A0A5K4F5B0_SCHMA Loading...

Phosphatidylinositol-4,5-bisphosphate 4-phosphatase

Catalyzes the hydrolysis of phosphatidylinositol-4,5-bisphosphate (PtdIns-4,5-P2) to phosphatidylinositol-4-phosphate (PtdIns-4-P).

AlphaFold DB , UniProt , Accession A0A5K4F5B0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 187 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	58.7	Low	73.3	Confident	180 Å²	180	102.4 Å²	102.4	89%	0.887	56%	0.555	S	S	*	*				0	134.1	0	-81.4	-175.5	176.3	0	0	108.4	I14	M1-I14 PolarHBondContact O-N 3.16Å
2	V	68.7	Low	72.9	Confident	57 Å²	57	100.3 Å²	100.3	35%	0.345	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.4	174.2	177.8	0	0	0	0	106	A11 Y23 L31	V2-A11 HydrophobicContact CG1-CB 3.31Å; V2-Y23 HydrophobicContact CG2-CE1 3.98Å; V2-L31 HydrophobicContact CB-CD2 4.43Å; V2-L31 HydrophobicContact CG1-CD2 3.61Å; V2-L31 HydrophobicContact CG2-CD2 3.88Å
3	V	77.1	Confident	72.3	Confident	77 Å²	77	96.3 Å²	96.3	47%	0.467	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.4	174.1	168.5	0	0	0	0	108.5	A11 T12 I14	V3-A11 WeakPolarHBondContact O-CA 3.48Å; V3-T12 PolarHBondContact N-O 3.27Å; V3-T12 VanDerWaalsContact N-O 3.17Å; V3-T12 PolarHBondContact O-N 3.25Å; V3-I14 HydrophobicContact CB-CD1 3.57Å; V3-I14 HydrophobicContact CB-CG1 4.01Å; V3-I14 HydrophobicContact CG1-CD1 4.43Å; V3-I14 HydrophobicContact CG2-CD1 3.15Å; V3-I14 HydrophobicContact CG2-CG1 3.93Å
4	R	79.9	Confident	72.1	Confident	195 Å²	195	98.2 Å²	98.2	74%	0.736	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.7	175.8	-61.5	178.1	-175.1	176.2	0.6	107.9	E10 A11	R4-E10 CarbonylContact C-O 3.52Å; R4-E10 WeakPolarHBondContact CA-O 3.19Å; R4-A11 HydrophobicContact CG-CB 4.38Å
5	C	76.1	Confident	72	Confident	48 Å²	48	102.5 Å²	102.5	32%	0.324	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-66.8	128.7	171.6	-178.6	0	0	0	0	109.4	H7 C8 S9 E10	C5-H7 PolarHBondContact O-N 2.96Å; C5-C8 WeakPolarHBondContact CB-SG 3.46Å; C5-C8 PolarHBondContact SG-SG 3.16Å; C5-S9 WeakPolarHBondContact O-CA 3.41Å; C5-S9 PolarHBondContact O-N 3.21Å; C5-E10 PolarHBondContact N-O 2.97Å
6	P	78.6	Confident	71.6	Confident	139 Å²	139	99.4 Å²	99.4	90%	0.903	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.7	179.1	26.7	-34.2	0	0	0	113.1
7	H	77.2	Confident	71.4	Confident	182 Å²	182	96.9 Å²	96.9	84%	0.843	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-38.7	-177.1	-168.9	-83	0	0	0	113.6	C5	C5-H7 PolarHBondContact O-N 2.96Å
8	C	71.2	Confident	71.4	Confident	63 Å²	63	96.2 Å²	96.2	43%	0.426	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	1.4	-178.4	58.7	0	0	0	0	114.3	C5 E10	C5-C8 WeakPolarHBondContact CB-SG 3.46Å; C5-C8 PolarHBondContact SG-SG 3.16Å; C8-E10 HydrophobicContact CB-CB 4.44Å; C8-E10 PolarHBondContact O-N 3.29Å; C8-E10 VanDerWaalsContact SG-CB 3.5Å
9	S	71.9	Confident	71.7	Confident	100 Å²	100	99.3 Å²	99.3	70%	0.699	56%	0.56	S	S	*	*			trans	56.2	10.8	-175.1	71	0	0	0	0	115.1	C5	C5-S9 WeakPolarHBondContact O-CA 3.41Å; C5-S9 PolarHBondContact O-N 3.21Å
10	E	75.1	Confident	72	Confident	64 Å²	64	95.7 Å²	95.7	30%	0.299	55%	0.546	S	S	.	.			trans	-78	132.1	-176	-172.5	164.5	-155.9	0	0	110.9	R4 C5 C8 R25 N29	R4-E10 CarbonylContact C-O 3.52Å; R4-E10 WeakPolarHBondContact CA-O 3.19Å; C5-E10 PolarHBondContact N-O 2.97Å; C8-E10 HydrophobicContact CB-CB 4.44Å; C8-E10 PolarHBondContact O-N 3.29Å; C8-E10 VanDerWaalsContact SG-CB 3.5Å; E10-R25 IonicContact OE1-CZ 2.76Å; E10-R25 IonicContact OE1-NH1 3.54Å; E10-R25 PolarHBondContact OE1-NH1 2.79Å; E10-R25 IonicContact OE1-NH2 3.55Å; E10-N29 PolarHBondContact OE1-ND2 3.06Å; E10-N29 PolarHBondContact OE1-OD1 3.35Å
11	A	72.3	Confident	72.4	Confident	21 Å²	21	95.2 Å²	95.2	17%	0.174	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.9	-176.1	0	0	0	0	0	109.9	V2 V3 R4 R25 L31	V2-A11 HydrophobicContact CG1-CB 3.31Å; V3-A11 WeakPolarHBondContact O-CA 3.48Å; R4-A11 HydrophobicContact CG-CB 4.38Å; A11-R25 PolarHBondContact O-NH2 3.46Å; A11-L31 HydrophobicContact CB-CB 4.18Å; A11-L31 HydrophobicContact CB-CD2 3.96Å
12	T	68	Low	73.4	Confident	77 Å²	77	88.5 Å²	88.5	47%	0.472	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.1	179.1	-51.1	0	0	0	0	109.1	V3 I14	V3-T12 PolarHBondContact N-O 3.27Å; V3-T12 VanDerWaalsContact N-O 3.17Å; V3-T12 PolarHBondContact O-N 3.25Å; T12-I14 PolarHBondContact O-N 2.87Å
13	P	64.6	Low	73.8	Confident	49 Å²	49	88.5 Å²	88.5	32%	0.318	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	116.3	175.8	27.2	-31.5	0	0	0	109	Y23	P13-Y23 HydrophobicContact CB-CD2 3.84Å; P13-Y23 HydrophobicContact CB-CE2 3.67Å; P13-Y23 HydrophobicContact CB-CG 4.35Å; P13-Y23 HydrophobicContact CG-CD2 4.28Å
14	I	69.9	Low	74	Confident	123 Å²	123	85.8 Å²	85.8	63%	0.631	48%	0.482	S	S	*	.	S	Bend	trans	-78.3	-31.9	174.8	-65	-164.6	0	0	0	110.7	M1 V3 T12	M1-I14 PolarHBondContact O-N 3.16Å; V3-I14 HydrophobicContact CB-CD1 3.57Å; V3-I14 HydrophobicContact CB-CG1 4.01Å; V3-I14 HydrophobicContact CG1-CD1 4.43Å; V3-I14 HydrophobicContact CG2-CD1 3.15Å; V3-I14 HydrophobicContact CG2-CG1 3.93Å; T12-I14 PolarHBondContact O-N 2.87Å
15	K	71.1	Confident	74	Confident	162 Å²	162	81 Å²	81	70%	0.704	46%	0.464	S	S	*	.	S	Bend	trans	-118.3	145.9	179.2	-155.9	166.7	-174.3	178	0	108.3
16	G	65.5	Low	74.2	Confident	54 Å²	54	78.9 Å²	78.9	56%	0.557	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-51.7	153.3	167.6	0	0	0	0	0	110.6
17	P	67.2	Low	74.3	Confident	56 Å²	56	76.8 Å²	76.8	36%	0.364	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-60.4	144.1	-179.5	26.1	-31.6	0	0	0	109.7	K21 Y23	P17-K21 HydrophobicContact CB-CB 4.13Å; P17-K21 WeakPolarHBondContact CB-O 3.4Å; P17-K21 VanDerWaalsContact CG-O 3.23Å; P17-K21 WeakPolarHBondContact CG-O 3.3Å; P17-Y23 VanDerWaalsContact CA-CE2 3.49Å; P17-Y23 HydrophobicContact CB-CD2 3.8Å; P17-Y23 HydrophobicContact CB-CE2 3.58Å; P17-Y23 HydrophobicContact CG-CD2 4.02Å; P17-Y23 HydrophobicContact CG-CE2 4.16Å
18	P	73.1	Confident	74.4	Confident	84 Å²	84	69.7 Å²	69.7	55%	0.545	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-60.6	152.7	170.1	27	-32.6	0	0	0	109.9	G20 K21	P18-G20 PolarHBondContact O-N 3.41Å; P18-K21 HydrophobicContact CG-CB 4.37Å; P18-K21 HydrophobicContact CG-CG 4.17Å; P18-K21 WeakPolarHBondContact O-CB 3.47Å; P18-K21 PolarHBondContact O-N 2.96Å
19	T	75.9	Confident	74.6	Confident	155 Å²	155	70.6 Å²	70.6	95%	0.951	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	129.8	-175.8	-46.2	0	0	0	0	112.3
20	G	78.6	Confident	74.8	Confident	27 Å²	27	67 Å²	67	28%	0.278	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	5.9	-179.6	0	0	0	0	0	115.6	P18 N35 E36	P18-G20 PolarHBondContact O-N 3.41Å; G20-N35 WeakPolarHBondContact O-CA 3.46Å; G20-N35 PolarHBondContact O-OD1 3.03Å; G20-E36 PolarHBondContact O-N 3.22Å
21	K	79.4	Confident	75	Confident	87 Å²	87	65.5 Å²	65.5	38%	0.378	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.5	173.3	-60.6	-63.8	-176	-173.6	0	111.3	P17 P18 V33 C34 N35	P17-K21 HydrophobicContact CB-CB 4.13Å; P17-K21 WeakPolarHBondContact CB-O 3.4Å; P17-K21 VanDerWaalsContact CG-O 3.23Å; P17-K21 WeakPolarHBondContact CG-O 3.3Å; P18-K21 HydrophobicContact CG-CB 4.37Å; P18-K21 HydrophobicContact CG-CG 4.17Å; P18-K21 WeakPolarHBondContact O-CB 3.47Å; P18-K21 PolarHBondContact O-N 2.96Å; K21-V33 HydrophobicContact CB-CG1 4.18Å; K21-V33 HydrophobicContact CD-CG1 4.43Å; K21-V33 HydrophobicContact CG-CG1 4.45Å; K21-C34 CarbonylContact C-O 3.47Å; K21-C34 VanDerWaalsContact CA-O 3.28Å; K21-C34 WeakPolarHBondContact CA-O 3.18Å; K21-N35 WeakPolarHBondContact CD-OD1 3.4Å; K21-N35 WeakPolarHBondContact CE-OD1 3.28Å; K21-N35 PolarHBondContact NZ-OD1 3.21Å
22	Q	79.5	Confident	75.4	Confident	39 Å²	39	65.4 Å²	65.4	18%	0.182	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.3	172.7	58.5	178.8	-33.5	0	0	110.6	V24 C34 N35 E36	Q22-V24 HydrophobicContact CG-CG2 4.26Å; Q22-C34 HydrophobicContact CG-CB 4Å; Q22-C34 PolarHBondContact N-O 3.08Å; Q22-C34 PolarHBondContact O-N 3.29Å; Q22-N35 PolarHBondContact NE2-O 3.31Å; Q22-E36 PolarHBondContact NE2-O 3.14Å
23	Y	78.6	Confident	76	Confident	56 Å²	56	65.6 Å²	65.6	22%	0.22	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.5	172.6	-69.5	-65.3	0	0	0	109.2	V2 P13 P17 L31 V33	V2-Y23 HydrophobicContact CG2-CE1 3.98Å; P13-Y23 HydrophobicContact CB-CD2 3.84Å; P13-Y23 HydrophobicContact CB-CE2 3.67Å; P13-Y23 HydrophobicContact CB-CG 4.35Å; P13-Y23 HydrophobicContact CG-CD2 4.28Å; P17-Y23 VanDerWaalsContact CA-CE2 3.49Å; P17-Y23 HydrophobicContact CB-CD2 3.8Å; P17-Y23 HydrophobicContact CB-CE2 3.58Å; P17-Y23 HydrophobicContact CG-CD2 4.02Å; P17-Y23 HydrophobicContact CG-CE2 4.16Å; Y23-L31 HydrophobicContact CD1-CD1 4.35Å; Y23-L31 HydrophobicContact CD1-CD2 4.2Å; Y23-L31 HydrophobicContact CD1-CG 4.35Å; Y23-V33 HydrophobicContact CD1-CG2 3.82Å; Y23-V33 HydrophobicContact CE1-CG1 4.34Å; Y23-V33 HydrophobicContact CE1-CG2 3.61Å
24	V	79.8	Confident	76.8	Confident	20 Å²	20	63.7 Å²	63.7	12%	0.121	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.6	176.1	178	0	0	0	0	109	Q22 L32 I52 I54	Q22-V24 HydrophobicContact CG-CG2 4.26Å; V24-L32 PolarHBondContact N-O 2.76Å; V24-L32 WeakPolarHBondContact O-CA 3.2Å; V24-L32 WeakPolarHBondContact O-CB 3.5Å; V24-L32 PolarHBondContact O-N 3.45Å; V24-I52 HydrophobicContact CG1-CD1 4.33Å; V24-I52 HydrophobicContact CG1-CG2 4.13Å; V24-I54 HydrophobicContact CB-CD1 4.25Å; V24-I54 HydrophobicContact CG1-CD1 4.32Å; V24-I54 HydrophobicContact CG1-CG1 4.44Å; V24-I54 HydrophobicContact CG2-CD1 3.4Å; V24-I54 VanDerWaalsContact CG2-CD1 3.4Å; V24-I54 HydrophobicContact CG2-CG1 4.06Å
25	R	80.2	Confident	77.2	Confident	94 Å²	94	60.8 Å²	60.8	36%	0.355	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.2	174.8	-78.8	-179.3	163.9	-115.8	5.1	109.8	E10 A11 N29 C30 L31	E10-R25 IonicContact OE1-CZ 2.76Å; E10-R25 IonicContact OE1-NH1 3.54Å; E10-R25 PolarHBondContact OE1-NH1 2.79Å; E10-R25 IonicContact OE1-NH2 3.55Å; A11-R25 PolarHBondContact O-NH2 3.46Å; R25-N29 PolarHBondContact NH1-OD1 3.05Å; R25-C30 WeakPolarHBondContact CA-O 3.3Å; R25-L31 HydrophobicContact CG-CD1 3.68Å
26	C	80.7	Confident	77.3	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.034	34%	0.339	C	S	.	.			trans	-69.8	151	172.4	-172.2	0	0	0	0	111.1	C28 N29 C30 L32 C43 I52	C26-C28 VanDerWaalsContact CB-SG 3.6Å; C26-C28 PolarHBondContact O-N 2.91Å; C26-C28 PolarHBondContact SG-SG 3.41Å; C26-N29 WeakPolarHBondContact O-CA 3.28Å; C26-N29 PolarHBondContact O-N 2.82Å; C26-C30 HydrophobicContact CB-CB 4.02Å; C26-C30 PolarHBondContact N-O 2.9Å; C26-L32 HydrophobicContact CB-CD1 3.97Å; C26-C43 HydrophobicContact CB-CB 4.36Å; C26-C43 VanDerWaalsContact SG-CB 3.52Å; C26-I52 HydrophobicContact CB-CD1 3.73Å
27	P	81.1	Confident	77.9	Confident	94 Å²	94	59.8 Å²	59.8	61%	0.61	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-20.4	171.8	-30.6	37.5	0	0	0	115.5	N29 K50	P27-N29 PolarHBondContact O-N 3.11Å; P27-K50 HydrophobicContact CG-CD 4.11Å
28	C	78.3	Confident	78.3	Confident	33 Å²	33	59.2 Å²	59.2	22%	0.223	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	11.6	171.7	66.1	0	0	0	0	114.1	C26 C30 C43 R45 C48	C26-C28 VanDerWaalsContact CB-SG 3.6Å; C26-C28 PolarHBondContact O-N 2.91Å; C26-C28 PolarHBondContact SG-SG 3.41Å; C28-C30 VanDerWaalsContact C-N 3.29Å; C28-C30 PolarHBondContact O-N 2.9Å; C28-C43 PolarHBondContact SG-SG 2.77Å; C28-R45 VanDerWaalsContact SG-CD 3.59Å; C28-C48 HydrophobicContact CB-CB 3.79Å; C28-C48 VanDerWaalsContact CB-SG 3.58Å; C28-C48 VanDerWaalsContact SG-SG 3.61Å
29	N	74.9	Confident	78.4	Confident	82 Å²	82	58 Å²	58	44%	0.439	33%	0.327	S	S	.	.	S	Bend	trans	64.4	23.7	-176.6	-140.6	28	0	0	0	115.4	E10 R25 C26 P27	E10-N29 PolarHBondContact OE1-ND2 3.06Å; E10-N29 PolarHBondContact OE1-OD1 3.35Å; R25-N29 PolarHBondContact NH1-OD1 3.05Å; C26-N29 WeakPolarHBondContact O-CA 3.28Å; C26-N29 PolarHBondContact O-N 2.82Å; P27-N29 PolarHBondContact O-N 3.11Å
30	C	77.3	Confident	78.6	Confident	24 Å²	24	57.4 Å²	57.4	16%	0.162	31%	0.312	C	S	.	.			trans	-82.4	122.6	170.8	-170.1	0	0	0	0	110.2	R25 C26 C28 L32	R25-C30 WeakPolarHBondContact CA-O 3.3Å; C26-C30 HydrophobicContact CB-CB 4.02Å; C26-C30 PolarHBondContact N-O 2.9Å; C28-C30 VanDerWaalsContact C-N 3.29Å; C28-C30 PolarHBondContact O-N 2.9Å; C30-L32 PolarHBondContact O-N 2.82Å
31	L	78.8	Confident	78.9	Confident	34 Å²	34	56.9 Å²	56.9	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.4	172.8	-173.6	76.8	0	0	0	109.3	V2 A11 Y23 R25	V2-L31 HydrophobicContact CB-CD2 4.43Å; V2-L31 HydrophobicContact CG1-CD2 3.61Å; V2-L31 HydrophobicContact CG2-CD2 3.88Å; A11-L31 HydrophobicContact CB-CB 4.18Å; A11-L31 HydrophobicContact CB-CD2 3.96Å; Y23-L31 HydrophobicContact CD1-CD1 4.35Å; Y23-L31 HydrophobicContact CD1-CD2 4.2Å; Y23-L31 HydrophobicContact CD1-CG 4.35Å; R25-L31 HydrophobicContact CG-CD1 3.68Å
32	L	80.4	Confident	79.2	Confident	18 Å²	18	55 Å²	55	9%	0.094	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.6	178.1	-62.2	157.4	0	0	0	108.8	V24 C26 C30 V41 P44 I52	V24-L32 PolarHBondContact N-O 2.76Å; V24-L32 WeakPolarHBondContact O-CA 3.2Å; V24-L32 WeakPolarHBondContact O-CB 3.5Å; V24-L32 PolarHBondContact O-N 3.45Å; C26-L32 HydrophobicContact CB-CD1 3.97Å; C30-L32 PolarHBondContact O-N 2.82Å; L32-V41 HydrophobicContact CB-CG1 4.3Å; L32-V41 HydrophobicContact CD1-CG1 3.92Å; L32-V41 HydrophobicContact CG-CG1 4.48Å; L32-P44 VanDerWaalsContact CD2-CD 3.46Å; L32-P44 HydrophobicContact CD2-CG 4.22Å; L32-I52 HydrophobicContact CD1-CD1 3.91Å
33	V	81.7	Confident	79.5	Confident	82 Å²	82	53.4 Å²	53.4	50%	0.497	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.3	172.1	-170.6	0	0	0	0	106.9	K21 Y23	K21-V33 HydrophobicContact CB-CG1 4.18Å; K21-V33 HydrophobicContact CD-CG1 4.43Å; K21-V33 HydrophobicContact CG-CG1 4.45Å; Y23-V33 HydrophobicContact CD1-CG2 3.82Å; Y23-V33 HydrophobicContact CE1-CG1 4.34Å; Y23-V33 HydrophobicContact CE1-CG2 3.61Å
34	C	79.8	Confident	79.9	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	158	-173.1	-51.8	0	0	0	0	109	K21 Q22 V41 I54	K21-C34 CarbonylContact C-O 3.47Å; K21-C34 VanDerWaalsContact CA-O 3.28Å; K21-C34 WeakPolarHBondContact CA-O 3.18Å; Q22-C34 HydrophobicContact CG-CB 4Å; Q22-C34 PolarHBondContact N-O 3.08Å; Q22-C34 PolarHBondContact O-N 3.29Å; C34-V41 HydrophobicContact CB-CG2 3.77Å; C34-V41 WeakPolarHBondContact SG-CG1 3.41Å; C34-V41 WeakPolarHBondContact SG-CG2 3.4Å; C34-I54 HydrophobicContact CB-CD1 4.4Å
35	N	80	Confident	80.1	Confident	62 Å²	62	59.3 Å²	59.3	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	147	167.4	-123.1	41.2	0	0	0	108.2	G20 K21 Q22 S37 T38	G20-N35 WeakPolarHBondContact O-CA 3.46Å; G20-N35 PolarHBondContact O-OD1 3.03Å; K21-N35 WeakPolarHBondContact CD-OD1 3.4Å; K21-N35 WeakPolarHBondContact CE-OD1 3.28Å; K21-N35 PolarHBondContact NZ-OD1 3.21Å; Q22-N35 PolarHBondContact NE2-O 3.31Å; N35-S37 PolarHBondContact ND2-OG 3.33Å; N35-S37 PolarHBondContact O-N 3.19Å; N35-T38 WeakPolarHBondContact CB-OG1 3.47Å; N35-T38 PolarHBondContact N-OG1 2.69Å; N35-T38 VanDerWaalsContact O-CB 3.3Å; N35-T38 WeakPolarHBondContact O-CB 3.29Å; N35-T38 PolarHBondContact O-N 3.23Å; N35-T38 PolarHBondContact O-OG1 3.07Å
36	E	72.6	Confident	80.3	Confident	117 Å²	117	60.2 Å²	60.2	55%	0.547	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.5	173.4	-166.4	170.4	174.2	0	0	111.1	G20 Q22 T38	G20-E36 PolarHBondContact O-N 3.22Å; Q22-E36 PolarHBondContact NE2-O 3.14Å; E36-T38 VanDerWaalsContact C-N 3.25Å; E36-T38 PolarHBondContact O-N 2.78Å
37	S	77	Confident	80.3	Confident	78 Å²	78	66.1 Å²	66.1	55%	0.545	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	4	174.3	67.5	0	0	0	0	115.9	N35 E56	N35-S37 PolarHBondContact ND2-OG 3.33Å; N35-S37 PolarHBondContact O-N 3.19Å; S37-E56 WeakPolarHBondContact CA-OE1 3.08Å
38	T	75.8	Confident	80.4	Confident	44 Å²	44	63.2 Å²	63.2	27%	0.27	36%	0.361	S	S	.	.			trans	-95.5	101	-177.1	-56.2	0	0	0	0	110	N35 E36 K40 V41 I54	N35-T38 WeakPolarHBondContact CB-OG1 3.47Å; N35-T38 PolarHBondContact N-OG1 2.69Å; N35-T38 VanDerWaalsContact O-CB 3.3Å; N35-T38 WeakPolarHBondContact O-CB 3.29Å; N35-T38 PolarHBondContact O-N 3.23Å; N35-T38 PolarHBondContact O-OG1 3.07Å; E36-T38 VanDerWaalsContact C-N 3.25Å; E36-T38 PolarHBondContact O-N 2.78Å; T38-K40 VanDerWaalsContact C-N 3.32Å; T38-K40 WeakPolarHBondContact CG2-O 3.4Å; T38-K40 PolarHBondContact O-N 2.89Å; T38-V41 HydrophobicContact CG2-CG2 3.61Å; T38-I54 WeakPolarHBondContact O-CD1 3.14Å
39	S	75.9	Confident	80.6	Confident	57 Å²	57	69 Å²	69	40%	0.399	39%	0.385	S	S	.	.	S	Bend	trans	-77.9	-12	177.7	56.1	0	0	0	0	114.8	V53 I54 E56	S39-V53 CarbonylContact O-C 3.56Å; S39-V53 VanDerWaalsContact O-CA 3.28Å; S39-V53 WeakPolarHBondContact O-CA 3.34Å; S39-I54 WeakPolarHBondContact CA-O 3.49Å; S39-I54 WeakPolarHBondContact CB-O 3.23Å; S39-I54 PolarHBondContact O-N 3.44Å; S39-E56 WeakPolarHBondContact CB-OE2 3.24Å; S39-E56 PolarHBondContact N-OE2 3.37Å; S39-E56 VanDerWaalsContact N-OE2 3.16Å
40	K	81	Confident	81.1	Confident	144 Å²	144	70.6 Å²	70.6	63%	0.626	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	125.2	-178.6	-65.4	-178	-177.5	168.8	0	111.6	T38 V51 I52 V53	T38-K40 VanDerWaalsContact C-N 3.32Å; T38-K40 WeakPolarHBondContact CG2-O 3.4Å; T38-K40 PolarHBondContact O-N 2.89Å; K40-V51 HydrophobicContact CB-CG1 4.44Å; K40-I52 WeakPolarHBondContact CA-O 3.49Å; K40-V53 HydrophobicContact CG-CG2 4.35Å
41	V	84	Confident	81.4	Confident	16 Å²	16	74 Å²	74	10%	0.097	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.5	-177	-176.5	0	0	0	0	109.8	L32 C34 T38 I52 I54	L32-V41 HydrophobicContact CB-CG1 4.3Å; L32-V41 HydrophobicContact CD1-CG1 3.92Å; L32-V41 HydrophobicContact CG-CG1 4.48Å; C34-V41 HydrophobicContact CB-CG2 3.77Å; C34-V41 WeakPolarHBondContact SG-CG1 3.41Å; C34-V41 WeakPolarHBondContact SG-CG2 3.4Å; T38-V41 HydrophobicContact CG2-CG2 3.61Å; V41-I52 PolarHBondContact N-O 2.87Å; V41-I52 PolarHBondContact O-N 3.48Å; V41-I54 HydrophobicContact CB-CD1 4.42Å; V41-I54 HydrophobicContact CG2-CD1 3.47Å; V41-I54 VanDerWaalsContact CG2-CD1 3.47Å; V41-I54 HydrophobicContact CG2-CG1 4.47Å
42	G	85.9	Confident	81.3	Confident	46 Å²	46	73.8 Å²	73.8	47%	0.474	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	139.2	171.9	0	0	0	0	0	111.7
43	C	86.5	Confident	81.3	Confident	7 Å²	7	76.7 Å²	76.7	5%	0.047	42%	0.424	C	S	.	.			trans	-73.7	130.9	168.9	-165	0	0	0	0	110.6	C26 C28 R45 C48 K50	C26-C43 HydrophobicContact CB-CB 4.36Å; C26-C43 VanDerWaalsContact SG-CB 3.52Å; C28-C43 PolarHBondContact SG-SG 2.77Å; C43-R45 PolarHBondContact O-N 3.29Å; C43-C48 HydrophobicContact CB-CB 4.3Å; C43-K50 PolarHBondContact N-O 3.03Å; C43-K50 VanDerWaalsContact N-O 3.08Å
44	P	86.7	Confident	80.9	Confident	100 Å²	100	74.1 Å²	74.1	65%	0.649	41%	0.408	S	S	*	.			trans	-78.7	-1.8	179.5	32.8	-36.6	0	0	0	113.8	L32	L32-P44 VanDerWaalsContact CD2-CD 3.46Å; L32-P44 HydrophobicContact CD2-CG 4.22Å
45	R	84	Confident	80	Confident	99 Å²	99	82.8 Å²	82.8	37%	0.374	44%	0.439	S	S	.	.			trans	-72.8	126	177.8	-89.2	170.3	-179.8	-120.8	14.9	109.1	C28 C43 E47 C48 Q49	C28-R45 VanDerWaalsContact SG-CD 3.59Å; C43-R45 PolarHBondContact O-N 3.29Å; R45-E47 HydrophobicContact CB-CG 4.25Å; R45-E47 WeakPolarHBondContact CD-OE1 3.46Å; R45-E47 VanDerWaalsContact CG-OE1 3.24Å; R45-E47 WeakPolarHBondContact CG-OE1 3.23Å; R45-E47 IonicContact CZ-OE1 2.68Å; R45-E47 IonicContact NE-OE1 3.63Å; R45-E47 IonicContact NH1-OE1 3.56Å; R45-E47 PolarHBondContact NH1-OE1 3.29Å; R45-E47 PolarHBondContact O-N 2.96Å; R45-C48 HydrophobicContact CB-CB 4.03Å; R45-C48 PolarHBondContact O-N 3.03Å; R45-Q49 PolarHBondContact O-N 2.82Å
46	P	83.2	Confident	78.9	Confident	114 Å²	114	85 Å²	85	74%	0.74	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.4	177.6	26.8	-34	0	0	0	111.4
47	E	82.2	Confident	78.1	Confident	128 Å²	128	86.3 Å²	86.3	60%	0.598	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-17	176.5	67	-94.1	-175.9	0	0	115.5	R45	R45-E47 HydrophobicContact CB-CG 4.25Å; R45-E47 WeakPolarHBondContact CD-OE1 3.46Å; R45-E47 VanDerWaalsContact CG-OE1 3.24Å; R45-E47 WeakPolarHBondContact CG-OE1 3.23Å; R45-E47 IonicContact CZ-OE1 2.68Å; R45-E47 IonicContact NE-OE1 3.63Å; R45-E47 IonicContact NH1-OE1 3.56Å; R45-E47 PolarHBondContact NH1-OE1 3.29Å; R45-E47 PolarHBondContact O-N 2.96Å
48	C	81.7	Confident	76.6	Confident	34 Å²	34	88.5 Å²	88.5	23%	0.23	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-47.9	-172.4	-171.4	0	0	0	0	113	C28 C43 R45 K50	C28-C48 HydrophobicContact CB-CB 3.79Å; C28-C48 VanDerWaalsContact CB-SG 3.58Å; C28-C48 VanDerWaalsContact SG-SG 3.61Å; C43-C48 HydrophobicContact CB-CB 4.3Å; R45-C48 HydrophobicContact CB-CB 4.03Å; R45-C48 PolarHBondContact O-N 3.03Å; C48-K50 WeakPolarHBondContact O-CA 3.38Å; C48-K50 PolarHBondContact O-N 2.81Å
49	Q	83	Confident	75	Confident	155 Å²	155	90.5 Å²	90.5	72%	0.724	49%	0.488	S	S	*	.			trans	36.9	25.4	180	-152.3	171.9	-33.4	0	0	116.3	R45	R45-Q49 PolarHBondContact O-N 2.82Å
50	K	84.6	Confident	73.7	Confident	114 Å²	114	94 Å²	94	50%	0.496	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-83.7	133.8	-170.1	-161.8	177.2	-161.2	-179.3	0	109.4	P27 C43 C48	P27-K50 HydrophobicContact CG-CD 4.11Å; C43-K50 PolarHBondContact N-O 3.03Å; C43-K50 VanDerWaalsContact N-O 3.08Å; C48-K50 WeakPolarHBondContact O-CA 3.38Å; C48-K50 PolarHBondContact O-N 2.81Å
51	V	83.8	Confident	71.8	Confident	95 Å²	95	90.3 Å²	90.3	58%	0.576	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.6	171.5	-177.1	0	0	0	0	108.6	K40	K40-V51 HydrophobicContact CB-CG1 4.44Å
52	I	78.1	Confident	69.7	Low	31 Å²	31	100 Å²	100	16%	0.159	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.7	120.5	176.7	-53.5	159.9	0	0	0	106.7	V24 C26 L32 K40 V41	V24-I52 HydrophobicContact CG1-CD1 4.33Å; V24-I52 HydrophobicContact CG1-CG2 4.13Å; C26-I52 HydrophobicContact CB-CD1 3.73Å; L32-I52 HydrophobicContact CD1-CD1 3.91Å; K40-I52 WeakPolarHBondContact CA-O 3.49Å; V41-I52 PolarHBondContact N-O 2.87Å; V41-I52 PolarHBondContact O-N 3.48Å
53	V	80.7	Confident	68	Low	78 Å²	78	106.7 Å²	106.7	47%	0.473	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	115.6	175.8	-175.8	0	0	0	0	108	S39 K40 R55	S39-V53 CarbonylContact O-C 3.56Å; S39-V53 VanDerWaalsContact O-CA 3.28Å; S39-V53 WeakPolarHBondContact O-CA 3.34Å; K40-V53 HydrophobicContact CG-CG2 4.35Å; V53-R55 HydrophobicContact CG1-CG 4.35Å
54	I	72.7	Confident	65.4	Low	28 Å²	28	110.5 Å²	110.5	14%	0.144	61%	0.612	C	S	.	*			trans	-96.6	100.2	175.7	-49.5	164.4	0	0	0	104.8	V24 C34 T38 S39 V41 E56	V24-I54 HydrophobicContact CB-CD1 4.25Å; V24-I54 HydrophobicContact CG1-CD1 4.32Å; V24-I54 HydrophobicContact CG1-CG1 4.44Å; V24-I54 HydrophobicContact CG2-CD1 3.4Å; V24-I54 VanDerWaalsContact CG2-CD1 3.4Å; V24-I54 HydrophobicContact CG2-CG1 4.06Å; C34-I54 HydrophobicContact CB-CD1 4.4Å; T38-I54 WeakPolarHBondContact O-CD1 3.14Å; S39-I54 WeakPolarHBondContact CA-O 3.49Å; S39-I54 WeakPolarHBondContact CB-O 3.23Å; S39-I54 PolarHBondContact O-N 3.44Å; V41-I54 HydrophobicContact CB-CD1 4.42Å; V41-I54 HydrophobicContact CG2-CD1 3.47Å; V41-I54 VanDerWaalsContact CG2-CD1 3.47Å; V41-I54 HydrophobicContact CG2-CG1 4.47Å; I54-E56 PolarHBondContact O-N 3.35Å; I54-E56 VanDerWaalsContact O-N 3.16Å
55	R	61.2	Low	62.9	Low	191 Å²	191	109.4 Å²	109.4	72%	0.721	62%	0.619	S	S	*	*			trans	-72.1	110.6	176.8	-75.9	-176.5	151.8	90.5	-1.1	108.1	V53 E57	V53-R55 HydrophobicContact CG1-CG 4.35Å; R55-E57 PolarHBondContact O-N 3.29Å
56	E	56.8	Low	60.9	Low	109 Å²	109	110 Å²	110	51%	0.509	64%	0.639	S	S	.	*			trans	-68.7	72.9	164.4	-81	155.6	74.3	0	0	108.5	S37 S39 I54	S37-E56 WeakPolarHBondContact CA-OE1 3.08Å; S39-E56 WeakPolarHBondContact CB-OE2 3.24Å; S39-E56 PolarHBondContact N-OE2 3.37Å; S39-E56 VanDerWaalsContact N-OE2 3.16Å; I54-E56 PolarHBondContact O-N 3.35Å; I54-E56 VanDerWaalsContact O-N 3.16Å
57	E	55.3	Low	58.7	Low	144 Å²	144	111.3 Å²	111.3	67%	0.673	64%	0.639	S	S	*	*			trans	-123.4	113.9	169.6	-65.8	-172.3	111.5	0	0	106.5	R55	R55-E57 PolarHBondContact O-N 3.29Å
58	D	46.1	Very low	56.7	Low	125 Å²	125	116.3 Å²	116.3	67%	0.668	65%	0.653	S	S	*	*			trans	88.8	80.6	172.9	-46.4	-43.2	0	0	0	117.4	V60	D58-V60 PolarHBondContact O-N 2.76Å; D58-V60 VanDerWaalsContact O-N 3.11Å
59	G	41.8	Very low	54.6	Low	85 Å²	85	123.4 Å²	123.4	88%	0.876	68%	0.68	S	S	*	*			trans	-60.7	106.3	161	0	0	0	0	0	111.8
60	V	47.7	Very low	52.7	Low	130 Å²	130	121.6 Å²	121.6	79%	0.788	68%	0.675	S	S	*	*			trans	-140	121	162.4	-179.3	0	0	0	0	109	D58	D58-V60 PolarHBondContact O-N 2.76Å; D58-V60 VanDerWaalsContact O-N 3.11Å
61	G	41	Very low	50.3	Low	67 Å²	67	124.2 Å²	124.2	69%	0.691	69%	0.689	S	S	*	*			trans	-57.3	141.2	-175.7	0	0	0	0	0	114.9	M63	G61-M63 PolarHBondContact O-N 3.21Å; G61-M63 VanDerWaalsContact O-N 3.14Å
62	F	40.1	Very low	47.8	Very low	219 Å²	219	122.9 Å²	122.9	96%	0.961	69%	0.694	S	S	*	*			trans	-64.4	104	166.6	-67.6	-92.8	0	0	0	110.2
63	M	50.1	Low	45.9	Very low	188 Å²	188	127.3 Å²	127.3	93%	0.926	73%	0.725	S	S	*	*			trans	-120.5	125.9	153.3	-74	-173.2	82.4	0	0	108.9	G61	G61-M63 PolarHBondContact O-N 3.21Å; G61-M63 VanDerWaalsContact O-N 3.14Å
64	G	33	Very low	43.7	Very low	86 Å²	86	127.6 Å²	127.6	89%	0.887	74%	0.736	S	S	*	*			trans	5.8	124.1	168.6	0	0	0	0	0	120
65	G	34.4	Very low	42.1	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	77%	0.765	S	S	*	*			trans	-156.6	64.4	166.1	0	0	0	0	0	111.6
66	S	42.2	Very low	41	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	77%	0.774	S	S	*	*			trans	-55.2	140	165.6	-68	0	0	0	0	110.2
67	N	36.8	Very low	40.1	Very low	142 Å²	142	130.8 Å²	130.8	76%	0.759	79%	0.787	S	S	*	*			trans	73.4	109.5	169.4	-51.4	-41.6	0	0	0	116.5
68	R	39.7	Very low	39.1	Very low	234 Å²	234	130.7 Å²	130.7	88%	0.883	80%	0.796	S	S	*	*			trans	-153.5	60.6	133.2	-108.7	-176.6	-83.7	-171	-0.3	111.1
69	F	38	Very low	38.8	Very low	183 Å²	183	133.5 Å²	133.5	80%	0.803	80%	0.803	S	S	*	*	S	Bend	trans	-60.8	125.1	142.2	-174.3	138.6	0	0	0	105.8
70	L	42.8	Very low	38.6	Very low	116 Å²	116	132.4 Å²	132.4	61%	0.607	79%	0.792	S	S	*	*	S	Bend	trans	66.6	144.7	172.2	-96.9	44.8	0	0	0	118.6
71	Q	34.3	Very low	38.3	Very low	169 Å²	169	130.9 Å²	130.9	79%	0.79	78%	0.783	S	S	*	*			trans	63.6	118.6	174.4	-90	84.2	45.7	0	0	115
72	G	30.9	Very low	38.5	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	79%	0.787	S	S	*	*			cis	156	-158.7	45.9	0	0	0	0	0	109.3
73	P	38.7	Very low	39	Very low	125 Å²	125	129.3 Å²	129.3	81%	0.812	77%	0.771	S	S	*	*			trans	-85.5	161.4	-148	35.3	-33.4	0	0	0	115
74	A	33.8	Very low	39.5	Very low	84 Å²	84	124 Å²	124	69%	0.694	75%	0.752	S	S	*	*			trans	52.7	128.7	143.9	0	0	0	0	0	120.4
75	T	38.7	Very low	41.1	Very low	123 Å²	123	123.7 Å²	123.7	76%	0.755	73%	0.73	S	S	*	*			trans	89.5	112.2	144.4	66.7	0	0	0	0	119.4
76	H	38.2	Very low	42.7	Very low	195 Å²	195	129.6 Å²	129.6	90%	0.903	73%	0.728	S	S	*	*			trans	68.2	99.8	140.3	-74.3	-104.1	0	0	0	118.9
77	G	38.4	Very low	44	Very low	77 Å²	77	125.6 Å²	125.6	79%	0.794	70%	0.698	S	S	*	*			trans	-175.9	86.4	165.3	0	0	0	0	0	109.2	F79	G77-F79 PolarHBondContact O-N 2.78Å
78	T	34	Very low	45.8	Very low	141 Å²	141	122.5 Å²	122.5	87%	0.865	69%	0.687	S	S	*	*			trans	-43.4	102.7	-168.1	-45.5	0	0	0	0	116.8
79	F	40.2	Very low	47.5	Very low	185 Å²	185	111.3 Å²	111.3	81%	0.811	65%	0.645	S	S	*	*	S	Bend	trans	-141.9	121.5	139.9	-123.6	-94.3	0	0	0	106.5	G77 T81	G77-F79 PolarHBondContact O-N 2.78Å; F79-T81 PolarHBondContact O-N 2.97Å
80	G	37.3	Very low	49.2	Very low	62 Å²	62	106.1 Å²	106.1	64%	0.639	64%	0.643	S	S	*	*			trans	-58.2	127.5	-159.9	0	0	0	0	0	115.3
81	T	41.2	Very low	50.9	Low	97 Å²	97	104.8 Å²	104.8	60%	0.595	64%	0.636	S	S	*	*			trans	58.5	118.6	157.8	61	0	0	0	0	117.8	F79 Q83	F79-T81 PolarHBondContact O-N 2.97Å; T81-Q83 VanDerWaalsContact C-N 3.3Å; T81-Q83 WeakPolarHBondContact O-CG 3.37Å; T81-Q83 PolarHBondContact O-N 2.97Å; T81-Q83 VanDerWaalsContact OG1-CG 3.29Å; T81-Q83 WeakPolarHBondContact OG1-CG 3.47Å; T81-Q83 PolarHBondContact OG1-NE2 3.47Å
82	P	44.7	Very low	53	Low	120 Å²	120	98.9 Å²	98.9	78%	0.779	61%	0.613	S	S	*	*			trans	-76.2	82.2	170.7	32.5	-31.1	0	0	0	109.2	S84 S100	P82-S84 PolarHBondContact O-N 2.82Å; P82-S100 PolarHBondContact O-OG 2.88Å
83	Q	51	Low	55.2	Low	134 Å²	134	101.5 Å²	101.5	63%	0.626	61%	0.611	S	S	*	*			trans	-76.3	-1.8	-172.9	-46.7	-176.9	12.7	0	0	113.9	T81 P99 S100	T81-Q83 VanDerWaalsContact C-N 3.3Å; T81-Q83 WeakPolarHBondContact O-CG 3.37Å; T81-Q83 PolarHBondContact O-N 2.97Å; T81-Q83 VanDerWaalsContact OG1-CG 3.29Å; T81-Q83 WeakPolarHBondContact OG1-CG 3.47Å; T81-Q83 PolarHBondContact OG1-NE2 3.47Å; Q83-P99 VanDerWaalsContact O-CA 3.23Å; Q83-P99 WeakPolarHBondContact O-CA 3.35Å; Q83-S100 PolarHBondContact O-N 3.33Å
84	S	60.9	Low	56.9	Low	75 Å²	75	96.4 Å²	96.4	52%	0.524	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.2	129.2	-176.2	69.7	0	0	0	0	113	P82 I98	P82-S84 PolarHBondContact O-N 2.82Å; S84-I98 CarbonylContact C-O 3.6Å; S84-I98 WeakPolarHBondContact CA-O 3.43Å
85	L	66.3	Low	58.8	Low	81 Å²	81	96 Å²	96	42%	0.424	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.8	115.7	171.6	-179	65.3	0	0	0	108.2	L87 S97 I98 I128	L85-L87 HydrophobicContact CD2-CD2 3.53Å; L85-L87 HydrophobicContact CG-CD2 3.7Å; L85-L87 HydrophobicContact CG-CG 4.22Å; L85-S97 WeakPolarHBondContact O-CA 3.47Å; L85-I98 PolarHBondContact N-O 3.22Å; L85-I98 PolarHBondContact O-N 2.96Å; L85-I128 HydrophobicContact CD2-CD1 3.66Å
86	R	68	Low	60.6	Low	201 Å²	201	91 Å²	91	76%	0.758	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.2	177.6	-163	-175.5	-173.5	173.6	2.6	110.2	F96	R86-F96 WeakPolarHBondContact CA-O 3.4Å
87	L	69.7	Low	62.1	Low	27 Å²	27	85.6 Å²	85.6	14%	0.141	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.1	-175.4	29.8	74.2	0	0	0	110.2	L85 F96 I98 I128 V141	L85-L87 HydrophobicContact CD2-CD2 3.53Å; L85-L87 HydrophobicContact CG-CD2 3.7Å; L85-L87 HydrophobicContact CG-CG 4.22Å; L87-F96 HydrophobicContact CD1-CD1 3.8Å; L87-F96 HydrophobicContact CD1-CD2 3.69Å; L87-F96 HydrophobicContact CD1-CE1 3.4Å; L87-F96 HydrophobicContact CD1-CE2 3.31Å; L87-F96 HydrophobicContact CD1-CG 3.94Å; L87-F96 HydrophobicContact CD1-CZ 3.15Å; L87-F96 PolarHBondContact N-O 3.45Å; L87-F96 WeakPolarHBondContact O-CD1 3.46Å; L87-F96 PolarHBondContact O-N 2.68Å; L87-F96 VanDerWaalsContact O-O 3.09Å; L87-I98 HydrophobicContact CD1-CD1 3.74Å; L87-I98 HydrophobicContact CD1-CG1 4.04Å; L87-I98 HydrophobicContact CD2-CD1 4.09Å; L87-I98 HydrophobicContact CG-CD1 4.42Å; L87-I128 HydrophobicContact CD2-CD1 3.92Å; L87-V141 HydrophobicContact CD2-CG2 3.87Å
88	S	75.6	Confident	63.5	Low	76 Å²	76	84 Å²	84	53%	0.531	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.7	-180	-59.6	0	0	0	0	109.6	G90	S88-G90 PolarHBondContact O-N 3.07Å
89	C	75.9	Confident	65	Low	0 Å²	0	82 Å²	82	0%	0	48%	0.483	C	S	.	.			trans	-67.2	123.9	175.7	176.9	0	0	0	0	110.5	N91 C92 N93 S94 F96 C132	C89-N91 PolarHBondContact O-N 3.44Å; C89-N91 PolarHBondContact SG-N 2.92Å; C89-C92 WeakPolarHBondContact CB-SG 3.25Å; C89-C92 PolarHBondContact O-N 3.19Å; C89-C92 PolarHBondContact SG-SG 3.25Å; C89-N93 WeakPolarHBondContact O-CA 3.49Å; C89-N93 PolarHBondContact O-N 2.96Å; C89-N93 PolarHBondContact O-OD1 3.19Å; C89-S94 PolarHBondContact N-O 2.98Å; C89-S94 VanDerWaalsContact N-O 3.08Å; C89-F96 HydrophobicContact CB-CE1 4.11Å; C89-C132 HydrophobicContact CB-CB 4.1Å; C89-C132 VanDerWaalsContact CB-SG 3.56Å
90	G	73.5	Confident	65.9	Low	73 Å²	73	75.7 Å²	75.7	75%	0.753	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-5.8	179	0	0	0	0	0	115.7	S88	S88-G90 PolarHBondContact O-N 3.07Å
91	N	78.5	Confident	66.8	Low	88 Å²	88	77 Å²	77	47%	0.471	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-32.4	179.3	-168	100.1	0	0	0	113.5	C89 K137	C89-N91 PolarHBondContact O-N 3.44Å; C89-N91 PolarHBondContact SG-N 2.92Å; N91-K137 HydrophobicContact CB-CD 4.3Å; N91-K137 WeakPolarHBondContact OD1-CD 3.32Å; N91-K137 PolarHBondContact OD1-NZ 3.47Å
92	C	78.6	Confident	67.4	Low	46 Å²	46	80.3 Å²	80.3	31%	0.311	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	1.5	-179.7	56.6	0	0	0	0	114.2	C89 S94 C135	C89-C92 WeakPolarHBondContact CB-SG 3.25Å; C89-C92 PolarHBondContact O-N 3.19Å; C89-C92 PolarHBondContact SG-SG 3.25Å; C92-S94 PolarHBondContact O-N 2.91Å; C92-S94 PolarHBondContact SG-OG 3.03Å; C92-C135 WeakPolarHBondContact CB-SG 3.49Å; C92-C135 PolarHBondContact SG-SG 3.17Å
93	N	76.2	Confident	67.7	Low	122 Å²	122	80.2 Å²	80.2	65%	0.652	47%	0.47	S	S	*	.			trans	51.8	16.3	-179	-64.6	-0.7	0	0	0	114.7	C89	C89-N93 WeakPolarHBondContact O-CA 3.49Å; C89-N93 PolarHBondContact O-N 2.96Å; C89-N93 PolarHBondContact O-OD1 3.19Å
94	S	74	Confident	67.6	Low	17 Å²	17	81.9 Å²	81.9	12%	0.119	48%	0.477	C	S	.	.			trans	-74.6	128	176.7	55.8	0	0	0	0	109.8	C89 C92 H134	C89-S94 PolarHBondContact N-O 2.98Å; C89-S94 VanDerWaalsContact N-O 3.08Å; C92-S94 PolarHBondContact O-N 2.91Å; C92-S94 PolarHBondContact SG-OG 3.03Å; S94-H134 WeakPolarHBondContact CB-CD2 3.32Å; S94-H134 PolarHBondContact OG-CD2 3.27Å
95	P	73.5	Confident	66.8	Low	75 Å²	75	84 Å²	84	49%	0.487	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.5	175.5	30	-32.5	0	0	0	109.4
96	F	76.2	Confident	65.9	Low	20 Å²	20	87.5 Å²	87.5	9%	0.088	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.4	172.8	68.1	-76.2	0	0	0	110.8	R86 L87 C89 I98 A130 P133	R86-F96 WeakPolarHBondContact CA-O 3.4Å; L87-F96 HydrophobicContact CD1-CD1 3.8Å; L87-F96 HydrophobicContact CD1-CD2 3.69Å; L87-F96 HydrophobicContact CD1-CE1 3.4Å; L87-F96 HydrophobicContact CD1-CE2 3.31Å; L87-F96 HydrophobicContact CD1-CG 3.94Å; L87-F96 HydrophobicContact CD1-CZ 3.15Å; L87-F96 PolarHBondContact N-O 3.45Å; L87-F96 WeakPolarHBondContact O-CD1 3.46Å; L87-F96 PolarHBondContact O-N 2.68Å; L87-F96 VanDerWaalsContact O-O 3.09Å; C89-F96 HydrophobicContact CB-CE1 4.11Å; F96-I98 HydrophobicContact CD2-CD1 4.24Å; F96-I98 HydrophobicContact CD2-CG1 3.69Å; F96-I98 HydrophobicContact CE2-CD1 3.53Å; F96-I98 HydrophobicContact CE2-CG1 3.5Å; F96-I98 HydrophobicContact CZ-CD1 4.3Å; F96-A130 HydrophobicContact CE2-CB 4.02Å; F96-A130 HydrophobicContact CZ-CB 4.1Å; F96-P133 HydrophobicContact CB-CG 4.19Å
97	S	70.5	Confident	64.8	Low	81 Å²	81	81.4 Å²	81.4	57%	0.566	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.2	176.9	51.9	0	0	0	0	108.4	L85	L85-S97 WeakPolarHBondContact O-CA 3.47Å
98	I	68.1	Low	64	Low	42 Å²	42	91.6 Å²	91.6	22%	0.215	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.5	174.6	-49.7	168.6	0	0	0	106.3	S84 L85 L87 F96 S100 I128 A130	S84-I98 CarbonylContact C-O 3.6Å; S84-I98 WeakPolarHBondContact CA-O 3.43Å; L85-I98 PolarHBondContact N-O 3.22Å; L85-I98 PolarHBondContact O-N 2.96Å; L87-I98 HydrophobicContact CD1-CD1 3.74Å; L87-I98 HydrophobicContact CD1-CG1 4.04Å; L87-I98 HydrophobicContact CD2-CD1 4.09Å; L87-I98 HydrophobicContact CG-CD1 4.42Å; F96-I98 HydrophobicContact CD2-CD1 4.24Å; F96-I98 HydrophobicContact CD2-CG1 3.69Å; F96-I98 HydrophobicContact CE2-CD1 3.53Å; F96-I98 HydrophobicContact CE2-CG1 3.5Å; F96-I98 HydrophobicContact CZ-CD1 4.3Å; I98-S100 PolarHBondContact O-N 3.31Å; I98-I128 HydrophobicContact CD1-CD1 4.13Å; I98-A130 HydrophobicContact CD1-CB 3.3Å
99	P	64.5	Low	62.9	Low	100 Å²	100	95.4 Å²	95.4	65%	0.649	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-54.8	132.1	169.4	23.7	-32.6	0	0	0	109.3	Q83	Q83-P99 VanDerWaalsContact O-CA 3.23Å; Q83-P99 WeakPolarHBondContact O-CA 3.35Å
100	S	59.3	Low	61.9	Low	53 Å²	53	100.1 Å²	100.1	37%	0.371	58%	0.577	S	S	.	*			trans	-55.3	126.2	176.2	49.1	0	0	0	0	108.8	P82 Q83 I98 E102	P82-S100 PolarHBondContact O-OG 2.88Å; Q83-S100 PolarHBondContact O-N 3.33Å; I98-S100 PolarHBondContact O-N 3.31Å; S100-E102 PolarHBondContact O-N 2.89Å
101	P	56.3	Low	60.9	Low	89 Å²	89	100.1 Å²	100.1	58%	0.578	57%	0.57	S	S	*	*			trans	-62.4	111.5	177.3	25.2	-32.3	0	0	0	108.4	S103 I128	P101-S103 PolarHBondContact O-N 2.86Å; P101-I128 HydrophobicContact CG-CG2 4.39Å
102	E	53.5	Low	59.7	Low	167 Å²	167	103.5 Å²	103.5	78%	0.78	58%	0.581	S	S	*	*			trans	-51.9	121.4	168.3	57	-157.7	95.8	0	0	108.8	S100 H104	S100-E102 PolarHBondContact O-N 2.89Å; E102-H104 PolarHBondContact O-N 2.88Å
103	S	52.1	Low	58.6	Low	118 Å²	118	104.7 Å²	104.7	83%	0.825	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	26.4	-166.6	-47.4	0	0	0	0	114.1	P101	P101-S103 PolarHBondContact O-N 2.86Å
104	H	47.9	Very low	57.4	Low	168 Å²	168	100.8 Å²	100.8	78%	0.778	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	0.7	-164.1	-81.5	-99.4	0	0	0	115.8	E102	E102-H104 PolarHBondContact O-N 2.88Å
105	S	45.4	Very low	56.5	Low	121 Å²	121	107 Å²	107	85%	0.846	60%	0.603	S	S	*	*			trans	-156.3	38.2	179.1	-138.1	0	0	0	0	116.7	G107	S105-G107 PolarHBondContact O-N 2.97Å
106	F	47.3	Very low	55.6	Low	154 Å²	154	109.7 Å²	109.7	68%	0.675	61%	0.612	S	S	*	*			trans	-91.7	42	173.2	-158.1	-98.9	0	0	0	112
107	G	44.5	Very low	54.6	Low	73 Å²	73	112.3 Å²	112.3	75%	0.753	63%	0.633	S	S	*	*			trans	-100.1	20.2	-162.7	0	0	0	0	0	116.8	S105	S105-G107 PolarHBondContact O-N 2.97Å
108	R	53.4	Low	53.7	Low	240 Å²	240	112.5 Å²	112.5	91%	0.906	65%	0.647	S	S	*	*	S	Bend	trans	-147.7	-5.6	-174.4	-120.3	170.9	175.6	161.4	-1.9	119.4
109	M	51.8	Low	52.5	Low	157 Å²	157	118.2 Å²	118.2	77%	0.773	67%	0.667	S	S	*	*	S	Bend	trans	-127.3	109.7	179.2	-72.5	174.2	171.9	0	0	108.6
110	N	55	Low	51.9	Low	99 Å²	99	118.8 Å²	118.8	53%	0.529	66%	0.664	S	S	.	*			trans	120.7	21.6	175	-62.7	-6	0	0	0	116.1	F112 T113 A114	N110-F112 PolarHBondContact O-N 3.23Å; N110-T113 WeakPolarHBondContact CB-OG1 3.39Å; N110-T113 PolarHBondContact O-N 3.47Å; N110-T113 PolarHBondContact O-OG1 3.29Å; N110-A114 WeakPolarHBondContact O-CB 3.4Å; N110-A114 PolarHBondContact O-N 3.21Å
111	A	52.1	Low	51.4	Low	72 Å²	72	121.1 Å²	121.1	60%	0.595	68%	0.678	S	S	*	*	H	α-helix	trans	-56.2	-38.1	168.6	0	0	0	0	0	112.1	A114 L115	A111-A114 PolarHBondContact O-N 3.08Å; A111-L115 WeakPolarHBondContact O-CB 3.29Å; A111-L115 VanDerWaalsContact O-CG 3.25Å; A111-L115 WeakPolarHBondContact O-CG 3.2Å; A111-L115 PolarHBondContact O-N 2.87Å
112	F	54.5	Low	51	Low	160 Å²	160	120.8 Å²	120.8	70%	0.702	68%	0.678	S	S	*	*	H	α-helix	trans	-66.8	-40.2	-179.5	-165.1	-101	0	0	0	113	N110 L116	N110-F112 PolarHBondContact O-N 3.23Å; F112-L116 HydrophobicContact CD1-CD1 3.95Å; F112-L116 HydrophobicContact CE1-CD1 3.62Å; F112-L116 HydrophobicContact CZ-CD1 4.16Å; F112-L116 WeakPolarHBondContact O-CG 3.21Å; F112-L116 PolarHBondContact O-N 2.94Å
113	T	54.5	Low	50.7	Low	70 Å²	70	116.6 Å²	116.6	43%	0.429	66%	0.661	S	S	.	*	H	α-helix	trans	-80.4	-25.4	178.2	38.3	0	0	0	0	113	N110 S117	N110-T113 WeakPolarHBondContact CB-OG1 3.39Å; N110-T113 PolarHBondContact O-N 3.47Å; N110-T113 PolarHBondContact O-OG1 3.29Å; T113-S117 WeakPolarHBondContact O-CB 3.29Å; T113-S117 PolarHBondContact O-N 3.16Å; T113-S117 PolarHBondContact O-OG 3.28Å
114	A	51.7	Low	50.6	Low	41 Å²	41	113.9 Å²	113.9	34%	0.339	65%	0.645	S	S	.	*	H	α-helix	trans	-71.4	-36.7	171.9	0	0	0	0	0	112.5	N110 A111	N110-A114 WeakPolarHBondContact O-CB 3.4Å; N110-A114 PolarHBondContact O-N 3.21Å; A111-A114 PolarHBondContact O-N 3.08Å
115	L	54	Low	50.9	Low	148 Å²	148	110 Å²	110	78%	0.775	64%	0.642	S	S	*	*	H	α-helix	trans	-68.9	-38.3	176.6	-73.4	169.3	0	0	0	112.4	A111 S117	A111-L115 WeakPolarHBondContact O-CB 3.29Å; A111-L115 VanDerWaalsContact O-CG 3.25Å; A111-L115 WeakPolarHBondContact O-CG 3.2Å; A111-L115 PolarHBondContact O-N 2.87Å; L115-S117 PolarHBondContact O-N 2.86Å
116	L	55.7	Low	51.4	Low	130 Å²	130	104.8 Å²	104.8	68%	0.681	61%	0.608	S	S	*	*	H	α-helix	trans	-77.4	-17.4	-179.2	-67.2	171.7	0	0	0	114	F112	F112-L116 HydrophobicContact CD1-CD1 3.95Å; F112-L116 HydrophobicContact CE1-CD1 3.62Å; F112-L116 HydrophobicContact CZ-CD1 4.16Å; F112-L116 WeakPolarHBondContact O-CG 3.21Å; F112-L116 PolarHBondContact O-N 2.94Å
117	S	54.5	Low	51.8	Low	76 Å²	76	101.9 Å²	101.9	53%	0.531	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.1	1	-172.2	-59.1	0	0	0	0	115	T113 L115 R119	T113-S117 WeakPolarHBondContact O-CB 3.29Å; T113-S117 PolarHBondContact O-N 3.16Å; T113-S117 PolarHBondContact O-OG 3.28Å; L115-S117 PolarHBondContact O-N 2.86Å; S117-R119 WeakPolarHBondContact O-CB 3.35Å; S117-R119 PolarHBondContact O-N 3.47Å
118	G	51.6	Low	52.6	Low	84 Å²	84	100.7 Å²	100.7	87%	0.866	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.5	16.5	176.9	0	0	0	0	0	114.9
119	R	43.4	Very low	53.2	Low	163 Å²	163	94 Å²	94	62%	0.615	56%	0.56	S	S	*	*	S	Bend	trans	-129.3	127.2	-163.6	-170.6	168.5	177.7	163.6	0.4	109.5	S117	S117-R119 WeakPolarHBondContact O-CB 3.35Å; S117-R119 PolarHBondContact O-N 3.47Å
120	N	51.1	Low	53.9	Low	111 Å²	111	87 Å²	87	59%	0.594	53%	0.528	S	S	*	.			trans	-38.8	128.5	-177.3	-138.5	-68.7	0	0	0	112.5	S122 N123	N120-S122 WeakPolarHBondContact CB-OG 3.4Å; N120-S122 PolarHBondContact O-N 2.97Å; N120-S122 PolarHBondContact OD1-OG 3.4Å; N120-N123 PolarHBondContact O-N 3.36Å
121	P	49.4	Very low	54.8	Low	102 Å²	102	91 Å²	91	66%	0.662	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-58.1	-14.1	-176.1	22.2	-33.7	0	0	0	114.1	N123 A124	P121-N123 PolarHBondContact O-N 2.77Å; P121-A124 PolarHBondContact O-N 3.5Å
122	S	47.2	Very low	56	Low	83 Å²	83	87.6 Å²	87.6	58%	0.58	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-65	-12.2	172.9	39	0	0	0	0	115.1	N120	N120-S122 WeakPolarHBondContact CB-OG 3.4Å; N120-S122 PolarHBondContact O-N 2.97Å; N120-S122 PolarHBondContact OD1-OG 3.4Å
123	N	47.5	Very low	57.1	Low	79 Å²	79	83.9 Å²	83.9	42%	0.422	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-107.5	0.8	-179.7	-66.8	-80	0	0	0	114.8	N120 P121	N120-N123 PolarHBondContact O-N 3.36Å; P121-N123 PolarHBondContact O-N 2.77Å
124	A	50.5	Low	58.3	Low	60 Å²	60	86.5 Å²	86.5	50%	0.496	51%	0.506	S	S	.	.			trans	-88.2	2.9	-175.7	0	0	0	0	0	114.3	P121 G126	P121-A124 PolarHBondContact O-N 3.5Å; A124-G126 PolarHBondContact O-N 3.38Å
125	A	54.3	Low	59.6	Low	87 Å²	87	87.1 Å²	87.1	72%	0.719	51%	0.508	S	S	*	.			trans	-74.2	28.5	-174.2	0	0	0	0	0	115.5
126	G	54.6	Low	60.7	Low	12 Å²	12	86.8 Å²	86.8	12%	0.124	50%	0.502	C	S	.	.			trans	-100.7	3.8	-158.6	0	0	0	0	0	117.9	A124 G142 A144	A124-G126 PolarHBondContact O-N 3.38Å; G126-G142 WeakPolarHBondContact O-CA 3.2Å; G126-A144 VanDerWaalsContact O-CB 3.29Å; G126-A144 WeakPolarHBondContact O-CB 3.12Å
127	L	56.4	Low	61.8	Low	92 Å²	92	86.2 Å²	86.2	48%	0.482	49%	0.494	S	S	.	.			trans	-126.1	89.8	178.9	-162.4	77.6	0	0	0	110.1	T129 A144	L127-T129 HydrophobicContact CD2-CG2 4.17Å; L127-T129 HydrophobicContact CG-CG2 4.27Å; L127-A144 HydrophobicContact CB-CB 3.88Å; L127-A144 HydrophobicContact CD1-CB 3.75Å; L127-A144 HydrophobicContact CG-CB 4.4Å
128	I	61.7	Low	62.4	Low	48 Å²	48	86.6 Å²	86.6	25%	0.246	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.8	162.9	56.2	144.1	0	0	0	108	L85 L87 I98 P101 A130 V141	L85-I128 HydrophobicContact CD2-CD1 3.66Å; L87-I128 HydrophobicContact CD2-CD1 3.92Å; I98-I128 HydrophobicContact CD1-CD1 4.13Å; P101-I128 HydrophobicContact CG-CG2 4.39Å; I128-A130 PolarHBondContact O-N 2.82Å; I128-V141 HydrophobicContact CD1-CG2 3.45Å; I128-V141 VanDerWaalsContact CD1-CG2 3.45Å; I128-V141 HydrophobicContact CG1-CG2 3.59Å; I128-V141 WeakPolarHBondContact CG1-O 3.28Å
129	T	66	Low	63	Low	99 Å²	99	83.5 Å²	83.5	61%	0.607	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	97.5	170.3	58.3	0	0	0	0	107.8	L127	L127-T129 HydrophobicContact CD2-CG2 4.17Å; L127-T129 HydrophobicContact CG-CG2 4.27Å
130	A	66.4	Low	63.7	Low	11 Å²	11	78.5 Å²	78.5	9%	0.091	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133	173.1	0	0	0	0	0	109.7	F96 I98 I128 T139	F96-A130 HydrophobicContact CE2-CB 4.02Å; F96-A130 HydrophobicContact CZ-CB 4.1Å; I98-A130 HydrophobicContact CD1-CB 3.3Å; I128-A130 PolarHBondContact O-N 2.82Å; A130-T139 PolarHBondContact N-O 3.39Å; A130-T139 PolarHBondContact O-N 3.03Å; A130-T139 PolarHBondContact O-OG1 2.77Å
131	R	73.9	Confident	63.9	Low	183 Å²	183	75.4 Å²	75.4	69%	0.691	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.6	165.7	-71.2	-177.3	-180	-177.9	-0.9	107.9	V138	R131-V138 HydrophobicContact CG-CG2 4.31Å
132	C	77.2	Confident	64.4	Low	1 Å²	1	72 Å²	72	1%	0.007	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-67	126.8	174.8	178.3	0	0	0	0	109.7	C89 H134 C135 H136 K137	C89-C132 HydrophobicContact CB-CB 4.1Å; C89-C132 VanDerWaalsContact CB-SG 3.56Å; C132-H134 PolarHBondContact O-N 3.15Å; C132-H134 PolarHBondContact SG-N 3.46Å; C132-H134 VanDerWaalsContact SG-N 3.44Å; C132-C135 PolarHBondContact O-N 2.82Å; C132-H136 VanDerWaalsContact O-CA 3.29Å; C132-H136 WeakPolarHBondContact O-CA 3.15Å; C132-H136 PolarHBondContact O-N 2.93Å; C132-K137 PolarHBondContact N-O 3.35Å; C132-K137 VanDerWaalsContact N-O 3.16Å
133	P	77.7	Confident	64.9	Low	81 Å²	81	72 Å²	72	53%	0.526	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.1	178.5	27.5	-34.6	0	0	0	113.4	F96	F96-P133 HydrophobicContact CB-CG 4.19Å
134	H	79	Confident	65.2	Low	125 Å²	125	69.4 Å²	69.4	58%	0.579	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-35.8	179.4	-63.5	-79.3	0	0	0	113.4	S94 C132	S94-H134 WeakPolarHBondContact CB-CD2 3.32Å; S94-H134 PolarHBondContact OG-CD2 3.27Å; C132-H134 PolarHBondContact O-N 3.15Å; C132-H134 PolarHBondContact SG-N 3.46Å; C132-H134 VanDerWaalsContact SG-N 3.44Å
135	C	80.1	Confident	65.5	Low	54 Å²	54	72.1 Å²	72.1	37%	0.365	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-5.2	-174.3	-67.6	0	0	0	0	114.4	C92 C132 K137	C92-C135 WeakPolarHBondContact CB-SG 3.49Å; C92-C135 PolarHBondContact SG-SG 3.17Å; C132-C135 PolarHBondContact O-N 2.82Å; C135-K137 HydrophobicContact CB-CB 4.35Å; C135-K137 PolarHBondContact O-N 2.9Å
136	H	76.6	Confident	65.9	Low	142 Å²	142	71.4 Å²	71.4	66%	0.657	40%	0.398	S	S	*	.			trans	54.9	0.8	-172.3	-81.4	-108.6	0	0	0	115.6	C132	C132-H136 VanDerWaalsContact O-CA 3.29Å; C132-H136 WeakPolarHBondContact O-CA 3.15Å; C132-H136 PolarHBondContact O-N 2.93Å
137	K	78.2	Confident	66.4	Low	117 Å²	117	74.7 Å²	74.7	51%	0.509	41%	0.407	S	S	.	.			trans	-72.1	133.1	177.4	-156.3	163.2	-179.9	-175.9	0	109.1	N91 C132 C135 T139	N91-K137 HydrophobicContact CB-CD 4.3Å; N91-K137 WeakPolarHBondContact OD1-CD 3.32Å; N91-K137 PolarHBondContact OD1-NZ 3.47Å; C132-K137 PolarHBondContact N-O 3.35Å; C132-K137 VanDerWaalsContact N-O 3.16Å; C135-K137 HydrophobicContact CB-CB 4.35Å; C135-K137 PolarHBondContact O-N 2.9Å; K137-T139 PolarHBondContact O-N 3.44Å
138	V	68.6	Low	66.9	Low	85 Å²	85	72.9 Å²	72.9	52%	0.515	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	115.9	176.4	-164.9	0	0	0	0	107.1	R131	R131-V138 HydrophobicContact CG-CG2 4.31Å
139	T	63.1	Low	67.5	Low	19 Å²	19	75.3 Å²	75.3	12%	0.117	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.9	172.9	57	0	0	0	0	107.4	A130 K137 V141	A130-T139 PolarHBondContact N-O 3.39Å; A130-T139 PolarHBondContact O-N 3.03Å; A130-T139 PolarHBondContact O-OG1 2.77Å; K137-T139 PolarHBondContact O-N 3.44Å; T139-V141 PolarHBondContact O-N 3.28Å
140	S	58.2	Low	68.2	Low	58 Å²	58	77.5 Å²	77.5	41%	0.406	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	100.6	168.8	42.3	0	0	0	0	108
141	V	56	Low	68.9	Low	45 Å²	45	80.7 Å²	80.7	27%	0.273	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.3	174	-66.9	0	0	0	0	107.1	L87 I128 T139	L87-V141 HydrophobicContact CD2-CG2 3.87Å; I128-V141 HydrophobicContact CD1-CG2 3.45Å; I128-V141 VanDerWaalsContact CD1-CG2 3.45Å; I128-V141 HydrophobicContact CG1-CG2 3.59Å; I128-V141 WeakPolarHBondContact CG1-O 3.28Å; T139-V141 PolarHBondContact O-N 3.28Å
142	G	59.1	Low	69.4	Low	31 Å²	31	73.7 Å²	73.7	32%	0.32	41%	0.412	S	S	.	.	S	Bend	trans	163.1	156.5	171.7	0	0	0	0	0	114.2	G126 A144 F145	G126-G142 WeakPolarHBondContact O-CA 3.2Å; G142-A144 PolarHBondContact O-N 2.96Å; G142-F145 PolarHBondContact O-N 3.5Å; G142-F145 VanDerWaalsContact O-N 3.15Å
143	P	57.1	Low	69.9	Low	82 Å²	82	81.9 Å²	81.9	53%	0.532	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-10.5	176.7	21.2	-29.2	0	0	0	112.7	F145 R147	P143-F145 VanDerWaalsContact C-N 3.32Å; P143-F145 PolarHBondContact O-N 3.08Å; P143-R147 WeakPolarHBondContact O-CB 3.39Å; P143-R147 WeakPolarHBondContact O-CG 3.48Å; P143-R147 PolarHBondContact O-N 3.08Å; P143-R147 PolarHBondContact O-NE 3.25Å
144	A	54.1	Low	70.4	Confident	25 Å²	25	80.4 Å²	80.4	21%	0.207	44%	0.436	C	S	.	.	H	α-helix	trans	-63.3	-28.9	173.2	0	0	0	0	0	114.3	G126 L127 G142 R147 A148	G126-A144 VanDerWaalsContact O-CB 3.29Å; G126-A144 WeakPolarHBondContact O-CB 3.12Å; L127-A144 HydrophobicContact CB-CB 3.88Å; L127-A144 HydrophobicContact CD1-CB 3.75Å; L127-A144 HydrophobicContact CG-CB 4.4Å; G142-A144 PolarHBondContact O-N 2.96Å; A144-R147 CarbonylContact O-C 3.55Å; A144-R147 PolarHBondContact O-N 3.43Å; A144-A148 WeakPolarHBondContact O-CB 3.28Å; A144-A148 PolarHBondContact O-N 3.46Å
145	F	56.7	Low	71.1	Confident	118 Å²	118	78.2 Å²	78.2	52%	0.518	43%	0.431	S	S	.	.	H	α-helix	trans	-71.1	-47.5	-178.3	-175.4	-103.3	0	0	0	112.7	G142 P143 R147 A148 H149	G142-F145 PolarHBondContact O-N 3.5Å; G142-F145 VanDerWaalsContact O-N 3.15Å; P143-F145 VanDerWaalsContact C-N 3.32Å; P143-F145 PolarHBondContact O-N 3.08Å; F145-R147 PolarHBondContact O-N 3.33Å; F145-A148 PolarHBondContact O-N 2.9Å; F145-H149 AromaticContact CE1-CE1 3.57Å; F145-H149 AromaticContact CZ-CE1 3.48Å; F145-H149 VanDerWaalsContact CZ-CE1 3.48Å; F145-H149 WeakPolarHBondContact CZ-CE1 3.16Å
146	A	62.4	Low	71.7	Confident	72 Å²	72	81 Å²	81	60%	0.595	44%	0.441	S	S	*	.	H	α-helix	trans	-60	-32	170.1	0	0	0	0	0	110.8
147	R	65.3	Low	72.5	Confident	80 Å²	80	76.5 Å²	76.5	30%	0.302	43%	0.429	S	S	.	.	H	α-helix	trans	-74.5	-34.8	-179.2	-67.3	-178.7	-70.5	-164.2	9.4	114.6	P143 A144 F145 H149 W150 I151	P143-R147 WeakPolarHBondContact O-CB 3.39Å; P143-R147 WeakPolarHBondContact O-CG 3.48Å; P143-R147 PolarHBondContact O-N 3.08Å; P143-R147 PolarHBondContact O-NE 3.25Å; A144-R147 CarbonylContact O-C 3.55Å; A144-R147 PolarHBondContact O-N 3.43Å; F145-R147 PolarHBondContact O-N 3.33Å; R147-H149 VanDerWaalsContact C-N 3.29Å; R147-H149 PolarHBondContact O-N 2.82Å; R147-W150 VanDerWaalsContact CB-NE1 3.25Å; R147-W150 VanDerWaalsContact CG-NE1 3.31Å; R147-W150 PolarHBondContact O-N 3.33Å; R147-W150 PolarHBondContact O-NE1 3.19Å; R147-W150 VanDerWaalsContact O-NE1 3.08Å; R147-I151 HydrophobicContact CB-CD1 4.33Å; R147-I151 VanDerWaalsContact O-CD1 3.28Å; R147-I151 WeakPolarHBondContact O-CD1 3.15Å; R147-I151 WeakPolarHBondContact O-CG1 3.47Å; R147-I151 PolarHBondContact O-N 3.23Å; R147-I151 VanDerWaalsContact O-N 3.08Å
148	A	67.5	Low	73.3	Confident	55 Å²	55	75.2 Å²	75.2	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-61.1	-37.8	-179.8	0	0	0	0	0	112.5	A144 F145 G152	A144-A148 WeakPolarHBondContact O-CB 3.28Å; A144-A148 PolarHBondContact O-N 3.46Å; F145-A148 PolarHBondContact O-N 2.9Å; A148-G152 PolarHBondContact O-N 3.34Å
149	H	74.8	Confident	74.7	Confident	98 Å²	98	75.2 Å²	75.2	45%	0.454	42%	0.423	S	S	.	.	H	α-helix	trans	-67	-48	179.8	-62	134.6	0	0	0	112.5	F145 R147 I151 G152 Y153	F145-H149 AromaticContact CE1-CE1 3.57Å; F145-H149 AromaticContact CZ-CE1 3.48Å; F145-H149 VanDerWaalsContact CZ-CE1 3.48Å; F145-H149 WeakPolarHBondContact CZ-CE1 3.16Å; R147-H149 VanDerWaalsContact C-N 3.29Å; R147-H149 PolarHBondContact O-N 2.82Å; H149-I151 VanDerWaalsContact C-N 3.32Å; H149-I151 PolarHBondContact O-N 2.82Å; H149-G152 PolarHBondContact O-N 3Å; H149-Y153 HydrophobicContact CB-CE2 4.44Å; H149-Y153 WeakPolarHBondContact O-CD2 3.48Å; H149-Y153 PolarHBondContact O-N 3Å
150	W	79.7	Confident	76.2	Confident	146 Å²	146	77 Å²	77	55%	0.553	44%	0.44	S	S	*	.	H	α-helix	trans	-68.1	-32.7	178.2	73.7	-95.2	0	0	0	112.3	R147 G152 Y153 S154	R147-W150 VanDerWaalsContact CB-NE1 3.25Å; R147-W150 VanDerWaalsContact CG-NE1 3.31Å; R147-W150 PolarHBondContact O-N 3.33Å; R147-W150 PolarHBondContact O-NE1 3.19Å; R147-W150 VanDerWaalsContact O-NE1 3.08Å; W150-G152 VanDerWaalsContact C-N 3.34Å; W150-Y153 PolarHBondContact O-N 3.44Å; W150-S154 WeakPolarHBondContact O-CB 3.4Å; W150-S154 PolarHBondContact O-N 3.48Å
151	I	80.8	Confident	78	Confident	78 Å²	78	79 Å²	79	40%	0.4	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-45.5	173.2	-66.1	162.1	0	0	0	109.7	R147 H149 S154 V155	R147-I151 HydrophobicContact CB-CD1 4.33Å; R147-I151 VanDerWaalsContact O-CD1 3.28Å; R147-I151 WeakPolarHBondContact O-CD1 3.15Å; R147-I151 WeakPolarHBondContact O-CG1 3.47Å; R147-I151 PolarHBondContact O-N 3.23Å; R147-I151 VanDerWaalsContact O-N 3.08Å; H149-I151 VanDerWaalsContact C-N 3.32Å; H149-I151 PolarHBondContact O-N 2.82Å; I151-S154 PolarHBondContact O-N 3.22Å; I151-V155 WeakPolarHBondContact O-CG2 3.04Å; I151-V155 PolarHBondContact O-N 3.04Å
152	G	84.6	Confident	79.9	Confident	35 Å²	35	81.8 Å²	81.8	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-58.8	-50.5	176.2	0	0	0	0	0	112.9	A148 H149 W150 S154 V155 L156	A148-G152 PolarHBondContact O-N 3.34Å; H149-G152 PolarHBondContact O-N 3Å; W150-G152 VanDerWaalsContact C-N 3.34Å; G152-S154 VanDerWaalsContact C-N 3.31Å; G152-S154 PolarHBondContact O-N 2.95Å; G152-V155 PolarHBondContact O-N 2.92Å; G152-L156 PolarHBondContact O-N 3.14Å; G152-L156 VanDerWaalsContact O-N 3.14Å
153	Y	88.7	Confident	81.7	Confident	174 Å²	174	85 Å²	85	68%	0.682	47%	0.466	S	S	*	.	H	α-helix	trans	-63.6	-35.8	176.3	-70	-63.6	0	0	0	112.8	H149 W150 L156 A157	H149-Y153 HydrophobicContact CB-CE2 4.44Å; H149-Y153 WeakPolarHBondContact O-CD2 3.48Å; H149-Y153 PolarHBondContact O-N 3Å; W150-Y153 PolarHBondContact O-N 3.44Å; Y153-L156 PolarHBondContact O-N 3.5Å; Y153-A157 WeakPolarHBondContact O-CB 3.28Å; Y153-A157 PolarHBondContact O-N 3.42Å
154	S	88.3	Confident	83.5	Confident	50 Å²	50	83.6 Å²	83.6	35%	0.35	46%	0.462	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.5	-178.9	0	0	0	0	111.9	W150 I151 G152 A157 I158	W150-S154 WeakPolarHBondContact O-CB 3.4Å; W150-S154 PolarHBondContact O-N 3.48Å; I151-S154 PolarHBondContact O-N 3.22Å; G152-S154 VanDerWaalsContact C-N 3.31Å; G152-S154 PolarHBondContact O-N 2.95Å; S154-A157 PolarHBondContact O-N 3.26Å; S154-I158 VanDerWaalsContact O-CG1 3.28Å; S154-I158 WeakPolarHBondContact O-CG1 3.39Å; S154-I158 PolarHBondContact O-N 3.26Å
155	V	92.2	Very high	85.4	Confident	78 Å²	78	87.5 Å²	87.5	47%	0.473	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-45.2	175.5	172.7	0	0	0	0	111	I151 G152 A157 I158 I159	I151-V155 WeakPolarHBondContact O-CG2 3.04Å; I151-V155 PolarHBondContact O-N 3.04Å; G152-V155 PolarHBondContact O-N 2.92Å; V155-A157 VanDerWaalsContact C-N 3.32Å; V155-A157 PolarHBondContact O-N 3.32Å; V155-I158 PolarHBondContact O-N 3.01Å; V155-I159 HydrophobicContact CG1-CD1 3.94Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 2.94Å
156	L	93.1	Very high	87.1	Confident	112 Å²	112	85.2 Å²	85.2	59%	0.586	48%	0.476	S	S	*	.	H	α-helix	trans	-60.8	-40.7	176.8	-71	173.5	0	0	0	112.2	G152 Y153 I159 A160	G152-L156 PolarHBondContact O-N 3.14Å; G152-L156 VanDerWaalsContact O-N 3.14Å; Y153-L156 PolarHBondContact O-N 3.5Å; L156-I159 PolarHBondContact O-N 3.42Å; L156-A160 PolarHBondContact O-N 3.41Å
157	A	93.9	Very high	88.6	Confident	49 Å²	49	85.9 Å²	85.9	41%	0.405	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.1	0	0	0	0	0	112	Y153 S154 V155 I159 A160 I161	Y153-A157 WeakPolarHBondContact O-CB 3.28Å; Y153-A157 PolarHBondContact O-N 3.42Å; S154-A157 PolarHBondContact O-N 3.26Å; V155-A157 VanDerWaalsContact C-N 3.32Å; V155-A157 PolarHBondContact O-N 3.32Å; A157-I159 PolarHBondContact O-N 3.27Å; A157-A160 PolarHBondContact O-N 3.41Å; A157-I161 VanDerWaalsContact O-CG1 3.25Å; A157-I161 WeakPolarHBondContact O-CG1 3.25Å; A157-I161 PolarHBondContact O-N 3.03Å
158	I	95.7	Very high	89.7	Confident	90 Å²	90	86.6 Å²	86.6	46%	0.462	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-43.3	176.4	-67.9	164.3	0	0	0	110.8	S154 V155 A160 I161 I162	S154-I158 VanDerWaalsContact O-CG1 3.28Å; S154-I158 WeakPolarHBondContact O-CG1 3.39Å; S154-I158 PolarHBondContact O-N 3.26Å; V155-I158 PolarHBondContact O-N 3.01Å; I158-A160 PolarHBondContact O-N 3.37Å; I158-I161 PolarHBondContact O-N 3.25Å; I158-I162 HydrophobicContact CG2-CD1 3.91Å; I158-I162 HydrophobicContact CG2-CG1 4.48Å; I158-I162 WeakPolarHBondContact O-CG1 3.27Å; I158-I162 PolarHBondContact O-N 3.49Å
159	I	96.5	Very high	90.7	Very high	84 Å²	84	86.6 Å²	86.6	43%	0.431	49%	0.486	S	S	.	.	H	α-helix	trans	-60.6	-46.5	176.5	-66.9	165.9	0	0	0	110.6	V155 L156 A157 I161 I162 I163	V155-I159 HydrophobicContact CG1-CD1 3.94Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 2.94Å; L156-I159 PolarHBondContact O-N 3.42Å; A157-I159 PolarHBondContact O-N 3.27Å; I159-I161 VanDerWaalsContact C-N 3.31Å; I159-I161 PolarHBondContact O-N 2.92Å; I159-I162 PolarHBondContact O-N 2.98Å; I159-I163 HydrophobicContact CG2-CD1 3.86Å; I159-I163 WeakPolarHBondContact O-CG1 3.33Å; I159-I163 PolarHBondContact O-N 3.4Å
160	A	96.1	Very high	91.2	Very high	58 Å²	58	84.2 Å²	84.2	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-38.6	177.3	0	0	0	0	0	112.2	L156 A157 I158 I163 A164	L156-A160 PolarHBondContact O-N 3.41Å; A157-A160 PolarHBondContact O-N 3.41Å; I158-A160 PolarHBondContact O-N 3.37Å; A160-I163 PolarHBondContact O-N 2.92Å; A160-A164 WeakPolarHBondContact O-CB 3.33Å; A160-A164 PolarHBondContact O-N 3.47Å
161	I	95.9	Very high	91.5	Very high	98 Å²	98	81 Å²	81	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-44.1	175.7	-71.5	166.2	0	0	0	111.1	A157 I158 I159 I163 A164 I165	A157-I161 VanDerWaalsContact O-CG1 3.25Å; A157-I161 WeakPolarHBondContact O-CG1 3.25Å; A157-I161 PolarHBondContact O-N 3.03Å; I158-I161 PolarHBondContact O-N 3.25Å; I159-I161 VanDerWaalsContact C-N 3.31Å; I159-I161 PolarHBondContact O-N 2.92Å; I161-I163 VanDerWaalsContact C-N 3.33Å; I161-I163 PolarHBondContact O-N 2.89Å; I161-A164 PolarHBondContact O-N 3.25Å; I161-I165 HydrophobicContact CG2-CD1 3.64Å; I161-I165 HydrophobicContact CG2-CG1 4.32Å; I161-I165 VanDerWaalsContact O-CG1 3.27Å; I161-I165 WeakPolarHBondContact O-CG1 3.24Å; I161-I165 PolarHBondContact O-N 3.45Å
162	I	96.2	Very high	91.3	Very high	105 Å²	105	79.5 Å²	79.5	54%	0.538	48%	0.484	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.8	-67.7	165.3	0	0	0	110.6	I158 I159 I165 S166	I158-I162 HydrophobicContact CG2-CD1 3.91Å; I158-I162 HydrophobicContact CG2-CG1 4.48Å; I158-I162 WeakPolarHBondContact O-CG1 3.27Å; I158-I162 PolarHBondContact O-N 3.49Å; I159-I162 PolarHBondContact O-N 2.98Å; I162-I165 PolarHBondContact O-N 3.41Å; I162-S166 WeakPolarHBondContact O-CB 3.46Å; I162-S166 PolarHBondContact O-N 3.32Å; I162-S166 PolarHBondContact O-OG 3Å
163	I	96	Very high	90.8	Very high	97 Å²	97	85.3 Å²	85.3	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-43	176.5	-64.9	166.7	0	0	0	110.7	I159 A160 I161 S166 V167	I159-I163 HydrophobicContact CG2-CD1 3.86Å; I159-I163 WeakPolarHBondContact O-CG1 3.33Å; I159-I163 PolarHBondContact O-N 3.4Å; A160-I163 PolarHBondContact O-N 2.92Å; I161-I163 VanDerWaalsContact C-N 3.33Å; I161-I163 PolarHBondContact O-N 2.89Å; I163-S166 WeakPolarHBondContact CA-OG 3.37Å; I163-S166 PolarHBondContact O-N 3.43Å; I163-S166 PolarHBondContact O-OG 3.45Å; I163-V167 HydrophobicContact CG2-CG2 4.38Å; I163-V167 WeakPolarHBondContact O-CB 3.5Å; I163-V167 VanDerWaalsContact O-CG2 3.24Å; I163-V167 WeakPolarHBondContact O-CG2 3.46Å; I163-V167 PolarHBondContact O-N 3.31Å
164	A	94.9	Very high	90	Very high	54 Å²	54	79 Å²	79	45%	0.446	49%	0.486	S	S	.	.	H	α-helix	trans	-61.2	-47.2	177.3	0	0	0	0	0	111.3	A160 I161 S166 V167 T168	A160-A164 WeakPolarHBondContact O-CB 3.33Å; A160-A164 PolarHBondContact O-N 3.47Å; I161-A164 PolarHBondContact O-N 3.25Å; A164-S166 PolarHBondContact O-N 2.88Å; A164-V167 PolarHBondContact O-N 2.94Å; A164-T168 WeakPolarHBondContact O-CB 3.45Å; A164-T168 PolarHBondContact O-N 3.3Å; A164-T168 PolarHBondContact O-OG1 3.43Å
165	I	94.1	Very high	89	Confident	106 Å²	106	77.2 Å²	77.2	54%	0.544	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-42.8	178.6	-66.5	166.6	0	0	0	111.1	I161 I162 T168 A169	I161-I165 HydrophobicContact CG2-CD1 3.64Å; I161-I165 HydrophobicContact CG2-CG1 4.32Å; I161-I165 VanDerWaalsContact O-CG1 3.27Å; I161-I165 WeakPolarHBondContact O-CG1 3.24Å; I161-I165 PolarHBondContact O-N 3.45Å; I162-I165 PolarHBondContact O-N 3.41Å; I165-T168 PolarHBondContact O-N 2.94Å; I165-A169 WeakPolarHBondContact O-CB 3.37Å; I165-A169 PolarHBondContact O-N 2.85Å
166	S	92.6	Very high	87.8	Confident	70 Å²	70	79.6 Å²	79.6	49%	0.49	48%	0.483	S	S	.	.	H	α-helix	trans	-65.1	-41.6	179.6	67	0	0	0	0	112	I162 I163 A164 G170	I162-S166 WeakPolarHBondContact O-CB 3.46Å; I162-S166 PolarHBondContact O-N 3.32Å; I162-S166 PolarHBondContact O-OG 3Å; I163-S166 WeakPolarHBondContact CA-OG 3.37Å; I163-S166 PolarHBondContact O-N 3.43Å; I163-S166 PolarHBondContact O-OG 3.45Å; A164-S166 PolarHBondContact O-N 2.88Å; S166-G170 PolarHBondContact O-N 3.33Å
167	V	93.5	Very high	86.7	Confident	87 Å²	87	77.2 Å²	77.2	53%	0.527	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-44.4	174	173.1	0	0	0	0	110.7	I163 A164 G170 T171	I163-V167 HydrophobicContact CG2-CG2 4.38Å; I163-V167 WeakPolarHBondContact O-CB 3.5Å; I163-V167 VanDerWaalsContact O-CG2 3.24Å; I163-V167 WeakPolarHBondContact O-CG2 3.46Å; I163-V167 PolarHBondContact O-N 3.31Å; A164-V167 PolarHBondContact O-N 2.94Å; V167-G170 PolarHBondContact O-N 3.28Å; V167-T171 VanDerWaalsContact O-CB 3.3Å; V167-T171 WeakPolarHBondContact O-CB 3.43Å; V167-T171 PolarHBondContact O-N 2.86Å; V167-T171 PolarHBondContact O-OG1 3.37Å
168	T	88.8	Confident	85.5	Confident	94 Å²	94	79.3 Å²	79.3	58%	0.577	49%	0.49	S	S	*	.	H	α-helix	trans	-63.1	-44.2	177.8	-58.8	0	0	0	0	112	A164 I165 T171 A172	A164-T168 WeakPolarHBondContact O-CB 3.45Å; A164-T168 PolarHBondContact O-N 3.3Å; A164-T168 PolarHBondContact O-OG1 3.43Å; I165-T168 PolarHBondContact O-N 2.94Å; T168-T171 PolarHBondContact O-N 2.7Å; T168-A172 WeakPolarHBondContact O-CB 3.35Å; T168-A172 PolarHBondContact O-N 2.92Å
169	A	87.7	Confident	84.1	Confident	55 Å²	55	80.9 Å²	80.9	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-46.3	178	0	0	0	0	0	111.7	I165 T171 A172 E173	I165-A169 WeakPolarHBondContact O-CB 3.37Å; I165-A169 PolarHBondContact O-N 2.85Å; A169-T171 VanDerWaalsContact C-N 3.27Å; A169-T171 PolarHBondContact O-N 3.37Å; A169-A172 PolarHBondContact O-N 3.48Å; A169-E173 WeakPolarHBondContact O-CG 3.4Å; A169-E173 PolarHBondContact O-N 3.02Å
170	G	85.4	Confident	82.6	Confident	48 Å²	48	80 Å²	80	50%	0.495	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-34.3	176	0	0	0	0	0	113	S166 V167 A174	S166-G170 PolarHBondContact O-N 3.33Å; V167-G170 PolarHBondContact O-N 3.28Å; G170-A174 PolarHBondContact O-N 2.86Å
171	T	85.5	Confident	81.1	Confident	79 Å²	79	81.2 Å²	81.2	49%	0.485	50%	0.503	S	S	.	.	H	α-helix	trans	-74.4	-36	177.2	-54.5	0	0	0	0	112	V167 T168 A169 A174 A175	V167-T171 VanDerWaalsContact O-CB 3.3Å; V167-T171 WeakPolarHBondContact O-CB 3.43Å; V167-T171 PolarHBondContact O-N 2.86Å; V167-T171 PolarHBondContact O-OG1 3.37Å; T168-T171 PolarHBondContact O-N 2.7Å; A169-T171 VanDerWaalsContact C-N 3.27Å; A169-T171 PolarHBondContact O-N 3.37Å; T171-A174 PolarHBondContact O-N 3.49Å; T171-A175 WeakPolarHBondContact O-CB 3.3Å; T171-A175 PolarHBondContact O-N 2.91Å
172	A	77.8	Confident	79.6	Confident	47 Å²	47	83.5 Å²	83.5	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-43.8	179.7	0	0	0	0	0	111.9	T168 A169 A174 A175 I176	T168-A172 WeakPolarHBondContact O-CB 3.35Å; T168-A172 PolarHBondContact O-N 2.92Å; A169-A172 PolarHBondContact O-N 3.48Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.34Å; A172-A175 PolarHBondContact O-N 3.16Å; A172-I176 WeakPolarHBondContact O-CG1 3.33Å; A172-I176 PolarHBondContact O-N 3.46Å; A172-I176 VanDerWaalsContact O-N 3.16Å
173	E	74.6	Confident	78.2	Confident	156 Å²	156	86 Å²	86	73%	0.729	51%	0.513	S	S	*	.	H	α-helix	trans	-59.8	-44.1	174.5	-61.6	-85.6	156.4	0	0	111	A169 G177	A169-E173 WeakPolarHBondContact O-CG 3.4Å; A169-E173 PolarHBondContact O-N 3.02Å; E173-G177 PolarHBondContact O-N 3.25Å
174	A	70.7	Confident	76.9	Confident	43 Å²	43	88 Å²	88	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-69.1	-33.3	179.6	0	0	0	0	0	113.5	G170 T171 A172 N178	G170-A174 PolarHBondContact O-N 2.86Å; T171-A174 PolarHBondContact O-N 3.49Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.34Å; A174-N178 PolarHBondContact O-N 3.32Å; A174-N178 PolarHBondContact O-ND2 2.86Å
175	A	67.2	Low	75.6	Confident	12 Å²	12	96.4 Å²	96.4	10%	0.099	55%	0.545	C	S	.	.	H	α-helix	trans	-72.1	-35	179.2	0	0	0	0	0	112.2	T171 A172 G177 N178 Y182	T171-A175 WeakPolarHBondContact O-CB 3.3Å; T171-A175 PolarHBondContact O-N 2.91Å; A172-A175 PolarHBondContact O-N 3.16Å; A175-G177 VanDerWaalsContact C-N 3.32Å; A175-G177 PolarHBondContact O-N 2.95Å; A175-N178 CarbonylContact O-C 3.39Å; A175-N178 PolarHBondContact O-N 3.37Å; A175-Y182 HydrophobicContact CB-CE2 3.88Å
176	I	67.9	Low	74.6	Confident	128 Å²	128	95.9 Å²	95.9	66%	0.656	55%	0.551	S	S	*	*	H	α-helix	trans	-67.5	-34.7	176.8	-66.3	165	0	0	0	111.2	A172 N178	A172-I176 WeakPolarHBondContact O-CG1 3.33Å; A172-I176 PolarHBondContact O-N 3.46Å; A172-I176 VanDerWaalsContact O-N 3.16Å; I176-N178 VanDerWaalsContact C-N 3.34Å
177	G	70.8	Confident	73	Confident	62 Å²	62	100.2 Å²	100.2	64%	0.639	58%	0.581	S	S	*	*	H	α-helix	trans	-74.6	-21.2	176.7	0	0	0	0	0	114.4	E173 A175	E173-G177 PolarHBondContact O-N 3.25Å; A175-G177 VanDerWaalsContact C-N 3.32Å; A175-G177 PolarHBondContact O-N 2.95Å
178	N	67.7	Low	71.9	Confident	92 Å²	92	100.9 Å²	100.9	49%	0.492	58%	0.584	S	S	.	*			trans	-133.3	89.6	-173.5	-58.5	-74.1	0	0	0	110.7	A174 A175 I176 A180 L181	A174-N178 PolarHBondContact O-N 3.32Å; A174-N178 PolarHBondContact O-ND2 2.86Å; A175-N178 CarbonylContact O-C 3.39Å; A175-N178 PolarHBondContact O-N 3.37Å; I176-N178 VanDerWaalsContact C-N 3.34Å; N178-A180 PolarHBondContact O-N 3.49Å; N178-L181 HydrophobicContact CB-CD1 4.23Å; N178-L181 PolarHBondContact O-N 3.03Å
179	N	65.8	Low	71.1	Confident	123 Å²	123	101.3 Å²	101.3	66%	0.658	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.2	-25.8	173.3	-62.7	-10.1	0	0	0	112.9	L181 Y182 F183	N179-L181 VanDerWaalsContact C-N 3.29Å; N179-L181 PolarHBondContact O-N 3.48Å; N179-Y182 PolarHBondContact O-N 3.45Å; N179-F183 WeakPolarHBondContact O-CD2 3.49Å
180	A	65.4	Low	70.1	Confident	66 Å²	66	103.8 Å²	103.8	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-62.1	-28	177.2	0	0	0	0	0	114.4	N178 Y182 F183 L184	N178-A180 PolarHBondContact O-N 3.49Å; A180-Y182 VanDerWaalsContact C-N 3.33Å; A180-Y182 PolarHBondContact O-N 3.38Å; A180-F183 PolarHBondContact O-N 3.37Å; A180-L184 PolarHBondContact O-N 3.49Å
181	L	65.3	Low	69.2	Low	84 Å²	84	107.1 Å²	107.1	44%	0.44	60%	0.597	S	S	.	*	H	α-helix	trans	-69	-30.9	179.4	-86.5	165.1	0	0	0	112.5	N178 N179	N178-L181 HydrophobicContact CB-CD1 4.23Å; N178-L181 PolarHBondContact O-N 3.03Å; N179-L181 VanDerWaalsContact C-N 3.29Å; N179-L181 PolarHBondContact O-N 3.48Å
182	Y	64.3	Low	68.2	Low	146 Å²	146	108.9 Å²	108.9	57%	0.573	60%	0.604	S	S	*	*	H	α-helix	trans	-68.1	-36.5	175.9	-77.7	-81.7	0	0	0	112.6	A175 N179 A180 W185 S186	A175-Y182 HydrophobicContact CB-CE2 3.88Å; N179-Y182 PolarHBondContact O-N 3.45Å; A180-Y182 VanDerWaalsContact C-N 3.33Å; A180-Y182 PolarHBondContact O-N 3.38Å; Y182-W185 PolarHBondContact O-N 3.47Å; Y182-S186 PolarHBondContact O-N 3.36Å
183	F	65.5	Low	67.6	Low	157 Å²	157	113 Å²	113	69%	0.689	62%	0.618	S	S	*	*	H	α-helix	trans	-69.8	-33	179.3	-78.8	-79.2	0	0	0	113	N179 A180 W185 S186	N179-F183 WeakPolarHBondContact O-CD2 3.49Å; A180-F183 PolarHBondContact O-N 3.37Å; F183-W185 VanDerWaalsContact C-N 3.33Å; F183-S186 PolarHBondContact O-N 3.42Å
184	L	69.1	Low	67.1	Low	140 Å²	140	109.9 Å²	109.9	73%	0.733	61%	0.61	S	S	*	*	H	α-helix	trans	-73.1	-23.2	178.1	-85.1	156.8	0	0	0	113.5	A180	A180-L184 PolarHBondContact O-N 3.49Å
185	W	67.1	Low	66.8	Low	229 Å²	229	115.1 Å²	115.1	87%	0.867	63%	0.63	S	S	*	*	H	α-helix	trans	-86.6	-16	176.6	-170.7	71	0	0	0	113.3	Y182 F183	Y182-W185 PolarHBondContact O-N 3.47Å; F183-W185 VanDerWaalsContact C-N 3.33Å
186	S	73.4	Confident	66.8	Low	96 Å²	96	123.7 Å²	123.7	67%	0.671	67%	0.674	S	S	*	*			trans	-97.5	3.5	-178.5	100.5	0	0	0	0	115	Y182 F183	Y182-S186 PolarHBondContact O-N 3.36Å; F183-S186 PolarHBondContact O-N 3.42Å
187	S	59	Low	66.7	Low	161 Å²	161	123.3 Å²	123.3	100%	1.126	68%	0.676	S	S	*	*			trans	-108.8	0	175.1	-177.4	0	0	0	0	111.1

Retrieved 187 of 187 residues in 314.7 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).