A0A5K4F7T1_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F7T1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 117 aa.

						>A0A5K4F7T1_SCHMA|A0A5K4F7T1
MSPSENASYYQLSRPVDMHQNLSWPDLQKPLSDHFGGFQFNNFMLKNLSYDFIPQEIILTFLPETHASKYLDSHGCRNKNWEKSKRTKTYVVLLTEIPLVHHHVLPDFGSYQKLLTV
					

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	30.3	Very low	27.6	Very low	242 Å²	242	133.3 Å²	133.3	100%	1.192	72%	0.721	S	S	*	*				0	104.2	0	-68.8	171.2	93.7	0	0	106.8
2	S	27.7	Very low	27.7	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	71%	0.708	S	S	*	*			trans	-81.5	130.1	-175.1	-52.4	0	0	0	0	109.7	S4	S2-S4 VanDerWaalsContact C-N 3.29Å; S2-S4 PolarHBondContact O-N 3.39Å
3	P	27.2	Very low	27.8	Very low	132 Å²	132	129.4 Å²	129.4	86%	0.857	71%	0.712	S	S	*	*			trans	-76.9	81.6	177.5	30.1	-30.8	0	0	0	109.7	E5	P3-E5 VanDerWaalsContact C-N 3.34Å; P3-E5 PolarHBondContact O-N 2.81Å
4	S	30.7	Very low	27.7	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	71%	0.714	S	S	*	*			trans	-88.2	67.1	170	63.4	0	0	0	0	109.9	S2	S2-S4 VanDerWaalsContact C-N 3.29Å; S2-S4 PolarHBondContact O-N 3.39Å
5	E	27.4	Very low	27.7	Very low	168 Å²	168	134.3 Å²	134.3	79%	0.785	73%	0.725	S	S	*	*			trans	-143.2	116.4	-179.2	-95.3	178.7	178.1	0	0	112.6	P3	P3-E5 VanDerWaalsContact C-N 3.34Å; P3-E5 PolarHBondContact O-N 2.81Å
6	N	27.1	Very low	28.1	Very low	123 Å²	123	129.9 Å²	129.9	66%	0.658	70%	0.704	S	S	*	*			trans	93.1	53	158.6	-51.9	-46.2	0	0	0	118.2	S8	N6-S8 PolarHBondContact O-N 2.93Å; N6-S8 VanDerWaalsContact O-N 3.1Å
7	A	25.1	Very low	28.2	Very low	83 Å²	83	130.1 Å²	130.1	69%	0.686	70%	0.704	S	S	*	*			trans	-70.1	87.4	136.9	0	0	0	0	0	107.1	Y9	A7-Y9 VanDerWaalsContact O-CD2 3.3Å; A7-Y9 WeakPolarHBondContact O-CD2 3.48Å; A7-Y9 PolarHBondContact O-N 3.29Å; A7-Y9 VanDerWaalsContact O-N 3.11Å
8	S	26.3	Very low	28.3	Very low	43 Å²	43	128.9 Å²	128.9	30%	0.301	70%	0.695	S	S	.	*			trans	-68.3	106.4	172.8	-55.7	0	0	0	0	107.9	N6 Y10	N6-S8 PolarHBondContact O-N 2.93Å; N6-S8 VanDerWaalsContact O-N 3.1Å; S8-Y10 VanDerWaalsContact CB-CE2 3.43Å; S8-Y10 VanDerWaalsContact O-CD2 3.23Å; S8-Y10 WeakPolarHBondContact O-CD2 2.9Å; S8-Y10 PolarHBondContact O-N 2.66Å
9	Y	25.3	Very low	28.2	Very low	177 Å²	177	130.5 Å²	130.5	69%	0.694	70%	0.697	S	S	*	*			trans	-64.6	110.6	171.6	-64.9	-93.6	0	0	0	108.6	A7 L114	A7-Y9 VanDerWaalsContact O-CD2 3.3Å; A7-Y9 WeakPolarHBondContact O-CD2 3.48Å; A7-Y9 PolarHBondContact O-N 3.29Å; A7-Y9 VanDerWaalsContact O-N 3.11Å; Y9-L114 HydrophobicContact CE1-CD1 3.75Å; Y9-L114 HydrophobicContact CE1-CD2 3.62Å; Y9-L114 HydrophobicContact CE1-CG 4.34Å; Y9-L114 WeakPolarHBondContact OH-CD2 3.47Å
10	Y	27.8	Very low	28.4	Very low	104 Å²	104	131.9 Å²	131.9	41%	0.408	70%	0.699	S	S	.	*			trans	-102.8	106.2	172.9	-65.8	-67.5	0	0	0	108.7	S8 N41	S8-Y10 VanDerWaalsContact CB-CE2 3.43Å; S8-Y10 VanDerWaalsContact O-CD2 3.23Å; S8-Y10 WeakPolarHBondContact O-CD2 2.9Å; S8-Y10 PolarHBondContact O-N 2.66Å; Y10-N41 HydrophobicContact CD1-CB 4.11Å; Y10-N41 WeakPolarHBondContact CD1-ND2 3.42Å; Y10-N41 HydrophobicContact CE1-CB 4.13Å
11	Q	28.1	Very low	28.6	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.813	71%	0.705	S	S	*	*			trans	-71	127.2	174.8	-152.1	170.8	-3.5	0	0	108.3	S13	Q11-S13 PolarHBondContact O-N 2.99Å; Q11-S13 PolarHBondContact O-OG 3.26Å
12	L	29.4	Very low	28.7	Very low	108 Å²	108	124.8 Å²	124.8	57%	0.565	67%	0.666	S	S	*	*			trans	-64.2	105.1	174	-71.3	166	0	0	0	108.1	R14 F40	L12-R14 PolarHBondContact O-N 3.29Å; L12-F40 HydrophobicContact CD2-CE1 3.76Å; L12-F40 HydrophobicContact CD2-CZ 3.63Å
13	S	28.5	Very low	28.9	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	65%	0.648	S	S	*	*	S	Bend	trans	-70.8	6.9	-171.4	-31.8	0	0	0	0	114.9	Q11	Q11-S13 PolarHBondContact O-N 2.99Å; Q11-S13 PolarHBondContact O-OG 3.26Å
14	R	26.5	Very low	29.1	Very low	198 Å²	198	123.1 Å²	123.1	75%	0.747	63%	0.634	S	S	*	*	S	Bend	trans	-142.6	124	171.3	-65	-172.2	-179.3	179.8	0.3	108.9	L12 V16	L12-R14 PolarHBondContact O-N 3.29Å; R14-V16 PolarHBondContact O-N 2.84Å
15	P	28.6	Very low	29.1	Very low	134 Å²	134	121.7 Å²	121.7	87%	0.87	62%	0.622	S	S	*	*			trans	-59.9	111.5	163.8	24.9	-28.8	0	0	0	106.3	D17	P15-D17 PolarHBondContact O-N 3.34Å
16	V	33.1	Very low	29.5	Very low	64 Å²	64	116 Å²	116	39%	0.388	60%	0.598	S	S	.	*			trans	-67.9	122.3	168.6	-176.4	0	0	0	0	104.8	R14 M18 F38	R14-V16 PolarHBondContact O-N 2.84Å; V16-M18 HydrophobicContact CB-CG 4.04Å; V16-M18 HydrophobicContact CG1-CG 4.04Å; V16-M18 PolarHBondContact O-N 3.01Å; V16-F38 HydrophobicContact CG2-CE1 3.73Å; V16-F38 HydrophobicContact CG2-CZ 3.52Å
17	D	29.9	Very low	30	Very low	134 Å²	134	111.6 Å²	111.6	72%	0.717	57%	0.574	S	S	*	*			trans	-58.5	84.8	157.5	-92.4	-28.9	0	0	0	106.3	P15 H19	P15-D17 PolarHBondContact O-N 3.34Å; D17-H19 PolarHBondContact O-N 3.48Å; D17-H19 IonicContact OD1-CD2 3.94Å; D17-H19 PolarHBondContact OD1-CD2 2.96Å; D17-H19 VanDerWaalsContact OD1-CD2 3.29Å; D17-H19 IonicContact OD1-NE2 2.78Å
18	M	29.4	Very low	30.5	Very low	109 Å²	109	114.4 Å²	114.4	54%	0.537	57%	0.573	S	S	.	*			trans	-71.1	31.7	171	-64.1	-158.4	-155.9	0	0	110.4	V16 Q20 I97	V16-M18 HydrophobicContact CB-CG 4.04Å; V16-M18 HydrophobicContact CG1-CG 4.04Å; V16-M18 PolarHBondContact O-N 3.01Å; M18-Q20 PolarHBondContact O-N 2.71Å; M18-I97 HydrophobicContact SD-CD1 3.84Å; M18-I97 HydrophobicContact SD-CG1 4.34Å
19	H	27.6	Very low	31.1	Very low	159 Å²	159	117.3 Å²	117.3	74%	0.736	58%	0.58	S	S	*	*			trans	-74.3	-1	178.8	-86.9	-74.6	0	0	0	113.3	D17 N21	D17-H19 PolarHBondContact O-N 3.48Å; D17-H19 IonicContact OD1-CD2 3.94Å; D17-H19 PolarHBondContact OD1-CD2 2.96Å; D17-H19 VanDerWaalsContact OD1-CD2 3.29Å; D17-H19 IonicContact OD1-NE2 2.78Å; H19-N21 PolarHBondContact O-N 3Å
20	Q	32.7	Very low	31.8	Very low	158 Å²	158	111.9 Å²	111.9	74%	0.738	57%	0.566	S	S	*	*	S	Bend	trans	-91.5	105.5	165.3	-63.8	-169.6	18	0	0	106.6	M18 L22	M18-Q20 PolarHBondContact O-N 2.71Å; Q20-L22 PolarHBondContact O-N 3.26Å
21	N	32.4	Very low	32.5	Very low	153 Å²	153	107.7 Å²	107.7	82%	0.818	55%	0.551	S	S	*	*			trans	-47.7	91.4	163.3	-76.5	-47.8	0	0	0	107.9	H19 S23	H19-N21 PolarHBondContact O-N 3Å; N21-S23 VanDerWaalsContact C-N 3.34Å; N21-S23 PolarHBondContact O-N 3.05Å
22	L	30.9	Very low	33	Very low	72 Å²	72	102.5 Å²	102.5	38%	0.377	53%	0.534	S	S	.	.			trans	-67.9	99.9	177.8	-76.2	161.3	0	0	0	105.7	Q20 D26 L27 H34	Q20-L22 PolarHBondContact O-N 3.26Å; L22-D26 HydrophobicContact CD2-CB 4.21Å; L22-L27 HydrophobicContact CB-CD2 4.11Å; L22-L27 HydrophobicContact CB-CG 4.36Å; L22-L27 HydrophobicContact CD1-CD2 4.09Å; L22-L27 HydrophobicContact CD2-CD2 4.5Å; L22-L27 HydrophobicContact CG-CD2 4.46Å; L22-H34 WeakPolarHBondContact CD2-CD2 3.32Å; L22-H34 WeakPolarHBondContact CD2-NE2 3.3Å
23	S	33.6	Very low	33.4	Very low	55 Å²	55	102.7 Å²	102.7	39%	0.385	54%	0.535	S	S	.	.			trans	-66.1	145.8	172.8	76.5	0	0	0	0	107.5	N21 P25 D26 L27	N21-S23 VanDerWaalsContact C-N 3.34Å; N21-S23 PolarHBondContact O-N 3.05Å; S23-P25 VanDerWaalsContact O-N 3.07Å; S23-P25 WeakPolarHBondContact OG-CD 3.1Å; S23-P25 WeakPolarHBondContact OG-CG 3.31Å; S23-D26 WeakPolarHBondContact CB-OD2 3.33Å; S23-D26 PolarHBondContact N-OD2 3.2Å; S23-D26 WeakPolarHBondContact O-CA 3.25Å; S23-D26 WeakPolarHBondContact O-CB 3.05Å; S23-D26 PolarHBondContact O-N 3.27Å; S23-D26 PolarHBondContact OG-OD2 3.11Å; S23-L27 PolarHBondContact O-N 3.1Å
24	W	31.5	Very low	34	Very low	152 Å²	152	100.5 Å²	100.5	58%	0.576	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-38.3	179.3	-168.6	-111.4	0	0	0	115	D26 L27 F52	W24-D26 VanDerWaalsContact C-N 3.33Å; W24-D26 PolarHBondContact O-N 3.48Å; W24-L27 HydrophobicContact CE3-CD1 3.88Å; W24-L27 HydrophobicContact CZ3-CD1 4.1Å; W24-L27 PolarHBondContact O-N 2.8Å; W24-F52 HydrophobicContact CH2-CB 4.16Å
25	P	30.3	Very low	34.5	Very low	79 Å²	79	94 Å²	94	51%	0.513	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24	173.7	24.5	-32.4	0	0	0	114.4	S23 Q28	S23-P25 VanDerWaalsContact O-N 3.07Å; S23-P25 WeakPolarHBondContact OG-CD 3.1Å; S23-P25 WeakPolarHBondContact OG-CG 3.31Å; P25-Q28 WeakPolarHBondContact O-CB 3.46Å; P25-Q28 PolarHBondContact O-N 3.44Å
26	D	36.1	Very low	34.7	Very low	50 Å²	50	91 Å²	91	27%	0.267	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-71	-33.9	175.9	-63.7	-48.1	0	0	0	111.7	L22 S23 W24 Q28 K29 H34	L22-D26 HydrophobicContact CD2-CB 4.21Å; S23-D26 WeakPolarHBondContact CB-OD2 3.33Å; S23-D26 PolarHBondContact N-OD2 3.2Å; S23-D26 WeakPolarHBondContact O-CA 3.25Å; S23-D26 WeakPolarHBondContact O-CB 3.05Å; S23-D26 PolarHBondContact O-N 3.27Å; S23-D26 PolarHBondContact OG-OD2 3.11Å; W24-D26 VanDerWaalsContact C-N 3.33Å; W24-D26 PolarHBondContact O-N 3.48Å; D26-Q28 PolarHBondContact O-N 2.7Å; D26-Q28 VanDerWaalsContact O-N 3.12Å; D26-K29 WeakPolarHBondContact O-CB 3.23Å; D26-K29 WeakPolarHBondContact O-CG 3.33Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 WeakPolarHBondContact OD1-CE 3.48Å; D26-H34 PolarHBondContact O-CE1 2.91Å
27	L	35.8	Very low	34.6	Very low	30 Å²	30	91.4 Å²	91.4	16%	0.157	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-63.4	-16.8	173.8	-65.9	174.7	0	0	0	113.5	L22 S23 W24 K29 F52	L22-L27 HydrophobicContact CB-CD2 4.11Å; L22-L27 HydrophobicContact CB-CG 4.36Å; L22-L27 HydrophobicContact CD1-CD2 4.09Å; L22-L27 HydrophobicContact CD2-CD2 4.5Å; L22-L27 HydrophobicContact CG-CD2 4.46Å; S23-L27 PolarHBondContact O-N 3.1Å; W24-L27 HydrophobicContact CE3-CD1 3.88Å; W24-L27 HydrophobicContact CZ3-CD1 4.1Å; W24-L27 PolarHBondContact O-N 2.8Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-F52 HydrophobicContact CB-CE1 4.1Å; L27-F52 HydrophobicContact CB-CE2 4.12Å; L27-F52 HydrophobicContact CB-CZ 3.8Å; L27-F52 HydrophobicContact CD1-CD1 4.29Å; L27-F52 HydrophobicContact CD1-CE1 3.96Å; L27-F52 HydrophobicContact CD1-CZ 4.49Å; L27-F52 HydrophobicContact CD2-CE1 3.86Å; L27-F52 HydrophobicContact CD2-CZ 3.9Å; L27-F52 HydrophobicContact CG-CE1 4.19Å; L27-F52 HydrophobicContact CG-CZ 4.27Å; L27-F52 VanDerWaalsContact O-CE2 3.31Å; L27-F52 WeakPolarHBondContact O-CE2 3.39Å
28	Q	35.7	Very low	34.7	Very low	142 Å²	142	88.1 Å²	88.1	66%	0.664	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-78.4	-15.6	173.3	-59.4	-177.4	8.8	0	0	112.8	P25 D26	P25-Q28 WeakPolarHBondContact O-CB 3.46Å; P25-Q28 PolarHBondContact O-N 3.44Å; D26-Q28 PolarHBondContact O-N 2.7Å; D26-Q28 VanDerWaalsContact O-N 3.12Å
29	K	40	Very low	34.8	Very low	103 Å²	103	90.1 Å²	90.1	45%	0.448	49%	0.488	S	S	.	.	S	Bend	trans	-66.1	142.6	169.4	-58.4	-179	-165.9	-76.2	0	107.6	D26 L27 L31	D26-K29 WeakPolarHBondContact O-CB 3.23Å; D26-K29 WeakPolarHBondContact O-CG 3.33Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 WeakPolarHBondContact OD1-CE 3.48Å; L27-K29 VanDerWaalsContact C-N 3.31Å; K29-L31 PolarHBondContact O-N 2.75Å
30	P	39.4	Very low	35	Very low	63 Å²	63	85.2 Å²	85.2	41%	0.409	47%	0.465	S	S	.	.			trans	-46.4	132.9	176.5	-26.3	33.6	0	0	0	109.9	S32 D33	P30-S32 VanDerWaalsContact CB-OG 3.25Å; P30-S32 WeakPolarHBondContact CB-OG 3.15Å; P30-S32 PolarHBondContact O-N 2.81Å; P30-D33 WeakPolarHBondContact O-CB 3.3Å; P30-D33 PolarHBondContact O-N 2.88Å
31	L	42.9	Very low	35.1	Very low	17 Å²	17	81.5 Å²	81.5	9%	0.089	45%	0.45	C	S	.	.	H	α-helix	trans	-53.6	-23.4	171.7	-97.2	99.9	0	0	0	110.9	K29 D33 H34 F35 Y50 F52 L59	K29-L31 PolarHBondContact O-N 2.75Å; L31-D33 PolarHBondContact O-N 2.99Å; L31-H34 PolarHBondContact O-N 3.19Å; L31-F35 HydrophobicContact CB-CD2 3.74Å; L31-F35 HydrophobicContact CB-CE2 4.25Å; L31-F35 HydrophobicContact CD2-CD2 3.33Å; L31-F35 HydrophobicContact CD2-CE2 3.13Å; L31-F35 HydrophobicContact CD2-CG 4.26Å; L31-F35 HydrophobicContact CD2-CZ 3.93Å; L31-F35 HydrophobicContact CG-CD2 3.52Å; L31-F35 HydrophobicContact CG-CE2 3.5Å; L31-F35 VanDerWaalsContact CG-CE2 3.5Å; L31-F35 VanDerWaalsContact O-CA 3.3Å; L31-F35 WeakPolarHBondContact O-CA 3.28Å; L31-F35 WeakPolarHBondContact O-CB 3.46Å; L31-F35 VanDerWaalsContact O-CD2 3.28Å; L31-F35 WeakPolarHBondContact O-CD2 3.33Å; L31-F35 PolarHBondContact O-N 2.69Å; L31-Y50 HydrophobicContact CB-CD1 4.49Å; L31-Y50 HydrophobicContact CB-CE1 4.26Å; L31-Y50 HydrophobicContact CD1-CD1 3.44Å; L31-Y50 VanDerWaalsContact CD1-CD1 3.44Å; L31-Y50 HydrophobicContact CD1-CD2 3.59Å; L31-Y50 HydrophobicContact CD1-CE1 3.48Å; L31-Y50 VanDerWaalsContact CD1-CE1 3.48Å; L31-Y50 HydrophobicContact CD1-CE2 3.68Å; L31-Y50 HydrophobicContact CD1-CG 3.46Å; L31-Y50 VanDerWaalsContact CD1-CG 3.46Å; L31-Y50 HydrophobicContact CG-CE1 4.49Å; L31-F52 HydrophobicContact CD1-CE2 4.23Å; L31-F52 HydrophobicContact CD1-CZ 4Å; L31-L59 HydrophobicContact CD2-CD2 4.22Å
32	S	39.1	Very low	35.2	Very low	64 Å²	64	80.1 Å²	80.1	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-58.7	-29.1	171.2	60.5	0	0	0	0	114.1	P30 G36	P30-S32 VanDerWaalsContact CB-OG 3.25Å; P30-S32 WeakPolarHBondContact CB-OG 3.15Å; P30-S32 PolarHBondContact O-N 2.81Å; S32-G36 WeakPolarHBondContact O-CA 3.48Å; S32-G36 PolarHBondContact O-N 2.94Å
33	D	38	Very low	35.4	Very low	113 Å²	113	79.3 Å²	79.3	60%	0.604	44%	0.436	S	S	*	.	H	α-helix	trans	-82.4	-36.8	179.1	-65.1	-5.4	0	0	0	110.6	P30 L31	P30-D33 WeakPolarHBondContact O-CB 3.3Å; P30-D33 PolarHBondContact O-N 2.88Å; L31-D33 PolarHBondContact O-N 2.99Å
34	H	39.6	Very low	35.6	Very low	61 Å²	61	80.6 Å²	80.6	28%	0.282	44%	0.437	S	S	.	.	H	α-helix	trans	-75.5	-34.4	175.7	-81.5	90.1	0	0	0	113.3	L22 D26 L31	L22-H34 WeakPolarHBondContact CD2-CD2 3.32Å; L22-H34 WeakPolarHBondContact CD2-NE2 3.3Å; D26-H34 PolarHBondContact O-CE1 2.91Å; L31-H34 PolarHBondContact O-N 3.19Å
35	F	38.2	Very low	36.2	Very low	62 Å²	62	75.2 Å²	75.2	27%	0.272	42%	0.419	S	S	.	.	S	Bend	trans	-117.7	28.9	-174.3	-59.2	-92.8	0	0	0	111	L31 G37 F38 L45	L31-F35 HydrophobicContact CB-CD2 3.74Å; L31-F35 HydrophobicContact CB-CE2 4.25Å; L31-F35 HydrophobicContact CD2-CD2 3.33Å; L31-F35 HydrophobicContact CD2-CE2 3.13Å; L31-F35 HydrophobicContact CD2-CG 4.26Å; L31-F35 HydrophobicContact CD2-CZ 3.93Å; L31-F35 HydrophobicContact CG-CD2 3.52Å; L31-F35 HydrophobicContact CG-CE2 3.5Å; L31-F35 VanDerWaalsContact CG-CE2 3.5Å; L31-F35 VanDerWaalsContact O-CA 3.3Å; L31-F35 WeakPolarHBondContact O-CA 3.28Å; L31-F35 WeakPolarHBondContact O-CB 3.46Å; L31-F35 VanDerWaalsContact O-CD2 3.28Å; L31-F35 WeakPolarHBondContact O-CD2 3.33Å; L31-F35 PolarHBondContact O-N 2.69Å; F35-G37 PolarHBondContact O-N 2.99Å; F35-F38 VanDerWaalsContact CA-CD2 3.43Å; F35-F38 HydrophobicContact CB-CB 4.24Å; F35-F38 HydrophobicContact CB-CD2 3.53Å; F35-F38 HydrophobicContact CB-CE2 4.21Å; F35-F38 HydrophobicContact CB-CG 4.2Å; F35-F38 AromaticContact CD1-CD2 3.67Å; F35-F38 HydrophobicContact CD1-CD2 3.67Å; F35-F38 AromaticContact CD1-CE2 3.78Å; F35-F38 HydrophobicContact CD1-CE2 3.78Å; F35-F38 HydrophobicContact CD1-CG 4.1Å; F35-F38 HydrophobicContact CD1-CZ 4.34Å; F35-F38 HydrophobicContact CG-CD2 4.08Å; F35-F38 HydrophobicContact CG-CE2 4.4Å; F35-F38 WeakPolarHBondContact O-CD2 3.33Å; F35-F38 PolarHBondContact O-N 3.35Å; F35-L45 HydrophobicContact CB-CD1 4.28Å
36	G	31.7	Very low	36.8	Very low	71 Å²	71	79.7 Å²	79.7	73%	0.732	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	21.9	-174.3	0	0	0	0	0	117.9	S32	S32-G36 WeakPolarHBondContact O-CA 3.48Å; S32-G36 PolarHBondContact O-N 2.94Å
37	G	31.4	Very low	37.4	Very low	72 Å²	72	79 Å²	79	74%	0.742	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.1	6.6	169.3	0	0	0	0	0	114	F35 Q39	F35-G37 PolarHBondContact O-N 2.99Å; G37-Q39 PolarHBondContact O-N 3.05Å
38	F	33.3	Very low	38.1	Very low	66 Å²	66	78.9 Å²	78.9	29%	0.289	43%	0.427	S	S	.	.			trans	-83.7	99.8	-178.3	-69.3	-96.7	0	0	0	110.3	V16 F35 F40 L45	V16-F38 HydrophobicContact CG2-CE1 3.73Å; V16-F38 HydrophobicContact CG2-CZ 3.52Å; F35-F38 VanDerWaalsContact CA-CD2 3.43Å; F35-F38 HydrophobicContact CB-CB 4.24Å; F35-F38 HydrophobicContact CB-CD2 3.53Å; F35-F38 HydrophobicContact CB-CE2 4.21Å; F35-F38 HydrophobicContact CB-CG 4.2Å; F35-F38 AromaticContact CD1-CD2 3.67Å; F35-F38 HydrophobicContact CD1-CD2 3.67Å; F35-F38 AromaticContact CD1-CE2 3.78Å; F35-F38 HydrophobicContact CD1-CE2 3.78Å; F35-F38 HydrophobicContact CD1-CG 4.1Å; F35-F38 HydrophobicContact CD1-CZ 4.34Å; F35-F38 HydrophobicContact CG-CD2 4.08Å; F35-F38 HydrophobicContact CG-CE2 4.4Å; F35-F38 WeakPolarHBondContact O-CD2 3.33Å; F35-F38 PolarHBondContact O-N 3.35Å; F38-F40 PolarHBondContact O-N 2.68Å; F38-L45 WeakPolarHBondContact O-CD1 3.45Å
39	Q	30.1	Very low	38.8	Very low	151 Å²	151	75.1 Å²	75.1	71%	0.706	42%	0.416	S	S	*	.			trans	-73.4	107.7	155.2	-87.4	-177.2	-22.5	0	0	108.4	G37 N41	G37-Q39 PolarHBondContact O-N 3.05Å; Q39-N41 PolarHBondContact O-N 2.93Å
40	F	32.6	Very low	39.4	Very low	55 Å²	55	73.9 Å²	73.9	24%	0.241	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-75.2	89.5	166.6	-97.5	-88.9	0	0	0	109.1	L12 F38 N42 F43 L45 F61	L12-F40 HydrophobicContact CD2-CE1 3.76Å; L12-F40 HydrophobicContact CD2-CZ 3.63Å; F38-F40 PolarHBondContact O-N 2.68Å; F40-N42 VanDerWaalsContact C-N 3.28Å; F40-N42 PolarHBondContact O-N 3.12Å; F40-F43 HydrophobicContact CB-CB 4.49Å; F40-F43 PolarHBondContact O-N 2.94Å; F40-L45 HydrophobicContact CD2-CD2 4.22Å; F40-F61 HydrophobicContact CB-CE1 4.3Å; F40-F61 HydrophobicContact CB-CZ 4.26Å; F40-F61 HydrophobicContact CD1-CZ 4.42Å; F40-F61 HydrophobicContact CD2-CZ 4.3Å; F40-F61 HydrophobicContact CG-CZ 4.08Å
41	N	34.6	Very low	39.6	Very low	81 Å²	81	75.8 Å²	75.8	43%	0.433	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	32	59	175.4	-82.6	-31.7	0	0	0	114	Y10 Q39	Y10-N41 HydrophobicContact CD1-CB 4.11Å; Y10-N41 WeakPolarHBondContact CD1-ND2 3.42Å; Y10-N41 HydrophobicContact CE1-CB 4.13Å; Q39-N41 PolarHBondContact O-N 2.93Å
42	N	35.4	Very low	39.8	Very low	123 Å²	123	76.9 Å²	76.9	66%	0.658	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	0.1	179.9	-48.6	-53.5	0	0	0	118.6	F40	F40-N42 VanDerWaalsContact C-N 3.28Å; F40-N42 PolarHBondContact O-N 3.12Å
43	F	34.2	Very low	40.3	Very low	55 Å²	55	77 Å²	77	24%	0.241	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-85.6	117.9	170.8	-76.7	-85.2	0	0	0	110.3	F40 L45 F61 E64	F40-F43 HydrophobicContact CB-CB 4.49Å; F40-F43 PolarHBondContact O-N 2.94Å; F43-L45 PolarHBondContact O-N 3.37Å; F43-F61 HydrophobicContact CB-CD1 3.95Å; F43-F61 HydrophobicContact CB-CE1 4.08Å; F43-F61 HydrophobicContact CD1-CD1 4.4Å; F43-F61 HydrophobicContact CG-CD1 4.25Å; F43-E64 HydrophobicContact CD1-CG 4.23Å; F43-E64 HydrophobicContact CE1-CG 4.42Å
44	M	38.5	Very low	40.6	Very low	82 Å²	82	76.5 Å²	76.5	40%	0.404	42%	0.417	S	S	.	.			trans	-67.6	121.1	168.4	-69.1	-75.9	-78.4	0	0	108.1	K46 N47 E64	M44-K46 HydrophobicContact CB-CB 4.43Å; M44-K46 HydrophobicContact CE-CD 4.14Å; M44-K46 PolarHBondContact O-N 2.78Å; M44-N47 PolarHBondContact O-N 3.46Å; M44-E64 PolarHBondContact N-OE1 2.59Å
45	L	43.3	Very low	41	Very low	40 Å²	40	79.8 Å²	79.8	21%	0.209	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-53.2	-12.8	175.7	-68.5	172.1	0	0	0	113.7	F35 F38 F40 F43 N47 L48	F35-L45 HydrophobicContact CB-CD1 4.28Å; F38-L45 WeakPolarHBondContact O-CD1 3.45Å; F40-L45 HydrophobicContact CD2-CD2 4.22Å; F43-L45 PolarHBondContact O-N 3.37Å; L45-N47 PolarHBondContact O-N 3.42Å; L45-N47 VanDerWaalsContact O-N 3.08Å; L45-L48 HydrophobicContact CD2-CB 4.48Å; L45-L48 HydrophobicContact CD2-CD2 3.63Å; L45-L48 WeakPolarHBondContact O-CB 3.44Å; L45-L48 PolarHBondContact O-N 3.48Å
46	K	43.4	Very low	41.3	Very low	173 Å²	173	79.7 Å²	79.7	75%	0.752	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-54.3	-23.8	173.5	-65	-171.6	176.8	-174.8	0	114	M44	M44-K46 HydrophobicContact CB-CB 4.43Å; M44-K46 HydrophobicContact CE-CD 4.14Å; M44-K46 PolarHBondContact O-N 2.78Å
47	N	48.3	Very low	42.1	Very low	36 Å²	36	77.3 Å²	77.3	19%	0.193	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-110.5	18	179.6	-64.8	-31.8	0	0	0	112.9	M44 L45 L62	M44-N47 PolarHBondContact O-N 3.46Å; L45-N47 PolarHBondContact O-N 3.42Å; L45-N47 VanDerWaalsContact O-N 3.08Å; N47-L62 HydrophobicContact CB-CB 4.21Å; N47-L62 WeakPolarHBondContact O-CB 3.41Å; N47-L62 PolarHBondContact O-N 3.24Å
48	L	51.1	Low	43	Very low	27 Å²	27	75.6 Å²	75.6	14%	0.141	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.9	177.1	178.4	67.6	0	0	0	110	L45 L59 F61	L45-L48 HydrophobicContact CD2-CB 4.48Å; L45-L48 HydrophobicContact CD2-CD2 3.63Å; L45-L48 WeakPolarHBondContact O-CB 3.44Å; L45-L48 PolarHBondContact O-N 3.48Å; L48-L59 HydrophobicContact CD1-CB 3.88Å; L48-L59 HydrophobicContact CD1-CD2 4.21Å; L48-L59 HydrophobicContact CD2-CD2 4.17Å; L48-F61 HydrophobicContact CB-CD1 4.34Å; L48-F61 HydrophobicContact CB-CE1 4.34Å; L48-F61 HydrophobicContact CD1-CD1 3.94Å; L48-F61 HydrophobicContact CD1-CD2 3.9Å; L48-F61 HydrophobicContact CD1-CE1 3.8Å; L48-F61 HydrophobicContact CD1-CE2 3.76Å; L48-F61 HydrophobicContact CD1-CG 4Å; L48-F61 HydrophobicContact CD1-CZ 3.72Å; L48-F61 HydrophobicContact CG-CE1 4.46Å
49	S	49.8	Very low	44	Very low	62 Å²	62	73.2 Å²	73.2	43%	0.434	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.6	159.4	-175.3	0	0	0	0	108.6	T60	S49-T60 PolarHBondContact N-O 3.28Å; S49-T60 WeakPolarHBondContact O-CA 3.49Å; S49-T60 PolarHBondContact O-N 3.32Å
50	Y	53.1	Low	44.9	Very low	77 Å²	77	67.5 Å²	67.5	30%	0.302	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.8	175.5	60.8	-91.2	0	0	0	111.3	L31 F52 I58	L31-Y50 HydrophobicContact CB-CD1 4.49Å; L31-Y50 HydrophobicContact CB-CE1 4.26Å; L31-Y50 HydrophobicContact CD1-CD1 3.44Å; L31-Y50 VanDerWaalsContact CD1-CD1 3.44Å; L31-Y50 HydrophobicContact CD1-CD2 3.59Å; L31-Y50 HydrophobicContact CD1-CE1 3.48Å; L31-Y50 VanDerWaalsContact CD1-CE1 3.48Å; L31-Y50 HydrophobicContact CD1-CE2 3.68Å; L31-Y50 HydrophobicContact CD1-CG 3.46Å; L31-Y50 VanDerWaalsContact CD1-CG 3.46Å; L31-Y50 HydrophobicContact CG-CE1 4.49Å; Y50-F52 AromaticContact CD2-CD2 3.72Å; Y50-F52 HydrophobicContact CD2-CD2 3.72Å; Y50-F52 AromaticContact CD2-CE2 3.4Å; Y50-F52 HydrophobicContact CD2-CE2 3.4Å; Y50-F52 VanDerWaalsContact CD2-CE2 3.4Å; Y50-F52 HydrophobicContact CD2-CZ 4.22Å; Y50-F52 AromaticContact CE2-CD2 3.79Å; Y50-F52 HydrophobicContact CE2-CD2 3.79Å; Y50-F52 AromaticContact CE2-CE2 3.29Å; Y50-F52 HydrophobicContact CE2-CE2 3.29Å; Y50-F52 HydrophobicContact CE2-CZ 4.29Å; Y50-I58 CarbonylContact C-O 3.54Å; Y50-I58 WeakPolarHBondContact CA-O 3.38Å; Y50-I58 WeakPolarHBondContact CB-O 3.44Å
51	D	44	Very low	45.7	Very low	103 Å²	103	65.3 Å²	65.3	55%	0.551	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.9	172.1	-153.2	-12.3	0	0	0	109.4	I58	D51-I58 HydrophobicContact CB-CB 4.3Å; D51-I58 PolarHBondContact N-O 3.32Å; D51-I58 PolarHBondContact O-N 2.93Å
52	F	46.1	Very low	46.3	Very low	40 Å²	40	65.3 Å²	65.3	18%	0.175	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110.1	-179.8	-77.2	-78.1	0	0	0	108.6	W24 L27 L31 Y50 I57	W24-F52 HydrophobicContact CH2-CB 4.16Å; L27-F52 HydrophobicContact CB-CE1 4.1Å; L27-F52 HydrophobicContact CB-CE2 4.12Å; L27-F52 HydrophobicContact CB-CZ 3.8Å; L27-F52 HydrophobicContact CD1-CD1 4.29Å; L27-F52 HydrophobicContact CD1-CE1 3.96Å; L27-F52 HydrophobicContact CD1-CZ 4.49Å; L27-F52 HydrophobicContact CD2-CE1 3.86Å; L27-F52 HydrophobicContact CD2-CZ 3.9Å; L27-F52 HydrophobicContact CG-CE1 4.19Å; L27-F52 HydrophobicContact CG-CZ 4.27Å; L27-F52 VanDerWaalsContact O-CE2 3.31Å; L27-F52 WeakPolarHBondContact O-CE2 3.39Å; L31-F52 HydrophobicContact CD1-CE2 4.23Å; L31-F52 HydrophobicContact CD1-CZ 4Å; Y50-F52 AromaticContact CD2-CD2 3.72Å; Y50-F52 HydrophobicContact CD2-CD2 3.72Å; Y50-F52 AromaticContact CD2-CE2 3.4Å; Y50-F52 HydrophobicContact CD2-CE2 3.4Å; Y50-F52 VanDerWaalsContact CD2-CE2 3.4Å; Y50-F52 HydrophobicContact CD2-CZ 4.22Å; Y50-F52 AromaticContact CE2-CD2 3.79Å; Y50-F52 HydrophobicContact CE2-CD2 3.79Å; Y50-F52 AromaticContact CE2-CE2 3.29Å; Y50-F52 HydrophobicContact CE2-CE2 3.29Å; Y50-F52 HydrophobicContact CE2-CZ 4.29Å; F52-I57 HydrophobicContact CD1-CD1 4.2Å; F52-I57 HydrophobicContact CD1-CG1 3.75Å; F52-I57 HydrophobicContact CD1-CG2 4.37Å; F52-I57 HydrophobicContact CE1-CB 4.46Å; F52-I57 HydrophobicContact CE1-CD1 3.52Å; F52-I57 HydrophobicContact CE1-CG1 3.6Å; F52-I57 HydrophobicContact CE1-CG2 4.13Å; F52-I57 HydrophobicContact CZ-CD1 4.41Å
53	I	48.7	Very low	47	Very low	68 Å²	68	61.1 Å²	61.1	35%	0.349	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.5	168.7	-57.3	-178.4	0	0	0	106.4	Q55 E56 I58	I53-Q55 PolarHBondContact O-N 2.76Å; I53-E56 CarbonylContact C-O 3.58Å; I53-E56 HydrophobicContact CB-CB 4.27Å; I53-E56 PolarHBondContact N-O 2.85Å; I53-E56 CarbonylContact O-C 3.54Å; I53-E56 PolarHBondContact O-N 2.75Å; I53-I58 HydrophobicContact CD1-CD1 3.47Å; I53-I58 VanDerWaalsContact CD1-CD1 3.47Å; I53-I58 HydrophobicContact CD1-CG1 4.21Å; I53-I58 HydrophobicContact CG1-CD1 4.26Å
54	P	45.9	Very low	47.6	Very low	101 Å²	101	59.6 Å²	59.6	66%	0.656	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	120.6	171	-26.1	34.4	0	0	0	109.5
55	Q	47.3	Very low	47.9	Very low	131 Å²	131	61 Å²	61	61%	0.612	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	0.6	-176.6	-47.9	169.3	6.4	0	0	117.1	I53 L94 T95	I53-Q55 PolarHBondContact O-N 2.76Å; Q55-L94 WeakPolarHBondContact O-CA 3.34Å; Q55-L94 WeakPolarHBondContact O-CB 3.43Å; Q55-L94 PolarHBondContact O-N 3.13Å; Q55-T95 HydrophobicContact CB-CG2 3.98Å; Q55-T95 HydrophobicContact CG-CG2 4.33Å
56	E	43.7	Very low	47.8	Very low	60 Å²	60	63.5 Å²	63.5	28%	0.28	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143	179.8	-64.4	178.4	-176.3	0	0	112.4	I53 V91 V92 L93	I53-E56 CarbonylContact C-O 3.58Å; I53-E56 HydrophobicContact CB-CB 4.27Å; I53-E56 PolarHBondContact N-O 2.85Å; I53-E56 CarbonylContact O-C 3.54Å; I53-E56 PolarHBondContact O-N 2.75Å; E56-V91 HydrophobicContact CB-CG1 4.29Å; E56-V91 HydrophobicContact CG-CG1 4.31Å; E56-V91 WeakPolarHBondContact OE2-CG1 3.34Å; E56-V92 CarbonylContact C-O 3.54Å; E56-V92 WeakPolarHBondContact CA-O 3.24Å; E56-L93 HydrophobicContact CG-CD2 3.74Å; E56-L93 HydrophobicContact CG-CG 4.26Å; E56-L93 VanDerWaalsContact OE1-CD2 3.31Å; E56-L93 WeakPolarHBondContact OE1-CD2 3.29Å
57	I	49.1	Very low	47.4	Very low	21 Å²	21	58.4 Å²	58.4	11%	0.108	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.2	166.2	-51.7	178.9	0	0	0	107.8	F52 L59 V92 L94	F52-I57 HydrophobicContact CD1-CD1 4.2Å; F52-I57 HydrophobicContact CD1-CG1 3.75Å; F52-I57 HydrophobicContact CD1-CG2 4.37Å; F52-I57 HydrophobicContact CE1-CB 4.46Å; F52-I57 HydrophobicContact CE1-CD1 3.52Å; F52-I57 HydrophobicContact CE1-CG1 3.6Å; F52-I57 HydrophobicContact CE1-CG2 4.13Å; F52-I57 HydrophobicContact CZ-CD1 4.41Å; I57-L59 HydrophobicContact CG2-CD2 3.66Å; I57-L59 HydrophobicContact CG2-CG 4.12Å; I57-V92 HydrophobicContact CB-CB 4.41Å; I57-V92 PolarHBondContact N-O 3.22Å; I57-V92 PolarHBondContact O-N 2.99Å; I57-L94 HydrophobicContact CD1-CD1 4.47Å; I57-L94 HydrophobicContact CD1-CD2 3.84Å; I57-L94 HydrophobicContact CD1-CG 4.48Å; I57-L94 HydrophobicContact CG1-CD1 3.95Å; I57-L94 HydrophobicContact CG1-CD2 3.97Å; I57-L94 HydrophobicContact CG1-CG 4.07Å
58	I	50	Low	46.9	Very low	35 Å²	35	61.4 Å²	61.4	18%	0.179	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.5	171.5	-57.1	-176.1	0	0	0	107.7	Y50 D51 I53 T89 Y90 V91	Y50-I58 CarbonylContact C-O 3.54Å; Y50-I58 WeakPolarHBondContact CA-O 3.38Å; Y50-I58 WeakPolarHBondContact CB-O 3.44Å; D51-I58 HydrophobicContact CB-CB 4.3Å; D51-I58 PolarHBondContact N-O 3.32Å; D51-I58 PolarHBondContact O-N 2.93Å; I53-I58 HydrophobicContact CD1-CD1 3.47Å; I53-I58 VanDerWaalsContact CD1-CD1 3.47Å; I53-I58 HydrophobicContact CD1-CG1 4.21Å; I53-I58 HydrophobicContact CG1-CD1 4.26Å; I58-T89 HydrophobicContact CG2-CG2 3.51Å; I58-Y90 CarbonylContact C-O 3.58Å; I58-V91 HydrophobicContact CG1-CG2 4.36Å
59	L	55.3	Low	46.3	Very low	16 Å²	16	65.8 Å²	65.8	8%	0.084	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109.3	176.3	-63.1	-177.2	0	0	0	109.5	L31 L48 I57 F61 T89 Y90 V92	L31-L59 HydrophobicContact CD2-CD2 4.22Å; L48-L59 HydrophobicContact CD1-CB 3.88Å; L48-L59 HydrophobicContact CD1-CD2 4.21Å; L48-L59 HydrophobicContact CD2-CD2 4.17Å; I57-L59 HydrophobicContact CG2-CD2 3.66Å; I57-L59 HydrophobicContact CG2-CG 4.12Å; L59-F61 HydrophobicContact CB-CE2 4.17Å; L59-T89 CarbonylContact O-C 3.55Å; L59-T89 WeakPolarHBondContact O-CA 2.83Å; L59-Y90 PolarHBondContact N-O 2.92Å; L59-Y90 PolarHBondContact O-N 3.23Å; L59-V92 HydrophobicContact CD1-CG2 4.02Å; L59-V92 HydrophobicContact CG-CG2 4.42Å
60	T	48.2	Very low	45.9	Very low	31 Å²	31	66.1 Å²	66.1	19%	0.19	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	105.3	-179.8	-62.8	0	0	0	0	110.5	S49 L62 T87 T89	S49-T60 PolarHBondContact N-O 3.28Å; S49-T60 WeakPolarHBondContact O-CA 3.49Å; S49-T60 PolarHBondContact O-N 3.32Å; T60-L62 PolarHBondContact O-N 3.24Å; T60-T87 HydrophobicContact CG2-CG2 3.3Å; T60-T89 PolarHBondContact OG1-OG1 2.94Å
61	F	49.7	Very low	45.1	Very low	9 Å²	9	67.1 Å²	67.1	4%	0.039	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109.9	173.7	-63.8	-95.1	0	0	0	109.5	F40 F43 L48 L59 T87 K88 Y90	F40-F61 HydrophobicContact CB-CE1 4.3Å; F40-F61 HydrophobicContact CB-CZ 4.26Å; F40-F61 HydrophobicContact CD1-CZ 4.42Å; F40-F61 HydrophobicContact CD2-CZ 4.3Å; F40-F61 HydrophobicContact CG-CZ 4.08Å; F43-F61 HydrophobicContact CB-CD1 3.95Å; F43-F61 HydrophobicContact CB-CE1 4.08Å; F43-F61 HydrophobicContact CD1-CD1 4.4Å; F43-F61 HydrophobicContact CG-CD1 4.25Å; L48-F61 HydrophobicContact CB-CD1 4.34Å; L48-F61 HydrophobicContact CB-CE1 4.34Å; L48-F61 HydrophobicContact CD1-CD1 3.94Å; L48-F61 HydrophobicContact CD1-CD2 3.9Å; L48-F61 HydrophobicContact CD1-CE1 3.8Å; L48-F61 HydrophobicContact CD1-CE2 3.76Å; L48-F61 HydrophobicContact CD1-CG 4Å; L48-F61 HydrophobicContact CD1-CZ 3.72Å; L48-F61 HydrophobicContact CG-CE1 4.46Å; L59-F61 HydrophobicContact CB-CE2 4.17Å; F61-T87 WeakPolarHBondContact O-CA 3.36Å; F61-T87 WeakPolarHBondContact O-CG2 3.31Å; F61-K88 PolarHBondContact N-O 2.79Å; F61-K88 PolarHBondContact O-N 2.97Å; F61-Y90 AromaticContact CD2-CD2 3.54Å; F61-Y90 HydrophobicContact CD2-CD2 3.54Å; F61-Y90 AromaticContact CD2-CE2 3.52Å; F61-Y90 HydrophobicContact CD2-CE2 3.52Å; F61-Y90 AromaticContact CE2-CD2 3.57Å; F61-Y90 HydrophobicContact CE2-CD2 3.57Å; F61-Y90 AromaticContact CE2-CE2 3.74Å; F61-Y90 HydrophobicContact CE2-CE2 3.74Å
62	L	47.2	Very low	45.1	Very low	82 Å²	82	65.4 Å²	65.4	43%	0.429	35%	0.354	S	S	.	.			trans	-65.5	143	170.3	-60.9	172.6	0	0	0	109.1	N47 T60 E64 T87	N47-L62 HydrophobicContact CB-CB 4.21Å; N47-L62 WeakPolarHBondContact O-CB 3.41Å; N47-L62 PolarHBondContact O-N 3.24Å; T60-L62 PolarHBondContact O-N 3.24Å; L62-E64 PolarHBondContact O-N 3.29Å; L62-T87 HydrophobicContact CD2-CG2 4.4Å
63	P	50.1	Low	45.2	Very low	35 Å²	35	69 Å²	69	23%	0.227	38%	0.384	C	S	.	.			trans	-57.9	129.5	179.5	24.6	-34.2	0	0	0	110.2	T65 S84 K85	P63-T65 PolarHBondContact O-N 2.8Å; P63-S84 VanDerWaalsContact CB-O 3.25Å; P63-S84 WeakPolarHBondContact CB-O 3.33Å; P63-K85 WeakPolarHBondContact CG-O 3.36Å
64	E	48	Very low	45.1	Very low	23 Å²	23	73.1 Å²	73.1	11%	0.107	40%	0.402	C	S	.	.			trans	-61.1	113.3	174.4	-66.6	-171	156.2	0	0	109	F43 M44 L62 H66 K69 Y70	F43-E64 HydrophobicContact CD1-CG 4.23Å; F43-E64 HydrophobicContact CE1-CG 4.42Å; M44-E64 PolarHBondContact N-OE1 2.59Å; L62-E64 PolarHBondContact O-N 3.29Å; E64-H66 PolarHBondContact O-N 2.79Å; E64-K69 IonicContact OE2-NZ 3.88Å; E64-K69 PolarHBondContact OE2-NZ 3.32Å; E64-Y70 PolarHBondContact O-OH 2.83Å
65	T	43.2	Very low	45.1	Very low	110 Å²	110	70.5 Å²	70.5	68%	0.675	39%	0.394	S	S	*	.			trans	-76.1	8.2	176.2	51.9	0	0	0	0	112.9	P63 A67 Y70	P63-T65 PolarHBondContact O-N 2.8Å; T65-A67 PolarHBondContact O-N 3.39Å; T65-Y70 VanDerWaalsContact CA-OH 3.24Å; T65-Y70 WeakPolarHBondContact CA-OH 3.44Å
66	H	41.2	Very low	44.9	Very low	94 Å²	94	67.6 Å²	67.6	44%	0.435	39%	0.387	S	S	.	.			trans	-61.7	101.2	-179.3	-74.4	-64.7	0	0	0	110.1	E64 S68 K69	E64-H66 PolarHBondContact O-N 2.79Å; H66-S68 PolarHBondContact O-N 2.73Å; H66-K69 PolarHBondContact O-N 2.77Å; H66-K69 VanDerWaalsContact O-N 3.13Å
67	A	35.6	Very low	45.2	Very low	66 Å²	66	73 Å²	73	55%	0.545	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-52.3	-26.5	-179.4	0	0	0	0	0	113.9	T65 K69 Y70	T65-A67 PolarHBondContact O-N 3.39Å; A67-K69 PolarHBondContact O-N 2.92Å; A67-Y70 HydrophobicContact CB-CD2 4.05Å; A67-Y70 HydrophobicContact CB-CE2 4.21Å; A67-Y70 WeakPolarHBondContact O-CB 3.39Å; A67-Y70 WeakPolarHBondContact O-CD2 3.49Å; A67-Y70 PolarHBondContact O-N 3.4Å
68	S	37.9	Very low	45.3	Very low	98 Å²	98	74.9 Å²	74.9	69%	0.685	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-64.1	-18	-179.1	50.5	0	0	0	0	114.9	H66	H66-S68 PolarHBondContact O-N 2.73Å
69	K	38.8	Very low	45.4	Very low	120 Å²	120	82.6 Å²	82.6	52%	0.522	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-90.8	-6.7	171.6	-71	-179.9	-177.7	166	0	113.5	E64 H66 A67 L71	E64-K69 IonicContact OE2-NZ 3.88Å; E64-K69 PolarHBondContact OE2-NZ 3.32Å; H66-K69 PolarHBondContact O-N 2.77Å; H66-K69 VanDerWaalsContact O-N 3.13Å; A67-K69 PolarHBondContact O-N 2.92Å; K69-L71 VanDerWaalsContact C-N 3.34Å
70	Y	40	Very low	45.1	Very low	69 Å²	69	86.3 Å²	86.3	27%	0.271	47%	0.467	S	S	.	.	S	Bend	trans	-85.2	-10.6	-177.8	-54.8	-41.5	0	0	0	113.7	E64 T65 A67 R77 N78	E64-Y70 PolarHBondContact O-OH 2.83Å; T65-Y70 VanDerWaalsContact CA-OH 3.24Å; T65-Y70 WeakPolarHBondContact CA-OH 3.44Å; A67-Y70 HydrophobicContact CB-CD2 4.05Å; A67-Y70 HydrophobicContact CB-CE2 4.21Å; A67-Y70 WeakPolarHBondContact O-CB 3.39Å; A67-Y70 WeakPolarHBondContact O-CD2 3.49Å; A67-Y70 PolarHBondContact O-N 3.4Å; Y70-R77 CarbonylContact O-C 3.57Å; Y70-R77 WeakPolarHBondContact O-CA 3.11Å; Y70-N78 PolarHBondContact O-N 3.41Å
71	L	37	Very low	44.8	Very low	97 Å²	97	87.9 Å²	87.9	51%	0.508	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-108.2	127.3	175.9	-55.2	-179.2	0	0	0	107.7	K69 G75 C76	K69-L71 VanDerWaalsContact C-N 3.34Å; L71-G75 WeakPolarHBondContact CD2-O 3.43Å; L71-C76 CarbonylContact C-O 3.51Å; L71-C76 WeakPolarHBondContact CA-O 3.49Å
72	D	43.8	Very low	44.7	Very low	67 Å²	67	93.5 Å²	93.5	36%	0.358	50%	0.496	S	S	.	.			trans	-64.7	177.5	163.8	62.6	25.6	0	0	0	110.1	H74 G75 C76	D72-H74 PolarHBondContact O-N 3.04Å; D72-H74 WeakPolarHBondContact OD1-CA 3.35Å; D72-H74 WeakPolarHBondContact OD1-CB 3.39Å; D72-H74 PolarHBondContact OD1-N 3.01Å; D72-H74 IonicContact OD1-ND1 3.29Å; D72-G75 PolarHBondContact O-N 2.78Å; D72-G75 PolarHBondContact OD1-N 3.19Å; D72-C76 PolarHBondContact N-O 2.77Å; D72-C76 WeakPolarHBondContact OD1-CA 3.25Å; D72-C76 WeakPolarHBondContact OD1-CB 3.49Å; D72-C76 PolarHBondContact OD1-N 3.08Å; D72-C76 WeakPolarHBondContact OD2-CB 3.25Å
73	S	49.7	Very low	44.7	Very low	116 Å²	116	96.3 Å²	96.3	81%	0.811	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-11.1	178.9	56.5	0	0	0	0	114.2
74	H	45.8	Very low	44.4	Very low	154 Å²	154	98.1 Å²	98.1	71%	0.713	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	9.3	179.4	-52.2	91.4	0	0	0	112.8	D72 C76	D72-H74 PolarHBondContact O-N 3.04Å; D72-H74 WeakPolarHBondContact OD1-CA 3.35Å; D72-H74 WeakPolarHBondContact OD1-CB 3.39Å; D72-H74 PolarHBondContact OD1-N 3.01Å; D72-H74 IonicContact OD1-ND1 3.29Å; H74-C76 PolarHBondContact O-N 3.27Å
75	G	46.1	Very low	44.3	Very low	47 Å²	47	103.1 Å²	103.1	49%	0.485	54%	0.539	S	S	.	.	S	Bend	trans	74.5	13.1	-177.4	0	0	0	0	0	113.1	L71 D72	L71-G75 WeakPolarHBondContact CD2-O 3.43Å; D72-G75 PolarHBondContact O-N 2.78Å; D72-G75 PolarHBondContact OD1-N 3.19Å
76	C	43.6	Very low	44.5	Very low	69 Å²	69	107 Å²	107	47%	0.466	54%	0.542	S	S	.	.			trans	-98.2	143.2	-175.9	-73.4	0	0	0	0	111.5	L71 D72 H74 N78	L71-C76 CarbonylContact C-O 3.51Å; L71-C76 WeakPolarHBondContact CA-O 3.49Å; D72-C76 PolarHBondContact N-O 2.77Å; D72-C76 WeakPolarHBondContact OD1-CA 3.25Å; D72-C76 WeakPolarHBondContact OD1-CB 3.49Å; D72-C76 PolarHBondContact OD1-N 3.08Å; D72-C76 WeakPolarHBondContact OD2-CB 3.25Å; H74-C76 PolarHBondContact O-N 3.27Å; C76-N78 PolarHBondContact O-N 3.05Å; C76-N78 VanDerWaalsContact O-N 3.1Å
77	R	48	Very low	44.9	Very low	174 Å²	174	105.8 Å²	105.8	66%	0.657	54%	0.541	S	S	*	.	B	Isolated β-bridge	trans	-61	113.7	-174	-168.6	178	-175.7	-161.9	-0.8	110.8	Y70 K79	Y70-R77 CarbonylContact O-C 3.57Å; Y70-R77 WeakPolarHBondContact O-CA 3.11Å; R77-K79 PolarHBondContact O-N 3.38Å
78	N	51.1	Low	45.5	Very low	61 Å²	61	106.2 Å²	106.2	33%	0.326	53%	0.53	S	S	.	.			trans	-63.8	118.5	-179.9	-175.6	-18.6	0	0	0	110.6	Y70 C76 N80 W81	Y70-N78 PolarHBondContact O-N 3.41Å; C76-N78 PolarHBondContact O-N 3.05Å; C76-N78 VanDerWaalsContact O-N 3.1Å; N78-N80 PolarHBondContact O-N 3.16Å; N78-N80 VanDerWaalsContact O-N 3.12Å; N78-N80 WeakPolarHBondContact OD1-CB 3.34Å; N78-N80 PolarHBondContact OD1-N 3.28Å; N78-W81 VanDerWaalsContact O-CB 3.29Å; N78-W81 WeakPolarHBondContact O-CB 3.34Å; N78-W81 VanDerWaalsContact O-CD1 3.23Å; N78-W81 PolarHBondContact O-N 3.41Å
79	K	52.2	Low	45.9	Very low	196 Å²	196	105.3 Å²	105.3	85%	0.852	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.6	-178.1	-68.1	-177.2	-179.1	177.6	0	114.2	R77 W81	R77-K79 PolarHBondContact O-N 3.38Å; K79-W81 PolarHBondContact O-N 3.5Å
80	N	49.6	Very low	46.4	Very low	94 Å²	94	103.2 Å²	103.2	50%	0.503	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	8	173.6	-74.9	-24.4	0	0	0	113.8	N78 E82 K83 S84	N78-N80 PolarHBondContact O-N 3.16Å; N78-N80 VanDerWaalsContact O-N 3.12Å; N78-N80 WeakPolarHBondContact OD1-CB 3.34Å; N78-N80 PolarHBondContact OD1-N 3.28Å; N80-E82 VanDerWaalsContact C-N 3.28Å; N80-E82 PolarHBondContact O-N 3.46Å; N80-K83 PolarHBondContact O-N 3.47Å; N80-K83 VanDerWaalsContact O-N 3.16Å; N80-S84 PolarHBondContact O-N 3.32Å
81	W	42	Very low	46.5	Very low	65 Å²	65	103.9 Å²	103.9	25%	0.246	52%	0.521	C	S	.	.	H	α-helix	trans	-56.3	-36.4	-179.9	73	-85.9	0	0	0	113.6	N78 K79 K83 S84 K85	N78-W81 VanDerWaalsContact O-CB 3.29Å; N78-W81 WeakPolarHBondContact O-CB 3.34Å; N78-W81 VanDerWaalsContact O-CD1 3.23Å; N78-W81 PolarHBondContact O-N 3.41Å; K79-W81 PolarHBondContact O-N 3.5Å; W81-K83 VanDerWaalsContact C-N 3.3Å; W81-K83 PolarHBondContact O-N 3.15Å; W81-S84 PolarHBondContact O-N 3.2Å; W81-S84 VanDerWaalsContact O-N 3.15Å; W81-K85 HydrophobicContact CE3-CD 4.18Å; W81-K85 HydrophobicContact CE3-CG 4.47Å; W81-K85 HydrophobicContact CZ3-CD 3.88Å; W81-K85 PolarHBondContact O-N 2.87Å
82	E	46.9	Very low	47.1	Very low	126 Å²	126	102.4 Å²	102.4	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-65	-35.8	179.8	-69.5	-170.5	166.1	0	0	112	N80 S84 K85	N80-E82 VanDerWaalsContact C-N 3.28Å; N80-E82 PolarHBondContact O-N 3.46Å; E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 2.91Å; E82-K85 PolarHBondContact O-N 2.89Å
83	K	47.7	Very low	46.9	Very low	142 Å²	142	103.7 Å²	103.7	62%	0.617	52%	0.522	S	S	*	.	H	α-helix	trans	-68.4	-32.6	176.4	-65.7	-176.4	178.8	-180	0	111.4	N80 W81 K85 R86	N80-K83 PolarHBondContact O-N 3.47Å; N80-K83 VanDerWaalsContact O-N 3.16Å; W81-K83 VanDerWaalsContact C-N 3.3Å; W81-K83 PolarHBondContact O-N 3.15Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.31Å; K83-R86 PolarHBondContact O-N 3.41Å
84	S	44.8	Very low	46.8	Very low	72 Å²	72	100.5 Å²	100.5	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-76.8	-16.8	-178.4	-61	0	0	0	0	113.8	P63 N80 W81 E82 R86	P63-S84 VanDerWaalsContact CB-O 3.25Å; P63-S84 WeakPolarHBondContact CB-O 3.33Å; N80-S84 PolarHBondContact O-N 3.32Å; W81-S84 PolarHBondContact O-N 3.2Å; W81-S84 VanDerWaalsContact O-N 3.15Å; E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 2.91Å; S84-R86 VanDerWaalsContact C-N 3.29Å
85	K	44.3	Very low	46.6	Very low	129 Å²	129	97.1 Å²	97.1	56%	0.561	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.7	173.1	-75.1	-163.4	178.2	-173.6	0	114	P63 W81 E82 K83 T87	P63-K85 WeakPolarHBondContact CG-O 3.36Å; W81-K85 HydrophobicContact CE3-CD 4.18Å; W81-K85 HydrophobicContact CE3-CG 4.47Å; W81-K85 HydrophobicContact CZ3-CD 3.88Å; W81-K85 PolarHBondContact O-N 2.87Å; E82-K85 PolarHBondContact O-N 2.89Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.31Å; K85-T87 PolarHBondContact O-N 2.84Å
86	R	48.3	Very low	46.2	Very low	191 Å²	191	102.1 Å²	102.1	72%	0.721	50%	0.497	S	S	*	.			trans	-74.6	114.4	-177.9	-66.6	-172.9	-179.5	-173.7	-1.2	109.3	K83 S84 K88	K83-R86 PolarHBondContact O-N 3.41Å; S84-R86 VanDerWaalsContact C-N 3.29Å; R86-K88 PolarHBondContact O-N 3.1Å
87	T	48.9	Very low	45.8	Very low	69 Å²	69	102.4 Å²	102.4	42%	0.423	49%	0.493	S	S	.	.			trans	-51.7	131.8	162.8	-50.5	0	0	0	0	108.5	T60 F61 L62 K85	T60-T87 HydrophobicContact CG2-CG2 3.3Å; F61-T87 WeakPolarHBondContact O-CA 3.36Å; F61-T87 WeakPolarHBondContact O-CG2 3.31Å; L62-T87 HydrophobicContact CD2-CG2 4.4Å; K85-T87 PolarHBondContact O-N 2.84Å
88	K	49.6	Very low	44.9	Very low	74 Å²	74	98.2 Å²	98.2	32%	0.322	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.7	174.1	-67.4	-170.1	180	-174.5	0	108.5	F61 R86 Y90	F61-K88 PolarHBondContact N-O 2.79Å; F61-K88 PolarHBondContact O-N 2.97Å; R86-K88 PolarHBondContact O-N 3.1Å; K88-Y90 HydrophobicContact CB-CE2 3.72Å; K88-Y90 WeakPolarHBondContact CD-OH 3.5Å
89	T	46.2	Very low	43.9	Very low	79 Å²	79	103.3 Å²	103.3	49%	0.485	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.9	175.1	-58.9	0	0	0	0	108.9	I58 L59 T60	I58-T89 HydrophobicContact CG2-CG2 3.51Å; L59-T89 CarbonylContact O-C 3.55Å; L59-T89 WeakPolarHBondContact O-CA 2.83Å; T60-T89 PolarHBondContact OG1-OG1 2.94Å
90	Y	48.7	Very low	42.7	Very low	77 Å²	77	98.2 Å²	98.2	30%	0.302	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.6	175	-58.2	-91	0	0	0	107.8	I58 L59 F61 K88	I58-Y90 CarbonylContact C-O 3.58Å; L59-Y90 PolarHBondContact N-O 2.92Å; L59-Y90 PolarHBondContact O-N 3.23Å; F61-Y90 AromaticContact CD2-CD2 3.54Å; F61-Y90 HydrophobicContact CD2-CD2 3.54Å; F61-Y90 AromaticContact CD2-CE2 3.52Å; F61-Y90 HydrophobicContact CD2-CE2 3.52Å; F61-Y90 AromaticContact CE2-CD2 3.57Å; F61-Y90 HydrophobicContact CE2-CD2 3.57Å; F61-Y90 AromaticContact CE2-CE2 3.74Å; F61-Y90 HydrophobicContact CE2-CE2 3.74Å; K88-Y90 HydrophobicContact CB-CE2 3.72Å; K88-Y90 WeakPolarHBondContact CD-OH 3.5Å
91	V	42.8	Very low	41.5	Very low	83 Å²	83	102 Å²	102	50%	0.503	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.4	172.9	-177.3	0	0	0	0	106.9	E56 I58	E56-V91 HydrophobicContact CB-CG1 4.29Å; E56-V91 HydrophobicContact CG-CG1 4.31Å; E56-V91 WeakPolarHBondContact OE2-CG1 3.34Å; I58-V91 HydrophobicContact CG1-CG2 4.36Å
92	V	48.8	Very low	40.6	Very low	65 Å²	65	105.9 Å²	105.9	39%	0.394	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	108.7	176.9	-176.4	0	0	0	0	107.2	E56 I57 L59 L94	E56-V92 CarbonylContact C-O 3.54Å; E56-V92 WeakPolarHBondContact CA-O 3.24Å; I57-V92 HydrophobicContact CB-CB 4.41Å; I57-V92 PolarHBondContact N-O 3.22Å; I57-V92 PolarHBondContact O-N 2.99Å; L59-V92 HydrophobicContact CD1-CG2 4.02Å; L59-V92 HydrophobicContact CG-CG2 4.42Å; V92-L94 PolarHBondContact O-N 2.97Å
93	L	40.8	Very low	39.5	Very low	94 Å²	94	107.5 Å²	107.5	49%	0.492	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122	174	-77	146.8	0	0	0	109.5	E56 T95	E56-L93 HydrophobicContact CG-CD2 3.74Å; E56-L93 HydrophobicContact CG-CG 4.26Å; E56-L93 VanDerWaalsContact OE1-CD2 3.31Å; E56-L93 WeakPolarHBondContact OE1-CD2 3.29Å; L93-T95 VanDerWaalsContact C-N 3.28Å
94	L	47.2	Very low	38.4	Very low	50 Å²	50	107 Å²	107	26%	0.262	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-79.6	-12.2	173.7	-62.3	169.2	0	0	0	112	Q55 I57 V92 E96 I97	Q55-L94 WeakPolarHBondContact O-CA 3.34Å; Q55-L94 WeakPolarHBondContact O-CB 3.43Å; Q55-L94 PolarHBondContact O-N 3.13Å; I57-L94 HydrophobicContact CD1-CD1 4.47Å; I57-L94 HydrophobicContact CD1-CD2 3.84Å; I57-L94 HydrophobicContact CD1-CG 4.48Å; I57-L94 HydrophobicContact CG1-CD1 3.95Å; I57-L94 HydrophobicContact CG1-CD2 3.97Å; I57-L94 HydrophobicContact CG1-CG 4.07Å; V92-L94 PolarHBondContact O-N 2.97Å; L94-E96 PolarHBondContact O-N 3.19Å; L94-I97 HydrophobicContact CD2-CD1 3.61Å; L94-I97 PolarHBondContact O-N 3.05Å
95	T	40.7	Very low	37.3	Very low	82 Å²	82	111.5 Å²	111.5	50%	0.503	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-63.6	-22.4	177	44.8	0	0	0	0	113.2	Q55 L93	Q55-T95 HydrophobicContact CB-CG2 3.98Å; Q55-T95 HydrophobicContact CG-CG2 4.33Å; L93-T95 VanDerWaalsContact C-N 3.28Å
96	E	37.8	Very low	36.7	Very low	153 Å²	153	110.1 Å²	110.1	72%	0.715	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-104.3	29.2	172.3	-63	-169.6	177.9	0	0	112.8	L94 P98	L94-E96 PolarHBondContact O-N 3.19Å; E96-P98 VanDerWaalsContact C-N 3.27Å; E96-P98 WeakPolarHBondContact O-CD 3.4Å
97	I	35.2	Very low	35.5	Very low	75 Å²	75	107.7 Å²	107.7	39%	0.385	57%	0.574	S	S	.	*	S	Bend	trans	-86.7	83.8	145.3	-53.2	173.3	0	0	0	103.7	M18 L94 L99	M18-I97 HydrophobicContact SD-CD1 3.84Å; M18-I97 HydrophobicContact SD-CG1 4.34Å; L94-I97 HydrophobicContact CD2-CD1 3.61Å; L94-I97 PolarHBondContact O-N 3.05Å; I97-L99 PolarHBondContact O-N 2.86Å
98	P	29.4	Very low	34.5	Very low	86 Å²	86	114 Å²	114	56%	0.558	60%	0.596	S	S	*	*			trans	-60.8	125.3	174.1	36.7	-40	0	0	0	103.6	E96 V100	E96-P98 VanDerWaalsContact C-N 3.27Å; E96-P98 WeakPolarHBondContact O-CD 3.4Å; P98-V100 HydrophobicContact CB-CG2 3.32Å; P98-V100 HydrophobicContact CG-CG2 3.49Å; P98-V100 VanDerWaalsContact CG-CG2 3.49Å; P98-V100 PolarHBondContact O-N 3.24Å
99	L	29.6	Very low	33.3	Very low	167 Å²	167	113.9 Å²	113.9	87%	0.874	62%	0.615	S	S	*	*			trans	-67.8	56.3	176	-150.9	97	0	0	0	107.6	I97 H101	I97-L99 PolarHBondContact O-N 2.86Å; L99-H101 PolarHBondContact O-N 3.07Å
100	V	27.1	Very low	32.4	Very low	90 Å²	90	115.5 Å²	115.5	55%	0.545	63%	0.63	S	S	.	*			trans	-85.8	81.2	-170.7	-173	0	0	0	0	105.5	P98 H102	P98-V100 HydrophobicContact CB-CG2 3.32Å; P98-V100 HydrophobicContact CG-CG2 3.49Å; P98-V100 VanDerWaalsContact CG-CG2 3.49Å; P98-V100 PolarHBondContact O-N 3.24Å; V100-H102 HydrophobicContact CG1-CB 3.62Å; V100-H102 PolarHBondContact O-N 3.12Å
101	H	25	Very low	31.4	Very low	173 Å²	173	122.9 Å²	122.9	80%	0.801	66%	0.659	S	S	*	*			trans	-61.3	46.5	155.2	-146.8	-82.2	0	0	0	110.6	L99	L99-H101 PolarHBondContact O-N 3.07Å
102	H	23.9	Very low	30.5	Very low	146 Å²	146	127.4 Å²	127.4	68%	0.676	67%	0.674	S	S	*	*			trans	-148.8	102.1	-176.8	-83.1	-82.9	0	0	0	111.7	V100	V100-H102 HydrophobicContact CG1-CB 3.62Å; V100-H102 PolarHBondContact O-N 3.12Å
103	H	23.2	Very low	29.5	Very low	161 Å²	161	133.7 Å²	133.7	75%	0.745	70%	0.696	S	S	*	*				38.9	106.2	128.5	-76.2	-93.7	0	0	0	117.3	L105	H103-L105 PolarHBondContact O-N 2.86Å
104	V	24.3	Very low	28.9	Very low	130 Å²	130	135 Å²	135	79%	0.788	70%	0.703	S	S	*	*			trans	28.6	92.5	133.7	-169.6	0	0	0	0	114.5
105	L	22.5	Very low	27.7	Very low	168 Å²	168	140.3 Å²	140.3	88%	0.88	73%	0.731	S	S	*	*			trans	-125.1	104.8	154	-81.5	166.6	0	0	0	108.2	H103	H103-L105 PolarHBondContact O-N 2.86Å
106	P	30.4	Very low	26.9	Very low	100 Å²	100	142.4 Å²	142.4	65%	0.649	74%	0.744	S	S	*	*			trans	-69.7	153.9	163.8	31.6	-29.5	0	0	0	108.5
107	D	24.7	Very low	26.5	Very low	139 Å²	139	144.5 Å²	144.5	74%	0.743	77%	0.767	S	S	*	*	S	Bend	trans	79.8	97.4	175.9	-70.7	-27.3	0	0	0	118.5
108	F	27.4	Very low	26	Very low	203 Å²	203	148 Å²	148	89%	0.89	79%	0.786	S	S	*	*			trans	31.7	109.4	132.2	-65.7	-83.4	0	0	0	118.3
109	G	24.4	Very low	25.9	Very low	71 Å²	71	151.3 Å²	151.3	73%	0.732	80%	0.798	S	S	*	*			trans	144.4	71.7	142.7	0	0	0	0	0	115.8
110	S	26.1	Very low	25.7	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	79%	0.794	S	S	*	*			trans	-174.1	82.8	149.9	10.5	0	0	0	0	111.5
111	Y	27.8	Very low	25.6	Very low	232 Å²	232	153.9 Å²	153.9	91%	0.91	81%	0.808	S	S	*	*			trans	-116.6	76.4	159.6	-63	-80.1	0	0	0	107.6
112	Q	24.7	Very low	25.6	Very low	179 Å²	179	152.8 Å²	152.8	84%	0.836	81%	0.809	S	S	*	*			trans	-114.5	128.6	164.4	-67.1	-176.2	3.8	0	0	104.4
113	K	27.9	Very low	25.7	Very low	197 Å²	197	153.2 Å²	153.2	86%	0.857	82%	0.818	S	S	*	*			cis	-169.8	115.5	45	-169.5	176	-175.6	178.7	0	107.4	L115	K113-L115 PolarHBondContact O-N 3.36Å
114	L	27	Very low	25.9	Very low	120 Å²	120	152.6 Å²	152.6	63%	0.628	82%	0.823	S	S	*	*			trans	-65.9	117.5	176.2	-122.9	101.3	0	0	0	110.2	Y9 T116	Y9-L114 HydrophobicContact CE1-CD1 3.75Å; Y9-L114 HydrophobicContact CE1-CD2 3.62Å; Y9-L114 HydrophobicContact CE1-CG 4.34Å; Y9-L114 WeakPolarHBondContact OH-CD2 3.47Å; L114-T116 PolarHBondContact O-N 2.81Å
115	L	23.6	Very low	26	Very low	162 Å²	162	154.4 Å²	154.4	85%	0.848	83%	0.825	S	S	*	*			trans	-72	112	171	-157.1	81.1	0	0	0	108.3	K113	K113-L115 PolarHBondContact O-N 3.36Å
116	T	23.2	Very low	26.3	Very low	127 Å²	127	153.3 Å²	153.3	78%	0.779	82%	0.821	S	S	*	*			trans	-88.3	125.9	173.5	-48.7	0	0	0	0	107.6	L114	L114-T116 PolarHBondContact O-N 2.81Å
117	V	28.8	Very low	26	Very low	197 Å²	197	158.1 Å²	158.1	100%	1.194	84%	0.836	S	S	*	*			trans	-115.8	0	162.8	-175.4	0	0	0	0	108

Retrieved 117 of 117 residues in 333.5 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).