContact O-CB 3.23Å; M57-I61 VanDerWaalsContact O-CG1 3.28Å; M57-I61 WeakPolarHBondContact O-CG1 3.37Å; M57-I61 PolarHBondContact O-N 3.17Å; M57-T74 HydrophobicContact CB-CG2 3.67Å; M57-A77 HydrophobicContact CE-CB 3.34Å; M57-A77 HydrophobicContact SD-CB 4.36Å
58	H	76.8	Confident	76.1	Confident	58 Å²	58	83.4 Å²	83.4	27%	0.269	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-39.8	177.6	-167.9	-83.1	0	0	0	111.7	Y54 Q55 Y56 Q70 T74	Y54-H58 HydrophobicContact CE1-CB 4.35Å; Y54-H58 VanDerWaalsContact O-CB 3.27Å; Y54-H58 WeakPolarHBondContact O-CB 3.45Å; Y54-H58 PolarHBondContact O-N 3.49Å; Q55-H58 WeakPolarHBondContact O-CB 3.5Å; Q55-H58 PolarHBondContact O-N 2.86Å; Q55-H58 VanDerWaalsContact O-N 3.16Å; Y56-H58 PolarHBondContact O-N 3.47Å; H58-Q70 PolarHBondContact O-NE2 3.43Å; H58-Q70 VanDerWaalsContact O-NE2 3.16Å; H58-T74 HydrophobicContact CB-CG2 3.87Å
59	E	77.1	Confident	76	Confident	130 Å²	130	87.3 Å²	87.3	61%	0.607	46%	0.459	S	S	*	.	H	α-helix	trans	-74.8	-32.7	179.6	-70.6	172.1	-171.3	0	0	112.3	Q55 Y56 M57	Q55-E59 VanDerWaalsContact CG-OE1 3.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.46Å; Q55-E59 PolarHBondContact NE2-OE1 3.41Å; Q55-E59 WeakPolarHBondContact O-CG 3.48Å; Q55-E59 PolarHBondContact O-N 3.05Å; Y56-E59 PolarHBondContact O-N 2.92Å; M57-E59 VanDerWaalsContact C-N 3.34Å
60	T	73.9	Confident	76.3	Confident	76 Å²	76	87.7 Å²	87.7	47%	0.466	46%	0.455	S	S	.	.	H	α-helix	trans	-92.8	-28.7	-175	52.7	0	0	0	0	114.4	Y56 M57	Y56-T60 HydrophobicContact CD2-CG2 4.32Å; Y56-T60 HydrophobicContact CE1-CG2 4.24Å; Y56-T60 HydrophobicContact CE2-CG2 3.96Å; Y56-T60 WeakPolarHBondContact O-CB 3.23Å; Y56-T60 WeakPolarHBondContact O-CG2 3.31Å; Y56-T60 PolarHBondContact O-N 3.28Å; Y56-T60 PolarHBondContact O-OG1 3.48Å; M57-T60 WeakPolarHBondContact CA-OG1 3.21Å
61	I	73.1	Confident	76.2	Confident	64 Å²	64	86.6 Å²	86.6	33%	0.328	45%	0.454	S	S	.	.			trans	-92.8	110	-179.3	-57.9	173.7	0	0	0	109.8	M57 V63 Q70	M57-I61 HydrophobicContact CB-CD1 4.11Å; M57-I61 HydrophobicContact CE-CD1 3.54Å; M57-I61 VanDerWaalsContact O-CB 3.24Å; M57-I61 WeakPolarHBondContact O-CB 3.23Å; M57-I61 VanDerWaalsContact O-CG1 3.28Å; M57-I61 WeakPolarHBondContact O-CG1 3.37Å; M57-I61 PolarHBondContact O-N 3.17Å; I61-V63 HydrophobicContact CG2-CG2 3.74Å; I61-V63 PolarHBondContact O-N 3.33Å; I61-Q70 PolarHBondContact O-NE2 2.77Å
62	T	72.3	Confident	76.3	Confident	129 Å²	129	90.8 Å²	90.8	79%	0.791	47%	0.469	S	S	*	.			trans	-83.2	107.3	169.9	47.5	0	0	0	0	109.9
63	V	74.9	Confident	76.2	Confident	47 Å²	47	86.6 Å²	86.6	29%	0.285	46%	0.457	S	S	.	.			trans	-101.1	119.8	173.9	-176.2	0	0	0	0	108.5	I61 G65 Q70 A73	I61-V63 HydrophobicContact CG2-CG2 3.74Å; I61-V63 PolarHBondContact O-N 3.33Å; V63-G65 PolarHBondContact O-N 3.06Å; V63-G65 VanDerWaalsContact O-N 3.17Å; V63-Q70 HydrophobicContact CB-CB 4.08Å; V63-Q70 HydrophobicContact CB-CG 4.11Å; V63-Q70 HydrophobicContact CG2-CB 4.42Å; V63-Q70 HydrophobicContact CG2-CG 4.1Å; V63-A73 HydrophobicContact CG2-CB 4.22Å
64	N	77.1	Confident	76.5	Confident	169 Å²	169	84.2 Å²	84.2	90%	0.904	44%	0.442	S	S	*	.	S	Bend	trans	-65.6	113.4	172.1	-70.2	-34.4	0	0	0	109.5
65	G	73.7	Confident	76.5	Confident	58 Å²	58	84 Å²	84	60%	0.598	45%	0.45	S	S	*	.	S	Bend	trans	155.8	-173.7	-179.3	0	0	0	0	0	113.1	V63	V63-G65 PolarHBondContact O-N 3.06Å; V63-G65 VanDerWaalsContact O-N 3.17Å
66	C	77.2	Confident	76.4	Confident	58 Å²	58	85.6 Å²	85.6	39%	0.392	46%	0.455	S	S	.	.			trans	-69.3	154.5	172.7	76.8	0	0	0	0	111.1	E68 Y69 Q70	C66-E68 PolarHBondContact O-N 3.09Å; C66-Y69 HydrophobicContact CB-CD2 4.32Å; C66-Y69 WeakPolarHBondContact O-CB 3.49Å; C66-Y69 PolarHBondContact O-N 2.73Å; C66-Y69 WeakPolarHBondContact SG-CD2 3.31Å; C66-Q70 PolarHBondContact O-N 2.72Å
67	P	76.5	Confident	76.4	Confident	103 Å²	103	79.8 Å²	79.8	67%	0.669	44%	0.439	S	S	*	.	H	α-helix	trans	-53.6	-30	-177.6	-28.7	35.6	0	0	0	114.4	Q70 A71	P67-Q70 PolarHBondContact O-N 2.97Å; P67-A71 WeakPolarHBondContact O-CB 3.19Å; P67-A71 PolarHBondContact O-N 2.92Å
68	E	77.3	Confident	76.6	Confident	156 Å²	156	78.3 Å²	78.3	73%	0.729	43%	0.432	S	S	*	.	H	α-helix	trans	-69	-33.6	178.2	-161.7	173.8	-174.5	0	0	112.7	C66 R72	C66-E68 PolarHBondContact O-N 3.09Å; E68-R72 VanDerWaalsContact O-CB 3.27Å; E68-R72 WeakPolarHBondContact O-CB 3.38Å; E68-R72 PolarHBondContact O-N 2.84Å
69	Y	74.2	Confident	76.6	Confident	130 Å²	130	80.3 Å²	80.3	51%	0.51	45%	0.448	S	S	.	.	H	α-helix	trans	-67.5	-41.1	172.8	-77.5	-67.1	0	0	0	111.7	C66 R72 A73	C66-Y69 HydrophobicContact CB-CD2 4.32Å; C66-Y69 WeakPolarHBondContact O-CB 3.49Å; C66-Y69 PolarHBondContact O-N 2.73Å; C66-Y69 WeakPolarHBondContact SG-CD2 3.31Å; Y69-R72 PolarHBondContact O-N 3.49Å; Y69-A73 VanDerWaalsContact O-CB 3.25Å; Y69-A73 WeakPolarHBondContact O-CB 3.33Å; Y69-A73 PolarHBondContact O-N 3.36Å
70	Q	78.8	Confident	76.1	Confident	43 Å²	43	77 Å²	77	20%	0.201	44%	0.442	C	S	.	.	H	α-helix	trans	-62.2	-52	175.9	-172.9	177.7	8.6	0	0	110.3	H58 I61 V63 C66 P67 R72 A73 T74	H58-Q70 PolarHBondContact O-NE2 3.43Å; H58-Q70 VanDerWaalsContact O-NE2 3.16Å; I61-Q70 PolarHBondContact O-NE2 2.77Å; V63-Q70 HydrophobicContact CB-CB 4.08Å; V63-Q70 HydrophobicContact CB-CG 4.11Å; V63-Q70 HydrophobicContact CG2-CB 4.42Å; V63-Q70 HydrophobicContact CG2-CG 4.1Å; C66-Q70 PolarHBondContact O-N 2.72Å; P67-Q70 PolarHBondContact O-N 2.97Å; Q70-R72 VanDerWaalsContact C-N 3.32Å; Q70-R72 PolarHBondContact O-N 2.86Å; Q70-A73 PolarHBondContact O-N 2.81Å; Q70-A73 VanDerWaalsContact O-N 3.17Å; Q70-T74 WeakPolarHBondContact O-CB 3.47Å; Q70-T74 PolarHBondContact O-N 2.68Å; Q70-T74 PolarHBondContact O-OG1 3.18Å
71	A	78.7	Confident	75.8	Confident	29 Å²	29	75.2 Å²	75.2	24%	0.24	44%	0.436	C	S	.	.	H	α-helix	trans	-54.9	-45.8	176.6	0	0	0	0	0	112.3	Y54 P67 T74 A75	Y54-A71 WeakPolarHBondContact OH-CA 3.29Å; Y54-A71 WeakPolarHBondContact OH-CB 3.33Å; Y54-A71 PolarHBondContact OH-O 2.82Å; P67-A71 WeakPolarHBondContact O-CB 3.19Å; P67-A71 PolarHBondContact O-N 2.92Å; A71-T74 PolarHBondContact O-N 3.16Å; A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 3.02Å
72	R	78.3	Confident	75.5	Confident	144 Å²	144	73.9 Å²	73.9	54%	0.543	43%	0.427	S	S	.	.	H	α-helix	trans	-66.2	-41.5	178.4	-170	176.4	74.4	172.7	3.1	112.8	E68 Y69 Q70 K76	E68-R72 VanDerWaalsContact O-CB 3.27Å; E68-R72 WeakPolarHBondContact O-CB 3.38Å; E68-R72 PolarHBondContact O-N 2.84Å; Y69-R72 PolarHBondContact O-N 3.49Å; Q70-R72 VanDerWaalsContact C-N 3.32Å; Q70-R72 PolarHBondContact O-N 2.86Å; R72-K76 WeakPolarHBondContact O-CG 3.37Å; R72-K76 PolarHBondContact O-N 2.89Å; R72-K76 VanDerWaalsContact O-N 3.13Å
73	A	74.9	Confident	75	Confident	41 Å²	41	71 Å²	71	34%	0.339	42%	0.416	S	S	.	.	H	α-helix	trans	-65.3	-45.6	177.4	0	0	0	0	0	110.8	V63 Y69 Q70 K76 A77	V63-A73 HydrophobicContact CG2-CB 4.22Å; Y69-A73 VanDerWaalsContact O-CB 3.25Å; Y69-A73 WeakPolarHBondContact O-CB 3.33Å; Y69-A73 PolarHBondContact O-N 3.36Å; Q70-A73 PolarHBondContact O-N 2.81Å; Q70-A73 VanDerWaalsContact O-N 3.17Å; A73-K76 PolarHBondContact O-N 3.27Å; A73-A77 WeakPolarHBondContact O-CB 3.37Å; A73-A77 PolarHBondContact O-N 2.8Å
74	T	82.3	Confident	74.3	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-62.5	-42.6	176.6	-59.1	0	0	0	0	112.1	Y54 M57 H58 Q70 A71 K76 A77 T78	Y54-T74 HydrophobicContact CD2-CG2 3.78Å; Y54-T74 HydrophobicContact CE2-CG2 3.79Å; Y54-T74 HydrophobicContact CG-CG2 4.25Å; Y54-T74 VanDerWaalsContact O-CG2 3.31Å; Y54-T74 WeakPolarHBondContact O-CG2 3.34Å; M57-T74 HydrophobicContact CB-CG2 3.67Å; H58-T74 HydrophobicContact CB-CG2 3.87Å; Q70-T74 WeakPolarHBondContact O-CB 3.47Å; Q70-T74 PolarHBondContact O-N 2.68Å; Q70-T74 PolarHBondContact O-OG1 3.18Å; A71-T74 PolarHBondContact O-N 3.16Å; T74-K76 PolarHBondContact O-N 2.75Å; T74-A77 PolarHBondContact O-N 3.01Å; T74-T78 WeakPolarHBondContact O-CB 3.42Å; T74-T78 PolarHBondContact O-N 3.16Å; T74-T78 PolarHBondContact O-OG1 2.99Å
75	A	81.1	Confident	73.4	Confident	39 Å²	39	68.1 Å²	68.1	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-59	-48.3	176	0	0	0	0	0	111	Y54 A71 A77 T78 V79	Y54-A75 HydrophobicContact CD2-CB 4.35Å; Y54-A75 HydrophobicContact CE2-CB 3.82Å; A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 3.02Å; A75-A77 VanDerWaalsContact C-N 3.33Å; A75-A77 PolarHBondContact O-N 3.31Å; A75-T78 PolarHBondContact O-N 3.38Å; A75-V79 WeakPolarHBondContact O-CG2 3.08Å; A75-V79 PolarHBondContact O-N 3.14Å
76	K	75.2	Confident	72.3	Confident	137 Å²	137	69.8 Å²	69.8	60%	0.596	41%	0.409	S	S	*	.	H	α-helix	trans	-61	-42.3	177	-74.3	-179.4	177.7	-170	0	112	R72 A73 T74 V79 A80	R72-K76 WeakPolarHBondContact O-CG 3.37Å; R72-K76 PolarHBondContact O-N 2.89Å; R72-K76 VanDerWaalsContact O-N 3.13Å; A73-K76 PolarHBondContact O-N 3.27Å; T74-K76 PolarHBondContact O-N 2.75Å; K76-V79 PolarHBondContact O-N 2.74Å; K76-A80 VanDerWaalsContact O-CB 3.29Å; K76-A80 WeakPolarHBondContact O-CB 3.34Å; K76-A80 PolarHBondContact O-N 3.05Å
77	A	76.6	Confident	71	Confident	32 Å²	32	69 Å²	69	26%	0.264	41%	0.411	S	S	.	.	H	α-helix	trans	-69.1	-37	-180	0	0	0	0	0	112	M57 A73 T74 A75 A80 A81	M57-A77 HydrophobicContact CE-CB 3.34Å; M57-A77 HydrophobicContact SD-CB 4.36Å; A73-A77 WeakPolarHBondContact O-CB 3.37Å; A73-A77 PolarHBondContact O-N 2.8Å; T74-A77 PolarHBondContact O-N 3.01Å; A75-A77 VanDerWaalsContact C-N 3.33Å; A75-A77 PolarHBondContact O-N 3.31Å; A77-A80 PolarHBondContact O-N 3.42Å; A77-A81 VanDerWaalsContact O-CB 3.27Å; A77-A81 WeakPolarHBondContact O-CB 3.3Å; A77-A81 PolarHBondContact O-N 3.33Å
78	T	79.8	Confident	69.9	Low	2 Å²	2	67.6 Å²	67.6	1%	0.012	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-50.2	173.7	-54.2	0	0	0	0	110.4	I50 V53 Y54 T74 A75 A80 A81 F82	I50-T78 HydrophobicContact CG2-CG2 4.09Å; V53-T78 HydrophobicContact CB-CG2 4.17Å; V53-T78 HydrophobicContact CG1-CG2 3.94Å; Y54-T78 WeakPolarHBondContact CA-OG1 3.49Å; T74-T78 WeakPolarHBondContact O-CB 3.42Å; T74-T78 PolarHBondContact O-N 3.16Å; T74-T78 PolarHBondContact O-OG1 2.99Å; A75-T78 PolarHBondContact O-N 3.38Å; T78-A80 VanDerWaalsContact C-N 3.3Å; T78-A80 PolarHBondContact O-N 2.97Å; T78-A81 WeakPolarHBondContact O-CB 3.34Å; T78-A81 PolarHBondContact O-N 3.02Å; T78-A81 VanDerWaalsContact O-N 3.12Å; T78-F82 HydrophobicContact CG2-CD2 3.86Å; T78-F82 HydrophobicContact CG2-CE2 3.91Å; T78-F82 WeakPolarHBondContact O-CD2 3.47Å; T78-F82 PolarHBondContact O-N 3.39Å
79	V	76.2	Confident	69.2	Low	100 Å²	100	62.5 Å²	62.5	61%	0.606	38%	0.376	S	S	*	.	H	α-helix	trans	-59.7	-42	176.6	173	0	0	0	0	111.1	A75 K76 F82 A83	A75-V79 WeakPolarHBondContact O-CG2 3.08Å; A75-V79 PolarHBondContact O-N 3.14Å; K76-V79 PolarHBondContact O-N 2.74Å; V79-F82 PolarHBondContact O-N 3.33Å; V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.41Å; V79-A83 PolarHBondContact O-N 3.48Å
80	A	65.5	Low	69.1	Low	59 Å²	59	62 Å²	62	49%	0.488	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175.3	0	0	0	0	0	112.2	K76 A77 T78 A83 A84	K76-A80 VanDerWaalsContact O-CB 3.29Å; K76-A80 WeakPolarHBondContact O-CB 3.34Å; K76-A80 PolarHBondContact O-N 3.05Å; A77-A80 PolarHBondContact O-N 3.42Å; T78-A80 VanDerWaalsContact C-N 3.3Å; T78-A80 PolarHBondContact O-N 2.97Å; A80-A83 PolarHBondContact O-N 3.33Å; A80-A84 WeakPolarHBondContact O-CB 3.24Å; A80-A84 PolarHBondContact O-N 3.35Å
81	A	68.8	Low	69.5	Low	40 Å²	40	63.6 Å²	63.6	33%	0.331	39%	0.392	S	S	.	.	H	α-helix	trans	-65.1	-40.9	176.8	0	0	0	0	0	111.6	A77 T78 A84 S85	A77-A81 VanDerWaalsContact O-CB 3.27Å; A77-A81 WeakPolarHBondContact O-CB 3.3Å; A77-A81 PolarHBondContact O-N 3.33Å; T78-A81 WeakPolarHBondContact O-CB 3.34Å; T78-A81 PolarHBondContact O-N 3.02Å; T78-A81 VanDerWaalsContact O-N 3.12Å; A81-A84 CarbonylContact O-C 3.54Å; A81-A84 PolarHBondContact O-N 3.1Å; A81-S85 WeakPolarHBondContact O-CB 3.23Å; A81-S85 PolarHBondContact O-N 2.66Å; A81-S85 PolarHBondContact O-OG 3.4Å
82	F	66.4	Low	70	Confident	35 Å²	35	64.9 Å²	64.9	15%	0.154	39%	0.391	C	S	.	.	H	α-helix	trans	-68.9	-43.1	174.3	-87.5	-87.4	0	0	0	112.9	F46 A49 I50 V53 T78 V79 A84 S85 E86	F46-F82 HydrophobicContact CE2-CD1 4.26Å; A49-F82 HydrophobicContact CB-CZ 4.35Å; I50-F82 VanDerWaalsContact CA-CZ 3.49Å; I50-F82 HydrophobicContact CB-CE2 4.09Å; I50-F82 HydrophobicContact CB-CZ 4.16Å; I50-F82 HydrophobicContact CG1-CD1 3.92Å; I50-F82 HydrophobicContact CG1-CD2 3.87Å; I50-F82 HydrophobicContact CG1-CE1 3.7Å; I50-F82 HydrophobicContact CG1-CE2 3.64Å; I50-F82 HydrophobicContact CG1-CG 4.01Å; I50-F82 HydrophobicContact CG1-CZ 3.57Å; V53-F82 HydrophobicContact CB-CE2 3.68Å; V53-F82 HydrophobicContact CB-CZ 4.26Å; V53-F82 HydrophobicContact CG1-CE2 3.99Å; V53-F82 HydrophobicContact CG2-CE2 3.63Å; V53-F82 HydrophobicContact CG2-CZ 3.74Å; T78-F82 HydrophobicContact CG2-CD2 3.86Å; T78-F82 HydrophobicContact CG2-CE2 3.91Å; T78-F82 WeakPolarHBondContact O-CD2 3.47Å; T78-F82 PolarHBondContact O-N 3.39Å; V79-F82 PolarHBondContact O-N 3.33Å; F82-A84 PolarHBondContact O-N 3.05Å; F82-S85 WeakPolarHBondContact CA-OG 3.34Å; F82-S85 PolarHBondContact O-N 2.99Å; F82-S85 VanDerWaalsContact O-N 3.16Å; F82-S85 PolarHBondContact O-OG 3.21Å; F82-E86 PolarHBondContact O-N 3.41Å
83	A	61.8	Low	70.8	Confident	68 Å²	68	62.1 Å²	62.1	56%	0.562	39%	0.39	S	S	*	.	H	α-helix	trans	-61.3	-25.1	172.9	0	0	0	0	0	112.2	V79 A80	V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.41Å; V79-A83 PolarHBondContact O-N 3.48Å; A80-A83 PolarHBondContact O-N 3.33Å
84	A	59.4	Low	71.7	Confident	73 Å²	73	60.5 Å²	60.5	60%	0.603	38%	0.376	S	S	*	.	H	α-helix	trans	-89.2	-30.7	173.8	0	0	0	0	0	113.6	A80 A81 F82	A80-A84 WeakPolarHBondContact O-CB 3.24Å; A80-A84 PolarHBondContact O-N 3.35Å; A81-A84 CarbonylContact O-C 3.54Å; A81-A84 PolarHBondContact O-N 3.1Å; F82-A84 PolarHBondContact O-N 3.05Å
85	S	58.1	Low	72.4	Confident	84 Å²	84	65.4 Å²	65.4	59%	0.587	40%	0.399	S	S	*	.	H	α-helix	trans	-83.2	-32.7	-174.5	72.8	0	0	0	0	112.7	A81 F82 G87	A81-S85 WeakPolarHBondContact O-CB 3.23Å; A81-S85 PolarHBondContact O-N 2.66Å; A81-S85 PolarHBondContact O-OG 3.4Å; F82-S85 WeakPolarHBondContact CA-OG 3.34Å; F82-S85 PolarHBondContact O-N 2.99Å; F82-S85 VanDerWaalsContact O-N 3.16Å; F82-S85 PolarHBondContact O-OG 3.21Å; S85-G87 VanDerWaalsContact C-N 3.29Å; S85-G87 PolarHBondContact O-N 2.9Å
86	E	51.3	Low	73.1	Confident	93 Å²	93	63.5 Å²	63.5	44%	0.435	38%	0.383	S	S	.	.	S	Bend	trans	-77.9	85.6	160.7	-69.9	-157.2	164.1	0	0	108.7	F82 H88 H90	F82-E86 PolarHBondContact O-N 3.41Å; E86-H88 PolarHBondContact O-N 3.42Å; E86-H90 IonicContact OE2-CE1 3.63Å
87	G	49.8	Very low	74	Confident	42 Å²	42	60 Å²	60	43%	0.433	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.7	96.3	-176	0	0	0	0	0	113.8	S85 S89	S85-G87 VanDerWaalsContact C-N 3.29Å; S85-G87 PolarHBondContact O-N 2.9Å; G87-S89 PolarHBondContact O-N 3.39Å
88	H	52.9	Low	74.8	Confident	73 Å²	73	61.3 Å²	61.3	34%	0.338	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	26.5	161.6	-55	-64.8	0	0	0	116.9	E86 H90 K135 Y173	E86-H88 PolarHBondContact O-N 3.42Å; H88-H90 VanDerWaalsContact C-N 3.25Å; H88-H90 PolarHBondContact O-N 2.82Å; H88-K135 PolarHBondContact NE2-NZ 2.99Å; H88-Y173 HydrophobicContact CB-CD1 3.62Å; H88-Y173 HydrophobicContact CB-CG 3.68Å; H88-Y173 AromaticContact CD2-CD1 3.87Å; H88-Y173 WeakPolarHBondContact O-CB 3.34Å; H88-Y173 PolarHBondContact O-N 3.5Å
89	S	62.7	Low	75.3	Confident	48 Å²	48	63.7 Å²	63.7	34%	0.336	39%	0.389	S	S	.	.			trans	-75.3	-10.4	-179.9	55.3	0	0	0	0	114	G87 R172	G87-S89 PolarHBondContact O-N 3.39Å; S89-R172 WeakPolarHBondContact O-CD 3.33Å; S89-R172 WeakPolarHBondContact O-CG 3.49Å
90	H	72.6	Confident	75.8	Confident	121 Å²	121	69 Å²	69	56%	0.56	41%	0.407	S	S	*	.	S	Bend	trans	-90.1	136.7	177.8	-68.5	79.7	0	0	0	111	E86 H88 R92	E86-H90 IonicContact OE2-CE1 3.63Å; H88-H90 VanDerWaalsContact C-N 3.25Å; H88-H90 PolarHBondContact O-N 2.82Å; H90-R92 PolarHBondContact O-N 3.35Å
91	P	86.9	Confident	76.8	Confident	76 Å²	76	73 Å²	73	49%	0.494	42%	0.416	S	S	.	.			trans	-52.8	128.1	171.4	-27.2	36	0	0	0	111.1	L141 V170 V171	P91-L141 HydrophobicContact CB-CD1 3.84Å; P91-L141 HydrophobicContact CG-CD1 3.84Å; P91-V170 HydrophobicContact CB-CG1 3.93Å; P91-V171 CarbonylContact C-O 3.53Å; P91-V171 WeakPolarHBondContact CA-O 3.47Å
92	R	89.9	Confident	77.9	Confident	56 Å²	56	72.2 Å²	72.2	21%	0.211	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.9	175.9	71.4	-176.2	-168.8	-77.4	-0.5	110.5	H90 V94 G133 D138 V170 V171	H90-R92 PolarHBondContact O-N 3.35Å; R92-V94 HydrophobicContact CG-CG2 4.29Å; R92-G133 PolarHBondContact NE-O 3.15Å; R92-G133 PolarHBondContact NH2-O 2.97Å; R92-D138 IonicContact CZ-OD1 2.7Å; R92-D138 IonicContact CZ-OD2 3.39Å; R92-D138 IonicContact NH1-OD1 2.81Å; R92-D138 PolarHBondContact NH1-OD1 3.23Å; R92-D138 IonicContact NH1-OD2 3.81Å; R92-D138 VanDerWaalsContact NH2-CG 3.27Å; R92-D138 IonicContact NH2-OD1 3.45Å; R92-D138 PolarHBondContact NH2-OD1 3.49Å; R92-D138 VanDerWaalsContact NH2-OD1 3.14Å; R92-D138 IonicContact NH2-OD2 3.91Å; R92-D138 PolarHBondContact NH2-OD2 3Å; R92-V170 WeakPolarHBondContact O-CA 3.35Å; R92-V171 HydrophobicContact CG-CG2 3.75Å; R92-V171 PolarHBondContact N-O 3.25Å; R92-V171 PolarHBondContact O-N 2.57Å
93	V	93.7	Very high	79.3	Confident	85 Å²	85	71.5 Å²	71.5	52%	0.515	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.7	175.8	-179.5	0	0	0	0	109.1	K168 L169 V170	V93-K168 HydrophobicContact CG1-CD 4.17Å; V93-K168 HydrophobicContact CG1-CG 3.68Å; V93-L169 CarbonylContact C-O 3.55Å; V93-L169 VanDerWaalsContact CA-O 3.3Å; V93-L169 WeakPolarHBondContact CA-O 3.5Å; V93-V170 HydrophobicContact CG2-CG2 4.29Å
94	V	94.6	Very high	80.9	Confident	7 Å²	7	68.6 Å²	68.6	4%	0.042	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.2	172.4	-175.4	0	0	0	0	108.2	R92 L96 G133 L134 L169 V171	R92-V94 HydrophobicContact CG-CG2 4.29Å; V94-L96 HydrophobicContact CG1-CD2 4.23Å; V94-L96 HydrophobicContact CG1-CG 4.2Å; V94-G133 WeakPolarHBondContact CG2-O 3.19Å; V94-L134 HydrophobicContact CB-CD2 3.99Å; V94-L134 HydrophobicContact CG1-CD2 4Å; V94-L134 HydrophobicContact CG1-CG 4.06Å; V94-L134 HydrophobicContact CG2-CD2 3.95Å; V94-L169 PolarHBondContact N-O 3.2Å; V94-L169 PolarHBondContact O-N 3.46Å; V94-V171 HydrophobicContact CG2-CG2 3.91Å
95	E	96.5	Very high	82.7	Confident	103 Å²	103	66.1 Å²	66.1	48%	0.481	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.4	175	-171.1	166.3	179.7	0	0	109.2	H131 S166 V167	E95-H131 PolarHBondContact O-NE2 3.44Å; E95-S166 PolarHBondContact OE1-OG 3.12Å; E95-V167 CarbonylContact C-O 3.58Å; E95-V167 VanDerWaalsContact CA-O 3.32Å; E95-V167 WeakPolarHBondContact CA-O 3.43Å
96	L	95.8	Very high	84.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.2	179	-67.8	178.2	0	0	0	110.4	V94 L103 F105 A128 H131 L134 S166 V167 L169	V94-L96 HydrophobicContact CG1-CD2 4.23Å; V94-L96 HydrophobicContact CG1-CG 4.2Å; L96-L103 HydrophobicContact CB-CD2 4.45Å; L96-F105 HydrophobicContact CD1-CD1 4.27Å; L96-F105 HydrophobicContact CD1-CE1 3.94Å; L96-A128 HydrophobicContact CD1-CB 4.2Å; L96-H131 HydrophobicContact CD2-CB 3.44Å; L96-H131 VanDerWaalsContact CD2-CB 3.44Å; L96-H131 WeakPolarHBondContact CD2-ND1 3.34Å; L96-L134 HydrophobicContact CD1-CD1 3.4Å; L96-L134 VanDerWaalsContact CD1-CD1 3.4Å; L96-L134 HydrophobicContact CD1-CG 4.2Å; L96-L134 HydrophobicContact CG-CD1 4.44Å; L96-S166 CarbonylContact O-C 3.56Å; L96-S166 VanDerWaalsContact O-CA 3.23Å; L96-S166 WeakPolarHBondContact O-CA 3.36Å; L96-S166 WeakPolarHBondContact O-CB 3.47Å; L96-V167 HydrophobicContact CB-CG1 3.97Å; L96-V167 PolarHBondContact N-O 2.98Å; L96-V167 PolarHBondContact O-N 3.31Å; L96-L169 HydrophobicContact CD1-CD1 4.33Å
97	P	95.5	Very high	86.8	Confident	64 Å²	64	62.3 Å²	62.3	42%	0.416	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.2	167	29.7	-32.7	0	0	0	109.2	V127	P97-V127 HydrophobicContact CG-CG1 3.9Å; P97-V127 WeakPolarHBondContact O-CG1 3.29Å
98	K	92.6	Very high	89	Confident	58 Å²	58	61.9 Å²	61.9	25%	0.252	33%	0.325	S	S	.	.			trans	-97.4	127.9	172	-173.6	171.3	-177.2	166.8	0	109.2	L103 L160 K161 A163 K164 D165	K98-L103 HydrophobicContact CB-CD2 4.06Å; K98-L103 HydrophobicContact CG-CD2 4.16Å; K98-L160 PolarHBondContact NZ-O 3.11Å; K98-K161 VanDerWaalsContact NZ-C 3.27Å; K98-K161 PolarHBondContact NZ-O 3Å; K98-A163 HydrophobicContact CD-CB 4.22Å; K98-A163 WeakPolarHBondContact CD-O 3.49Å; K98-A163 WeakPolarHBondContact CE-O 3.22Å; K98-A163 PolarHBondContact NZ-O 2.85Å; K98-K164 WeakPolarHBondContact CB-O 3.35Å; K98-D165 PolarHBondContact N-O 3.48Å
99	T	90.6	Very high	91	Very high	53 Å²	53	58.4 Å²	58.4	33%	0.325	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-115.6	172.7	-178.8	67.6	0	0	0	0	110.3	E101 G102 V127	T99-E101 PolarHBondContact O-N 3.42Å; T99-E101 PolarHBondContact OG1-N 2.99Å; T99-G102 PolarHBondContact N-O 3.32Å; T99-G102 WeakPolarHBondContact O-CA 3.16Å; T99-G102 PolarHBondContact O-N 3.49Å; T99-G102 PolarHBondContact OG1-O 2.95Å; T99-V127 HydrophobicContact CG2-CG2 3.66Å; T99-V127 WeakPolarHBondContact OG1-CG2 3.38Å
100	E	87.1	Confident	92.6	Very high	212 Å²	212	56.1 Å²	56.1	99%	0.991	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.3	172.5	-61.5	-170.5	171.1	0	0	112.4	G102	E100-G102 PolarHBondContact O-N 2.91Å
101	E	86	Confident	93.7	Very high	143 Å²	143	55.8 Å²	55.8	67%	0.668	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.1	173.8	-56.8	176.7	164.8	0	0	112.9	T99 R130	T99-E101 PolarHBondContact O-N 3.42Å; T99-E101 PolarHBondContact OG1-N 2.99Å; E101-R130 IonicContact OE2-NH1 2.66Å; E101-R130 IonicContact OE2-NH2 3.57Å
102	G	91.9	Very high	94.1	Very high	23 Å²	23	56.4 Å²	56.4	24%	0.237	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	86.7	-148.2	-173.6	0	0	0	0	0	113	T99 E100	T99-G102 PolarHBondContact N-O 3.32Å; T99-G102 WeakPolarHBondContact O-CA 3.16Å; T99-G102 PolarHBondContact O-N 3.49Å; T99-G102 PolarHBondContact OG1-O 2.95Å; E100-G102 PolarHBondContact O-N 2.91Å
103	L	95.8	Very high	94.2	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.099	29%	0.291	C	S	.	.			trans	-100.9	-12	-173.5	-61.6	172.8	0	0	0	113.9	L96 K98 F105 A128 L160 V167	L96-L103 HydrophobicContact CB-CD2 4.45Å; K98-L103 HydrophobicContact CB-CD2 4.06Å; K98-L103 HydrophobicContact CG-CD2 4.16Å; L103-F105 HydrophobicContact CB-CD1 3.79Å; L103-F105 HydrophobicContact CB-CE1 3.48Å; L103-F105 VanDerWaalsContact CB-CE1 3.48Å; L103-F105 HydrophobicContact CB-CZ 4.34Å; L103-F105 HydrophobicContact CD1-CE1 3.84Å; L103-F105 HydrophobicContact CD1-CZ 3.98Å; L103-F105 HydrophobicContact CG-CE1 4.27Å; L103-A128 VanDerWaalsContact O-CB 3.31Å; L103-A128 WeakPolarHBondContact O-CB 3.37Å; L103-A128 PolarHBondContact O-N 2.89Å; L103-L160 HydrophobicContact CD1-CB 4.23Å; L103-L160 HydrophobicContact CD1-CD2 3.9Å; L103-V167 HydrophobicContact CD1-CG1 3.89Å; L103-V167 HydrophobicContact CD2-CB 4.47Å; L103-V167 HydrophobicContact CD2-CG1 3.52Å; L103-V167 HydrophobicContact CG-CG1 4.36Å
104	G	95.9	Very high	94.1	Very high	7 Å²	7	59.3 Å²	59.3	7%	0.072	30%	0.301	C	S	.	.	S	Bend	trans	78.9	24.3	176	0	0	0	0	0	115.9	I123	G104-I123 WeakPolarHBondContact O-CB 3.49Å; G104-I123 WeakPolarHBondContact O-CG1 3.16Å; G104-I123 PolarHBondContact O-N 2.95Å
105	F	97.6	Very high	94.1	Very high	21 Å²	21	59.6 Å²	59.6	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.1	174.8	67.6	-92.8	0	0	0	112.4	L96 L103 V107 I119 R121 I122 A128 L134 L160 L169	L96-F105 HydrophobicContact CD1-CD1 4.27Å; L96-F105 HydrophobicContact CD1-CE1 3.94Å; L103-F105 HydrophobicContact CB-CD1 3.79Å; L103-F105 HydrophobicContact CB-CE1 3.48Å; L103-F105 VanDerWaalsContact CB-CE1 3.48Å; L103-F105 HydrophobicContact CB-CZ 4.34Å; L103-F105 HydrophobicContact CD1-CE1 3.84Å; L103-F105 HydrophobicContact CD1-CZ 3.98Å; L103-F105 HydrophobicContact CG-CE1 4.27Å; F105-V107 HydrophobicContact CD2-CG1 4.04Å; F105-V107 HydrophobicContact CE2-CG1 3.69Å; F105-I119 HydrophobicContact CB-CG2 4.1Å; F105-I119 HydrophobicContact CD2-CD1 4.21Å; F105-I119 HydrophobicContact CD2-CG1 4.19Å; F105-I119 HydrophobicContact CD2-CG2 4.25Å; F105-I119 HydrophobicContact CE2-CD1 4.4Å; F105-I119 HydrophobicContact CE2-CG1 4.43Å; F105-I119 HydrophobicContact CG-CG2 4.48Å; F105-R121 CarbonylContact C-O 3.51Å; F105-R121 VanDerWaalsContact CA-O 3.23Å; F105-R121 WeakPolarHBondContact CA-O 3.49Å; F105-R121 WeakPolarHBondContact CB-O 3.37Å; F105-I122 HydrophobicContact CB-CD1 3.99Å; F105-A128 HydrophobicContact CB-CB 4.22Å; F105-A128 HydrophobicContact CD1-CB 4Å; F105-L134 HydrophobicContact CD1-CD1 3.69Å; F105-L134 HydrophobicContact CE1-CD1 3.73Å; F105-L134 HydrophobicContact CG-CD1 4.27Å; F105-L134 HydrophobicContact CZ-CD1 4.37Å; F105-L160 HydrophobicContact CE2-CD1 4.21Å; F105-L160 HydrophobicContact CZ-CD1 4.28Å; F105-L160 HydrophobicContact CZ-CD2 4.02Å; F105-L169 HydrophobicContact CE1-CD1 4.13Å; F105-L169 HydrophobicContact CZ-CD1 3.96Å
106	N	97.2	Very high	94	Very high	71 Å²	71	57.1 Å²	57.1	38%	0.38	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.3	174.3	-65.8	6.1	0	0	0	110.7	I119 S120 R121	N106-I119 CarbonylContact O-C 3.59Å; N106-I119 WeakPolarHBondContact O-CA 3.31Å; N106-S120 WeakPolarHBondContact CB-OG 3.43Å; N106-S120 PolarHBondContact O-N 2.93Å; N106-S120 PolarHBondContact O-OG 2.69Å; N106-R121 HydrophobicContact CB-CB 4.15Å; N106-R121 PolarHBondContact N-O 3.38Å
107	V	97.1	Very high	94.1	Very high	26 Å²	26	57.3 Å²	57.3	16%	0.158	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	155.1	172.1	-67.6	0	0	0	0	111.7	F105 I117 Y118 V157 L160	F105-V107 HydrophobicContact CD2-CG1 4.04Å; F105-V107 HydrophobicContact CE2-CG1 3.69Å; V107-I117 HydrophobicContact CB-CG2 4.13Å; V107-I117 HydrophobicContact CG1-CG2 4.32Å; V107-Y118 CarbonylContact C-O 3.53Å; V107-Y118 WeakPolarHBondContact CA-O 3.34Å; V107-V157 HydrophobicContact CG2-CG2 4.07Å; V107-L160 HydrophobicContact CG1-CD1 4.26Å
108	M	95.7	Very high	94.2	Very high	34 Å²	34	54.4 Å²	54.4	17%	0.167	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	174.1	172.1	75.3	179.9	-79.5	0	0	111.2	I117 Y118 S120 L178 M181 E182 F185	M108-I117 WeakPolarHBondContact O-CA 3.34Å; M108-Y118 PolarHBondContact N-O 2.9Å; M108-Y118 PolarHBondContact O-N 3.29Å; M108-S120 VanDerWaalsContact SD-CB 3.54Å; M108-L178 HydrophobicContact CG-CD1 4.19Å; M108-L178 HydrophobicContact SD-CD1 3.65Å; M108-M181 HydrophobicContact CE-CE 3.72Å; M108-M181 HydrophobicContact CG-CE 3.88Å; M108-M181 HydrophobicContact SD-CE 4.2Å; M108-E182 HydrophobicContact CE-CG 4.03Å; M108-E182 HydrophobicContact SD-CG 4.14Å; M108-F185 HydrophobicContact CE-CD2 3.56Å; M108-F185 HydrophobicContact CE-CE2 3.54Å
109	G	95.9	Very high	94.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.4	-167.1	-173.7	0	0	0	0	0	111.5	Q113 P116 H153	G109-Q113 PolarHBondContact O-NE2 2.83Å; G109-P116 WeakPolarHBondContact CA-O 3.48Å; G109-H153 WeakPolarHBondContact O-CB 3.48Å; G109-H153 PolarHBondContact O-ND1 2.9Å
110	G	96.4	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.2	157.2	-168.3	0	0	0	0	0	111.1	E112 Q113 N114 S115	G110-E112 PolarHBondContact O-N 2.98Å; G110-Q113 PolarHBondContact O-N 2.84Å; G110-N114 PolarHBondContact O-N 2.91Å; G110-S115 CarbonylContact C-O 3.07Å; G110-S115 WeakPolarHBondContact CA-O 3.28Å; G110-S115 PolarHBondContact N-O 3.28Å; G110-S115 PolarHBondContact O-N 3.27Å
111	K	96	Very high	95.2	Very high	114 Å²	114	47 Å²	47	50%	0.496	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-52.2	-38.6	-179.7	-170.7	-175.3	-167.5	166.3	0	113	Q113 N114 G150 E151	K111-Q113 PolarHBondContact O-N 2.74Å; K111-Q113 VanDerWaalsContact O-N 3.13Å; K111-N114 PolarHBondContact O-N 2.79Å; K111-G150 VanDerWaalsContact CD-O 3.31Å; K111-G150 WeakPolarHBondContact CD-O 3.22Å; K111-E151 WeakPolarHBondContact CB-O 3.38Å; K111-E151 PolarHBondContact N-O 2.83Å
112	E	94.3	Very high	95.7	Very high	89 Å²	89	41.6 Å²	41.6	42%	0.416	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-64.3	-17.3	179.7	72.2	-64.5	152.2	0	0	113.9	G110 H152 H153	G110-E112 PolarHBondContact O-N 2.98Å; E112-H152 IonicContact OE2-CG 2.75Å; E112-H152 IonicContact OE2-ND1 3.14Å; E112-H152 PolarHBondContact OE2-ND1 2.9Å; E112-H153 WeakPolarHBondContact OE1-CB 3.44Å; E112-H153 PolarHBondContact OE2-N 3.05Å
113	Q	91.5	Very high	96	Very high	64 Å²	64	43.9 Å²	43.9	30%	0.299	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-103.2	5.5	175.6	-66	168	68.2	0	0	112.5	G109 G110 K111 S115 R184 F185	G109-Q113 PolarHBondContact O-NE2 2.83Å; G110-Q113 PolarHBondContact O-N 2.84Å; K111-Q113 PolarHBondContact O-N 2.74Å; K111-Q113 VanDerWaalsContact O-N 3.13Å; Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 2.8Å; Q113-S115 PolarHBondContact O-OG 3.01Å; Q113-R184 PolarHBondContact O-NH1 3.46Å; Q113-F185 HydrophobicContact CB-CE1 4.17Å; Q113-F185 HydrophobicContact CB-CZ 3.89Å; Q113-F185 HydrophobicContact CG-CZ 4.44Å
114	N	92.3	Very high	96	Very high	137 Å²	137	47.8 Å²	47.8	73%	0.733	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	52.6	-169.3	-67.7	-40.3	0	0	0	110.7	G110 K111	G110-N114 PolarHBondContact O-N 2.91Å; K111-N114 PolarHBondContact O-N 2.79Å
115	S	93.6	Very high	95.9	Very high	14 Å²	14	49.3 Å²	49.3	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	141.6	-170.4	-72.5	0	0	0	0	111.3	G110 Q113 M181	G110-S115 CarbonylContact C-O 3.07Å; G110-S115 WeakPolarHBondContact CA-O 3.28Å; G110-S115 PolarHBondContact N-O 3.28Å; G110-S115 PolarHBondContact O-N 3.27Å; Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 2.8Å; Q113-S115 PolarHBondContact O-OG 3.01Å; S115-M181 WeakPolarHBondContact CB-SD 3.18Å
116	P	95.3	Very high	95.8	Very high	51 Å²	51	48.7 Å²	48.7	33%	0.331	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	165.4	171.8	-15.7	29.2	0	0	0	111.7	G109 Y118 Q139	G109-P116 WeakPolarHBondContact CA-O 3.48Å; P116-Y118 HydrophobicContact CB-CD2 4.16Å; P116-Y118 HydrophobicContact CB-CE2 3.72Å; P116-Y118 HydrophobicContact CG-CE2 3.97Å; P116-Q139 HydrophobicContact CB-CG 4.06Å
117	I	97.8	Very high	95.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.7	176	-64.1	158.6	0	0	0	109.1	V107 M108 Q139 L140 V148 A156	V107-I117 HydrophobicContact CB-CG2 4.13Å; V107-I117 HydrophobicContact CG1-CG2 4.32Å; M108-I117 WeakPolarHBondContact O-CA 3.34Å; I117-Q139 WeakPolarHBondContact O-CA 3.33Å; I117-L140 HydrophobicContact CB-CB 4.45Å; I117-L140 HydrophobicContact CG2-CB 4.06Å; I117-L140 HydrophobicContact CG2-CD2 4.12Å; I117-L140 PolarHBondContact O-N 3.17Å; I117-V148 HydrophobicContact CD1-CB 4.03Å; I117-V148 HydrophobicContact CD1-CG2 4.23Å; I117-A156 HydrophobicContact CD1-CB 3.51Å; I117-A156 HydrophobicContact CG2-CB 4.31Å
118	Y	97.6	Very high	95.7	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.9	-176.2	-85.8	-90.2	0	0	0	112.2	V107 M108 P116 S120 D138 Q139 T174 V177 L178 M181	V107-Y118 CarbonylContact C-O 3.53Å; V107-Y118 WeakPolarHBondContact CA-O 3.34Å; M108-Y118 PolarHBondContact N-O 2.9Å; M108-Y118 PolarHBondContact O-N 3.29Å; P116-Y118 HydrophobicContact CB-CD2 4.16Å; P116-Y118 HydrophobicContact CB-CE2 3.72Å; P116-Y118 HydrophobicContact CG-CE2 3.97Å; Y118-S120 PolarHBondContact O-N 3.35Å; Y118-D138 CarbonylContact C-O 3.52Å; Y118-D138 WeakPolarHBondContact CA-O 3.21Å; Y118-D138 WeakPolarHBondContact CD1-O 2.96Å; Y118-Q139 HydrophobicContact CD1-CB 4.15Å; Y118-Q139 HydrophobicContact CE1-CB 3.68Å; Y118-Q139 HydrophobicContact CE1-CG 4.41Å; Y118-Q139 HydrophobicContact CE2-CB 4.38Å; Y118-Q139 HydrophobicContact CE2-CG 4.23Å; Y118-T174 WeakPolarHBondContact CE1-OG1 3.16Å; Y118-T174 PolarHBondContact OH-OG1 2.95Å; Y118-V177 HydrophobicContact CE2-CG1 4.34Å; Y118-V177 WeakPolarHBondContact OH-CB 3.25Å; Y118-V177 VanDerWaalsContact OH-CG1 3.25Å; Y118-V177 WeakPolarHBondContact OH-CG1 3.09Å; Y118-L178 HydrophobicContact CD1-CB 4.02Å; Y118-L178 HydrophobicContact CD1-CD1 4.26Å; Y118-L178 HydrophobicContact CE1-CB 4.27Å; Y118-L178 HydrophobicContact CG-CD1 3.98Å; Y118-M181 HydrophobicContact CD2-CE 3.88Å; Y118-M181 HydrophobicContact CD2-SD 4.22Å; Y118-M181 HydrophobicContact CE2-SD 4.46Å; Y118-M181 HydrophobicContact CG-CE 4.44Å
119	I	97.6	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	106.1	163.6	-56.7	-170.9	0	0	0	108.5	F105 N106 I122 L134 G137 D138	F105-I119 HydrophobicContact CB-CG2 4.1Å; F105-I119 HydrophobicContact CD2-CD1 4.21Å; F105-I119 HydrophobicContact CD2-CG1 4.19Å; F105-I119 HydrophobicContact CD2-CG2 4.25Å; F105-I119 HydrophobicContact CE2-CD1 4.4Å; F105-I119 HydrophobicContact CE2-CG1 4.43Å; F105-I119 HydrophobicContact CG-CG2 4.48Å; N106-I119 CarbonylContact O-C 3.59Å; N106-I119 WeakPolarHBondContact O-CA 3.31Å; I119-I122 HydrophobicContact CG2-CD1 3.76Å; I119-L134 HydrophobicContact CD1-CB 4.1Å; I119-L134 HydrophobicContact CD1-CD1 3.69Å; I119-L134 HydrophobicContact CD1-CD2 3.75Å; I119-L134 HydrophobicContact CD1-CG 4.06Å; I119-G137 PolarHBondContact O-N 3.41Å; I119-D138 HydrophobicContact CB-CB 4.26Å; I119-D138 HydrophobicContact CD1-CB 3.93Å; I119-D138 HydrophobicContact CG1-CB 4.11Å; I119-D138 PolarHBondContact N-O 3.07Å
120	S	96.6	Very high	95.5	Very high	17 Å²	17	54.7 Å²	54.7	12%	0.119	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-26.8	-177.8	60.4	0	0	0	0	113	N106 M108 Y118 R136	N106-S120 WeakPolarHBondContact CB-OG 3.43Å; N106-S120 PolarHBondContact O-N 2.93Å; N106-S120 PolarHBondContact O-OG 2.69Å; M108-S120 VanDerWaalsContact SD-CB 3.54Å; Y118-S120 PolarHBondContact O-N 3.35Å; S120-R136 WeakPolarHBondContact O-CG 3.48Å; S120-R136 PolarHBondContact O-NH1 2.9Å
121	R	97.3	Very high	95.4	Very high	149 Å²	149	59.1 Å²	59.1	56%	0.562	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.1	138.7	-177.3	-178	177.6	-69.4	-170.6	-2.5	110.9	F105 N106	F105-R121 CarbonylContact C-O 3.51Å; F105-R121 VanDerWaalsContact CA-O 3.23Å; F105-R121 WeakPolarHBondContact CA-O 3.49Å; F105-R121 WeakPolarHBondContact CB-O 3.37Å; N106-R121 HydrophobicContact CB-CB 4.15Å; N106-R121 PolarHBondContact N-O 3.38Å
122	I	97.3	Very high	95.1	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.159	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.9	161.6	-57.9	-59.4	0	0	0	107.3	F105 I119 P124 A128 E129 L134	F105-I122 HydrophobicContact CB-CD1 3.99Å; I119-I122 HydrophobicContact CG2-CD1 3.76Å; I122-P124 WeakPolarHBondContact O-CD 3.36Å; I122-A128 HydrophobicContact CD1-CB 4.24Å; I122-A128 HydrophobicContact CG2-CB 4.42Å; I122-E129 HydrophobicContact CG2-CB 3.64Å; I122-E129 HydrophobicContact CG2-CG 4.19Å; I122-L134 HydrophobicContact CD1-CB 3.85Å
123	I	97	Very high	94.8	Very high	70 Å²	70	52.8 Å²	52.8	36%	0.359	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-81.5	122.9	-178.1	-61.2	178.3	0	0	0	108.5	G104 G125 G126	G104-I123 WeakPolarHBondContact O-CB 3.49Å; G104-I123 WeakPolarHBondContact O-CG1 3.16Å; G104-I123 PolarHBondContact O-N 2.95Å; I123-G125 PolarHBondContact O-N 3.34Å; I123-G126 PolarHBondContact O-N 3.08Å
124	P	96.1	Very high	94.9	Very high	101 Å²	101	50.1 Å²	50.1	66%	0.656	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134.8	176.7	-25.6	35.3	0	0	0	112	I122 G126 E129	I122-P124 WeakPolarHBondContact O-CD 3.36Å; P124-G126 PolarHBondContact O-N 2.7Å; P124-G126 VanDerWaalsContact O-N 3.15Å; P124-E129 WeakPolarHBondContact CA-OE2 3.46Å
125	G	93.9	Very high	94.9	Very high	40 Å²	40	47.7 Å²	47.7	41%	0.412	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-4.6	-174.3	0	0	0	0	0	114.5	I123 E129 R130	I123-G125 PolarHBondContact O-N 3.34Å; G125-E129 PolarHBondContact N-OE2 3.35Å; G125-R130 PolarHBondContact O-NH1 2.87Å
126	G	95.4	Very high	95	Very high	7 Å²	7	52.7 Å²	52.7	7%	0.072	28%	0.276	C	S	.	.	S	Bend	trans	-78.6	171.9	-175.7	0	0	0	0	0	114.1	I123 P124 A128 E129 R130	I123-G126 PolarHBondContact O-N 3.08Å; P124-G126 PolarHBondContact O-N 2.7Å; P124-G126 VanDerWaalsContact O-N 3.15Å; G126-A128 PolarHBondContact O-N 3.23Å; G126-E129 PolarHBondContact O-N 3.01Å; G126-E129 VanDerWaalsContact O-N 3.14Å; G126-R130 WeakPolarHBondContact O-CG 3.39Å; G126-R130 PolarHBondContact O-N 3.19Å
127	V	95.9	Very high	95	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-55.3	-47.9	-176.8	178.5	0	0	0	0	112.9	P97 T99 E129 R130 H131	P97-V127 HydrophobicContact CG-CG1 3.9Å; P97-V127 WeakPolarHBondContact O-CG1 3.29Å; T99-V127 HydrophobicContact CG2-CG2 3.66Å; T99-V127 WeakPolarHBondContact OG1-CG2 3.38Å; V127-E129 VanDerWaalsContact C-N 3.32Å; V127-E129 PolarHBondContact O-N 3.08Å; V127-R130 PolarHBondContact O-N 3.44Å; V127-H131 WeakPolarHBondContact O-CB 3.38Å; V127-H131 PolarHBondContact O-N 3.49Å
128	A	96.1	Very high	94.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-37	179	0	0	0	0	0	113.5	L96 L103 F105 I122 G126 G132 L134	L96-A128 HydrophobicContact CD1-CB 4.2Å; L103-A128 VanDerWaalsContact O-CB 3.31Å; L103-A128 WeakPolarHBondContact O-CB 3.37Å; L103-A128 PolarHBondContact O-N 2.89Å; F105-A128 HydrophobicContact CB-CB 4.22Å; F105-A128 HydrophobicContact CD1-CB 4Å; I122-A128 HydrophobicContact CD1-CB 4.24Å; I122-A128 HydrophobicContact CG2-CB 4.42Å; G126-A128 PolarHBondContact O-N 3.23Å; A128-G132 PolarHBondContact O-N 3.12Å; A128-G132 VanDerWaalsContact O-N 3.12Å; A128-L134 HydrophobicContact CB-CB 4.49Å; A128-L134 HydrophobicContact CB-CD1 4.17Å
129	E	95.2	Very high	94.8	Very high	96 Å²	96	50.7 Å²	50.7	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-69.5	-49.3	176.7	-166.1	178.9	-112.3	0	0	111	I122 P124 G125 G126 V127 H131 G132	I122-E129 HydrophobicContact CG2-CB 3.64Å; I122-E129 HydrophobicContact CG2-CG 4.19Å; P124-E129 WeakPolarHBondContact CA-OE2 3.46Å; G125-E129 PolarHBondContact N-OE2 3.35Å; G126-E129 PolarHBondContact O-N 3.01Å; G126-E129 VanDerWaalsContact O-N 3.14Å; V127-E129 VanDerWaalsContact C-N 3.32Å; V127-E129 PolarHBondContact O-N 3.08Å; E129-H131 PolarHBondContact O-N 3.18Å; E129-G132 PolarHBondContact O-N 3.31Å
130	R	93.1	Very high	94.8	Very high	155 Å²	155	50.7 Å²	50.7	59%	0.585	26%	0.262	S	S	*	.	H	α-helix	trans	-59.8	-34.1	178.7	-66.2	-172.2	-59.8	-119.3	6.1	112.3	E101 G125 G126 V127	E101-R130 IonicContact OE2-NH1 2.66Å; E101-R130 IonicContact OE2-NH2 3.57Å; G125-R130 PolarHBondContact O-NH1 2.87Å; G126-R130 WeakPolarHBondContact O-CG 3.39Å; G126-R130 PolarHBondContact O-N 3.19Å; V127-R130 PolarHBondContact O-N 3.44Å
131	H	92.7	Very high	94.8	Very high	93 Å²	93	50.5 Å²	50.5	43%	0.431	26%	0.26	S	S	.	.	H	α-helix	trans	-73.7	-31.6	175	-174.9	-89.2	0	0	0	112.8	E95 L96 V127 E129 G133	E95-H131 PolarHBondContact O-NE2 3.44Å; L96-H131 HydrophobicContact CD2-CB 3.44Å; L96-H131 VanDerWaalsContact CD2-CB 3.44Å; L96-H131 WeakPolarHBondContact CD2-ND1 3.34Å; V127-H131 WeakPolarHBondContact O-CB 3.38Å; V127-H131 PolarHBondContact O-N 3.49Å; E129-H131 PolarHBondContact O-N 3.18Å; H131-G133 PolarHBondContact ND1-N 3.12Å; H131-G133 PolarHBondContact O-N 3.48Å; H131-G133 VanDerWaalsContact O-N 3.1Å
132	G	90.3	Very high	94.9	Very high	52 Å²	52	44.2 Å²	44.2	54%	0.536	24%	0.239	S	C	.	.			trans	70.6	1.5	177.6	0	0	0	0	0	115.9	A128 E129	A128-G132 PolarHBondContact O-N 3.12Å; A128-G132 VanDerWaalsContact O-N 3.12Å; E129-G132 PolarHBondContact O-N 3.31Å
133	G	88.3	Confident	94.9	Very high	18 Å²	18	42.8 Å²	42.8	19%	0.186	23%	0.231	C	C	.	.			trans	-83.2	-20.6	-176.2	0	0	0	0	0	114.7	R92 V94 H131	R92-G133 PolarHBondContact NE-O 3.15Å; R92-G133 PolarHBondContact NH2-O 2.97Å; V94-G133 WeakPolarHBondContact CG2-O 3.19Å; H131-G133 PolarHBondContact ND1-N 3.12Å; H131-G133 PolarHBondContact O-N 3.48Å; H131-G133 VanDerWaalsContact O-N 3.1Å
134	L	94.1	Very high	94.9	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	24%	0.235	C	C	.	.			trans	-110.4	150.1	178.9	-65.3	-178.7	0	0	0	111.2	V94 L96 F105 I119 I122 A128 L169 V171	V94-L134 HydrophobicContact CB-CD2 3.99Å; V94-L134 HydrophobicContact CG1-CD2 4Å; V94-L134 HydrophobicContact CG1-CG 4.06Å; V94-L134 HydrophobicContact CG2-CD2 3.95Å; L96-L134 HydrophobicContact CD1-CD1 3.4Å; L96-L134 VanDerWaalsContact CD1-CD1 3.4Å; L96-L134 HydrophobicContact CD1-CG 4.2Å; L96-L134 HydrophobicContact CG-CD1 4.44Å; F105-L134 HydrophobicContact CD1-CD1 3.69Å; F105-L134 HydrophobicContact CE1-CD1 3.73Å; F105-L134 HydrophobicContact CG-CD1 4.27Å; F105-L134 HydrophobicContact CZ-CD1 4.37Å; I119-L134 HydrophobicContact CD1-CB 4.1Å; I119-L134 HydrophobicContact CD1-CD1 3.69Å; I119-L134 HydrophobicContact CD1-CD2 3.75Å; I119-L134 HydrophobicContact CD1-CG 4.06Å; I122-L134 HydrophobicContact CD1-CB 3.85Å; A128-L134 HydrophobicContact CB-CB 4.49Å; A128-L134 HydrophobicContact CB-CD1 4.17Å; L134-L169 HydrophobicContact CD1-CD1 3.84Å; L134-L169 HydrophobicContact CD2-CD1 4.26Å; L134-V171 HydrophobicContact CD2-CG1 4.02Å; L134-V171 HydrophobicContact CD2-CG2 4.06Å
135	K	92.8	Very high	94.7	Very high	86 Å²	86	41.8 Å²	41.8	37%	0.374	24%	0.237	S	C	.	.			trans	-135.8	150.8	177.4	-61.5	-176.6	179.9	179.9	0	109.9	H88 G137 D138 Y173	H88-K135 PolarHBondContact NE2-NZ 2.99Å; K135-G137 PolarHBondContact O-N 3.14Å; K135-D138 PolarHBondContact N-OD2 2.84Å; K135-D138 WeakPolarHBondContact O-CB 3.36Å; K135-D138 PolarHBondContact O-N 2.68Å; K135-Y173 HydrophobicContact CB-CD2 4.22Å; K135-Y173 HydrophobicContact CB-CE2 3.96Å; K135-Y173 HydrophobicContact CD-CE2 4.32Å
136	R	95.4	Very high	94.9	Very high	120 Å²	120	43.1 Å²	43.1	45%	0.453	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133	164.5	172.4	-177.7	169.5	108.4	-3.8	108.5	S120 Y173 L178 E182	S120-R136 WeakPolarHBondContact O-CG 3.48Å; S120-R136 PolarHBondContact O-NH1 2.9Å; R136-Y173 WeakPolarHBondContact O-CE2 3.48Å; R136-L178 HydrophobicContact CG-CD2 3.95Å; R136-E182 IonicContact CZ-OE1 2.57Å; R136-E182 IonicContact CZ-OE2 2.68Å; R136-E182 IonicContact NH1-OE1 3.84Å; R136-E182 IonicContact NH2-OE1 3.19Å; R136-E182 PolarHBondContact NH2-OE1 3.17Å; R136-E182 IonicContact NH2-OE2 3.77Å; R136-E182 PolarHBondContact NH2-OE2 3.25Å
137	G	94.5	Very high	94.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.01	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	97	-2.1	-175.7	0	0	0	0	0	114.5	I119 K135 Q139 T174	I119-G137 PolarHBondContact O-N 3.41Å; K135-G137 PolarHBondContact O-N 3.14Å; G137-Q139 PolarHBondContact O-N 3.45Å; G137-T174 CarbonylContact O-C 3.54Å; G137-T174 PolarHBondContact O-N 3.08Å
138	D	95.8	Very high	95	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.8	166.7	-78.4	-36.2	0	0	0	111	R92 Y118 I119 K135 V171 R172 Y173	R92-D138 IonicContact CZ-OD1 2.7Å; R92-D138 IonicContact CZ-OD2 3.39Å; R92-D138 IonicContact NH1-OD1 2.81Å; R92-D138 PolarHBondContact NH1-OD1 3.23Å; R92-D138 IonicContact NH1-OD2 3.81Å; R92-D138 VanDerWaalsContact NH2-CG 3.27Å; R92-D138 IonicContact NH2-OD1 3.45Å; R92-D138 PolarHBondContact NH2-OD1 3.49Å; R92-D138 VanDerWaalsContact NH2-OD1 3.14Å; R92-D138 IonicContact NH2-OD2 3.91Å; R92-D138 PolarHBondContact NH2-OD2 3Å; Y118-D138 CarbonylContact C-O 3.52Å; Y118-D138 WeakPolarHBondContact CA-O 3.21Å; Y118-D138 WeakPolarHBondContact CD1-O 2.96Å; I119-D138 HydrophobicContact CB-CB 4.26Å; I119-D138 HydrophobicContact CD1-CB 3.93Å; I119-D138 HydrophobicContact CG1-CB 4.11Å; I119-D138 PolarHBondContact N-O 3.07Å; K135-D138 PolarHBondContact N-OD2 2.84Å; K135-D138 WeakPolarHBondContact O-CB 3.36Å; K135-D138 PolarHBondContact O-N 2.68Å; D138-V171 HydrophobicContact CB-CB 4.11Å; D138-V171 HydrophobicContact CB-CG1 4.46Å; D138-R172 CarbonylContact C-O 3.37Å; D138-R172 WeakPolarHBondContact CA-O 3.44Å; D138-Y173 WeakPolarHBondContact OD1-CA 3.2Å; D138-Y173 WeakPolarHBondContact OD1-CB 3.5Å
139	Q	96.2	Very high	94.9	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.065	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.9	162.2	-172.6	-170.9	-10.6	0	0	108.9	P116 I117 Y118 G137 L141 V171 R172	P116-Q139 HydrophobicContact CB-CG 4.06Å; I117-Q139 WeakPolarHBondContact O-CA 3.33Å; Y118-Q139 HydrophobicContact CD1-CB 4.15Å; Y118-Q139 HydrophobicContact CE1-CB 3.68Å; Y118-Q139 HydrophobicContact CE1-CG 4.41Å; Y118-Q139 HydrophobicContact CE2-CB 4.38Å; Y118-Q139 HydrophobicContact CE2-CG 4.23Å; G137-Q139 PolarHBondContact O-N 3.45Å; Q139-L141 HydrophobicContact CG-CD2 3.95Å; Q139-V171 CarbonylContact O-C 3.41Å; Q139-V171 WeakPolarHBondContact O-CA 3.49Å; Q139-R172 PolarHBondContact N-O 3.14Å; Q139-R172 PolarHBondContact O-N 3.17Å
140	L	97.8	Very high	94.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.6	172	-174.4	62.7	0	0	0	109.6	I117 V143 V148 A156 L160 L169 V171	I117-L140 HydrophobicContact CB-CB 4.45Å; I117-L140 HydrophobicContact CG2-CB 4.06Å; I117-L140 HydrophobicContact CG2-CD2 4.12Å; I117-L140 PolarHBondContact O-N 3.17Å; L140-V143 HydrophobicContact CD1-CG2 4.16Å; L140-V143 HydrophobicContact CD2-CG2 3.78Å; L140-V143 HydrophobicContact CG-CG2 4.24Å; L140-V148 HydrophobicContact CB-CG2 4.29Å; L140-V148 HydrophobicContact CD2-CG2 4.07Å; L140-V148 HydrophobicContact CG-CG2 3.75Å; L140-V148 WeakPolarHBondContact O-CG2 3.34Å; L140-A156 HydrophobicContact CD2-CB 4.4Å; L140-L160 HydrophobicContact CD2-CD1 4.45Å; L140-L169 HydrophobicContact CD1-CB 4.15Å; L140-L169 HydrophobicContact CD1-CD2 3.95Å; L140-L169 HydrophobicContact CD1-CG 4.47Å; L140-V171 HydrophobicContact CD1-CG1 3.98Å
141	L	96.6	Very high	95.1	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-41.7	-178.7	-54.5	178.6	0	0	0	111.2	P91 Q139 S147 V148 E149 V170 R172	P91-L141 HydrophobicContact CB-CD1 3.84Å; P91-L141 HydrophobicContact CG-CD1 3.84Å; Q139-L141 HydrophobicContact CG-CD2 3.95Å; L141-S147 WeakPolarHBondContact O-CA 3.37Å; L141-S147 PolarHBondContact O-OG 2.87Å; L141-V148 PolarHBondContact O-N 3.4Å; L141-E149 HydrophobicContact CB-CG 4.41Å; L141-E149 HydrophobicContact CD2-CG 4.01Å; L141-V170 WeakPolarHBondContact CA-O 3.48Å; L141-V170 HydrophobicContact CB-CB 4.33Å; L141-V170 HydrophobicContact CB-CG1 4.24Å; L141-V170 WeakPolarHBondContact CB-O 3.4Å; L141-V170 HydrophobicContact CD1-CG1 4.11Å; L141-V170 PolarHBondContact N-O 3.37Å; L141-R172 HydrophobicContact CD1-CB 3.97Å
142	S	97.8	Very high	95.3	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.119	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.4	176.3	74.3	0	0	0	0	113.4	V146 L169 V170	S142-V146 CarbonylContact C-O 3.5Å; S142-V146 WeakPolarHBondContact CA-O 3.32Å; S142-V146 WeakPolarHBondContact CB-O 3.42Å; S142-L169 WeakPolarHBondContact O-CA 3.32Å; S142-V170 PolarHBondContact N-O 2.95Å; S142-V170 PolarHBondContact O-N 3.29Å; S142-V170 VanDerWaalsContact OG-CB 3.25Å; S142-V170 WeakPolarHBondContact OG-CB 3.43Å; S142-V170 WeakPolarHBondContact OG-CG2 3.4Å
143	V	98	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.5	175.6	-176.2	0	0	0	0	108.3	L140 G145 V146 V148 L159 L160 V167 L169	L140-V143 HydrophobicContact CD1-CG2 4.16Å; L140-V143 HydrophobicContact CD2-CG2 3.78Å; L140-V143 HydrophobicContact CG-CG2 4.24Å; V143-G145 PolarHBondContact O-N 3.14Å; V143-G145 VanDerWaalsContact O-N 3.16Å; V143-V146 PolarHBondContact N-O 3.24Å; V143-V146 WeakPolarHBondContact O-CB 3.49Å; V143-V146 PolarHBondContact O-N 3.39Å; V143-V148 HydrophobicContact CG2-CG1 4.18Å; V143-L159 HydrophobicContact CB-CB 3.9Å; V143-L159 HydrophobicContact CB-CD1 4.35Å; V143-L159 HydrophobicContact CG1-CB 3.82Å; V143-L159 HydrophobicContact CG2-CB 4.39Å; V143-L160 HydrophobicContact CG1-CD2 3.93Å; V143-L160 HydrophobicContact CG1-CG 4.4Å; V143-L160 HydrophobicContact CG2-CD2 3.94Å; V143-L160 HydrophobicContact CG2-CG 4.22Å; V143-V167 HydrophobicContact CG1-CG2 3.61Å; V143-L169 HydrophobicContact CB-CD2 4.4Å; V143-L169 HydrophobicContact CG1-CD2 4.15Å; V143-L169 HydrophobicContact CG2-CD2 3.98Å
144	N	96.2	Very high	96.1	Very high	82 Å²	82	50.2 Å²	50.2	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	38.3	-178.6	-67.6	-15.5	0	0	0	113.3	V146 V167 K168	N144-V146 VanDerWaalsContact C-N 3.29Å; N144-V146 PolarHBondContact O-N 3.32Å; N144-V167 WeakPolarHBondContact OD1-CA 3.43Å; N144-K168 PolarHBondContact N-O 3.11Å; N144-K168 PolarHBondContact OD1-N 3.33Å
145	G	93.2	Very high	96.2	Very high	68 Å²	68	54.1 Å²	54.1	70%	0.701	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-5	-179.6	0	0	0	0	0	115.1	V143	V143-G145 PolarHBondContact O-N 3.14Å; V143-G145 VanDerWaalsContact O-N 3.16Å
146	V	96.6	Very high	96.4	Very high	69 Å²	69	50 Å²	50	42%	0.418	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.4	174.3	-177.3	0	0	0	0	109.3	S142 V143 N144 L159	S142-V146 CarbonylContact C-O 3.5Å; S142-V146 WeakPolarHBondContact CA-O 3.32Å; S142-V146 WeakPolarHBondContact CB-O 3.42Å; V143-V146 PolarHBondContact N-O 3.24Å; V143-V146 WeakPolarHBondContact O-CB 3.49Å; V143-V146 PolarHBondContact O-N 3.39Å; N144-V146 VanDerWaalsContact C-N 3.29Å; N144-V146 PolarHBondContact O-N 3.32Å; V146-L159 HydrophobicContact CB-CD1 4.08Å; V146-L159 HydrophobicContact CB-CD2 4.28Å; V146-L159 HydrophobicContact CG1-CD1 3.85Å; V146-L159 HydrophobicContact CG1-CD2 4.32Å; V146-L159 HydrophobicContact CG2-CD2 4.36Å
147	S	96.5	Very high	96.5	Very high	61 Å²	61	46 Å²	46	43%	0.427	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	141.1	176.2	-174.1	0	0	0	0	111.2	L141 E149	L141-S147 WeakPolarHBondContact O-CA 3.37Å; L141-S147 PolarHBondContact O-OG 2.87Å; S147-E149 PolarHBondContact OG-N 3.29Å
148	V	97.6	Very high	96.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	29%	0.288	C	S	.	.			trans	-117.8	9.8	172.4	-59.1	0	0	0	0	111.9	I117 L140 L141 V143 G150 E151 A156 L159	I117-V148 HydrophobicContact CD1-CB 4.03Å; I117-V148 HydrophobicContact CD1-CG2 4.23Å; L140-V148 HydrophobicContact CB-CG2 4.29Å; L140-V148 HydrophobicContact CD2-CG2 4.07Å; L140-V148 HydrophobicContact CG-CG2 3.75Å; L140-V148 WeakPolarHBondContact O-CG2 3.34Å; L141-V148 PolarHBondContact O-N 3.4Å; V143-V148 HydrophobicContact CG2-CG1 4.18Å; V148-G150 PolarHBondContact O-N 2.96Å; V148-E151 WeakPolarHBondContact O-CB 3.43Å; V148-E151 PolarHBondContact O-N 3.26Å; V148-A156 HydrophobicContact CB-CB 4.31Å; V148-A156 HydrophobicContact CG1-CB 4.07Å; V148-L159 HydrophobicContact CG1-CD1 3.65Å
149	E	95.1	Very high	96.6	Very high	103 Å²	103	52.6 Å²	52.6	48%	0.481	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	124.2	176.8	-67.2	-171.7	93.2	0	0	110.7	L141 S147 E151	L141-E149 HydrophobicContact CB-CG 4.41Å; L141-E149 HydrophobicContact CD2-CG 4.01Å; S147-E149 PolarHBondContact OG-N 3.29Å; E149-E151 PolarHBondContact O-N 3.34Å
150	G	93.3	Very high	96.7	Very high	52 Å²	52	52.7 Å²	52.7	54%	0.536	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	8.7	-177.9	0	0	0	0	0	114.4	K111 V148	K111-G150 VanDerWaalsContact CD-O 3.31Å; K111-G150 WeakPolarHBondContact CD-O 3.22Å; V148-G150 PolarHBondContact O-N 2.96Å
151	E	97.7	Very high	96.5	Very high	82 Å²	82	59.9 Å²	59.9	38%	0.383	33%	0.328	S	S	.	.			trans	-88.1	163.4	177	-70.2	-61.3	154.6	0	0	112.7	K111 V148 E149 K155	K111-E151 WeakPolarHBondContact CB-O 3.38Å; K111-E151 PolarHBondContact N-O 2.83Å; V148-E151 WeakPolarHBondContact O-CB 3.43Å; V148-E151 PolarHBondContact O-N 3.26Å; E149-E151 PolarHBondContact O-N 3.34Å; E151-K155 HydrophobicContact CB-CB 4.31Å; E151-K155 HydrophobicContact CB-CG 4.38Å; E151-K155 HydrophobicContact CG-CG 4.47Å
152	H	97.6	Very high	96.3	Very high	82 Å²	82	62.8 Å²	62.8	38%	0.38	35%	0.354	S	S	.	.			trans	-68.2	151.6	173.2	-76.1	-83.6	0	0	0	111.8	E112 E154 K155	E112-H152 IonicContact OE2-CG 2.75Å; E112-H152 IonicContact OE2-ND1 3.14Å; E112-H152 PolarHBondContact OE2-ND1 2.9Å; H152-E154 PolarHBondContact O-N 3.08Å; H152-K155 WeakPolarHBondContact O-CB 3.44Å; H152-K155 PolarHBondContact O-N 3.34Å; H152-K155 VanDerWaalsContact O-N 3.14Å
153	H	97.3	Very high	96	Very high	51 Å²	51	62.4 Å²	62.4	24%	0.236	35%	0.351	C	S	.	.	H	α-helix	trans	-50.9	-46.2	175.8	-176.3	83.8	0	0	0	112.5	G109 E112 K155 A156 V157	G109-H153 WeakPolarHBondContact O-CB 3.48Å; G109-H153 PolarHBondContact O-ND1 2.9Å; E112-H153 WeakPolarHBondContact OE1-CB 3.44Å; E112-H153 PolarHBondContact OE2-N 3.05Å; H153-K155 VanDerWaalsContact C-N 3.28Å; H153-K155 PolarHBondContact O-N 2.81Å; H153-A156 PolarHBondContact O-N 3.48Å; H153-V157 WeakPolarHBondContact O-CG2 3.34Å; H153-V157 PolarHBondContact O-N 3.11Å
154	E	97.4	Very high	95.4	Very high	145 Å²	145	70.7 Å²	70.7	68%	0.678	39%	0.387	S	S	*	.	H	α-helix	trans	-58.7	-39.9	-177.3	-66.8	177.2	174.8	0	0	111.9	H152 A156 V157 E158	H152-E154 PolarHBondContact O-N 3.08Å; E154-A156 VanDerWaalsContact C-N 3.35Å; E154-A156 PolarHBondContact O-N 3.22Å; E154-V157 PolarHBondContact O-N 3.01Å; E154-V157 VanDerWaalsContact O-N 3.14Å; E154-E158 WeakPolarHBondContact O-CG 3.47Å; E154-E158 PolarHBondContact O-N 3.4Å
155	K	96.9	Very high	95.1	Very high	88 Å²	88	73.3 Å²	73.3	38%	0.383	40%	0.401	S	S	.	.	H	α-helix	trans	-61	-43.3	-180	-175.8	59.3	175.6	-178.5	0	112.3	E151 H152 H153 E158 L159	E151-K155 HydrophobicContact CB-CB 4.31Å; E151-K155 HydrophobicContact CB-CG 4.38Å; E151-K155 HydrophobicContact CG-CG 4.47Å; H152-K155 WeakPolarHBondContact O-CB 3.44Å; H152-K155 PolarHBondContact O-N 3.34Å; H152-K155 VanDerWaalsContact O-N 3.14Å; H153-K155 VanDerWaalsContact C-N 3.28Å; H153-K155 PolarHBondContact O-N 2.81Å; K155-E158 PolarHBondContact O-N 2.98Å; K155-L159 HydrophobicContact CG-CD1 4.45Å; K155-L159 WeakPolarHBondContact O-CG 3.37Å; K155-L159 PolarHBondContact O-N 3.39Å; K155-L159 VanDerWaalsContact O-N 3.11Å
156	A	96.9	Very high	95.2	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-66.4	-40.7	176.5	0	0	0	0	0	111.6	I117 L140 V148 H153 E154 E158 L159 L160	I117-A156 HydrophobicContact CD1-CB 3.51Å; I117-A156 HydrophobicContact CG2-CB 4.31Å; L140-A156 HydrophobicContact CD2-CB 4.4Å; V148-A156 HydrophobicContact CB-CB 4.31Å; V148-A156 HydrophobicContact CG1-CB 4.07Å; H153-A156 PolarHBondContact O-N 3.48Å; E154-A156 VanDerWaalsContact C-N 3.35Å; E154-A156 PolarHBondContact O-N 3.22Å; A156-E158 VanDerWaalsContact C-N 3.35Å; A156-E158 PolarHBondContact O-N 2.85Å; A156-L159 PolarHBondContact O-N 3.46Å; A156-L160 VanDerWaalsContact O-CG 3.22Å; A156-L160 WeakPolarHBondContact O-CG 3.4Å; A156-L160 PolarHBondContact O-N 3.06Å
157	V	96.9	Very high	95.3	Very high	35 Å²	35	68.9 Å²	68.9	21%	0.212	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-42.3	176.5	174.6	0	0	0	0	111.4	V107 H153 E154 L160 K161	V107-V157 HydrophobicContact CG2-CG2 4.07Å; H153-V157 WeakPolarHBondContact O-CG2 3.34Å; H153-V157 PolarHBondContact O-N 3.11Å; E154-V157 PolarHBondContact O-N 3.01Å; E154-V157 VanDerWaalsContact O-N 3.14Å; V157-L160 PolarHBondContact O-N 3.28Å; V157-K161 HydrophobicContact CG1-CD 3.9Å; V157-K161 HydrophobicContact CG1-CG 4.35Å; V157-K161 WeakPolarHBondContact O-CB 3.21Å; V157-K161 VanDerWaalsContact O-CG 3.28Å; V157-K161 WeakPolarHBondContact O-CG 3.25Å; V157-K161 PolarHBondContact O-N 3.05Å
158	E	97.1	Very high	95.3	Very high	110 Å²	110	71 Å²	71	51%	0.514	36%	0.364	S	S	.	.	H	α-helix	trans	-58.4	-48.6	174.6	-75	175.5	178.1	0	0	111.8	E154 K155 A156 L160 K161 A162	E154-E158 WeakPolarHBondContact O-CG 3.47Å; E154-E158 PolarHBondContact O-N 3.4Å; K155-E158 PolarHBondContact O-N 2.98Å; A156-E158 VanDerWaalsContact C-N 3.35Å; A156-E158 PolarHBondContact O-N 2.85Å; E158-L160 PolarHBondContact O-N 2.92Å; E158-K161 CarbonylContact O-C 3.56Å; E158-K161 PolarHBondContact O-N 3.35Å; E158-A162 VanDerWaalsContact O-CB 3.31Å; E158-A162 WeakPolarHBondContact O-CB 3.39Å; E158-A162 PolarHBondContact O-N 3.35Å
159	L	97	Very high	95.3	Very high	31 Å²	31	70.9 Å²	70.9	16%	0.162	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-43	179.4	-69.6	168.6	0	0	0	112	V143 V146 V148 K155 A156 K161 A162 A163	V143-L159 HydrophobicContact CB-CB 3.9Å; V143-L159 HydrophobicContact CB-CD1 4.35Å; V143-L159 HydrophobicContact CG1-CB 3.82Å; V143-L159 HydrophobicContact CG2-CB 4.39Å; V146-L159 HydrophobicContact CB-CD1 4.08Å; V146-L159 HydrophobicContact CB-CD2 4.28Å; V146-L159 HydrophobicContact CG1-CD1 3.85Å; V146-L159 HydrophobicContact CG1-CD2 4.32Å; V146-L159 HydrophobicContact CG2-CD2 4.36Å; V148-L159 HydrophobicContact CG1-CD1 3.65Å; K155-L159 HydrophobicContact CG-CD1 4.45Å; K155-L159 WeakPolarHBondContact O-CG 3.37Å; K155-L159 PolarHBondContact O-N 3.39Å; K155-L159 VanDerWaalsContact O-N 3.11Å; A156-L159 PolarHBondContact O-N 3.46Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.41Å; L159-A162 PolarHBondContact O-N 3.35Å; L159-A163 PolarHBondContact O-N 2.93Å
160	L	96.3	Very high	95.4	Very high	15 Å²	15	67.8 Å²	67.8	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-37.2	176.2	-67.4	169.6	0	0	0	111.8	K98 L103 F105 V107 L140 V143 A156 V157 E158 V167 L169	K98-L160 PolarHBondContact NZ-O 3.11Å; L103-L160 HydrophobicContact CD1-CB 4.23Å; L103-L160 HydrophobicContact CD1-CD2 3.9Å; F105-L160 HydrophobicContact CE2-CD1 4.21Å; F105-L160 HydrophobicContact CZ-CD1 4.28Å; F105-L160 HydrophobicContact CZ-CD2 4.02Å; V107-L160 HydrophobicContact CG1-CD1 4.26Å; L140-L160 HydrophobicContact CD2-CD1 4.45Å; V143-L160 HydrophobicContact CG1-CD2 3.93Å; V143-L160 HydrophobicContact CG1-CG 4.4Å; V143-L160 HydrophobicContact CG2-CD2 3.94Å; V143-L160 HydrophobicContact CG2-CG 4.22Å; A156-L160 VanDerWaalsContact O-CG 3.22Å; A156-L160 WeakPolarHBondContact O-CG 3.4Å; A156-L160 PolarHBondContact O-N 3.06Å; V157-L160 PolarHBondContact O-N 3.28Å; E158-L160 PolarHBondContact O-N 2.92Å; L160-V167 HydrophobicContact CD2-CG2 4.16Å; L160-L169 HydrophobicContact CD2-CD2 3.65Å
161	K	93.9	Very high	95.5	Very high	152 Å²	152	65.3 Å²	65.3	66%	0.661	33%	0.326	S	S	*	.	H	α-helix	trans	-73.8	-31.9	176.5	-76.3	179	179.5	178.1	0	113	K98 V157 E158 L159 A163	K98-K161 VanDerWaalsContact NZ-C 3.27Å; K98-K161 PolarHBondContact NZ-O 3Å; V157-K161 HydrophobicContact CG1-CD 3.9Å; V157-K161 HydrophobicContact CG1-CG 4.35Å; V157-K161 WeakPolarHBondContact O-CB 3.21Å; V157-K161 VanDerWaalsContact O-CG 3.28Å; V157-K161 WeakPolarHBondContact O-CG 3.25Å; V157-K161 PolarHBondContact O-N 3.05Å; E158-K161 CarbonylContact O-C 3.56Å; E158-K161 PolarHBondContact O-N 3.35Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.41Å; K161-A163 VanDerWaalsContact C-N 3.33Å; K161-A163 PolarHBondContact O-N 3.2Å
162	A	93.6	Very high	95.3	Very high	75 Å²	75	65 Å²	65	62%	0.62	32%	0.321	S	S	*	.	H	α-helix	trans	-73.2	-21.9	179.9	0	0	0	0	0	113.7	E158 L159	E158-A162 VanDerWaalsContact O-CB 3.31Å; E158-A162 WeakPolarHBondContact O-CB 3.39Å; E158-A162 PolarHBondContact O-N 3.35Å; L159-A162 PolarHBondContact O-N 3.35Å
163	A	91.1	Very high	95	Very high	8 Å²	8	64 Å²	64	7%	0.066	32%	0.315	C	S	.	.			trans	-57.3	141.6	172.3	0	0	0	0	0	110.9	K98 L159 K161 V167	K98-A163 HydrophobicContact CD-CB 4.22Å; K98-A163 WeakPolarHBondContact CD-O 3.49Å; K98-A163 WeakPolarHBondContact CE-O 3.22Å; K98-A163 PolarHBondContact NZ-O 2.85Å; L159-A163 PolarHBondContact O-N 2.93Å; K161-A163 VanDerWaalsContact C-N 3.33Å; K161-A163 PolarHBondContact O-N 3.2Å; A163-V167 HydrophobicContact CB-CB 3.98Å; A163-V167 HydrophobicContact CB-CG2 4.17Å
164	K	85.9	Confident	94.6	Very high	174 Å²	174	63 Å²	63	76%	0.757	31%	0.312	S	S	*	.	S	Bend	trans	-105.8	-68.4	179.7	-70.2	-173.9	178.8	-176.7	0	111.9	K98	K98-K164 WeakPolarHBondContact CB-O 3.35Å
165	D	90.4	Very high	94.2	Very high	137 Å²	137	57.6 Å²	57.6	73%	0.733	29%	0.29	S	S	*	.	S	Bend	trans	-94.2	-48.9	-171.2	-51.7	-50.4	0	0	0	112.2	K98	K98-D165 PolarHBondContact N-O 3.48Å
166	S	95	Very high	93.9	Very high	44 Å²	44	60.9 Å²	60.9	31%	0.308	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.5	174	72.2	0	0	0	0	111.2	E95 L96	E95-S166 PolarHBondContact OE1-OG 3.12Å; L96-S166 CarbonylContact O-C 3.56Å; L96-S166 VanDerWaalsContact O-CA 3.23Å; L96-S166 WeakPolarHBondContact O-CA 3.36Å; L96-S166 WeakPolarHBondContact O-CB 3.47Å
167	V	97	Very high	93.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.1	171	69.4	0	0	0	0	109.6	E95 L96 L103 V143 N144 L160 A163 L169	E95-V167 CarbonylContact C-O 3.58Å; E95-V167 VanDerWaalsContact CA-O 3.32Å; E95-V167 WeakPolarHBondContact CA-O 3.43Å; L96-V167 HydrophobicContact CB-CG1 3.97Å; L96-V167 PolarHBondContact N-O 2.98Å; L96-V167 PolarHBondContact O-N 3.31Å; L103-V167 HydrophobicContact CD1-CG1 3.89Å; L103-V167 HydrophobicContact CD2-CB 4.47Å; L103-V167 HydrophobicContact CD2-CG1 3.52Å; L103-V167 HydrophobicContact CG-CG1 4.36Å; V143-V167 HydrophobicContact CG1-CG2 3.61Å; N144-V167 WeakPolarHBondContact OD1-CA 3.43Å; L160-V167 HydrophobicContact CD2-CG2 4.16Å; A163-V167 HydrophobicContact CB-CB 3.98Å; A163-V167 HydrophobicContact CB-CG2 4.17Å; V167-L169 HydrophobicContact CG1-CD1 4.48Å; V167-L169 HydrophobicContact CG1-CD2 4.27Å; V167-L169 HydrophobicContact CG1-CG 4.25Å; V167-L169 HydrophobicContact CG2-CD2 3.59Å; V167-L169 HydrophobicContact CG2-CG 4.29Å
168	K	97.6	Very high	93.3	Very high	105 Å²	105	62.2 Å²	62.2	46%	0.457	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.6	174.6	-171.4	179.5	-174	176	0	109	V93 N144	V93-K168 HydrophobicContact CG1-CD 4.17Å; V93-K168 HydrophobicContact CG1-CG 3.68Å; N144-K168 PolarHBondContact N-O 3.11Å; N144-K168 PolarHBondContact OD1-N 3.33Å
169	L	98	Very high	93.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.8	-179.2	-52.9	176	0	0	0	109.5	V93 V94 L96 F105 L134 L140 S142 V143 L160 V167 V171	V93-L169 CarbonylContact C-O 3.55Å; V93-L169 VanDerWaalsContact CA-O 3.3Å; V93-L169 WeakPolarHBondContact CA-O 3.5Å; V94-L169 PolarHBondContact N-O 3.2Å; V94-L169 PolarHBondContact O-N 3.46Å; L96-L169 HydrophobicContact CD1-CD1 4.33Å; F105-L169 HydrophobicContact CE1-CD1 4.13Å; F105-L169 HydrophobicContact CZ-CD1 3.96Å; L134-L169 HydrophobicContact CD1-CD1 3.84Å; L134-L169 HydrophobicContact CD2-CD1 4.26Å; L140-L169 HydrophobicContact CD1-CB 4.15Å; L140-L169 HydrophobicContact CD1-CD2 3.95Å; L140-L169 HydrophobicContact CD1-CG 4.47Å; S142-L169 WeakPolarHBondContact O-CA 3.32Å; V143-L169 HydrophobicContact CB-CD2 4.4Å; V143-L169 HydrophobicContact CG1-CD2 4.15Å; V143-L169 HydrophobicContact CG2-CD2 3.98Å; L160-L169 HydrophobicContact CD2-CD2 3.65Å; V167-L169 HydrophobicContact CG1-CD1 4.48Å; V167-L169 HydrophobicContact CG1-CD2 4.27Å; V167-L169 HydrophobicContact CG1-CG 4.25Å; V167-L169 HydrophobicContact CG2-CD2 3.59Å; V167-L169 HydrophobicContact CG2-CG 4.29Å; L169-V171 HydrophobicContact CB-CG1 4.15Å
170	V	96.7	Very high	92.8	Very high	37 Å²	37	67.5 Å²	67.5	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.6	161.5	-175.9	0	0	0	0	107.5	P91 R92 V93 L141 S142	P91-V170 HydrophobicContact CB-CG1 3.93Å; R92-V170 WeakPolarHBondContact O-CA 3.35Å; V93-V170 HydrophobicContact CG2-CG2 4.29Å; L141-V170 WeakPolarHBondContact CA-O 3.48Å; L141-V170 HydrophobicContact CB-CB 4.33Å; L141-V170 HydrophobicContact CB-CG1 4.24Å; L141-V170 WeakPolarHBondContact CB-O 3.4Å; L141-V170 HydrophobicContact CD1-CG1 4.11Å; L141-V170 PolarHBondContact N-O 3.37Å; S142-V170 PolarHBondContact N-O 2.95Å; S142-V170 PolarHBondContact O-N 3.29Å; S142-V170 VanDerWaalsContact OG-CB 3.25Å; S142-V170 WeakPolarHBondContact OG-CB 3.43Å; S142-V170 WeakPolarHBondContact OG-CG2 3.4Å
171	V	95.6	Very high	92.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.3	-174.6	-63.7	0	0	0	0	111.7	P91 R92 V94 L134 D138 Q139 L140 L169	P91-V171 CarbonylContact C-O 3.53Å; P91-V171 WeakPolarHBondContact CA-O 3.47Å; R92-V171 HydrophobicContact CG-CG2 3.75Å; R92-V171 PolarHBondContact N-O 3.25Å; R92-V171 PolarHBondContact O-N 2.57Å; V94-V171 HydrophobicContact CG2-CG2 3.91Å; L134-V171 HydrophobicContact CD2-CG1 4.02Å; L134-V171 HydrophobicContact CD2-CG2 4.06Å; D138-V171 HydrophobicContact CB-CB 4.11Å; D138-V171 HydrophobicContact CB-CG1 4.46Å; Q139-V171 CarbonylContact O-C 3.41Å; Q139-V171 WeakPolarHBondContact O-CA 3.49Å; L140-V171 HydrophobicContact CD1-CG1 3.98Å; L169-V171 HydrophobicContact CB-CG1 4.15Å
172	R	93	Very high	92.5	Very high	75 Å²	75	62.7 Å²	62.7	28%	0.283	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.8	174.5	175.1	173.7	60.4	-161.1	-3.3	109.2	S89 D138 Q139 L141 T174	S89-R172 WeakPolarHBondContact O-CD 3.33Å; S89-R172 WeakPolarHBondContact O-CG 3.49Å; D138-R172 CarbonylContact C-O 3.37Å; D138-R172 WeakPolarHBondContact CA-O 3.44Å; Q139-R172 PolarHBondContact N-O 3.14Å; Q139-R172 PolarHBondContact O-N 3.17Å; L141-R172 HydrophobicContact CD1-CB 3.97Å; R172-T174 HydrophobicContact CG-CG2 4.21Å; R172-T174 PolarHBondContact O-N 2.93Å
173	Y	91.5	Very high	92.5	Very high	62 Å²	62	61.4 Å²	61.4	24%	0.243	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.3	-177.6	-174.5	-114.5	0	0	0	110.5	H88 K135 R136 D138 P175	H88-Y173 HydrophobicContact CB-CD1 3.62Å; H88-Y173 HydrophobicContact CB-CG 3.68Å; H88-Y173 AromaticContact CD2-CD1 3.87Å; H88-Y173 WeakPolarHBondContact O-CB 3.34Å; H88-Y173 PolarHBondContact O-N 3.5Å; K135-Y173 HydrophobicContact CB-CD2 4.22Å; K135-Y173 HydrophobicContact CB-CE2 3.96Å; K135-Y173 HydrophobicContact CD-CE2 4.32Å; R136-Y173 WeakPolarHBondContact O-CE2 3.48Å; D138-Y173 WeakPolarHBondContact OD1-CA 3.2Å; D138-Y173 WeakPolarHBondContact OD1-CB 3.5Å; Y173-P175 VanDerWaalsContact CD1-CD 3.49Å; Y173-P175 HydrophobicContact CD1-CG 4.02Å; Y173-P175 HydrophobicContact CE1-CB 4.34Å; Y173-P175 HydrophobicContact CE1-CG 3.46Å; Y173-P175 VanDerWaalsContact CE1-CG 3.46Å; Y173-P175 HydrophobicContact CE2-CB 4.12Å; Y173-P175 HydrophobicContact CE2-CG 4.1Å; Y173-P175 VanDerWaalsContact CZ-CG 3.49Å
174	T	89.7	Confident	92.6	Very high	30 Å²	30	66.7 Å²	66.7	18%	0.184	32%	0.323	C	S	.	.			trans	-140.1	62.6	179.4	41.7	0	0	0	0	109.8	Y118 G137 R172 K176 V177 L178	Y118-T174 WeakPolarHBondContact CE1-OG1 3.16Å; Y118-T174 PolarHBondContact OH-OG1 2.95Å; G137-T174 CarbonylContact O-C 3.54Å; G137-T174 PolarHBondContact O-N 3.08Å; R172-T174 HydrophobicContact CG-CG2 4.21Å; R172-T174 PolarHBondContact O-N 2.93Å; T174-K176 VanDerWaalsContact C-N 3.32Å; T174-K176 PolarHBondContact O-N 2.99Å; T174-V177 WeakPolarHBondContact O-CB 3.34Å; T174-V177 PolarHBondContact O-N 2.93Å; T174-V177 VanDerWaalsContact O-N 3.11Å; T174-L178 PolarHBondContact O-N 3.46Å
175	P	89	Confident	92.8	Very high	31 Å²	31	59.2 Å²	59.2	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-36.2	-171.3	28.1	-39	0	0	0	113	Y173 V177 L178 E179	Y173-P175 VanDerWaalsContact CD1-CD 3.49Å; Y173-P175 HydrophobicContact CD1-CG 4.02Å; Y173-P175 HydrophobicContact CE1-CB 4.34Å; Y173-P175 HydrophobicContact CE1-CG 3.46Å; Y173-P175 VanDerWaalsContact CE1-CG 3.46Å; Y173-P175 HydrophobicContact CE2-CB 4.12Å; Y173-P175 HydrophobicContact CE2-CG 4.1Å; Y173-P175 VanDerWaalsContact CZ-CG 3.49Å; P175-V177 VanDerWaalsContact C-N 3.27Å; P175-V177 PolarHBondContact O-N 3.32Å; P175-L178 WeakPolarHBondContact O-CB 3.48Å; P175-L178 PolarHBondContact O-N 3.21Å; P175-L178 VanDerWaalsContact O-N 3.12Å; P175-E179 WeakPolarHBondContact O-CG 3.37Å; P175-E179 PolarHBondContact O-N 3.38Å
176	K	89.3	Confident	92.9	Very high	157 Å²	157	57 Å²	57	68%	0.683	28%	0.276	S	S	*	.	H	α-helix	trans	-59.4	-38.9	177.1	-66.5	-174.3	177.2	-178.7	0	112.1	T174 E179 E180	T174-K176 VanDerWaalsContact C-N 3.32Å; T174-K176 PolarHBondContact O-N 2.99Å; K176-E179 PolarHBondContact O-N 3.41Å; K176-E180 WeakPolarHBondContact O-CG 3.45Å; K176-E180 PolarHBondContact O-N 3.3Å
177	V	89.8	Confident	92.8	Very high	61 Å²	61	62.2 Å²	62.2	37%	0.37	29%	0.293	S	S	.	.	H	α-helix	trans	-68.3	-39	178	-176.9	0	0	0	0	110.5	Y118 T174 P175 M181	Y118-V177 HydrophobicContact CE2-CG1 4.34Å; Y118-V177 WeakPolarHBondContact OH-CB 3.25Å; Y118-V177 VanDerWaalsContact OH-CG1 3.25Å; Y118-V177 WeakPolarHBondContact OH-CG1 3.09Å; T174-V177 WeakPolarHBondContact O-CB 3.34Å; T174-V177 PolarHBondContact O-N 2.93Å; T174-V177 VanDerWaalsContact O-N 3.11Å; P175-V177 VanDerWaalsContact C-N 3.27Å; P175-V177 PolarHBondContact O-N 3.32Å; V177-M181 VanDerWaalsContact O-CB 3.25Å; V177-M181 WeakPolarHBondContact O-CB 3.47Å; V177-M181 PolarHBondContact O-N 3.19Å
178	L	92.9	Very high	92.5	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-46.4	173.5	-179.8	61.5	0	0	0	111.5	M108 Y118 R136 T174 P175 M181 E182	M108-L178 HydrophobicContact CG-CD1 4.19Å; M108-L178 HydrophobicContact SD-CD1 3.65Å; Y118-L178 HydrophobicContact CD1-CB 4.02Å; Y118-L178 HydrophobicContact CD1-CD1 4.26Å; Y118-L178 HydrophobicContact CE1-CB 4.27Å; Y118-L178 HydrophobicContact CG-CD1 3.98Å; R136-L178 HydrophobicContact CG-CD2 3.95Å; T174-L178 PolarHBondContact O-N 3.46Å; P175-L178 WeakPolarHBondContact O-CB 3.48Å; P175-L178 PolarHBondContact O-N 3.21Å; P175-L178 VanDerWaalsContact O-N 3.12Å; L178-M181 HydrophobicContact CD1-CE 3.98Å; L178-M181 WeakPolarHBondContact O-CB 3.25Å; L178-M181 PolarHBondContact O-N 3.42Å; L178-E182 HydrophobicContact CD1-CG 4.28Å; L178-E182 HydrophobicContact CG-CG 4.46Å; L178-E182 WeakPolarHBondContact O-CG 3.39Å; L178-E182 PolarHBondContact O-N 2.9Å
179	E	91.8	Very high	92.1	Very high	119 Å²	119	69.3 Å²	69.3	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-60.1	-46.1	178.6	-72.1	169.7	-170.1	0	0	111.9	P175 K176 M181 E182 A183	P175-E179 WeakPolarHBondContact O-CG 3.37Å; P175-E179 PolarHBondContact O-N 3.38Å; K176-E179 PolarHBondContact O-N 3.41Å; E179-M181 VanDerWaalsContact C-N 3.29Å; E179-M181 PolarHBondContact O-N 3Å; E179-E182 PolarHBondContact O-N 3.18Å; E179-A183 WeakPolarHBondContact O-CB 3.43Å; E179-A183 PolarHBondContact O-N 3.5Å
180	E	91.1	Very high	91.9	Very high	134 Å²	134	71.8 Å²	71.8	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-59.9	-40.9	174.9	-73.6	171.6	-169.6	0	0	111.8	K176 A183 R184	K176-E180 WeakPolarHBondContact O-CG 3.45Å; K176-E180 PolarHBondContact O-N 3.3Å; E180-A183 PolarHBondContact O-N 3.26Å; E180-R184 WeakPolarHBondContact O-CB 3.42Å; E180-R184 PolarHBondContact O-N 2.95Å
181	M	90.8	Very high	91.8	Very high	13 Å²	13	72.5 Å²	72.5	6%	0.064	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-44.2	178.9	-166	173.9	86.6	0	0	112	M108 S115 Y118 V177 L178 E179 R184 F185	M108-M181 HydrophobicContact CE-CE 3.72Å; M108-M181 HydrophobicContact CG-CE 3.88Å; M108-M181 HydrophobicContact SD-CE 4.2Å; S115-M181 WeakPolarHBondContact CB-SD 3.18Å; Y118-M181 HydrophobicContact CD2-CE 3.88Å; Y118-M181 HydrophobicContact CD2-SD 4.22Å; Y118-M181 HydrophobicContact CE2-SD 4.46Å; Y118-M181 HydrophobicContact CG-CE 4.44Å; V177-M181 VanDerWaalsContact O-CB 3.25Å; V177-M181 WeakPolarHBondContact O-CB 3.47Å; V177-M181 PolarHBondContact O-N 3.19Å; L178-M181 HydrophobicContact CD1-CE 3.98Å; L178-M181 WeakPolarHBondContact O-CB 3.25Å; L178-M181 PolarHBondContact O-N 3.42Å; E179-M181 VanDerWaalsContact C-N 3.29Å; E179-M181 PolarHBondContact O-N 3Å; M181-R184 WeakPolarHBondContact O-CB 3.43Å; M181-R184 PolarHBondContact O-N 3.13Å; M181-F185 HydrophobicContact CE-CE2 4.07Å; M181-F185 HydrophobicContact CG-CD2 4.3Å; M181-F185 HydrophobicContact CG-CE2 3.67Å; M181-F185 HydrophobicContact CG-CZ 3.93Å; M181-F185 WeakPolarHBondContact O-CD2 3.34Å; M181-F185 WeakPolarHBondContact O-CG 3.31Å; M181-F185 PolarHBondContact O-N 2.95Å; M181-F185 HydrophobicContact SD-CE2 4.35Å
182	E	93.4	Very high	91.6	Very high	52 Å²	52	81.2 Å²	81.2	24%	0.243	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-44.5	174.1	-74.5	179.6	142.9	0	0	111.3	M108 R136 L178 E179 R184 F185 E186	M108-E182 HydrophobicContact CE-CG 4.03Å; M108-E182 HydrophobicContact SD-CG 4.14Å; R136-E182 IonicContact CZ-OE1 2.57Å; R136-E182 IonicContact CZ-OE2 2.68Å; R136-E182 IonicContact NH1-OE1 3.84Å; R136-E182 IonicContact NH2-OE1 3.19Å; R136-E182 PolarHBondContact NH2-OE1 3.17Å; R136-E182 IonicContact NH2-OE2 3.77Å; R136-E182 PolarHBondContact NH2-OE2 3.25Å; L178-E182 HydrophobicContact CD1-CG 4.28Å; L178-E182 HydrophobicContact CG-CG 4.46Å; L178-E182 WeakPolarHBondContact O-CG 3.39Å; L178-E182 PolarHBondContact O-N 2.9Å; E179-E182 PolarHBondContact O-N 3.18Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 2.94Å; E182-F185 PolarHBondContact O-N 3.27Å; E182-E186 PolarHBondContact O-N 3.48Å
183	A	93.6	Very high	91.6	Very high	48 Å²	48	85.8 Å²	85.8	40%	0.397	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-39.8	176.1	0	0	0	0	0	112.1	E179 E180 E186 K187	E179-A183 WeakPolarHBondContact O-CB 3.43Å; E179-A183 PolarHBondContact O-N 3.5Å; E180-A183 PolarHBondContact O-N 3.26Å; A183-E186 PolarHBondContact O-N 2.9Å; A183-K187 WeakPolarHBondContact O-CG 3.45Å; A183-K187 PolarHBondContact O-N 2.94Å
184	R	92.3	Very high	91.7	Very high	120 Å²	120	91 Å²	91	45%	0.453	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-46.5	174	176.9	-178.1	168.5	-120.9	-1.9	111.3	Q113 E180 M181 E182 E186 K187 L188	Q113-R184 PolarHBondContact O-NH1 3.46Å; E180-R184 WeakPolarHBondContact O-CB 3.42Å; E180-R184 PolarHBondContact O-N 2.95Å; M181-R184 WeakPolarHBondContact O-CB 3.43Å; M181-R184 PolarHBondContact O-N 3.13Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 2.94Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 2.86Å; R184-K187 PolarHBondContact O-N 3.29Å; R184-L188 PolarHBondContact O-N 3.39Å; R184-L188 VanDerWaalsContact O-N 3.09Å
185	F	89.8	Confident	91.9	Very high	16 Å²	16	95.3 Å²	95.3	7%	0.07	44%	0.437	C	S	.	.	H	α-helix	trans	-65.2	-37.5	178.1	-66.4	-34.6	0	0	0	112.4	M108 Q113 M181 E182 L188 R189	M108-F185 HydrophobicContact CE-CD2 3.56Å; M108-F185 HydrophobicContact CE-CE2 3.54Å; Q113-F185 HydrophobicContact CB-CE1 4.17Å; Q113-F185 HydrophobicContact CB-CZ 3.89Å; Q113-F185 HydrophobicContact CG-CZ 4.44Å; M181-F185 HydrophobicContact CE-CE2 4.07Å; M181-F185 HydrophobicContact CG-CD2 4.3Å; M181-F185 HydrophobicContact CG-CE2 3.67Å; M181-F185 HydrophobicContact CG-CZ 3.93Å; M181-F185 WeakPolarHBondContact O-CD2 3.34Å; M181-F185 WeakPolarHBondContact O-CG 3.31Å; M181-F185 PolarHBondContact O-N 2.95Å; M181-F185 HydrophobicContact SD-CE2 4.35Å; E182-F185 PolarHBondContact O-N 3.27Å; F185-L188 PolarHBondContact O-N 2.94Å; F185-R189 WeakPolarHBondContact O-CG 3.46Å; F185-R189 PolarHBondContact O-N 3.34Å
186	E	92.8	Very high	92.1	Very high	90 Å²	90	99.6 Å²	99.6	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-67.8	-40.9	177.2	-167.9	54.2	-145.9	0	0	112.3	E182 A183 R184 L188 R189 T190	E182-E186 PolarHBondContact O-N 3.48Å; A183-E186 PolarHBondContact O-N 2.9Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 2.86Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 3.09Å; E186-R189 PolarHBondContact O-N 3.43Å; E186-T190 HydrophobicContact CG-CG2 4.48Å; E186-T190 WeakPolarHBondContact O-CB 3.35Å; E186-T190 WeakPolarHBondContact O-CG2 3.41Å; E186-T190 PolarHBondContact O-N 2.98Å; E186-T190 PolarHBondContact O-OG1 3.49Å
187	K	92.9	Very high	92.3	Very high	154 Å²	154	98 Å²	98	67%	0.67	45%	0.45	S	S	*	.	H	α-helix	trans	-57.8	-43.5	171.9	-75.1	176.5	-176.6	179.2	0	111.9	A183 R184 T190 A191	A183-K187 WeakPolarHBondContact O-CG 3.45Å; A183-K187 PolarHBondContact O-N 2.94Å; R184-K187 PolarHBondContact O-N 3.29Å; K187-T190 WeakPolarHBondContact CA-OG1 3.34Å; K187-T190 PolarHBondContact O-OG1 3.41Å; K187-A191 VanDerWaalsContact O-CB 3.31Å; K187-A191 WeakPolarHBondContact O-CB 3.45Å; K187-A191 PolarHBondContact O-N 3.41Å
188	L	90.4	Very high	92.5	Very high	118 Å²	118	101 Å²	101	62%	0.618	46%	0.46	S	S	*	.	H	α-helix	trans	-66.9	-42.1	178.5	-173.1	63.2	0	0	0	112.1	R184 F185 E186 A191 R192	R184-L188 PolarHBondContact O-N 3.39Å; R184-L188 VanDerWaalsContact O-N 3.09Å; F185-L188 PolarHBondContact O-N 2.94Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 3.09Å; L188-A191 PolarHBondContact O-N 3Å; L188-R192 WeakPolarHBondContact O-CB 3.44Å; L188-R192 PolarHBondContact O-N 3.35Å
189	R	90.8	Very high	92.6	Very high	137 Å²	137	105.6 Å²	105.6	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-45.2	176.9	-75.1	-178.2	-173.3	113.4	4.3	112	F185 E186 R192 R193	F185-R189 WeakPolarHBondContact O-CG 3.46Å; F185-R189 PolarHBondContact O-N 3.34Å; E186-R189 PolarHBondContact O-N 3.43Å; R189-R192 PolarHBondContact O-N 3.26Å; R189-R193 WeakPolarHBondContact O-CG 3.36Å; R189-R193 PolarHBondContact O-N 3.4Å
190	T	93.6	Very high	92.7	Very high	51 Å²	51	104.9 Å²	104.9	31%	0.313	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-41.6	178.9	50.8	0	0	0	0	111.9	E186 K187 R193 R194	E186-T190 HydrophobicContact CG-CG2 4.48Å; E186-T190 WeakPolarHBondContact O-CB 3.35Å; E186-T190 WeakPolarHBondContact O-CG2 3.41Å; E186-T190 PolarHBondContact O-N 2.98Å; E186-T190 PolarHBondContact O-OG1 3.49Å; K187-T190 WeakPolarHBondContact CA-OG1 3.34Å; K187-T190 PolarHBondContact O-OG1 3.41Å; T190-R193 PolarHBondContact O-N 3.03Å; T190-R194 WeakPolarHBondContact O-CG 3.47Å; T190-R194 PolarHBondContact O-N 3.5Å
191	A	93	Very high	92.9	Very high	52 Å²	52	104.5 Å²	104.5	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-59.7	-46.9	174	0	0	0	0	0	112	K187 L188 R193 R194 Q195	K187-A191 VanDerWaalsContact O-CB 3.31Å; K187-A191 WeakPolarHBondContact O-CB 3.45Å; K187-A191 PolarHBondContact O-N 3.41Å; L188-A191 PolarHBondContact O-N 3Å; A191-R193 PolarHBondContact O-N 3.42Å; A191-R194 PolarHBondContact O-N 2.99Å; A191-Q195 PolarHBondContact O-N 3Å
192	R	93.1	Very high	93	Very high	184 Å²	184	109.9 Å²	109.9	69%	0.694	51%	0.508	S	S	*	.	H	α-helix	trans	-61.8	-42.5	178.6	-171.6	176.7	-179	-179.1	0.9	112.3	L188 R189 Q195 Q196	L188-R192 WeakPolarHBondContact O-CB 3.44Å; L188-R192 PolarHBondContact O-N 3.35Å; R189-R192 PolarHBondContact O-N 3.26Å; R192-Q195 PolarHBondContact O-N 3.02Å; R192-Q196 WeakPolarHBondContact O-CB 3.43Å; R192-Q196 PolarHBondContact O-N 3.44Å
193	R	93.1	Very high	93	Very high	170 Å²	170	112.9 Å²	112.9	64%	0.642	52%	0.522	S	S	*	.	H	α-helix	trans	-61.4	-44.9	175.6	-77.7	-179.8	176.3	177.4	-0.6	111.9	R189 T190 A191 Q196 Q197	R189-R193 WeakPolarHBondContact O-CG 3.36Å; R189-R193 PolarHBondContact O-N 3.4Å; T190-R193 PolarHBondContact O-N 3.03Å; A191-R193 PolarHBondContact O-N 3.42Å; R193-Q196 PolarHBondContact O-N 3.01Å; R193-Q197 WeakPolarHBondContact O-CG 3.39Å; R193-Q197 PolarHBondContact O-N 2.94Å
194	R	93.6	Very high	93	Very high	172 Å²	172	116.5 Å²	116.5	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-61.2	-45.7	176.9	-73.6	176.3	-179.7	178.1	0.7	111.7	T190 A191 Q196 Q197 Q198	T190-R194 WeakPolarHBondContact O-CG 3.47Å; T190-R194 PolarHBondContact O-N 3.5Å; A191-R194 PolarHBondContact O-N 2.99Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; R194-Q196 PolarHBondContact O-N 3.31Å; R194-Q197 PolarHBondContact O-N 2.93Å; R194-Q198 WeakPolarHBondContact O-CG 3.31Å; R194-Q198 PolarHBondContact O-N 3.45Å
195	Q	93.3	Very high	93.1	Very high	120 Å²	120	116.4 Å²	116.4	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-61.3	-42.9	178.2	-171.3	179.8	7.4	0	0	111.6	A191 R192 Q198 L199	A191-Q195 PolarHBondContact O-N 3Å; R192-Q195 PolarHBondContact O-N 3.02Å; Q195-Q198 PolarHBondContact O-N 3.03Å; Q195-L199 HydrophobicContact CG-CD1 4.36Å; Q195-L199 WeakPolarHBondContact O-CG 3.37Å; Q195-L199 PolarHBondContact O-N 3.01Å
196	Q	92.3	Very high	93.2	Very high	122 Å²	122	121.8 Å²	121.8	57%	0.57	56%	0.561	S	S	*	*	H	α-helix	trans	-65.7	-39.3	178.5	-164	170.3	18.4	0	0	112.2	R192 R193 R194 L199 L200	R192-Q196 WeakPolarHBondContact O-CB 3.43Å; R192-Q196 PolarHBondContact O-N 3.44Å; R193-Q196 PolarHBondContact O-N 3.01Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; R194-Q196 PolarHBondContact O-N 3.31Å; Q196-L199 PolarHBondContact O-N 3.49Å; Q196-L200 WeakPolarHBondContact O-CG 3.45Å; Q196-L200 PolarHBondContact O-N 3.34Å; Q196-L200 VanDerWaalsContact O-N 3.14Å
197	Q	93.4	Very high	93	Very high	124 Å²	124	123.3 Å²	123.3	58%	0.579	57%	0.568	S	S	*	*	H	α-helix	trans	-65.6	-41.5	173.9	-75.4	176.9	-15.8	0	0	112.5	R193 R194 L199 L200 M201	R193-Q197 WeakPolarHBondContact O-CG 3.39Å; R193-Q197 PolarHBondContact O-N 2.94Å; R194-Q197 PolarHBondContact O-N 2.93Å; Q197-L199 PolarHBondContact O-N 3.31Å; Q197-L200 PolarHBondContact O-N 3.5Å; Q197-M201 PolarHBondContact O-N 3.14Å
198	Q	94	Very high	92.9	Very high	122 Å²	122	122 Å²	122	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-62	-42.5	176.5	-76.3	176.3	-16.1	0	0	112	R194 Q195 L200 M201 Q202	R194-Q198 WeakPolarHBondContact O-CG 3.31Å; R194-Q198 PolarHBondContact O-N 3.45Å; Q195-Q198 PolarHBondContact O-N 3.03Å; Q198-L200 PolarHBondContact O-N 3.31Å; Q198-M201 PolarHBondContact O-N 3Å; Q198-Q202 PolarHBondContact O-N 3.38Å
199	L	95.4	Very high	92.9	Very high	99 Å²	99	120.6 Å²	120.6	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-61.7	-42.3	175.9	-75	165.1	0	0	0	112	Q195 Q196 Q197 Q202 Q203	Q195-L199 HydrophobicContact CG-CD1 4.36Å; Q195-L199 WeakPolarHBondContact O-CG 3.37Å; Q195-L199 PolarHBondContact O-N 3.01Å; Q196-L199 PolarHBondContact O-N 3.49Å; Q197-L199 PolarHBondContact O-N 3.31Å; L199-Q202 PolarHBondContact O-N 3.05Å; L199-Q203 WeakPolarHBondContact O-CB 3.48Å; L199-Q203 PolarHBondContact O-N 3.41Å
200	L	95.2	Very high	92.8	Very high	105 Å²	105	118.9 Å²	118.9	55%	0.55	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-43.4	176.9	-74.9	163.1	0	0	0	112.2	Q196 Q197 Q198 Q203 Q204	Q196-L200 WeakPolarHBondContact O-CG 3.45Å; Q196-L200 PolarHBondContact O-N 3.34Å; Q196-L200 VanDerWaalsContact O-N 3.14Å; Q197-L200 PolarHBondContact O-N 3.5Å; Q198-L200 PolarHBondContact O-N 3.31Å; L200-Q203 PolarHBondContact O-N 3.31Å; L200-Q204 PolarHBondContact O-N 3.47Å
201	M	94.3	Very high	92.4	Very high	126 Å²	126	118.7 Å²	118.7	62%	0.621	56%	0.561	S	S	*	*	H	α-helix	trans	-64.8	-42.3	177.3	-73	-159.9	-62.3	0	0	112.4	Q197 Q198 Q203 Q204 Q205	Q197-M201 PolarHBondContact O-N 3.14Å; Q198-M201 PolarHBondContact O-N 3Å; M201-Q203 VanDerWaalsContact C-N 3.29Å; M201-Q203 PolarHBondContact O-N 3.05Å; M201-Q204 PolarHBondContact O-N 3Å; M201-Q205 WeakPolarHBondContact O-CB 3.39Å; M201-Q205 PolarHBondContact O-N 3.37Å
202	Q	93.7	Very high	92.1	Very high	126 Å²	126	119 Å²	119	59%	0.589	56%	0.564	S	S	*	*	H	α-helix	trans	-59.9	-41.2	174.5	-93.1	-176.9	14.8	0	0	112	Q198 L199 Q205 Q206	Q198-Q202 PolarHBondContact O-N 3.38Å; L199-Q202 PolarHBondContact O-N 3.05Å; Q202-Q205 PolarHBondContact O-N 3.5Å; Q202-Q206 PolarHBondContact O-N 3.32Å
203	Q	93.4	Very high	91.5	Very high	114 Å²	114	116.7 Å²	116.7	53%	0.533	56%	0.561	S	S	.	*	H	α-helix	trans	-66.7	-41.2	-179	-149.4	178.3	106	0	0	111.6	L199 L200 M201 Q206 Q207	L199-Q203 WeakPolarHBondContact O-CB 3.48Å; L199-Q203 PolarHBondContact O-N 3.41Å; L200-Q203 PolarHBondContact O-N 3.31Å; M201-Q203 VanDerWaalsContact C-N 3.29Å; M201-Q203 PolarHBondContact O-N 3.05Å; Q203-Q206 PolarHBondContact O-N 2.98Å; Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 3.5Å; Q203-Q207 VanDerWaalsContact O-N 3.07Å
204	Q	93.4	Very high	90.8	Very high	125 Å²	125	115.2 Å²	115.2	58%	0.584	56%	0.562	S	S	*	*	H	α-helix	trans	-61.9	-44	172.6	-90.9	-174.4	-0.3	0	0	112.2	L200 M201 Q206 Q207 Q208	L200-Q204 PolarHBondContact O-N 3.47Å; M201-Q204 PolarHBondContact O-N 3Å; Q204-Q206 PolarHBondContact O-N 2.94Å; Q204-Q207 PolarHBondContact O-N 3.48Å; Q204-Q208 WeakPolarHBondContact O-CG 3.44Å; Q204-Q208 PolarHBondContact O-N 2.97Å
205	Q	93	Very high	89.7	Confident	118 Å²	118	113 Å²	113	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-66.2	-38.6	-179	-164.5	169.6	18.5	0	0	111.9	M201 Q202 Q208 N209	M201-Q205 WeakPolarHBondContact O-CB 3.39Å; M201-Q205 PolarHBondContact O-N 3.37Å; Q202-Q205 PolarHBondContact O-N 3.5Å; Q205-Q208 PolarHBondContact O-N 3.41Å; Q205-N209 WeakPolarHBondContact O-CB 3.43Å; Q205-N209 VanDerWaalsContact O-CG 3.23Å; Q205-N209 PolarHBondContact O-N 3.48Å
206	Q	91.9	Very high	88.6	Confident	129 Å²	129	115.8 Å²	115.8	60%	0.603	58%	0.575	S	S	*	*	H	α-helix	trans	-62.3	-44.2	172.3	-86.6	-176	-21.3	0	0	112.3	Q202 Q203 Q204 Q208 N209 L210	Q202-Q206 PolarHBondContact O-N 3.32Å; Q203-Q206 PolarHBondContact O-N 2.98Å; Q204-Q206 PolarHBondContact O-N 2.94Å; Q206-Q208 VanDerWaalsContact C-N 3.35Å; Q206-Q208 PolarHBondContact O-N 3.26Å; Q206-N209 PolarHBondContact O-N 2.94Å; Q206-L210 WeakPolarHBondContact O-CB 3.43Å; Q206-L210 VanDerWaalsContact O-CG 3.31Å; Q206-L210 WeakPolarHBondContact O-CG 3.31Å; Q206-L210 PolarHBondContact O-N 3.36Å
207	Q	90.1	Very high	87	Confident	121 Å²	121	118.4 Å²	118.4	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-62.3	-41.7	177.3	-75.6	180	-2.5	0	0	112.1	Q203 Q204 L210 A211	Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 3.5Å; Q203-Q207 VanDerWaalsContact O-N 3.07Å; Q204-Q207 PolarHBondContact O-N 3.48Å; Q207-L210 PolarHBondContact O-N 3.43Å; Q207-A211 WeakPolarHBondContact O-CB 3.4Å; Q207-A211 PolarHBondContact O-N 2.96Å
208	Q	89.6	Confident	85.2	Confident	126 Å²	126	120.3 Å²	120.3	59%	0.589	62%	0.617	S	S	*	*	H	α-helix	trans	-63.1	-43.7	175.7	-73.1	176.3	-5.9	0	0	111.9	Q204 Q205 Q206 L210 A211 A212	Q204-Q208 WeakPolarHBondContact O-CG 3.44Å; Q204-Q208 PolarHBondContact O-N 2.97Å; Q205-Q208 PolarHBondContact O-N 3.41Å; Q206-Q208 VanDerWaalsContact C-N 3.35Å; Q206-Q208 PolarHBondContact O-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.07Å; Q208-A211 PolarHBondContact O-N 2.95Å; Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 3.48Å
209	N	90	Very high	84.8	Confident	90 Å²	90	120.2 Å²	120.2	48%	0.481	62%	0.619	S	S	.	*	H	α-helix	trans	-64.1	-40.7	177.7	-72.1	-11.4	0	0	0	112.1	Q205 Q206 A212 Q213	Q205-N209 WeakPolarHBondContact O-CB 3.43Å; Q205-N209 VanDerWaalsContact O-CG 3.23Å; Q205-N209 PolarHBondContact O-N 3.48Å; Q206-N209 PolarHBondContact O-N 2.94Å; N209-A212 PolarHBondContact O-N 3.08Å; N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.42Å; N209-Q213 VanDerWaalsContact O-N 3.08Å
210	L	89	Confident	84.2	Confident	100 Å²	100	121.3 Å²	121.3	52%	0.524	62%	0.624	S	S	.	*	H	α-helix	trans	-64.2	-44	175.8	-74.1	164.4	0	0	0	111.7	Q206 Q207 Q208 A212 Q213 Q214	Q206-L210 WeakPolarHBondContact O-CB 3.43Å; Q206-L210 VanDerWaalsContact O-CG 3.31Å; Q206-L210 WeakPolarHBondContact O-CG 3.31Å; Q206-L210 PolarHBondContact O-N 3.36Å; Q207-L210 PolarHBondContact O-N 3.43Å; Q208-L210 PolarHBondContact O-N 3.07Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.49Å; L210-Q213 PolarHBondContact O-N 3.1Å; L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.19Å; L210-Q214 VanDerWaalsContact O-N 3.1Å
211	A	86.6	Confident	83.6	Confident	47 Å²	47	122.2 Å²	122.2	39%	0.388	63%	0.629	S	S	.	*	H	α-helix	trans	-63.1	-40.2	176.5	0	0	0	0	0	112	Q207 Q208 Q214 N215	Q207-A211 WeakPolarHBondContact O-CB 3.4Å; Q207-A211 PolarHBondContact O-N 2.96Å; Q208-A211 PolarHBondContact O-N 2.95Å; A211-Q214 PolarHBondContact O-N 3.41Å; A211-N215 PolarHBondContact O-N 3.32Å
212	A	84.9	Confident	83	Confident	59 Å²	59	122 Å²	122	49%	0.488	63%	0.629	S	S	.	*	H	α-helix	trans	-64.2	-39.1	176.5	0	0	0	0	0	112.6	Q208 N209 L210	Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 3.48Å; N209-A212 PolarHBondContact O-N 3.08Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.49Å
213	Q	81.8	Confident	82.3	Confident	135 Å²	135	121.8 Å²	121.8	63%	0.631	63%	0.631	S	S	*	*	H	α-helix	trans	-68.1	-38.1	176.9	-73.4	176.8	15.6	0	0	112.7	N209 L210 H216	N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.42Å; N209-Q213 VanDerWaalsContact O-N 3.08Å; L210-Q213 PolarHBondContact O-N 3.1Å; Q213-H216 PolarHBondContact O-N 3.35Å
214	Q	76.8	Confident	81.6	Confident	139 Å²	139	122.3 Å²	122.3	65%	0.65	64%	0.638	S	S	*	*	H	α-helix	trans	-65.4	-38.8	177.3	-72.7	179.7	0.9	0	0	112.3	L210 A211 H216 M217	L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.19Å; L210-Q214 VanDerWaalsContact O-N 3.1Å; A211-Q214 PolarHBondContact O-N 3.41Å; Q214-H216 PolarHBondContact O-N 3.27Å; Q214-M217 PolarHBondContact O-N 3.3Å
215	N	72.4	Confident	80.7	Confident	127 Å²	127	122.1 Å²	122.1	68%	0.679	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-14.6	177.5	-73.1	-15.1	0	0	0	114.2	A211	A211-N215 PolarHBondContact O-N 3.32Å
216	H	69.5	Low	79.8	Confident	177 Å²	177	122.4 Å²	122.4	82%	0.819	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-8.9	178.6	-117	16.1	0	0	0	113.9	Q213 Q214	Q213-H216 PolarHBondContact O-N 3.35Å; Q214-H216 PolarHBondContact O-N 3.27Å
217	M	59	Low	78.8	Confident	177 Å²	177	121.8 Å²	121.8	87%	0.872	65%	0.653	S	S	*	*			trans	-105.9	-2	-179.1	-81.3	-103.7	-69.9	0	0	113.7	Q214	Q214-M217 PolarHBondContact O-N 3.3Å
218	S	55.3	Low	77.7	Confident	164 Å²	164	121.9 Å²	121.9	100%	1.147	66%	0.661	S	S	*	*			trans	-103.7	0	169.7	-65.8	0	0	0	0	110.4

Retrieved 218 of 218 residues in 196.6 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).