A0A087XJE3_POEFO Loading...

Cystatin domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XJE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 148 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	50.3	Low	55.5	Low	230 Å²	230	147.8 Å²	147.8	100%	1.133	85%	0.85	S	S	*	*				0	101.6	0	-70.6	-95	78.8	0	0	108.4
2	L	39.2	Very low	56.1	Low	171 Å²	171	149.4 Å²	149.4	90%	0.895	85%	0.852	S	S	*	*			trans	-161.2	109.2	158.1	-141.2	79.7	0	0	0	107.2
3	P	55.6	Low	56.7	Low	113 Å²	113	142.4 Å²	142.4	73%	0.734	83%	0.832	S	S	*	*			trans	-85.6	133.3	-179.2	33	-28.6	0	0	0	109.7	L5	P3-L5 PolarHBondContact O-N 3.44Å
4	L	52	Low	56.7	Low	169 Å²	169	141.4 Å²	141.4	89%	0.885	83%	0.833	S	S	*	*			trans	-80.3	111	171.3	-135.6	76.8	0	0	0	108.1
5	L	57.3	Low	57	Low	156 Å²	156	138 Å²	138	82%	0.817	83%	0.827	S	S	*	*			trans	-78.4	118.2	176.6	-77.6	154.3	0	0	0	109.9	P3 L7	P3-L5 PolarHBondContact O-N 3.44Å; L5-L7 PolarHBondContact O-N 3.48Å
6	L	54.2	Low	57.2	Low	174 Å²	174	135.6 Å²	135.6	91%	0.911	83%	0.827	S	S	*	*			trans	-79.1	112.4	167.8	-86.7	106	0	0	0	109.9	A8	L6-A8 PolarHBondContact O-N 3.23Å
7	L	60.5	Low	57	Low	160 Å²	160	133 Å²	133	84%	0.838	82%	0.816	S	S	*	*			trans	-83.1	105.8	168.5	-80.3	144.6	0	0	0	109.2	L5 T9	L5-L7 PolarHBondContact O-N 3.48Å; L7-T9 PolarHBondContact O-N 3.46Å
8	A	58.8	Low	56.9	Low	93 Å²	93	130.7 Å²	130.7	77%	0.769	81%	0.806	S	S	*	*			trans	-75.3	102.7	168	0	0	0	0	0	109.1	L6 L10	L6-A8 PolarHBondContact O-N 3.23Å; A8-L10 PolarHBondContact O-N 3.03Å
9	T	60.9	Low	56.6	Low	130 Å²	130	132.8 Å²	132.8	80%	0.798	81%	0.805	S	S	*	*			trans	-77.3	106.4	171.8	53.8	0	0	0	0	109.1	L7 G11	L7-T9 PolarHBondContact O-N 3.46Å; T9-G11 VanDerWaalsContact C-N 3.31Å; T9-G11 PolarHBondContact O-N 3.19Å
10	L	59.5	Low	56.9	Low	158 Å²	158	134.9 Å²	134.9	83%	0.827	81%	0.805	S	S	*	*			trans	-66.3	97.1	161	-86.9	89.5	0	0	0	107.6	A8 L12	A8-L10 PolarHBondContact O-N 3.03Å; L10-L12 PolarHBondContact O-N 3.4Å
11	G	62.4	Low	57.2	Low	72 Å²	72	131.4 Å²	131.4	74%	0.742	80%	0.797	S	S	*	*			trans	-67.9	98.7	169.2	0	0	0	0	0	109.5	T9 G13	T9-G11 VanDerWaalsContact C-N 3.31Å; T9-G11 PolarHBondContact O-N 3.19Å; G11-G13 PolarHBondContact O-N 3.39Å
12	L	63	Low	58.2	Low	167 Å²	167	131.6 Å²	131.6	87%	0.874	79%	0.785	S	S	*	*			trans	-67.3	89.3	156.6	-114.5	69.8	0	0	0	106.7	L10	L10-L12 PolarHBondContact O-N 3.4Å
13	G	62.9	Low	59.9	Low	58 Å²	58	127.2 Å²	127.2	60%	0.598	77%	0.767	S	S	*	*			trans	-59.9	143.6	166.9	0	0	0	0	0	109.1	G11 A15	G11-G13 PolarHBondContact O-N 3.39Å; G13-A15 PolarHBondContact O-N 3.28Å
14	P	56.8	Low	61	Low	129 Å²	129	128.5 Å²	128.5	84%	0.838	77%	0.765	S	S	*	*			trans	-59.8	119.8	177.1	25	-31.3	0	0	0	108.2	A16	P14-A16 PolarHBondContact O-N 2.96Å
15	A	61.2	Low	62.1	Low	90 Å²	90	126 Å²	126	74%	0.744	76%	0.759	S	S	*	*			trans	-60.7	106.6	164.4	0	0	0	0	0	106.3	G13 S17	G13-A15 PolarHBondContact O-N 3.28Å; A15-S17 VanDerWaalsContact C-N 3.26Å; A15-S17 PolarHBondContact O-N 3.03Å
16	A	60.6	Low	63.4	Low	100 Å²	100	120.3 Å²	120.3	83%	0.826	74%	0.737	S	S	*	*			trans	-64.1	95.4	169.2	0	0	0	0	0	107	P14 S18	P14-A16 PolarHBondContact O-N 2.96Å; A16-S18 PolarHBondContact O-N 3.32Å
17	S	53.3	Low	65.2	Low	91 Å²	91	114.9 Å²	114.9	64%	0.636	71%	0.714	S	S	*	*			trans	-60.2	103.6	169.9	-70.1	0	0	0	0	107.8	A15 H19	A15-S17 VanDerWaalsContact C-N 3.26Å; A15-S17 PolarHBondContact O-N 3.03Å; S17-H19 PolarHBondContact O-N 3.39Å
18	S	56	Low	66.8	Low	91 Å²	91	109.5 Å²	109.5	64%	0.636	69%	0.689	S	S	*	*			trans	-64.2	89.5	167.7	-179.1	0	0	0	0	107.8	A16 H20	A16-S18 PolarHBondContact O-N 3.32Å; S18-H20 VanDerWaalsContact C-N 3.25Å; S18-H20 PolarHBondContact O-N 3.35Å; S18-H20 PolarHBondContact OG-CE1 2.85Å
19	H	51.3	Low	68.5	Low	171 Å²	171	108.1 Å²	108.1	79%	0.792	66%	0.664	S	S	*	*			trans	-67.3	88.9	169.5	-82.9	-84.6	0	0	0	108	S17 G21	S17-H19 PolarHBondContact O-N 3.39Å; H19-G21 PolarHBondContact O-N 2.78Å
20	H	62.4	Low	70.2	Confident	175 Å²	175	107.7 Å²	107.7	81%	0.81	66%	0.657	S	S	*	*			trans	-70.1	79.1	160.7	-75.6	-18.1	0	0	0	108.4	S18	S18-H20 VanDerWaalsContact C-N 3.25Å; S18-H20 PolarHBondContact O-N 3.35Å; S18-H20 PolarHBondContact OG-CE1 2.85Å
21	G	63.6	Low	72	Confident	62 Å²	62	101.8 Å²	101.8	64%	0.639	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.8	141.8	167.4	0	0	0	0	0	109.6	H19	H19-G21 PolarHBondContact O-N 2.78Å
22	R	70.6	Confident	73.7	Confident	234 Å²	234	101.8 Å²	101.8	88%	0.883	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-53.7	136.3	176.3	-75.3	177.2	157.3	-171.6	-6.2	109.5	M24	R22-M24 PolarHBondContact O-N 3.38Å; R22-M24 VanDerWaalsContact O-N 3.12Å
23	P	74.1	Confident	75.4	Confident	79 Å²	79	98.2 Å²	98.2	51%	0.513	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-52	120.5	175.2	-26.2	33.7	0	0	0	110.7	Y29	P23-Y29 HydrophobicContact CB-CD1 3.68Å; P23-Y29 HydrophobicContact CB-CD2 4Å; P23-Y29 HydrophobicContact CB-CE1 3.89Å; P23-Y29 HydrophobicContact CB-CE2 4.2Å; P23-Y29 HydrophobicContact CB-CG 3.73Å; P23-Y29 HydrophobicContact CG-CD2 3.97Å; P23-Y29 HydrophobicContact CG-CE2 4.15Å; P23-Y29 HydrophobicContact CG-CG 4.15Å
24	M	78.9	Confident	77	Confident	140 Å²	140	101.7 Å²	101.7	69%	0.69	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-81.3	130.1	175.5	-70.3	-154.3	-66.1	0	0	109.6	R22 G26 S27	R22-M24 PolarHBondContact O-N 3.38Å; R22-M24 VanDerWaalsContact O-N 3.12Å; M24-G26 PolarHBondContact O-N 2.66Å; M24-S27 PolarHBondContact O-N 2.96Å
25	P	76.5	Confident	78.9	Confident	117 Å²	117	97.2 Å²	97.2	76%	0.76	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	140	171.8	-25	34	0	0	0	111	S27	P25-S27 VanDerWaalsContact C-N 3.32Å; P25-S27 PolarHBondContact O-N 2.79Å
26	G	83.6	Confident	80.5	Confident	35 Å²	35	96.3 Å²	96.3	36%	0.361	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	85	-16.5	179.7	0	0	0	0	0	116.3	M24 Q70 V71	M24-G26 PolarHBondContact O-N 2.66Å; G26-Q70 PolarHBondContact O-NE2 2.95Å; G26-V71 PolarHBondContact N-O 3.06Å; G26-V71 VanDerWaalsContact N-O 3.17Å
27	S	91.8	Very high	82.1	Confident	61 Å²	61	93.1 Å²	93.1	43%	0.427	53%	0.534	S	S	.	.	S	Bend	trans	-101.2	139.2	173.3	-170	0	0	0	0	111.2	M24 P25	M24-S27 PolarHBondContact O-N 2.96Å; P25-S27 VanDerWaalsContact C-N 3.32Å; P25-S27 PolarHBondContact O-N 2.79Å
28	P	95	Very high	84.1	Confident	46 Å²	46	88.8 Å²	88.8	30%	0.299	50%	0.504	S	S	.	.			trans	-60.6	134.9	169.3	-22.5	33.9	0	0	0	111.6	Q68 Q69 Q70 I78	P28-Q68 HydrophobicContact CB-CB 4.36Å; P28-Q69 WeakPolarHBondContact CA-O 3.32Å; P28-Q70 HydrophobicContact CB-CB 4.5Å; P28-Q70 HydrophobicContact CG-CB 4.29Å; P28-Q70 HydrophobicContact CG-CG 4.25Å; P28-I78 HydrophobicContact CB-CD1 4.1Å; P28-I78 HydrophobicContact CG-CD1 3.93Å
29	Y	94.7	Very high	86	Confident	65 Å²	65	88.1 Å²	88.1	26%	0.255	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.4	173	62.1	-87.9	0	0	0	110.5	P23 I31 Q68 Q69	P23-Y29 HydrophobicContact CB-CD1 3.68Å; P23-Y29 HydrophobicContact CB-CD2 4Å; P23-Y29 HydrophobicContact CB-CE1 3.89Å; P23-Y29 HydrophobicContact CB-CE2 4.2Å; P23-Y29 HydrophobicContact CB-CG 3.73Å; P23-Y29 HydrophobicContact CG-CD2 3.97Å; P23-Y29 HydrophobicContact CG-CE2 4.15Å; P23-Y29 HydrophobicContact CG-CG 4.15Å; Y29-I31 HydrophobicContact CD2-CG2 3.94Å; Y29-I31 HydrophobicContact CE2-CG2 3.59Å; Y29-Q68 CarbonylContact O-C 3.58Å; Y29-Q68 WeakPolarHBondContact O-CA 3.44Å; Y29-Q68 WeakPolarHBondContact O-CB 3.37Å; Y29-Q69 WeakPolarHBondContact CD1-O 3.46Å; Y29-Q69 HydrophobicContact CE1-CB 4.25Å; Y29-Q69 HydrophobicContact CE1-CG 4.42Å; Y29-Q69 WeakPolarHBondContact CE1-O 3.33Å; Y29-Q69 HydrophobicContact CE2-CB 4.25Å; Y29-Q69 PolarHBondContact N-O 2.82Å; Y29-Q69 PolarHBondContact O-N 2.84Å; Y29-Q69 PolarHBondContact OH-NE2 3.07Å; Y29-Q69 VanDerWaalsContact OH-NE2 3.09Å
30	D	96.4	Very high	88.1	Confident	121 Å²	121	86.6 Å²	86.6	65%	0.647	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.7	-178.9	-68.3	-21.7	0	0	0	111.2	Q68	D30-Q68 WeakPolarHBondContact OD1-CG 3.31Å; D30-Q68 PolarHBondContact OD1-NE2 2.99Å
31	I	96.6	Very high	89.6	Confident	33 Å²	33	78.6 Å²	78.6	17%	0.169	45%	0.449	C	S	.	.			trans	-124	165.3	174.1	59	162.9	0	0	0	110.1	Y29 K33 V38 A67 Q69 Y77	Y29-I31 HydrophobicContact CD2-CG2 3.94Å; Y29-I31 HydrophobicContact CE2-CG2 3.59Å; I31-K33 PolarHBondContact O-N 2.85Å; I31-V38 HydrophobicContact CD1-CG2 3.4Å; I31-V38 HydrophobicContact CG1-CG2 4.19Å; I31-A67 HydrophobicContact CD1-CB 4.49Å; I31-A67 HydrophobicContact CG1-CB 3.94Å; I31-A67 PolarHBondContact N-O 2.9Å; I31-Q69 HydrophobicContact CD1-CB 4.18Å; I31-Q69 HydrophobicContact CG1-CB 4.49Å; I31-Q69 HydrophobicContact CG2-CB 3.66Å; I31-Y77 HydrophobicContact CD1-CD1 3.85Å; I31-Y77 HydrophobicContact CD1-CE1 3.92Å
32	S	97.8	Very high	91.2	Very high	72 Å²	72	75.7 Å²	75.7	50%	0.503	42%	0.418	S	S	.	.			trans	-61.3	125.6	176.2	179.6	0	0	0	0	111	N34 S35	S32-N34 PolarHBondContact O-N 2.86Å; S32-N34 PolarHBondContact OG-N 2.86Å; S32-S35 WeakPolarHBondContact O-CB 3.23Å; S32-S35 PolarHBondContact O-N 2.81Å; S32-S35 PolarHBondContact O-OG 3.3Å
33	K	98.2	Very high	92.3	Very high	93 Å²	93	67.1 Å²	67.1	40%	0.404	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.9	170.9	-63.1	173.4	175.6	-171.7	0	112.7	I31 V38 Q39 V64 L65 A67	I31-K33 PolarHBondContact O-N 2.85Å; K33-V38 WeakPolarHBondContact O-CG1 3.32Å; K33-Q39 PolarHBondContact O-NE2 2.84Å; K33-V64 HydrophobicContact CB-CB 4.07Å; K33-V64 HydrophobicContact CB-CG1 3.85Å; K33-V64 HydrophobicContact CD-CG1 4.44Å; K33-V64 WeakPolarHBondContact CD-O 3.38Å; K33-V64 HydrophobicContact CG-CB 4.4Å; K33-V64 HydrophobicContact CG-CG1 3.88Å; K33-L65 WeakPolarHBondContact CE-O 3.36Å; K33-L65 PolarHBondContact NZ-O 2.86Å; K33-A67 HydrophobicContact CG-CB 4.26Å
34	N	97.2	Very high	93.2	Very high	130 Å²	130	65 Å²	65	70%	0.695	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	6	-178.7	-59.6	-26.3	0	0	0	112.5	S32	S32-N34 PolarHBondContact O-N 2.86Å; S32-N34 PolarHBondContact OG-N 2.86Å
35	S	96.6	Very high	94	Very high	35 Å²	35	58.4 Å²	58.4	25%	0.245	35%	0.35	C	S	.	.	S	Bend	trans	-61.8	143.7	173.9	62.7	0	0	0	0	110.6	S32 A37 V38 Q39	S32-S35 WeakPolarHBondContact O-CB 3.23Å; S32-S35 PolarHBondContact O-N 2.81Å; S32-S35 PolarHBondContact O-OG 3.3Å; S35-A37 PolarHBondContact O-N 2.81Å; S35-V38 PolarHBondContact O-N 3.09Å; S35-V38 WeakPolarHBondContact OG-CB 3.43Å; S35-V38 WeakPolarHBondContact OG-CG2 3.33Å; S35-V38 PolarHBondContact OG-N 3.09Å; S35-Q39 WeakPolarHBondContact O-CG 3.47Å; S35-Q39 PolarHBondContact O-N 3.19Å
36	A	95.7	Very high	94.9	Very high	72 Å²	72	52.8 Å²	52.8	60%	0.595	31%	0.314	S	S	*	.	H	α-helix	trans	-55.6	-40.1	-178.1	0	0	0	0	0	112	Q39 Q40	A36-Q39 PolarHBondContact O-N 2.83Å; A36-Q40 WeakPolarHBondContact O-CB 3.36Å; A36-Q40 VanDerWaalsContact O-CG 3.27Å; A36-Q40 WeakPolarHBondContact O-CG 3.42Å; A36-Q40 PolarHBondContact O-N 3.46Å
37	A	92.8	Very high	95.3	Very high	32 Å²	32	55.9 Å²	55.9	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-44.2	177	0	0	0	0	0	112.6	S35 Q40 A41 Y77	S35-A37 PolarHBondContact O-N 2.81Å; A37-Q40 PolarHBondContact O-N 2.9Å; A37-A41 VanDerWaalsContact O-CB 3.26Å; A37-A41 WeakPolarHBondContact O-CB 3.2Å; A37-A41 PolarHBondContact O-N 3.46Å; A37-Y77 HydrophobicContact CB-CE1 4.01Å; A37-Y77 WeakPolarHBondContact CB-OH 3.38Å
38	V	96.4	Very high	95.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-43.9	177	171.4	0	0	0	0	110.9	I31 K33 S35 Q40 A41 V42 V64 A67 V79	I31-V38 HydrophobicContact CD1-CG2 3.4Å; I31-V38 HydrophobicContact CG1-CG2 4.19Å; K33-V38 WeakPolarHBondContact O-CG1 3.32Å; S35-V38 PolarHBondContact O-N 3.09Å; S35-V38 WeakPolarHBondContact OG-CB 3.43Å; S35-V38 WeakPolarHBondContact OG-CG2 3.33Å; S35-V38 PolarHBondContact OG-N 3.09Å; V38-Q40 PolarHBondContact O-N 2.83Å; V38-A41 PolarHBondContact O-N 2.85Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 2.83Å; V38-V64 HydrophobicContact CG1-CG1 4.05Å; V38-V64 HydrophobicContact CG1-CG2 4.4Å; V38-A67 HydrophobicContact CG1-CB 4.08Å; V38-A67 HydrophobicContact CG2-CB 3.85Å; V38-V79 HydrophobicContact CG1-CG1 4.22Å
39	Q	96.4	Very high	95.2	Very high	78 Å²	78	51.4 Å²	51.4	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-42.2	179	-66.7	-62.6	-42.8	0	0	111.8	K33 S35 A36 V42 L43	K33-Q39 PolarHBondContact O-NE2 2.84Å; S35-Q39 WeakPolarHBondContact O-CG 3.47Å; S35-Q39 PolarHBondContact O-N 3.19Å; A36-Q39 PolarHBondContact O-N 2.83Å; Q39-V42 VanDerWaalsContact O-CG2 3.31Å; Q39-V42 WeakPolarHBondContact O-CG2 3.07Å; Q39-L43 VanDerWaalsContact O-CB 3.31Å; Q39-L43 WeakPolarHBondContact O-CB 3.42Å; Q39-L43 PolarHBondContact O-N 2.75Å
40	Q	94.2	Very high	95.2	Very high	139 Å²	139	48.7 Å²	48.7	65%	0.65	28%	0.278	S	S	*	.	H	α-helix	trans	-64.8	-42.6	174.1	-73.8	173.9	-14.3	0	0	112	A36 A37 V38 L43 G44	A36-Q40 WeakPolarHBondContact O-CB 3.36Å; A36-Q40 VanDerWaalsContact O-CG 3.27Å; A36-Q40 WeakPolarHBondContact O-CG 3.42Å; A36-Q40 PolarHBondContact O-N 3.46Å; A37-Q40 PolarHBondContact O-N 2.9Å; V38-Q40 PolarHBondContact O-N 2.83Å; Q40-L43 PolarHBondContact O-N 2.81Å; Q40-G44 PolarHBondContact O-N 2.76Å
41	A	94.4	Very high	95	Very high	7 Å²	7	46.8 Å²	46.8	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-46.1	179.5	0	0	0	0	0	112.1	A37 V38 G44 A45 L116 L118	A37-A41 VanDerWaalsContact O-CB 3.26Å; A37-A41 WeakPolarHBondContact O-CB 3.2Å; A37-A41 PolarHBondContact O-N 3.46Å; V38-A41 PolarHBondContact O-N 2.85Å; A41-G44 PolarHBondContact O-N 2.94Å; A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 2.78Å; A41-L116 HydrophobicContact CB-CD2 3.89Å; A41-L118 HydrophobicContact CB-CD2 3.79Å
42	V	96.6	Very high	94.6	Very high	1 Å²	1	49 Å²	49	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-33.4	178.2	-60.3	0	0	0	0	112.5	V38 Q39 A45 A46 P61 V64 V79 F81	V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 2.83Å; Q39-V42 VanDerWaalsContact O-CG2 3.31Å; Q39-V42 WeakPolarHBondContact O-CG2 3.07Å; V42-A45 PolarHBondContact O-N 3.48Å; V42-A46 WeakPolarHBondContact O-CB 3.09Å; V42-A46 PolarHBondContact O-N 2.91Å; V42-P61 HydrophobicContact CB-CB 4.46Å; V42-P61 HydrophobicContact CB-CG 4.33Å; V42-P61 HydrophobicContact CG2-CB 4.06Å; V42-P61 HydrophobicContact CG2-CG 4.09Å; V42-V64 HydrophobicContact CG1-CG2 4.31Å; V42-V64 HydrophobicContact CG2-CG2 4.45Å; V42-V79 HydrophobicContact CG1-CG1 3.75Å; V42-F81 HydrophobicContact CB-CD2 3.83Å; V42-F81 HydrophobicContact CB-CE2 4.01Å; V42-F81 HydrophobicContact CB-CG 4.29Å; V42-F81 HydrophobicContact CG1-CB 4.04Å; V42-F81 HydrophobicContact CG1-CD1 4.15Å; V42-F81 HydrophobicContact CG1-CD2 3.83Å; V42-F81 HydrophobicContact CG1-CE2 4.28Å; V42-F81 HydrophobicContact CG1-CG 3.75Å
43	L	95.2	Very high	94.3	Very high	53 Å²	53	46.7 Å²	46.7	28%	0.277	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-47.9	174.2	-179	61.5	0	0	0	110.9	Q39 Q40 A45 A46 H47 L97	Q39-L43 VanDerWaalsContact O-CB 3.31Å; Q39-L43 WeakPolarHBondContact O-CB 3.42Å; Q39-L43 PolarHBondContact O-N 2.75Å; Q40-L43 PolarHBondContact O-N 2.81Å; L43-A45 VanDerWaalsContact C-N 3.32Å; L43-A45 PolarHBondContact O-N 2.75Å; L43-A46 WeakPolarHBondContact O-CB 3.19Å; L43-A46 PolarHBondContact O-N 2.83Å; L43-A46 VanDerWaalsContact O-N 3.14Å; L43-H47 PolarHBondContact O-CD2 3.04Å; L43-H47 PolarHBondContact O-N 2.95Å; L43-L97 HydrophobicContact CD1-CD1 4.11Å
44	G	92.9	Very high	93.9	Very high	35 Å²	35	50.3 Å²	50.3	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-42.2	174.2	0	0	0	0	0	112.3	Q40 A41 A46 H47 S48	Q40-G44 PolarHBondContact O-N 2.76Å; A41-G44 PolarHBondContact O-N 2.94Å; G44-A46 PolarHBondContact O-N 3.06Å; G44-H47 WeakPolarHBondContact O-CB 3.38Å; G44-H47 PolarHBondContact O-N 3.37Å; G44-S48 PolarHBondContact O-N 2.98Å
45	A	94.4	Very high	93.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-39.7	174.6	0	0	0	0	0	112.5	A41 V42 L43 S48 F49 F81 L116 L132	A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 2.78Å; V42-A45 PolarHBondContact O-N 3.48Å; L43-A45 VanDerWaalsContact C-N 3.32Å; L43-A45 PolarHBondContact O-N 2.75Å; A45-S48 PolarHBondContact O-N 2.91Å; A45-F49 WeakPolarHBondContact O-CB 3.29Å; A45-F49 PolarHBondContact O-N 2.82Å; A45-F81 HydrophobicContact CB-CE1 4.42Å; A45-F81 HydrophobicContact CB-CE2 4.31Å; A45-F81 HydrophobicContact CB-CZ 3.63Å; A45-L116 HydrophobicContact CB-CD1 4.27Å; A45-L116 HydrophobicContact CB-CD2 4.06Å; A45-L132 HydrophobicContact CB-CD1 4.11Å; A45-L132 HydrophobicContact CB-CD2 3.98Å; A45-L132 WeakPolarHBondContact O-CD2 3.48Å
46	A	95.1	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-38.4	174	0	0	0	0	0	112.4	V42 L43 G44 F49 N50 P61 I83	V42-A46 WeakPolarHBondContact O-CB 3.09Å; V42-A46 PolarHBondContact O-N 2.91Å; L43-A46 WeakPolarHBondContact O-CB 3.19Å; L43-A46 PolarHBondContact O-N 2.83Å; L43-A46 VanDerWaalsContact O-N 3.14Å; G44-A46 PolarHBondContact O-N 3.06Å; A46-F49 PolarHBondContact O-N 2.8Å; A46-N50 WeakPolarHBondContact O-CB 3.39Å; A46-N50 VanDerWaalsContact O-CG 3.22Å; A46-N50 PolarHBondContact O-N 2.89Å; A46-N50 PolarHBondContact O-ND2 2.85Å; A46-P61 HydrophobicContact CB-CG 3.88Å; A46-I83 HydrophobicContact CB-CG2 4.19Å
47	H	93.4	Very high	93.7	Very high	100 Å²	100	46.1 Å²	46.1	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-44.2	171.7	-75.6	-68.8	0	0	0	112.1	L43 G44 N50 S51 L97	L43-H47 PolarHBondContact O-CD2 3.04Å; L43-H47 PolarHBondContact O-N 2.95Å; G44-H47 WeakPolarHBondContact O-CB 3.38Å; G44-H47 PolarHBondContact O-N 3.37Å; H47-N50 PolarHBondContact O-N 2.76Å; H47-S51 PolarHBondContact O-N 2.81Å; H47-L97 WeakPolarHBondContact CE1-CD1 3.3Å
48	S	91.9	Very high	93.8	Very high	11 Å²	11	45.6 Å²	45.6	8%	0.077	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-41.6	175.9	-170.2	0	0	0	0	112.2	G44 A45 S51 Q52 I144 N146	G44-S48 PolarHBondContact O-N 2.98Å; A45-S48 PolarHBondContact O-N 2.91Å; S48-S51 PolarHBondContact O-N 3.47Å; S48-S51 PolarHBondContact O-OG 2.55Å; S48-Q52 PolarHBondContact O-N 2.67Å; S48-Q52 PolarHBondContact O-NE2 3.47Å; S48-Q52 PolarHBondContact OG-NE2 2.87Å; S48-I144 WeakPolarHBondContact OG-CG2 3.31Å; S48-N146 PolarHBondContact OG-ND2 2.05Å; S48-N146 VanDerWaalsContact OG-ND2 3.1Å
49	F	93.3	Very high	93.8	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-46.6	172.7	-177.2	-88.4	0	0	0	111.7	A45 A46 S51 Q52 S53 F59 I83 F112 L132 C134 V142 I144	A45-F49 WeakPolarHBondContact O-CB 3.29Å; A45-F49 PolarHBondContact O-N 2.82Å; A46-F49 PolarHBondContact O-N 2.8Å; F49-S51 VanDerWaalsContact C-N 3.31Å; F49-S51 PolarHBondContact O-N 2.7Å; F49-Q52 PolarHBondContact O-N 3.23Å; F49-S53 WeakPolarHBondContact O-CB 3.39Å; F49-S53 PolarHBondContact O-N 2.78Å; F49-F59 HydrophobicContact CD1-CB 4.09Å; F49-F59 HydrophobicContact CD1-CD2 4.13Å; F49-F59 HydrophobicContact CD1-CG 4.11Å; F49-F59 HydrophobicContact CE1-CB 4.23Å; F49-F59 HydrophobicContact CE1-CD1 4.21Å; F49-F59 AromaticContact CE1-CD2 3.59Å; F49-F59 HydrophobicContact CE1-CD2 3.59Å; F49-F59 AromaticContact CE1-CE2 3.95Å; F49-F59 HydrophobicContact CE1-CE2 3.95Å; F49-F59 AromaticContact CE1-CG 3.74Å; F49-F59 HydrophobicContact CE1-CG 3.74Å; F49-F59 HydrophobicContact CE1-CZ 4.42Å; F49-I83 HydrophobicContact CB-CD1 3.95Å; F49-I83 HydrophobicContact CD1-CD1 3.41Å; F49-I83 VanDerWaalsContact CD1-CD1 3.41Å; F49-I83 HydrophobicContact CD2-CD1 3.64Å; F49-I83 HydrophobicContact CE1-CD1 3.72Å; F49-I83 HydrophobicContact CE2-CD1 3.93Å; F49-I83 HydrophobicContact CG-CD1 3.36Å; F49-I83 HydrophobicContact CZ-CD1 3.96Å; F49-F112 HydrophobicContact CE1-CE2 4.49Å; F49-F112 HydrophobicContact CE2-CD1 4.4Å; F49-F112 HydrophobicContact CE2-CE1 4.49Å; F49-F112 HydrophobicContact CE2-CG 4.5Å; F49-F112 HydrophobicContact CZ-CD1 4.36Å; F49-F112 AromaticContact CZ-CD2 3.99Å; F49-F112 HydrophobicContact CZ-CD2 3.99Å; F49-F112 HydrophobicContact CZ-CE1 4.23Å; F49-F112 AromaticContact CZ-CE2 3.83Å; F49-F112 HydrophobicContact CZ-CE2 3.83Å; F49-F112 HydrophobicContact CZ-CG 4.26Å; F49-F112 AromaticContact CZ-CZ 3.97Å; F49-F112 HydrophobicContact CZ-CZ 3.97Å; F49-L132 HydrophobicContact CB-CD2 4.43Å; F49-C134 HydrophobicContact CD2-CB 4.03Å; F49-C134 HydrophobicContact CE2-CB 3.86Å; F49-V142 HydrophobicContact CD2-CG1 4.35Å; F49-V142 HydrophobicContact CE2-CB 4.11Å; F49-V142 HydrophobicContact CE2-CG1 3.98Å; F49-V142 HydrophobicContact CE2-CG2 4.32Å; F49-I144 HydrophobicContact CB-CD1 4.18Å; F49-I144 HydrophobicContact CD2-CD1 4.08Å
50	N	93.9	Very high	93.8	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-36.9	179.5	-76.6	-36.5	0	0	0	112.1	A46 H47 L58 F59 K90	A46-N50 WeakPolarHBondContact O-CB 3.39Å; A46-N50 VanDerWaalsContact O-CG 3.22Å; A46-N50 PolarHBondContact O-N 2.89Å; A46-N50 PolarHBondContact O-ND2 2.85Å; H47-N50 PolarHBondContact O-N 2.76Å; N50-L58 HydrophobicContact CB-CD2 4.1Å; N50-F59 PolarHBondContact ND2-O 3.33Å; N50-F59 PolarHBondContact OD1-N 2.68Å; N50-K90 WeakPolarHBondContact O-CE 3.41Å; N50-K90 PolarHBondContact O-NZ 2.92Å
51	S	91.3	Very high	94	Very high	81 Å²	81	38.9 Å²	38.9	57%	0.566	23%	0.226	S	C	*	.	H	α-helix	trans	-67.1	-39.1	179.3	66.8	0	0	0	0	111.9	H47 S48 F49 K90	H47-S51 PolarHBondContact O-N 2.81Å; S48-S51 PolarHBondContact O-N 3.47Å; S48-S51 PolarHBondContact O-OG 2.55Å; F49-S51 VanDerWaalsContact C-N 3.31Å; F49-S51 PolarHBondContact O-N 2.7Å; S51-K90 PolarHBondContact O-NZ 2.63Å
52	Q	89.6	Confident	94.1	Very high	80 Å²	80	40.7 Å²	40.7	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-88.7	-27.2	-175.7	-72.8	166	87.1	0	0	114.4	S48 F49 I144	S48-Q52 PolarHBondContact O-N 2.67Å; S48-Q52 PolarHBondContact O-NE2 3.47Å; S48-Q52 PolarHBondContact OG-NE2 2.87Å; F49-Q52 PolarHBondContact O-N 3.23Å; Q52-I144 HydrophobicContact CB-CD1 4.19Å; Q52-I144 HydrophobicContact CB-CG1 4.46Å
53	S	90.1	Very high	94.1	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.161	25%	0.253	C	S	.	.			trans	-70.8	139.3	177.6	178.4	0	0	0	0	111.7	F49 D55 K90	F49-S53 WeakPolarHBondContact O-CB 3.39Å; F49-S53 PolarHBondContact O-N 2.78Å; S53-D55 VanDerWaalsContact C-N 3.25Å; S53-D55 PolarHBondContact O-N 2.82Å; S53-D55 WeakPolarHBondContact OG-CB 3.49Å; S53-D55 PolarHBondContact OG-N 3.39Å; S53-K90 PolarHBondContact O-NZ 3.25Å
54	N	91.1	Very high	94.3	Very high	168 Å²	168	41.1 Å²	41.1	90%	0.898	25%	0.247	S	C	*	.			trans	-85.8	8.9	173.4	-71.4	-38.7	0	0	0	113.4
55	D	93.6	Very high	94.5	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.171	25%	0.247	C	C	.	.			trans	-62.1	145.8	177.8	-158.1	-67.8	0	0	0	112.1	S53 F57 F59 R85	S53-D55 VanDerWaalsContact C-N 3.25Å; S53-D55 PolarHBondContact O-N 2.82Å; S53-D55 WeakPolarHBondContact OG-CB 3.49Å; S53-D55 PolarHBondContact OG-N 3.39Å; D55-F57 VanDerWaalsContact C-N 3.26Å; D55-F57 PolarHBondContact O-N 3.24Å; D55-F57 PolarHBondContact OD1-N 3.32Å; D55-F59 HydrophobicContact CB-CE2 3.78Å; D55-R85 IonicContact OD1-NE 3.3Å; D55-R85 PolarHBondContact OD1-NE 3.46Å; D55-R85 IonicContact OD1-NH2 3.99Å; D55-R85 IonicContact OD2-CZ 3.29Å; D55-R85 VanDerWaalsContact OD2-CZ 3.29Å; D55-R85 IonicContact OD2-NE 3.09Å; D55-R85 PolarHBondContact OD2-NE 3.07Å; D55-R85 VanDerWaalsContact OD2-NE 3.09Å; D55-R85 IonicContact OD2-NH2 2.66Å; D55-R85 PolarHBondContact OD2-NH2 3.22Å
56	A	94.6	Very high	94.7	Very high	65 Å²	65	47.9 Å²	47.9	54%	0.537	27%	0.266	S	S	.	.	S	Bend	trans	-73.2	-19.7	177.7	0	0	0	0	0	112.8	P89 K90	A56-P89 WeakPolarHBondContact O-CA 3.44Å; A56-K90 PolarHBondContact O-N 2.8Å
57	F	95.7	Very high	94.9	Very high	53 Å²	53	48 Å²	48	23%	0.232	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.1	-177.6	-59.6	-85.3	0	0	0	111.7	D55 R85 C88 L108	D55-F57 VanDerWaalsContact C-N 3.26Å; D55-F57 PolarHBondContact O-N 3.24Å; D55-F57 PolarHBondContact OD1-N 3.32Å; F57-R85 HydrophobicContact CB-CG 3.63Å; F57-R85 HydrophobicContact CD2-CG 4.5Å; F57-R85 HydrophobicContact CG-CG 4.26Å; F57-C88 WeakPolarHBondContact CA-O 3.31Å; F57-L108 HydrophobicContact CZ-CD1 4.38Å
58	L	96.3	Very high	95.1	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	148.8	172.3	-64.6	173.5	0	0	0	110.9	N50 T86 C88 K90 L97	N50-L58 HydrophobicContact CB-CD2 4.1Å; L58-T86 VanDerWaalsContact O-CB 3.32Å; L58-T86 WeakPolarHBondContact O-CB 3.35Å; L58-T86 WeakPolarHBondContact O-CG2 3.4Å; L58-T86 PolarHBondContact O-N 2.85Å; L58-T86 PolarHBondContact O-OG1 3.39Å; L58-C88 HydrophobicContact CD1-CB 4.14Å; L58-C88 PolarHBondContact N-O 2.84Å; L58-K90 HydrophobicContact CD2-CB 4.01Å; L58-K90 HydrophobicContact CD2-CG 3.92Å; L58-K90 HydrophobicContact CG-CB 4.38Å; L58-L97 HydrophobicContact CB-CD2 3.79Å; L58-L97 HydrophobicContact CD1-CD2 3.9Å; L58-L97 HydrophobicContact CG-CD2 4.33Å
59	F	96.3	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.4	168.8	-73.8	-103.4	0	0	0	110.3	F49 N50 D55 I83 S84 R85 Q110 F112	F49-F59 HydrophobicContact CD1-CB 4.09Å; F49-F59 HydrophobicContact CD1-CD2 4.13Å; F49-F59 HydrophobicContact CD1-CG 4.11Å; F49-F59 HydrophobicContact CE1-CB 4.23Å; F49-F59 HydrophobicContact CE1-CD1 4.21Å; F49-F59 AromaticContact CE1-CD2 3.59Å; F49-F59 HydrophobicContact CE1-CD2 3.59Å; F49-F59 AromaticContact CE1-CE2 3.95Å; F49-F59 HydrophobicContact CE1-CE2 3.95Å; F49-F59 AromaticContact CE1-CG 3.74Å; F49-F59 HydrophobicContact CE1-CG 3.74Å; F49-F59 HydrophobicContact CE1-CZ 4.42Å; N50-F59 PolarHBondContact ND2-O 3.33Å; N50-F59 PolarHBondContact OD1-N 2.68Å; D55-F59 HydrophobicContact CB-CE2 3.78Å; F59-I83 HydrophobicContact CB-CB 4.28Å; F59-I83 HydrophobicContact CB-CD1 4.15Å; F59-I83 HydrophobicContact CB-CG1 4.39Å; F59-I83 HydrophobicContact CD1-CD1 4.4Å; F59-I83 HydrophobicContact CD1-CG1 4.2Å; F59-I83 HydrophobicContact CG-CD1 4.46Å; F59-S84 WeakPolarHBondContact CA-O 3.2Å; F59-S84 VanDerWaalsContact CD1-C 3.49Å; F59-R85 HydrophobicContact CD1-CB 4.18Å; F59-R85 HydrophobicContact CE1-CB 3.69Å; F59-R85 HydrophobicContact CE1-CG 4.4Å; F59-R85 HydrophobicContact CE2-CB 4.38Å; F59-R85 HydrophobicContact CE2-CG 4.23Å; F59-R85 HydrophobicContact CZ-CB 3.81Å; F59-R85 HydrophobicContact CZ-CG 4.04Å; F59-Q110 HydrophobicContact CE1-CB 4.42Å; F59-Q110 HydrophobicContact CE1-CG 4.29Å; F59-Q110 HydrophobicContact CZ-CG 4.47Å; F59-F112 HydrophobicContact CD1-CD2 4.12Å; F59-F112 HydrophobicContact CD1-CE2 4.39Å; F59-F112 AromaticContact CE1-CD2 3.62Å; F59-F112 HydrophobicContact CE1-CD2 3.62Å; F59-F112 AromaticContact CE1-CE2 3.56Å; F59-F112 HydrophobicContact CE1-CE2 3.56Å; F59-F112 HydrophobicContact CZ-CD2 4.26Å; F59-F112 AromaticContact CZ-CE2 3.72Å; F59-F112 HydrophobicContact CZ-CE2 3.72Å
60	K	96.3	Very high	95.3	Very high	46 Å²	46	46.9 Å²	46.9	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.8	179.1	-176.7	-171.8	-179.8	157.9	0	110.3	S62 I83 S84 T86 L97 D98 L102	K60-S62 PolarHBondContact O-N 2.89Å; K60-I83 CarbonylContact O-C 3.6Å; K60-I83 VanDerWaalsContact O-CA 3.26Å; K60-I83 WeakPolarHBondContact O-CA 3.47Å; K60-S84 PolarHBondContact N-O 2.91Å; K60-S84 PolarHBondContact O-N 3.47Å; K60-T86 HydrophobicContact CB-CG2 3.68Å; K60-L97 VanDerWaalsContact CD-O 3.26Å; K60-L97 WeakPolarHBondContact CD-O 2.99Å; K60-L97 WeakPolarHBondContact CE-O 3.47Å; K60-L97 PolarHBondContact NZ-O 3.4Å; K60-D98 PolarHBondContact NZ-O 2.94Å; K60-L102 HydrophobicContact CB-CD2 4.38Å
61	P	97.2	Very high	95.2	Very high	30 Å²	30	49.7 Å²	49.7	20%	0.195	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	132.6	167.4	-24.2	35.4	0	0	0	111.2	V42 A46 Q82	V42-P61 HydrophobicContact CB-CB 4.46Å; V42-P61 HydrophobicContact CB-CG 4.33Å; V42-P61 HydrophobicContact CG2-CB 4.06Å; V42-P61 HydrophobicContact CG2-CG 4.09Å; A46-P61 HydrophobicContact CB-CG 3.88Å; P61-Q82 WeakPolarHBondContact CA-O 3.46Å
62	S	96.9	Very high	95.1	Very high	45 Å²	45	48.1 Å²	48.1	32%	0.315	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-26.7	-176.6	51	0	0	0	0	113	K60 Q82 S84	K60-S62 PolarHBondContact O-N 2.89Å; S62-Q82 PolarHBondContact N-O 2.94Å; S62-Q82 WeakPolarHBondContact OG-CB 2.97Å; S62-Q82 PolarHBondContact OG-O 3.46Å; S62-Q82 VanDerWaalsContact OG-O 3.06Å; S62-S84 WeakPolarHBondContact CB-OG 3.26Å; S62-S84 PolarHBondContact OG-OG 3.16Å
63	A	97.8	Very high	95.1	Very high	37 Å²	37	54.9 Å²	54.9	31%	0.306	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	145.1	172.1	0	0	0	0	0	111	L65 F81 Q82	A63-L65 HydrophobicContact CB-CD2 4.21Å; A63-F81 CarbonylContact O-C 3.56Å; A63-F81 VanDerWaalsContact O-CA 3.29Å; A63-F81 WeakPolarHBondContact O-CA 3.39Å; A63-F81 VanDerWaalsContact O-CB 3.31Å; A63-F81 WeakPolarHBondContact O-CB 3.32Å; A63-Q82 HydrophobicContact CB-CB 4.31Å; A63-Q82 PolarHBondContact N-O 2.85Å; A63-Q82 PolarHBondContact O-N 3.22Å
64	V	98.4	Very high	95.2	Very high	25 Å²	25	53.9 Å²	53.9	15%	0.152	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.7	165.5	-177.6	0	0	0	0	108	K33 V38 V42 A67 V79	K33-V64 HydrophobicContact CB-CB 4.07Å; K33-V64 HydrophobicContact CB-CG1 3.85Å; K33-V64 HydrophobicContact CD-CG1 4.44Å; K33-V64 WeakPolarHBondContact CD-O 3.38Å; K33-V64 HydrophobicContact CG-CB 4.4Å; K33-V64 HydrophobicContact CG-CG1 3.88Å; V38-V64 HydrophobicContact CG1-CG1 4.05Å; V38-V64 HydrophobicContact CG1-CG2 4.4Å; V42-V64 HydrophobicContact CG1-CG2 4.31Å; V42-V64 HydrophobicContact CG2-CG2 4.45Å; V64-A67 HydrophobicContact CG1-CB 4.33Å; V64-V79 HydrophobicContact CG1-CG1 3.98Å
65	L	98.1	Very high	95.2	Very high	70 Å²	70	47.9 Å²	47.9	37%	0.366	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-41.7	-174.3	-53.8	-179.1	0	0	0	111.4	K33 A63 D80 Q82	K33-L65 WeakPolarHBondContact CE-O 3.36Å; K33-L65 PolarHBondContact NZ-O 2.86Å; A63-L65 HydrophobicContact CB-CD2 4.21Å; L65-D80 WeakPolarHBondContact CA-O 3.16Å; L65-D80 HydrophobicContact CB-CB 4.25Å; L65-D80 WeakPolarHBondContact CB-O 3.18Å; L65-D80 PolarHBondContact N-O 3.21Å; L65-Q82 HydrophobicContact CD1-CG 4.1Å; L65-Q82 HydrophobicContact CD2-CG 4.41Å; L65-Q82 HydrophobicContact CG-CG 4.38Å
66	R	98.3	Very high	95.3	Very high	108 Å²	108	49.3 Å²	49.3	41%	0.408	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.2	178.2	173.5	176.9	161.9	-162.5	0.1	109.4	Q68 V79 D80	R66-Q68 HydrophobicContact CG-CG 4.31Å; R66-Q68 VanDerWaalsContact NE-CD 3.3Å; R66-V79 WeakPolarHBondContact O-CA 3.18Å; R66-V79 WeakPolarHBondContact O-CG1 3.37Å; R66-D80 HydrophobicContact CB-CB 4.07Å; R66-D80 PolarHBondContact N-O 2.92Å; R66-D80 IonicContact NH1-OD2 3.79Å; R66-D80 PolarHBondContact O-N 2.93Å
67	A	98.4	Very high	95.4	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	123.6	174.4	0	0	0	0	0	109.4	I31 K33 V38 V64	I31-A67 HydrophobicContact CD1-CB 4.49Å; I31-A67 HydrophobicContact CG1-CB 3.94Å; I31-A67 PolarHBondContact N-O 2.9Å; K33-A67 HydrophobicContact CG-CB 4.26Å; V38-A67 HydrophobicContact CG1-CB 4.08Å; V38-A67 HydrophobicContact CG2-CB 3.85Å; V64-A67 HydrophobicContact CG1-CB 4.33Å
68	Q	97.5	Very high	95.4	Very high	24 Å²	24	45.3 Å²	45.3	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.6	177.9	-70.1	-173.2	-28.1	0	0	111.2	P28 Y29 D30 R66 Y77 I78	P28-Q68 HydrophobicContact CB-CB 4.36Å; Y29-Q68 CarbonylContact O-C 3.58Å; Y29-Q68 WeakPolarHBondContact O-CA 3.44Å; Y29-Q68 WeakPolarHBondContact O-CB 3.37Å; D30-Q68 WeakPolarHBondContact OD1-CG 3.31Å; D30-Q68 PolarHBondContact OD1-NE2 2.99Å; R66-Q68 HydrophobicContact CG-CG 4.31Å; R66-Q68 VanDerWaalsContact NE-CD 3.3Å; Q68-Y77 WeakPolarHBondContact O-CA 3.42Å; Q68-I78 HydrophobicContact CB-CB 4.3Å; Q68-I78 PolarHBondContact N-O 2.85Å; Q68-I78 PolarHBondContact O-N 2.98Å
69	Q	95.3	Very high	95.5	Very high	33 Å²	33	44.3 Å²	44.3	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.3	173.9	-175.4	176.5	-41.6	0	0	110.2	P28 Y29 I31 I75 R76 Y77	P28-Q69 WeakPolarHBondContact CA-O 3.32Å; Y29-Q69 WeakPolarHBondContact CD1-O 3.46Å; Y29-Q69 HydrophobicContact CE1-CB 4.25Å; Y29-Q69 HydrophobicContact CE1-CG 4.42Å; Y29-Q69 WeakPolarHBondContact CE1-O 3.33Å; Y29-Q69 HydrophobicContact CE2-CB 4.25Å; Y29-Q69 PolarHBondContact N-O 2.82Å; Y29-Q69 PolarHBondContact O-N 2.84Å; Y29-Q69 PolarHBondContact OH-NE2 3.07Å; Y29-Q69 VanDerWaalsContact OH-NE2 3.09Å; I31-Q69 HydrophobicContact CD1-CB 4.18Å; I31-Q69 HydrophobicContact CG1-CB 4.49Å; I31-Q69 HydrophobicContact CG2-CB 3.66Å; Q69-I75 HydrophobicContact CG-CG2 3.69Å; Q69-R76 CarbonylContact C-O 3.48Å; Q69-R76 WeakPolarHBondContact CA-O 3.32Å; Q69-Y77 HydrophobicContact CG-CE1 4.33Å
70	Q	94.6	Very high	95.6	Very high	30 Å²	30	46.2 Å²	46.2	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.4	175.3	-173.4	-173.5	12.8	0	0	109.3	G26 P28 V72 R76	G26-Q70 PolarHBondContact O-NE2 2.95Å; P28-Q70 HydrophobicContact CB-CB 4.5Å; P28-Q70 HydrophobicContact CG-CB 4.29Å; P28-Q70 HydrophobicContact CG-CG 4.25Å; Q70-V72 HydrophobicContact CG-CG1 3.87Å; Q70-V72 HydrophobicContact CG-CG2 4.06Å; Q70-R76 HydrophobicContact CB-CB 4.29Å; Q70-R76 PolarHBondContact N-O 3.06Å; Q70-R76 PolarHBondContact O-N 2.9Å
71	V	92.3	Very high	95.7	Very high	69 Å²	69	44 Å²	44	42%	0.418	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	107	177.2	-178.4	0	0	0	0	108.8	G26	G26-V71 PolarHBondContact N-O 3.06Å; G26-V71 VanDerWaalsContact N-O 3.17Å
72	V	89.5	Confident	95.8	Very high	48 Å²	48	44.4 Å²	44.4	29%	0.291	22%	0.216	S	C	.	.	S	Bend	trans	-148.8	85.4	-173.4	-81.2	0	0	0	0	111	Q70 G74 R76 W119	Q70-V72 HydrophobicContact CG-CG1 3.87Å; Q70-V72 HydrophobicContact CG-CG2 4.06Å; V72-G74 PolarHBondContact N-O 3.07Å; V72-G74 PolarHBondContact O-N 2.76Å; V72-R76 HydrophobicContact CG2-CB 4.09Å; V72-W119 PolarHBondContact O-NE1 2.83Å
73	R	88.8	Confident	95.8	Very high	222 Å²	222	42.3 Å²	42.3	84%	0.838	20%	0.201	S	C	*	.	S	Bend	trans	47.6	33.6	-174	-61.7	-176.2	175.3	-143.6	-0.8	113	W119 W123	R73-W119 HydrophobicContact CB-CZ2 4.43Å; R73-W123 VanDerWaalsContact C-CZ2 3.43Å; R73-W123 VanDerWaalsContact O-CZ2 3.27Å; R73-W123 WeakPolarHBondContact O-CZ2 3.15Å
74	G	91.6	Very high	95.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	19%	0.19	C	C	.	.	S	Bend	trans	157.1	-172.2	-172.9	0	0	0	0	0	108.4	V72 L120	V72-G74 PolarHBondContact N-O 3.07Å; V72-G74 PolarHBondContact O-N 2.76Å; G74-L120 CarbonylContact C-O 3.49Å; G74-L120 WeakPolarHBondContact CA-O 3.4Å
75	I	92.4	Very high	95.7	Very high	43 Å²	43	41.2 Å²	41.2	22%	0.221	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.5	173.5	-56.7	176.8	0	0	0	107.1	Q69 Y77 L120 P122	Q69-I75 HydrophobicContact CG-CG2 3.69Å; I75-Y77 HydrophobicContact CB-CE2 4.41Å; I75-Y77 HydrophobicContact CG2-CD2 4.22Å; I75-Y77 HydrophobicContact CG2-CE1 4.25Å; I75-Y77 HydrophobicContact CG2-CE2 3.62Å; I75-L120 PolarHBondContact N-O 2.89Å; I75-L120 PolarHBondContact O-N 2.9Å; I75-P122 HydrophobicContact CD1-CG 3.89Å; I75-P122 HydrophobicContact CG1-CG 4.14Å
76	R	94.7	Very high	95.6	Very high	62 Å²	62	37.9 Å²	37.9	23%	0.234	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.6	175.5	-173	174.8	-178.8	-115.2	14.1	109.2	Q69 Q70 V72 I78 E117 L118	Q69-R76 CarbonylContact C-O 3.48Å; Q69-R76 WeakPolarHBondContact CA-O 3.32Å; Q70-R76 HydrophobicContact CB-CB 4.29Å; Q70-R76 PolarHBondContact N-O 3.06Å; Q70-R76 PolarHBondContact O-N 2.9Å; V72-R76 HydrophobicContact CG2-CB 4.09Å; R76-I78 HydrophobicContact CG-CG1 4.33Å; R76-E117 IonicContact CZ-OE1 3.36Å; R76-E117 IonicContact CZ-OE2 3.36Å; R76-E117 IonicContact NE-OE2 3.66Å; R76-E117 IonicContact NH1-OE1 3.75Å; R76-E117 IonicContact NH2-OE1 2.67Å; R76-E117 PolarHBondContact NH2-OE1 2.8Å; R76-E117 IonicContact NH2-OE2 2.55Å; R76-E117 PolarHBondContact NH2-OE2 2.91Å; R76-L118 CarbonylContact C-O 3.54Å; R76-L118 WeakPolarHBondContact CA-O 3.09Å
77	Y	96.3	Very high	95.5	Very high	23 Å²	23	35.8 Å²	35.8	9%	0.09	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.3	170.2	-63.8	-80.9	0	0	0	109.2	I31 A37 Q68 Q69 I75 E117 L118 L120	I31-Y77 HydrophobicContact CD1-CD1 3.85Å; I31-Y77 HydrophobicContact CD1-CE1 3.92Å; A37-Y77 HydrophobicContact CB-CE1 4.01Å; A37-Y77 WeakPolarHBondContact CB-OH 3.38Å; Q68-Y77 WeakPolarHBondContact O-CA 3.42Å; Q69-Y77 HydrophobicContact CG-CE1 4.33Å; I75-Y77 HydrophobicContact CB-CE2 4.41Å; I75-Y77 HydrophobicContact CG2-CD2 4.22Å; I75-Y77 HydrophobicContact CG2-CE1 4.25Å; I75-Y77 HydrophobicContact CG2-CE2 3.62Å; Y77-E117 CarbonylContact O-C 3.52Å; Y77-E117 VanDerWaalsContact O-CA 3.3Å; Y77-E117 WeakPolarHBondContact O-CA 3.35Å; Y77-L118 PolarHBondContact N-O 3.36Å; Y77-L118 PolarHBondContact O-N 3.49Å; Y77-L120 HydrophobicContact CD2-CD1 4.4Å; Y77-L120 HydrophobicContact CE2-CD1 3.84Å; Y77-L120 HydrophobicContact CE2-CG 4.42Å
78	I	97.4	Very high	95.4	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.051	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111	177.2	-51	166.3	0	0	0	106.3	P28 Q68 R76 L116 E117	P28-I78 HydrophobicContact CB-CD1 4.1Å; P28-I78 HydrophobicContact CG-CD1 3.93Å; Q68-I78 HydrophobicContact CB-CB 4.3Å; Q68-I78 PolarHBondContact N-O 2.85Å; Q68-I78 PolarHBondContact O-N 2.98Å; R76-I78 HydrophobicContact CG-CG1 4.33Å; I78-L116 CarbonylContact C-O 3.59Å; I78-L116 WeakPolarHBondContact CA-O 3.48Å; I78-E117 HydrophobicContact CG2-CG 4.49Å
79	V	98.5	Very high	95.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.4	-168.5	-168.9	0	0	0	0	110.3	V38 V42 V64 R66 F81 L116	V38-V79 HydrophobicContact CG1-CG1 4.22Å; V42-V79 HydrophobicContact CG1-CG1 3.75Å; V64-V79 HydrophobicContact CG1-CG1 3.98Å; R66-V79 WeakPolarHBondContact O-CA 3.18Å; R66-V79 WeakPolarHBondContact O-CG1 3.37Å; V79-F81 HydrophobicContact CG1-CB 4.35Å; V79-F81 HydrophobicContact CG1-CD1 4.38Å; V79-L116 HydrophobicContact CB-CB 4.35Å; V79-L116 PolarHBondContact N-O 3.39Å; V79-L116 PolarHBondContact O-N 3.24Å
80	D	98.3	Very high	95	Very high	40 Å²	40	40.3 Å²	40.3	21%	0.214	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.7	166.8	-59.9	-48.2	0	0	0	108.3	L65 R66 C114 H115	L65-D80 WeakPolarHBondContact CA-O 3.16Å; L65-D80 HydrophobicContact CB-CB 4.25Å; L65-D80 WeakPolarHBondContact CB-O 3.18Å; L65-D80 PolarHBondContact N-O 3.21Å; R66-D80 HydrophobicContact CB-CB 4.07Å; R66-D80 PolarHBondContact N-O 2.92Å; R66-D80 IonicContact NH1-OD2 3.79Å; R66-D80 PolarHBondContact O-N 2.93Å; D80-C114 WeakPolarHBondContact CA-O 3.15Å; D80-H115 IonicContact OD1-CE1 3.75Å; D80-H115 IonicContact OD1-CG 3.67Å; D80-H115 IonicContact OD1-ND1 2.75Å; D80-H115 PolarHBondContact OD1-ND1 2.86Å
81	F	98.3	Very high	94.7	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	174.6	-173.6	71.3	-69.4	0	0	0	111.5	V42 A45 A63 V79 I83 C114 L116 L132	V42-F81 HydrophobicContact CB-CD2 3.83Å; V42-F81 HydrophobicContact CB-CE2 4.01Å; V42-F81 HydrophobicContact CB-CG 4.29Å; V42-F81 HydrophobicContact CG1-CB 4.04Å; V42-F81 HydrophobicContact CG1-CD1 4.15Å; V42-F81 HydrophobicContact CG1-CD2 3.83Å; V42-F81 HydrophobicContact CG1-CE2 4.28Å; V42-F81 HydrophobicContact CG1-CG 3.75Å; A45-F81 HydrophobicContact CB-CE1 4.42Å; A45-F81 HydrophobicContact CB-CE2 4.31Å; A45-F81 HydrophobicContact CB-CZ 3.63Å; A63-F81 CarbonylContact O-C 3.56Å; A63-F81 VanDerWaalsContact O-CA 3.29Å; A63-F81 WeakPolarHBondContact O-CA 3.39Å; A63-F81 VanDerWaalsContact O-CB 3.31Å; A63-F81 WeakPolarHBondContact O-CB 3.32Å; V79-F81 HydrophobicContact CG1-CB 4.35Å; V79-F81 HydrophobicContact CG1-CD1 4.38Å; F81-I83 HydrophobicContact CD2-CG2 3.95Å; F81-I83 HydrophobicContact CE2-CG2 3.44Å; F81-I83 VanDerWaalsContact CE2-CG2 3.44Å; F81-I83 HydrophobicContact CZ-CG2 4.39Å; F81-C114 HydrophobicContact CD1-CB 3.76Å; F81-C114 HydrophobicContact CD2-CB 4.47Å; F81-C114 HydrophobicContact CE1-CB 3.3Å; F81-C114 HydrophobicContact CE2-CB 4.12Å; F81-C114 HydrophobicContact CG-CB 4.31Å; F81-C114 HydrophobicContact CZ-CB 3.51Å; F81-C114 PolarHBondContact N-O 3.17Å; F81-C114 PolarHBondContact O-N 3.14Å; F81-L116 HydrophobicContact CD1-CB 4.37Å; F81-L116 HydrophobicContact CE1-CB 3.73Å; F81-L132 HydrophobicContact CE1-CD1 3.86Å; F81-L132 HydrophobicContact CZ-CD1 3.79Å
82	Q	97.8	Very high	94.3	Very high	37 Å²	37	50.7 Å²	50.7	17%	0.173	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.9	175.8	-68.6	-178.9	-5.8	0	0	110.6	P61 S62 A63 L65 T111 F112 R113	P61-Q82 WeakPolarHBondContact CA-O 3.46Å; S62-Q82 PolarHBondContact N-O 2.94Å; S62-Q82 WeakPolarHBondContact OG-CB 2.97Å; S62-Q82 PolarHBondContact OG-O 3.46Å; S62-Q82 VanDerWaalsContact OG-O 3.06Å; A63-Q82 HydrophobicContact CB-CB 4.31Å; A63-Q82 PolarHBondContact N-O 2.85Å; A63-Q82 PolarHBondContact O-N 3.22Å; L65-Q82 HydrophobicContact CD1-CG 4.1Å; L65-Q82 HydrophobicContact CD2-CG 4.41Å; L65-Q82 HydrophobicContact CG-CG 4.38Å; Q82-T111 HydrophobicContact CB-CG2 3.95Å; Q82-T111 HydrophobicContact CG-CG2 4.18Å; Q82-F112 VanDerWaalsContact CA-O 3.23Å; Q82-F112 WeakPolarHBondContact CA-O 3.39Å; Q82-R113 HydrophobicContact CG-CG 4.1Å
83	I	97.4	Very high	93.4	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.3	164.9	63.1	178.9	0	0	0	109.2	A46 F49 F59 K60 F81 T111 F112	A46-I83 HydrophobicContact CB-CG2 4.19Å; F49-I83 HydrophobicContact CB-CD1 3.95Å; F49-I83 HydrophobicContact CD1-CD1 3.41Å; F49-I83 VanDerWaalsContact CD1-CD1 3.41Å; F49-I83 HydrophobicContact CD2-CD1 3.64Å; F49-I83 HydrophobicContact CE1-CD1 3.72Å; F49-I83 HydrophobicContact CE2-CD1 3.93Å; F49-I83 HydrophobicContact CG-CD1 3.36Å; F49-I83 HydrophobicContact CZ-CD1 3.96Å; F59-I83 HydrophobicContact CB-CB 4.28Å; F59-I83 HydrophobicContact CB-CD1 4.15Å; F59-I83 HydrophobicContact CB-CG1 4.39Å; F59-I83 HydrophobicContact CD1-CD1 4.4Å; F59-I83 HydrophobicContact CD1-CG1 4.2Å; F59-I83 HydrophobicContact CG-CD1 4.46Å; K60-I83 CarbonylContact O-C 3.6Å; K60-I83 VanDerWaalsContact O-CA 3.26Å; K60-I83 WeakPolarHBondContact O-CA 3.47Å; F81-I83 HydrophobicContact CD2-CG2 3.95Å; F81-I83 HydrophobicContact CE2-CG2 3.44Å; F81-I83 VanDerWaalsContact CE2-CG2 3.44Å; F81-I83 HydrophobicContact CZ-CG2 4.39Å; I83-T111 CarbonylContact O-C 3.55Å; I83-T111 VanDerWaalsContact O-CA 3.32Å; I83-T111 WeakPolarHBondContact O-CA 3.5Å; I83-F112 HydrophobicContact CD1-CB 4.31Å; I83-F112 HydrophobicContact CG1-CB 3.8Å; I83-F112 HydrophobicContact CG1-CD2 4.48Å; I83-F112 PolarHBondContact N-O 3.06Å; I83-F112 PolarHBondContact O-N 3.42Å
84	S	96.8	Very high	92.6	Very high	12 Å²	12	55.3 Å²	55.3	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.3	-178.9	-65.9	0	0	0	0	111	F59 K60 S62 Q110 T111	F59-S84 WeakPolarHBondContact CA-O 3.2Å; F59-S84 VanDerWaalsContact CD1-C 3.49Å; K60-S84 PolarHBondContact N-O 2.91Å; K60-S84 PolarHBondContact O-N 3.47Å; S62-S84 WeakPolarHBondContact CB-OG 3.26Å; S62-S84 PolarHBondContact OG-OG 3.16Å; S84-Q110 CarbonylContact C-O 3.53Å; S84-Q110 WeakPolarHBondContact CA-O 3.4Å; S84-T111 WeakPolarHBondContact OG-CG2 3.48Å; S84-T111 PolarHBondContact OG-OG1 3.07Å
85	R	96.9	Very high	91.8	Very high	28 Å²	28	56.6 Å²	56.6	11%	0.106	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	138.6	179.8	-167.1	-173.8	-81.2	133.5	-6	109.8	D55 F57 F59 Q103 L108 Q110	D55-R85 IonicContact OD1-NE 3.3Å; D55-R85 PolarHBondContact OD1-NE 3.46Å; D55-R85 IonicContact OD1-NH2 3.99Å; D55-R85 IonicContact OD2-CZ 3.29Å; D55-R85 VanDerWaalsContact OD2-CZ 3.29Å; D55-R85 IonicContact OD2-NE 3.09Å; D55-R85 PolarHBondContact OD2-NE 3.07Å; D55-R85 VanDerWaalsContact OD2-NE 3.09Å; D55-R85 IonicContact OD2-NH2 2.66Å; D55-R85 PolarHBondContact OD2-NH2 3.22Å; F57-R85 HydrophobicContact CB-CG 3.63Å; F57-R85 HydrophobicContact CD2-CG 4.5Å; F57-R85 HydrophobicContact CG-CG 4.26Å; F59-R85 HydrophobicContact CD1-CB 4.18Å; F59-R85 HydrophobicContact CE1-CB 3.69Å; F59-R85 HydrophobicContact CE1-CG 4.4Å; F59-R85 HydrophobicContact CE2-CB 4.38Å; F59-R85 HydrophobicContact CE2-CG 4.23Å; F59-R85 HydrophobicContact CZ-CB 3.81Å; F59-R85 HydrophobicContact CZ-CG 4.04Å; R85-Q103 HydrophobicContact CB-CG 4.14Å; R85-Q103 HydrophobicContact CG-CG 4.01Å; R85-Q103 PolarHBondContact O-N 2.96Å; R85-L108 WeakPolarHBondContact CD-O 3.49Å; R85-L108 PolarHBondContact NH1-O 2.86Å; R85-Q110 HydrophobicContact CB-CB 4.28Å; R85-Q110 VanDerWaalsContact CZ-OE1 3.28Å; R85-Q110 PolarHBondContact N-O 3.22Å
86	T	97.3	Very high	91.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	169.4	177.2	71.4	0	0	0	0	111.7	L58 K60 C88 C100 H101 L102 Q103	L58-T86 VanDerWaalsContact O-CB 3.32Å; L58-T86 WeakPolarHBondContact O-CB 3.35Å; L58-T86 WeakPolarHBondContact O-CG2 3.4Å; L58-T86 PolarHBondContact O-N 2.85Å; L58-T86 PolarHBondContact O-OG1 3.39Å; K60-T86 HydrophobicContact CB-CG2 3.68Å; T86-C88 PolarHBondContact OG1-N 2.03Å; T86-C100 HydrophobicContact CG2-CB 4Å; T86-H101 CarbonylContact C-O 3.55Å; T86-H101 WeakPolarHBondContact CA-O 3.37Å; T86-H101 WeakPolarHBondContact CB-O 3.43Å; T86-L102 HydrophobicContact CG2-CD2 4.3Å; T86-Q103 WeakPolarHBondContact O-CG 3.36Å; T86-Q103 PolarHBondContact O-NE2 3.45Å; T86-Q103 VanDerWaalsContact O-NE2 3.09Å
87	V	95.8	Very high	91	Very high	64 Å²	64	55.7 Å²	55.7	39%	0.388	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-10.3	170.3	-58.4	0	0	0	0	112.7	H101	V87-H101 HydrophobicContact CG2-CB 4.18Å; V87-H101 PolarHBondContact N-O 3.26Å
88	C	95.7	Very high	90.6	Very high	21 Å²	21	59.7 Å²	59.7	14%	0.142	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.5	-177.3	-71.8	0	0	0	0	111.6	F57 L58 T86 C100	F57-C88 WeakPolarHBondContact CA-O 3.31Å; L58-C88 HydrophobicContact CD1-CB 4.14Å; L58-C88 PolarHBondContact N-O 2.84Å; T86-C88 PolarHBondContact OG1-N 2.03Å; C88-C100 HydrophobicContact CB-CB 3.88Å; C88-C100 WeakPolarHBondContact CB-SG 3.37Å; C88-C100 WeakPolarHBondContact SG-CA 3.48Å; C88-C100 WeakPolarHBondContact SG-CB 3.49Å; C88-C100 CovalentContact SG-SG 2.03Å; C88-C100 PolarHBondContact SG-SG 3.2Å
89	P	94.3	Very high	90.2	Very high	63 Å²	63	69 Å²	69	41%	0.409	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136	175.2	29.3	-32.6	0	0	0	111.3	A56 R91 N92	A56-P89 WeakPolarHBondContact O-CA 3.44Å; P89-R91 PolarHBondContact O-N 2.94Å; P89-N92 HydrophobicContact CG-CB 4.12Å; P89-N92 PolarHBondContact O-N 3.04Å; P89-N92 VanDerWaalsContact O-N 3.15Å
90	K	91.4	Very high	89.9	Confident	72 Å²	72	69.1 Å²	69.1	31%	0.313	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-29.5	-179.9	-177	178	171.5	-178.3	0	113.2	N50 S51 S53 A56 L58 N92	N50-K90 WeakPolarHBondContact O-CE 3.41Å; N50-K90 PolarHBondContact O-NZ 2.92Å; S51-K90 PolarHBondContact O-NZ 2.63Å; S53-K90 PolarHBondContact O-NZ 3.25Å; A56-K90 PolarHBondContact O-N 2.8Å; L58-K90 HydrophobicContact CD2-CB 4.01Å; L58-K90 HydrophobicContact CD2-CG 3.92Å; L58-K90 HydrophobicContact CG-CB 4.38Å; K90-N92 PolarHBondContact O-N 2.85Å
91	R	87.1	Confident	89.8	Confident	239 Å²	239	74.2 Å²	74.2	90%	0.902	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.4	179.2	-65.8	-175.4	-179	-174.8	0.1	113.2	P89 R93	P89-R91 PolarHBondContact O-N 2.94Å; R91-R93 PolarHBondContact O-N 2.88Å
92	N	84.8	Confident	89.7	Confident	77 Å²	77	78 Å²	78	41%	0.412	37%	0.368	S	S	.	.			trans	-86	98.4	177.3	-174.6	10	0	0	0	110.6	P89 K90 T94 S95	P89-N92 HydrophobicContact CG-CB 4.12Å; P89-N92 PolarHBondContact O-N 3.04Å; P89-N92 VanDerWaalsContact O-N 3.15Å; K90-N92 PolarHBondContact O-N 2.85Å; N92-T94 PolarHBondContact O-N 3.1Å; N92-T94 PolarHBondContact OD1-N 3.03Å; N92-T94 PolarHBondContact OD1-OG1 2.92Å; N92-S95 WeakPolarHBondContact CB-OG 3.26Å; N92-S95 WeakPolarHBondContact O-CB 3.35Å; N92-S95 PolarHBondContact O-N 3.3Å; N92-S95 PolarHBondContact O-OG 3.43Å
93	R	69.5	Low	89.6	Confident	247 Å²	247	77.7 Å²	77.7	93%	0.932	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.3	-175.2	-65.9	-174	178.2	160.3	-0.7	115.1	R91	R91-R93 PolarHBondContact O-N 2.88Å
94	T	72.8	Confident	89.6	Confident	121 Å²	121	81.5 Å²	81.5	74%	0.742	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2.6	177.3	60.2	0	0	0	0	113.1	N92 D96	N92-T94 PolarHBondContact O-N 3.1Å; N92-T94 PolarHBondContact OD1-N 3.03Å; N92-T94 PolarHBondContact OD1-OG1 2.92Å; T94-D96 PolarHBondContact O-N 3.3Å; T94-D96 VanDerWaalsContact O-N 3.12Å
95	S	75	Confident	89.4	Confident	28 Å²	28	87.1 Å²	87.1	20%	0.196	43%	0.428	C	S	.	.			trans	-71.2	108.1	-177.2	-53	0	0	0	0	110.8	N92	N92-S95 WeakPolarHBondContact CB-OG 3.26Å; N92-S95 WeakPolarHBondContact O-CB 3.35Å; N92-S95 PolarHBondContact O-N 3.3Å; N92-S95 PolarHBondContact O-OG 3.43Å
96	D	82.5	Confident	89.2	Confident	79 Å²	79	88.4 Å²	88.4	42%	0.422	45%	0.449	S	S	.	.			trans	-75.1	118	167.4	177.2	4.5	0	0	0	109.6	T94 D98 R99 C100	T94-D96 PolarHBondContact O-N 3.3Å; T94-D96 VanDerWaalsContact O-N 3.12Å; D96-D98 PolarHBondContact O-N 3.27Å; D96-D98 VanDerWaalsContact O-N 3.17Å; D96-D98 WeakPolarHBondContact OD1-CB 3.34Å; D96-D98 PolarHBondContact OD1-N 3.15Å; D96-R99 HydrophobicContact CB-CB 4.37Å; D96-R99 HydrophobicContact CB-CG 4.26Å; D96-R99 PolarHBondContact O-N 3.45Å; D96-C100 PolarHBondContact O-N 3.12Å; D96-C100 PolarHBondContact O-SG 2.92Å
97	L	87.3	Confident	89	Confident	7 Å²	7	99.8 Å²	99.8	4%	0.037	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-57.2	-30.2	179.4	-74.6	-178.2	0	0	0	112	L43 H47 L58 K60 R99 C100	L43-L97 HydrophobicContact CD1-CD1 4.11Å; H47-L97 WeakPolarHBondContact CE1-CD1 3.3Å; L58-L97 HydrophobicContact CB-CD2 3.79Å; L58-L97 HydrophobicContact CD1-CD2 3.9Å; L58-L97 HydrophobicContact CG-CD2 4.33Å; K60-L97 VanDerWaalsContact CD-O 3.26Å; K60-L97 WeakPolarHBondContact CD-O 2.99Å; K60-L97 WeakPolarHBondContact CE-O 3.47Å; K60-L97 PolarHBondContact NZ-O 3.4Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.92Å; L97-C100 PolarHBondContact O-N 3.17Å
98	D	86.9	Confident	88.8	Confident	107 Å²	107	100.4 Å²	100.4	57%	0.572	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-66.8	-33.3	179.5	-74	-21.3	0	0	0	111.7	K60 D96	K60-D98 PolarHBondContact NZ-O 2.94Å; D96-D98 PolarHBondContact O-N 3.27Å; D96-D98 VanDerWaalsContact O-N 3.17Å; D96-D98 WeakPolarHBondContact OD1-CB 3.34Å; D96-D98 PolarHBondContact OD1-N 3.15Å
99	R	89.3	Confident	88.8	Confident	204 Å²	204	101.6 Å²	101.6	77%	0.77	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-87.7	-7.4	177.7	-60	179.3	69.2	173.6	2.4	113.8	D96 L97 H101	D96-R99 HydrophobicContact CB-CB 4.37Å; D96-R99 HydrophobicContact CB-CG 4.26Å; D96-R99 PolarHBondContact O-N 3.45Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.92Å; R99-H101 PolarHBondContact O-N 3.18Å
100	C	92.9	Very high	88.8	Confident	4 Å²	4	99.7 Å²	99.7	3%	0.027	49%	0.49	C	S	.	.			trans	-81.3	115.9	179.2	-72.8	0	0	0	0	112.1	T86 C88 D96 L97	T86-C100 HydrophobicContact CG2-CB 4Å; C88-C100 HydrophobicContact CB-CB 3.88Å; C88-C100 WeakPolarHBondContact CB-SG 3.37Å; C88-C100 WeakPolarHBondContact SG-CA 3.48Å; C88-C100 WeakPolarHBondContact SG-CB 3.49Å; C88-C100 CovalentContact SG-SG 2.03Å; C88-C100 PolarHBondContact SG-SG 3.2Å; D96-C100 PolarHBondContact O-N 3.12Å; D96-C100 PolarHBondContact O-SG 2.92Å; L97-C100 PolarHBondContact O-N 3.17Å
101	H	95.4	Very high	89	Confident	146 Å²	146	99.2 Å²	99.2	68%	0.676	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-72.4	147	173.9	-61.1	-63.4	0	0	0	111.7	T86 V87 R99	T86-H101 CarbonylContact C-O 3.55Å; T86-H101 WeakPolarHBondContact CA-O 3.37Å; T86-H101 WeakPolarHBondContact CB-O 3.43Å; V87-H101 HydrophobicContact CG2-CB 4.18Å; V87-H101 PolarHBondContact N-O 3.26Å; R99-H101 PolarHBondContact O-N 3.18Å
102	L	97	Very high	89.4	Confident	80 Å²	80	88 Å²	88	42%	0.419	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-65.7	151.4	173	-59.1	-175.6	0	0	0	110.8	K60 T86	K60-L102 HydrophobicContact CB-CD2 4.38Å; T86-L102 HydrophobicContact CG2-CD2 4.3Å
103	Q	96.6	Very high	90	Very high	31 Å²	31	92.1 Å²	92.1	15%	0.145	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-60	134.2	169.7	-75.5	-72.6	-1.9	0	0	109.8	R85 T86 L108	R85-Q103 HydrophobicContact CB-CG 4.14Å; R85-Q103 HydrophobicContact CG-CG 4.01Å; R85-Q103 PolarHBondContact O-N 2.96Å; T86-Q103 WeakPolarHBondContact O-CG 3.36Å; T86-Q103 PolarHBondContact O-NE2 3.45Å; T86-Q103 VanDerWaalsContact O-NE2 3.09Å; Q103-L108 HydrophobicContact CG-CB 4.34Å
104	P	95.5	Very high	91.3	Very high	81 Å²	81	80.6 Å²	80.6	53%	0.526	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-64.8	162.1	171.1	29.5	-35	0	0	0	110.6	G106	P104-G106 PolarHBondContact O-N 3.09Å
105	P	93.8	Very high	92.5	Very high	131 Å²	131	77.5 Å²	77.5	85%	0.851	40%	0.395	S	S	*	.	S	Bend	trans	-52.1	135.1	174.9	-25.7	34.6	0	0	0	112
106	G	92.9	Very high	93.5	Very high	54 Å²	54	76.2 Å²	76.2	56%	0.557	39%	0.386	S	S	*	.	S	Bend	trans	148.8	-164.9	-179.2	0	0	0	0	0	112.4	P104 L108 A109	P104-G106 PolarHBondContact O-N 3.09Å; G106-L108 PolarHBondContact O-N 3Å; G106-A109 VanDerWaalsContact O-CB 3.32Å; G106-A109 WeakPolarHBondContact O-CB 2.95Å; G106-A109 PolarHBondContact O-N 3.34Å
107	R	91.8	Very high	94.1	Very high	240 Å²	240	74.2 Å²	74.2	91%	0.906	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26	-173.5	-166.5	175.4	67.5	-173.9	0.2	114.1
108	L	93.3	Very high	94.4	Very high	76 Å²	76	74.7 Å²	74.7	40%	0.398	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.1	177.8	-61	-179	0	0	0	112.9	F57 R85 Q103 G106 Q110	F57-L108 HydrophobicContact CZ-CD1 4.38Å; R85-L108 WeakPolarHBondContact CD-O 3.49Å; R85-L108 PolarHBondContact NH1-O 2.86Å; Q103-L108 HydrophobicContact CG-CB 4.34Å; G106-L108 PolarHBondContact O-N 3Å; L108-Q110 PolarHBondContact O-N 3.5Å
109	A	94.3	Very high	94.8	Very high	47 Å²	47	73.8 Å²	73.8	39%	0.388	37%	0.365	S	S	.	.			trans	-67.1	125.6	175.2	0	0	0	0	0	109.5	G106	G106-A109 VanDerWaalsContact O-CB 3.32Å; G106-A109 WeakPolarHBondContact O-CB 2.95Å; G106-A109 PolarHBondContact O-N 3.34Å
110	Q	94.8	Very high	94.9	Very high	23 Å²	23	66.3 Å²	66.3	11%	0.107	34%	0.341	C	S	.	.			trans	-149.6	134.8	177.5	-177.2	163.1	4.6	0	0	110.9	F59 S84 R85 L108 F112 Q139	F59-Q110 HydrophobicContact CE1-CB 4.42Å; F59-Q110 HydrophobicContact CE1-CG 4.29Å; F59-Q110 HydrophobicContact CZ-CG 4.47Å; S84-Q110 CarbonylContact C-O 3.53Å; S84-Q110 WeakPolarHBondContact CA-O 3.4Å; R85-Q110 HydrophobicContact CB-CB 4.28Å; R85-Q110 VanDerWaalsContact CZ-OE1 3.28Å; R85-Q110 PolarHBondContact N-O 3.22Å; L108-Q110 PolarHBondContact O-N 3.5Å; Q110-F112 HydrophobicContact CG-CD2 4.33Å; Q110-F112 HydrophobicContact CG-CE2 3.86Å; Q110-Q139 VanDerWaalsContact NE2-CD 3.25Å
111	T	95.7	Very high	94.7	Very high	62 Å²	62	67 Å²	67	38%	0.38	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.9	178.6	-58	0	0	0	0	109.7	Q82 I83 S84	Q82-T111 HydrophobicContact CB-CG2 3.95Å; Q82-T111 HydrophobicContact CG-CG2 4.18Å; I83-T111 CarbonylContact O-C 3.55Å; I83-T111 VanDerWaalsContact O-CA 3.32Å; I83-T111 WeakPolarHBondContact O-CA 3.5Å; S84-T111 WeakPolarHBondContact OG-CG2 3.48Å; S84-T111 PolarHBondContact OG-OG1 3.07Å
112	F	96.4	Very high	94.3	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.4	169.7	-69	-103.7	0	0	0	109.4	F49 F59 Q82 I83 Q110 C134 R135 S136 V142	F49-F112 HydrophobicContact CE1-CE2 4.49Å; F49-F112 HydrophobicContact CE2-CD1 4.4Å; F49-F112 HydrophobicContact CE2-CE1 4.49Å; F49-F112 HydrophobicContact CE2-CG 4.5Å; F49-F112 HydrophobicContact CZ-CD1 4.36Å; F49-F112 AromaticContact CZ-CD2 3.99Å; F49-F112 HydrophobicContact CZ-CD2 3.99Å; F49-F112 HydrophobicContact CZ-CE1 4.23Å; F49-F112 AromaticContact CZ-CE2 3.83Å; F49-F112 HydrophobicContact CZ-CE2 3.83Å; F49-F112 HydrophobicContact CZ-CG 4.26Å; F49-F112 AromaticContact CZ-CZ 3.97Å; F49-F112 HydrophobicContact CZ-CZ 3.97Å; F59-F112 HydrophobicContact CD1-CD2 4.12Å; F59-F112 HydrophobicContact CD1-CE2 4.39Å; F59-F112 AromaticContact CE1-CD2 3.62Å; F59-F112 HydrophobicContact CE1-CD2 3.62Å; F59-F112 AromaticContact CE1-CE2 3.56Å; F59-F112 HydrophobicContact CE1-CE2 3.56Å; F59-F112 HydrophobicContact CZ-CD2 4.26Å; F59-F112 AromaticContact CZ-CE2 3.72Å; F59-F112 HydrophobicContact CZ-CE2 3.72Å; Q82-F112 VanDerWaalsContact CA-O 3.23Å; Q82-F112 WeakPolarHBondContact CA-O 3.39Å; I83-F112 HydrophobicContact CD1-CB 4.31Å; I83-F112 HydrophobicContact CG1-CB 3.8Å; I83-F112 HydrophobicContact CG1-CD2 4.48Å; I83-F112 PolarHBondContact N-O 3.06Å; I83-F112 PolarHBondContact O-N 3.42Å; Q110-F112 HydrophobicContact CG-CD2 4.33Å; Q110-F112 HydrophobicContact CG-CE2 3.86Å; F112-C134 HydrophobicContact CB-CB 4.16Å; F112-C134 HydrophobicContact CD1-CB 4.17Å; F112-C134 HydrophobicContact CG-CB 4.48Å; F112-R135 CarbonylContact C-O 3.52Å; F112-R135 VanDerWaalsContact CA-O 3.31Å; F112-R135 WeakPolarHBondContact CA-O 3.36Å; F112-S136 VanDerWaalsContact CE1-CB 3.5Å; F112-V142 HydrophobicContact CE1-CG2 4.26Å
113	R	96.8	Very high	93.7	Very high	163 Å²	163	67.6 Å²	67.6	62%	0.615	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.5	162.1	-78.3	-174.8	160.8	91.3	-1.1	108.2	Q82 C134 R135	Q82-R113 HydrophobicContact CG-CG 4.1Å; R113-C134 CarbonylContact O-C 3.59Å; R113-C134 WeakPolarHBondContact O-CA 3.39Å; R113-R135 PolarHBondContact N-O 3.39Å; R113-R135 PolarHBondContact O-N 2.98Å
114	C	97.1	Very high	93.2	Very high	5 Å²	5	71.1 Å²	71.1	3%	0.034	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.7	-175.7	-61.3	0	0	0	0	110.9	D80 F81 L132 Q133 C134	D80-C114 WeakPolarHBondContact CA-O 3.15Å; F81-C114 HydrophobicContact CD1-CB 3.76Å; F81-C114 HydrophobicContact CD2-CB 4.47Å; F81-C114 HydrophobicContact CE1-CB 3.3Å; F81-C114 HydrophobicContact CE2-CB 4.12Å; F81-C114 HydrophobicContact CG-CB 4.31Å; F81-C114 HydrophobicContact CZ-CB 3.51Å; F81-C114 PolarHBondContact N-O 3.17Å; F81-C114 PolarHBondContact O-N 3.14Å; C114-L132 HydrophobicContact CB-CD1 4.02Å; C114-Q133 CarbonylContact C-O 3.57Å; C114-Q133 WeakPolarHBondContact CA-O 3.27Å; C114-C134 HydrophobicContact CB-CB 4.19Å; C114-C134 WeakPolarHBondContact CB-SG 3.13Å; C114-C134 WeakPolarHBondContact SG-CB 3.16Å; C114-C134 CovalentContact SG-SG 2.05Å; C114-C134 PolarHBondContact SG-SG 3.2Å
115	H	97.1	Very high	92.4	Very high	55 Å²	55	73.3 Å²	73.3	26%	0.255	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.6	168.5	-176.9	74.2	0	0	0	107.9	D80 E117 L132 Q133	D80-H115 IonicContact OD1-CE1 3.75Å; D80-H115 IonicContact OD1-CG 3.67Å; D80-H115 IonicContact OD1-ND1 2.75Å; D80-H115 PolarHBondContact OD1-ND1 2.86Å; H115-E117 WeakPolarHBondContact NE2-CG 3.37Å; H115-E117 IonicContact NE2-OE1 3.47Å; H115-E117 PolarHBondContact NE2-OE1 3.26Å; H115-L132 WeakPolarHBondContact O-CA 3.43Å; H115-Q133 PolarHBondContact N-O 3.2Å; H115-Q133 PolarHBondContact O-N 2.82Å
116	L	96.4	Very high	91.5	Very high	1 Å²	1	70 Å²	70	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.6	178.6	169.3	68.8	0	0	0	109.6	A41 A45 I78 V79 F81 L118 L130 E131 L132	A41-L116 HydrophobicContact CB-CD2 3.89Å; A45-L116 HydrophobicContact CB-CD1 4.27Å; A45-L116 HydrophobicContact CB-CD2 4.06Å; I78-L116 CarbonylContact C-O 3.59Å; I78-L116 WeakPolarHBondContact CA-O 3.48Å; V79-L116 HydrophobicContact CB-CB 4.35Å; V79-L116 PolarHBondContact N-O 3.39Å; V79-L116 PolarHBondContact O-N 3.24Å; F81-L116 HydrophobicContact CD1-CB 4.37Å; F81-L116 HydrophobicContact CE1-CB 3.73Å; L116-L118 HydrophobicContact CD1-CB 4.34Å; L116-L118 HydrophobicContact CG-CB 4.36Å; L116-L130 HydrophobicContact CD1-CD1 4.05Å; L116-L130 HydrophobicContact CD1-CD2 4.4Å; L116-L130 HydrophobicContact CD1-CG 3.77Å; L116-E131 CarbonylContact C-O 3.56Å; L116-E131 WeakPolarHBondContact CA-O 3.46Å; L116-L132 HydrophobicContact CB-CD1 4.27Å
117	E	95.6	Very high	90.6	Very high	37 Å²	37	74.5 Å²	74.5	17%	0.173	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.8	162.5	-56.3	-169.6	148.6	0	0	109.2	R76 Y77 I78 H115 E131	R76-E117 IonicContact CZ-OE1 3.36Å; R76-E117 IonicContact CZ-OE2 3.36Å; R76-E117 IonicContact NE-OE2 3.66Å; R76-E117 IonicContact NH1-OE1 3.75Å; R76-E117 IonicContact NH2-OE1 2.67Å; R76-E117 PolarHBondContact NH2-OE1 2.8Å; R76-E117 IonicContact NH2-OE2 2.55Å; R76-E117 PolarHBondContact NH2-OE2 2.91Å; Y77-E117 CarbonylContact O-C 3.52Å; Y77-E117 VanDerWaalsContact O-CA 3.3Å; Y77-E117 WeakPolarHBondContact O-CA 3.35Å; I78-E117 HydrophobicContact CG2-CG 4.49Å; H115-E117 WeakPolarHBondContact NE2-CG 3.37Å; H115-E117 IonicContact NE2-OE1 3.47Å; H115-E117 PolarHBondContact NE2-OE1 3.26Å; E117-E131 HydrophobicContact CB-CB 4.37Å; E117-E131 PolarHBondContact N-O 2.85Å; E117-E131 PolarHBondContact O-N 2.87Å
118	L	94.1	Very high	90.1	Very high	18 Å²	18	67 Å²	67	9%	0.094	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112	179	177.1	64.7	0	0	0	109.1	A41 R76 Y77 L116 L120 T129 L130	A41-L118 HydrophobicContact CB-CD2 3.79Å; R76-L118 CarbonylContact C-O 3.54Å; R76-L118 WeakPolarHBondContact CA-O 3.09Å; Y77-L118 PolarHBondContact N-O 3.36Å; Y77-L118 PolarHBondContact O-N 3.49Å; L116-L118 HydrophobicContact CD1-CB 4.34Å; L116-L118 HydrophobicContact CG-CB 4.36Å; L118-L120 HydrophobicContact CD1-CD2 3.88Å; L118-L120 HydrophobicContact CD2-CD2 4.11Å; L118-L120 HydrophobicContact CD2-CG 4.41Å; L118-L120 HydrophobicContact CG-CD2 3.85Å; L118-L120 HydrophobicContact CG-CG 4.18Å; L118-T129 WeakPolarHBondContact CA-O 3.26Å; L118-L130 HydrophobicContact CD1-CB 4.31Å
119	W	93.6	Very high	89.5	Confident	87 Å²	87	65 Å²	65	33%	0.33	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.6	177.1	-172	45.1	0	0	0	110.6	V72 R73 I121 E128 T129	V72-W119 PolarHBondContact O-NE1 2.83Å; R73-W119 HydrophobicContact CB-CZ2 4.43Å; W119-I121 HydrophobicContact CH2-CD1 3.96Å; W119-I121 HydrophobicContact CZ2-CD1 4.22Å; W119-I121 HydrophobicContact CZ2-CG1 4.36Å; W119-I121 HydrophobicContact CZ3-CD1 4.17Å; W119-E128 CarbonylContact O-C 3.46Å; W119-E128 WeakPolarHBondContact O-CA 3.31Å; W119-E128 WeakPolarHBondContact O-CB 3.49Å; W119-T129 PolarHBondContact N-O 3.49Å; W119-T129 PolarHBondContact O-N 2.98Å
120	L	91.5	Very high	89.2	Confident	48 Å²	48	63.7 Å²	63.7	25%	0.251	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.6	177.8	-55.6	-177.6	0	0	0	110.2	G74 I75 Y77 L118 P122 E128	G74-L120 CarbonylContact C-O 3.49Å; G74-L120 WeakPolarHBondContact CA-O 3.4Å; I75-L120 PolarHBondContact N-O 2.89Å; I75-L120 PolarHBondContact O-N 2.9Å; Y77-L120 HydrophobicContact CD2-CD1 4.4Å; Y77-L120 HydrophobicContact CE2-CD1 3.84Å; Y77-L120 HydrophobicContact CE2-CG 4.42Å; L118-L120 HydrophobicContact CD1-CD2 3.88Å; L118-L120 HydrophobicContact CD2-CD2 4.11Å; L118-L120 HydrophobicContact CD2-CG 4.41Å; L118-L120 HydrophobicContact CG-CD2 3.85Å; L118-L120 HydrophobicContact CG-CG 4.18Å; L120-P122 WeakPolarHBondContact O-CD 3.42Å; L120-E128 HydrophobicContact CD2-CB 3.77Å; L120-E128 WeakPolarHBondContact CD2-OE2 3.5Å
121	I	90.3	Very high	89	Confident	17 Å²	17	65.7 Å²	65.7	9%	0.087	33%	0.326	C	S	.	.			trans	-113.1	89.5	170.5	-53.4	-177.7	0	0	0	108.7	W119 W123 K124 R127	W119-I121 HydrophobicContact CH2-CD1 3.96Å; W119-I121 HydrophobicContact CZ2-CD1 4.22Å; W119-I121 HydrophobicContact CZ2-CG1 4.36Å; W119-I121 HydrophobicContact CZ3-CD1 4.17Å; I121-W123 HydrophobicContact CG2-CD2 3.88Å; I121-W123 VanDerWaalsContact CG2-CE2 3.48Å; I121-W123 HydrophobicContact CG2-CG 4.16Å; I121-W123 HydrophobicContact CG2-CZ2 3.92Å; I121-W123 PolarHBondContact O-N 3.17Å; I121-K124 HydrophobicContact CB-CB 4.36Å; I121-K124 HydrophobicContact CG2-CB 3.88Å; I121-K124 HydrophobicContact CG2-CD 4.47Å; I121-K124 HydrophobicContact CG2-CG 4.19Å; I121-K124 CarbonylContact O-C 3.41Å; I121-K124 PolarHBondContact O-N 3.03Å; I121-K124 VanDerWaalsContact O-O 3.12Å; I121-R127 HydrophobicContact CB-CB 4.28Å; I121-R127 HydrophobicContact CD1-CB 4.06Å; I121-R127 HydrophobicContact CG1-CB 4.38Å; I121-R127 PolarHBondContact N-O 2.96Å
122	P	85.8	Confident	89	Confident	80 Å²	80	62.8 Å²	62.8	52%	0.519	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.3	-170.6	-27.6	34.6	0	0	0	114.9	I75 L120 K124	I75-P122 HydrophobicContact CD1-CG 3.89Å; I75-P122 HydrophobicContact CG1-CG 4.14Å; L120-P122 WeakPolarHBondContact O-CD 3.42Å; P122-K124 VanDerWaalsContact C-N 3.35Å
123	W	85.3	Confident	88.9	Confident	160 Å²	160	65.6 Å²	65.6	61%	0.606	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	4.2	179.3	57.7	90.3	0	0	0	114.2	R73 I121	R73-W123 VanDerWaalsContact C-CZ2 3.43Å; R73-W123 VanDerWaalsContact O-CZ2 3.27Å; R73-W123 WeakPolarHBondContact O-CZ2 3.15Å; I121-W123 HydrophobicContact CG2-CD2 3.88Å; I121-W123 VanDerWaalsContact CG2-CE2 3.48Å; I121-W123 HydrophobicContact CG2-CG 4.16Å; I121-W123 HydrophobicContact CG2-CZ2 3.92Å; I121-W123 PolarHBondContact O-N 3.17Å
124	K	86.5	Confident	88.8	Confident	105 Å²	105	57.8 Å²	57.8	46%	0.457	29%	0.292	S	S	.	.	S	Bend	trans	-136.2	86.1	172.4	-69.5	-172.6	-179.7	-173.4	0	108.9	I121 P122 G126 R127	I121-K124 HydrophobicContact CB-CB 4.36Å; I121-K124 HydrophobicContact CG2-CB 3.88Å; I121-K124 HydrophobicContact CG2-CD 4.47Å; I121-K124 HydrophobicContact CG2-CG 4.19Å; I121-K124 CarbonylContact O-C 3.41Å; I121-K124 PolarHBondContact O-N 3.03Å; I121-K124 VanDerWaalsContact O-O 3.12Å; P122-K124 VanDerWaalsContact C-N 3.35Å; K124-G126 PolarHBondContact O-N 2.98Å; K124-R127 HydrophobicContact CB-CB 4.37Å; K124-R127 PolarHBondContact O-N 3.26Å
125	P	76.9	Confident	88.5	Confident	127 Å²	127	64.9 Å²	64.9	83%	0.825	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	139.8	179.5	-24.1	32.8	0	0	0	111.7	R127	P125-R127 VanDerWaalsContact C-N 3.28Å; P125-R127 PolarHBondContact O-N 3.18Å
126	G	75.4	Confident	88	Confident	61 Å²	61	63.1 Å²	63.1	63%	0.629	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-1.5	-179.8	0	0	0	0	0	115.5	K124	K124-G126 PolarHBondContact O-N 2.98Å
127	R	74.3	Confident	86.8	Confident	148 Å²	148	72.3 Å²	72.3	56%	0.558	35%	0.354	S	S	*	.			trans	-94.6	106.4	167	-85.1	-165.8	170.1	-166.4	-4.3	110.8	I121 K124 P125	I121-R127 HydrophobicContact CB-CB 4.28Å; I121-R127 HydrophobicContact CD1-CB 4.06Å; I121-R127 HydrophobicContact CG1-CB 4.38Å; I121-R127 PolarHBondContact N-O 2.96Å; K124-R127 HydrophobicContact CB-CB 4.37Å; K124-R127 PolarHBondContact O-N 3.26Å; P125-R127 VanDerWaalsContact C-N 3.28Å; P125-R127 PolarHBondContact O-N 3.18Å
128	E	82.1	Confident	85.4	Confident	82 Å²	82	78.7 Å²	78.7	38%	0.383	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.9	169.2	61.6	-176.7	-147.7	0	0	111.5	W119 L120 V148	W119-E128 CarbonylContact O-C 3.46Å; W119-E128 WeakPolarHBondContact O-CA 3.31Å; W119-E128 WeakPolarHBondContact O-CB 3.49Å; L120-E128 HydrophobicContact CD2-CB 3.77Å; L120-E128 WeakPolarHBondContact CD2-OE2 3.5Å; E128-V148 HydrophobicContact CG-CB 4.49Å; E128-V148 VanDerWaalsContact O-O 3.12Å
129	T	80.8	Confident	83.9	Confident	35 Å²	35	82.6 Å²	82.6	22%	0.215	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130	170.6	-56	0	0	0	0	108.6	L118 W119	L118-T129 WeakPolarHBondContact CA-O 3.26Å; W119-T129 PolarHBondContact N-O 3.49Å; W119-T129 PolarHBondContact O-N 2.98Å
130	L	86.3	Confident	82.3	Confident	20 Å²	20	80.9 Å²	80.9	11%	0.105	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.7	178.8	-178.5	151.4	0	0	0	109	L116 L118 L132 I144 N146	L116-L130 HydrophobicContact CD1-CD1 4.05Å; L116-L130 HydrophobicContact CD1-CD2 4.4Å; L116-L130 HydrophobicContact CD1-CG 3.77Å; L118-L130 HydrophobicContact CD1-CB 4.31Å; L130-L132 HydrophobicContact CD2-CB 3.69Å; L130-I144 HydrophobicContact CD2-CG2 4.3Å; L130-N146 PolarHBondContact N-O 2.83Å; L130-N146 PolarHBondContact O-N 2.87Å
131	E	92.3	Very high	81.1	Confident	64 Å²	64	82.6 Å²	82.6	30%	0.299	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.1	167	-62.8	-172.5	-160.9	0	0	108.6	L116 E117	L116-E131 CarbonylContact C-O 3.56Å; L116-E131 WeakPolarHBondContact CA-O 3.46Å; E117-E131 HydrophobicContact CB-CB 4.37Å; E117-E131 PolarHBondContact N-O 2.85Å; E117-E131 PolarHBondContact O-N 2.87Å
132	L	93.9	Very high	80.3	Confident	1 Å²	1	84 Å²	84	1%	0.005	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.1	-178.2	174.8	65.8	0	0	0	109.9	A45 F49 F81 C114 H115 L116 L130 I144	A45-L132 HydrophobicContact CB-CD1 4.11Å; A45-L132 HydrophobicContact CB-CD2 3.98Å; A45-L132 WeakPolarHBondContact O-CD2 3.48Å; F49-L132 HydrophobicContact CB-CD2 4.43Å; F81-L132 HydrophobicContact CE1-CD1 3.86Å; F81-L132 HydrophobicContact CZ-CD1 3.79Å; C114-L132 HydrophobicContact CB-CD1 4.02Å; H115-L132 WeakPolarHBondContact O-CA 3.43Å; L116-L132 HydrophobicContact CB-CD1 4.27Å; L130-L132 HydrophobicContact CD2-CB 3.69Å; L132-I144 HydrophobicContact CB-CB 4.04Å; L132-I144 HydrophobicContact CB-CG2 4.22Å; L132-I144 HydrophobicContact CD2-CB 4.35Å; L132-I144 HydrophobicContact CD2-CD1 3.97Å; L132-I144 HydrophobicContact CD2-CG2 4.41Å; L132-I144 HydrophobicContact CG-CB 4.4Å; L132-I144 PolarHBondContact N-O 3.17Å; L132-I144 PolarHBondContact O-N 3.12Å
133	Q	94.6	Very high	79.7	Confident	63 Å²	63	85.3 Å²	85.3	29%	0.294	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.3	177.6	-51.4	-173.4	16.1	0	0	109.2	C114 H115 L143	C114-Q133 CarbonylContact C-O 3.57Å; C114-Q133 WeakPolarHBondContact CA-O 3.27Å; H115-Q133 PolarHBondContact N-O 3.2Å; H115-Q133 PolarHBondContact O-N 2.82Å; Q133-L143 HydrophobicContact CB-CD2 3.77Å; Q133-L143 HydrophobicContact CG-CD2 3.53Å
134	C	94.8	Very high	79.1	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132	179.5	-69	0	0	0	0	110.6	F49 F112 R113 C114 V142	F49-C134 HydrophobicContact CD2-CB 4.03Å; F49-C134 HydrophobicContact CE2-CB 3.86Å; F112-C134 HydrophobicContact CB-CB 4.16Å; F112-C134 HydrophobicContact CD1-CB 4.17Å; F112-C134 HydrophobicContact CG-CB 4.48Å; R113-C134 CarbonylContact O-C 3.59Å; R113-C134 WeakPolarHBondContact O-CA 3.39Å; C114-C134 HydrophobicContact CB-CB 4.19Å; C114-C134 WeakPolarHBondContact CB-SG 3.13Å; C114-C134 WeakPolarHBondContact SG-CB 3.16Å; C114-C134 CovalentContact SG-SG 2.05Å; C114-C134 PolarHBondContact SG-SG 3.2Å; C134-V142 PolarHBondContact N-O 3.48Å; C134-V142 PolarHBondContact O-N 2.9Å
135	R	92.1	Very high	78.1	Confident	153 Å²	153	78.9 Å²	78.9	58%	0.577	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	134.6	178.7	-55.2	-175.1	-172	-154.1	1.4	109.2	F112 R113 P141	F112-R135 CarbonylContact C-O 3.52Å; F112-R135 VanDerWaalsContact CA-O 3.31Å; F112-R135 WeakPolarHBondContact CA-O 3.36Å; R113-R135 PolarHBondContact N-O 3.39Å; R113-R135 PolarHBondContact O-N 2.98Å; R135-P141 HydrophobicContact CG-CB 4.22Å
136	S	86.5	Confident	77.1	Confident	19 Å²	19	75.5 Å²	75.5	13%	0.133	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	165.3	167.3	71.9	0	0	0	0	109.9	F112 Q138 Q139	F112-S136 VanDerWaalsContact CE1-CB 3.5Å; S136-Q138 PolarHBondContact O-N 3.3Å; S136-Q138 PolarHBondContact OG-N 3.4Å; S136-Q139 WeakPolarHBondContact OG-CA 3.49Å; S136-Q139 WeakPolarHBondContact OG-CB 3.27Å; S136-Q139 PolarHBondContact OG-N 3.3Å; S136-Q139 PolarHBondContact OG-O 2.81Å
137	H	71.4	Confident	75.9	Confident	193 Å²	193	79.3 Å²	79.3	89%	0.894	39%	0.391	S	S	*	.	S	Bend	trans	-73.3	-12.2	174.6	-163.3	-82.7	0	0	0	112.7
138	Q	65.4	Low	74.4	Confident	172 Å²	172	78.9 Å²	78.9	80%	0.804	40%	0.404	S	S	*	.	S	Bend	trans	-121.1	-12	-173.2	-64.6	-161.6	-21.3	0	0	114.6	S136	S136-Q138 PolarHBondContact O-N 3.3Å; S136-Q138 PolarHBondContact OG-N 3.4Å
139	Q	61.4	Low	74.1	Confident	99 Å²	99	78.7 Å²	78.7	46%	0.463	41%	0.405	S	S	.	.	S	Bend	trans	-132.4	151.9	179.4	-69.2	142.5	16.1	0	0	110.3	Q110 S136	Q110-Q139 VanDerWaalsContact NE2-CD 3.25Å; S136-Q139 WeakPolarHBondContact OG-CA 3.49Å; S136-Q139 WeakPolarHBondContact OG-CB 3.27Å; S136-Q139 PolarHBondContact OG-N 3.3Å; S136-Q139 PolarHBondContact OG-O 2.81Å
140	G	60.2	Low	73.7	Confident	52 Å²	52	81 Å²	81	54%	0.536	42%	0.415	S	S	.	.			trans	-58.1	170.5	176.6	0	0	0	0	0	113.7	V142	G140-V142 PolarHBondContact O-N 3.04Å
141	P	66.5	Low	73	Confident	83 Å²	83	84.4 Å²	84.4	54%	0.539	43%	0.433	S	S	.	.			trans	-63.5	130.1	-178.5	26.6	-33.1	0	0	0	111.1	R135	R135-P141 HydrophobicContact CG-CB 4.22Å
142	V	73.7	Confident	71.9	Confident	46 Å²	46	85.6 Å²	85.6	28%	0.279	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	107.8	166.2	-178.8	0	0	0	0	106.7	F49 F112 C134 G140 I144	F49-V142 HydrophobicContact CD2-CG1 4.35Å; F49-V142 HydrophobicContact CE2-CB 4.11Å; F49-V142 HydrophobicContact CE2-CG1 3.98Å; F49-V142 HydrophobicContact CE2-CG2 4.32Å; F112-V142 HydrophobicContact CE1-CG2 4.26Å; C134-V142 PolarHBondContact N-O 3.48Å; C134-V142 PolarHBondContact O-N 2.9Å; G140-V142 PolarHBondContact O-N 3.04Å; V142-I144 HydrophobicContact CG1-CD1 4.27Å; V142-I144 HydrophobicContact CG1-CG1 4.23Å
143	L	74.6	Confident	70.5	Confident	108 Å²	108	90.9 Å²	90.9	57%	0.565	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.4	177.3	-60.7	177.3	0	0	0	109.2	Q133	Q133-L143 HydrophobicContact CB-CD2 3.77Å; Q133-L143 HydrophobicContact CG-CD2 3.53Å
144	I	72.4	Confident	68.9	Low	2 Å²	2	92.7 Å²	92.7	1%	0.01	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.9	179.5	-67.1	174.8	0	0	0	106.5	S48 F49 Q52 L130 L132 V142	S48-I144 WeakPolarHBondContact OG-CG2 3.31Å; F49-I144 HydrophobicContact CB-CD1 4.18Å; F49-I144 HydrophobicContact CD2-CD1 4.08Å; Q52-I144 HydrophobicContact CB-CD1 4.19Å; Q52-I144 HydrophobicContact CB-CG1 4.46Å; L130-I144 HydrophobicContact CD2-CG2 4.3Å; L132-I144 HydrophobicContact CB-CB 4.04Å; L132-I144 HydrophobicContact CB-CG2 4.22Å; L132-I144 HydrophobicContact CD2-CB 4.35Å; L132-I144 HydrophobicContact CD2-CD1 3.97Å; L132-I144 HydrophobicContact CD2-CG2 4.41Å; L132-I144 HydrophobicContact CG-CB 4.4Å; L132-I144 PolarHBondContact N-O 3.17Å; L132-I144 PolarHBondContact O-N 3.12Å; V142-I144 HydrophobicContact CG1-CD1 4.27Å; V142-I144 HydrophobicContact CG1-CG1 4.23Å
145	Q	65.2	Low	67.1	Low	129 Å²	129	99.4 Å²	99.4	60%	0.603	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.3	173	-74.3	-179.4	-34.4	0	0	107.9
146	N	56.3	Low	65.1	Low	55 Å²	55	95.2 Å²	95.2	29%	0.294	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.9	172.7	-65.7	-17.1	0	0	0	108.2	S48 L130	S48-N146 PolarHBondContact OG-ND2 2.05Å; S48-N146 VanDerWaalsContact OG-ND2 3.1Å; L130-N146 PolarHBondContact N-O 2.83Å; L130-N146 PolarHBondContact O-N 2.87Å
147	H	50.1	Low	63.4	Low	142 Å²	142	101.6 Å²	101.6	66%	0.657	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.3	163	-63.1	-68.8	0	0	0	107.1
148	V	43.1	Very low	62.6	Low	138 Å²	138	93.3 Å²	93.3	84%	0.836	51%	0.508	S	S	*	.			trans	-114.5	0	174	-173.8	0	0	0	0	109.2	E128	E128-V148 HydrophobicContact CG-CB 4.49Å; E128-V148 VanDerWaalsContact O-O 3.12Å

Retrieved 148 of 148 residues in 290.6 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).