G4VBA9_SCHMA Loading...

Smp_200230

AlphaFold DB , UniProt , Accession G4VBA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 aa.

						>G4VBA9_SCHMA|G4VBA9
MNNKKYMYHDFYSSQSHRMEYLKSYISVYSQILTCSSRCVRFEKIMQIGNVILAKTLRSKDPTLFRGGGYCWKVHDANSKYQWFHYKAGMLIVYNSRTQVSLFQFRLLILILMSAF
					

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	47.1	Very low	46.6	Very low	238 Å²	238	144.4 Å²	144.4	100%	1.172	67%	0.67	S	S	*	*				0	31.2	0	-146.5	160.8	84.1	0	0	112.6
2	N	50.8	Low	46.9	Very low	112 Å²	112	145.7 Å²	145.7	60%	0.599	67%	0.667	S	S	*	*			trans	-104.1	-24.4	-169	-75.7	1.8	0	0	0	114.9	K4 K5 Y6	N2-K4 VanDerWaalsContact C-N 3.32Å; N2-K4 PolarHBondContact O-N 3.23Å; N2-K5 PolarHBondContact O-N 3.23Å; N2-Y6 HydrophobicContact CB-CE2 4.19Å; N2-Y6 WeakPolarHBondContact O-CD2 3.27Å
3	N	53	Low	47.7	Very low	134 Å²	134	138.9 Å²	138.9	72%	0.717	65%	0.647	S	S	*	*	H	α-helix	trans	-63.7	-30.8	-171.6	-73.6	6.3	0	0	0	114.8	M7	N3-M7 WeakPolarHBondContact O-CG 3.47Å; N3-M7 PolarHBondContact O-N 2.95Å
4	K	40.5	Very low	48.6	Very low	167 Å²	167	132.4 Å²	132.4	73%	0.726	62%	0.624	S	S	*	*	H	α-helix	trans	-70.4	-35.1	-177	-70.1	-174.9	178.9	178.6	0	112.6	N2 Y8	N2-K4 VanDerWaalsContact C-N 3.32Å; N2-K4 PolarHBondContact O-N 3.23Å; K4-Y8 WeakPolarHBondContact O-CD2 3.45Å; K4-Y8 PolarHBondContact O-N 3.27Å
5	K	42.7	Very low	49	Very low	182 Å²	182	125.1 Å²	125.1	79%	0.791	59%	0.59	S	S	*	*	H	α-helix	trans	-68.6	-39.8	-179.6	-104.6	-176.3	174.9	-177.7	0	112	N2 Y8 H9	N2-K5 PolarHBondContact O-N 3.23Å; K5-Y8 PolarHBondContact O-N 3.04Å; K5-H9 PolarHBondContact O-N 2.98Å
6	Y	48.5	Very low	49.6	Very low	153 Å²	153	120.6 Å²	120.6	60%	0.6	58%	0.576	S	S	*	*	H	α-helix	trans	-66.4	-40.9	177.1	-67.9	-74.1	0	0	0	112.2	N2 Y8 H9 D10	N2-Y6 HydrophobicContact CB-CE2 4.19Å; N2-Y6 WeakPolarHBondContact O-CD2 3.27Å; Y6-Y8 VanDerWaalsContact C-N 3.31Å; Y6-Y8 PolarHBondContact O-N 3.36Å; Y6-H9 PolarHBondContact O-N 3.35Å; Y6-H9 VanDerWaalsContact O-N 3.09Å; Y6-D10 PolarHBondContact O-N 3.02Å
7	M	40.9	Very low	50.3	Low	136 Å²	136	121.2 Å²	121.2	67%	0.67	58%	0.577	S	S	*	*	H	α-helix	trans	-59.1	-38.2	177.5	-73	-177.6	99.4	0	0	113.7	N3 F11	N3-M7 WeakPolarHBondContact O-CG 3.47Å; N3-M7 PolarHBondContact O-N 2.95Å; M7-F11 WeakPolarHBondContact O-CB 3.27Å; M7-F11 PolarHBondContact O-N 2.95Å
8	Y	36.2	Very low	50.8	Low	160 Å²	160	122.3 Å²	122.3	63%	0.627	58%	0.575	S	S	*	*	H	α-helix	trans	-69.7	-36.4	177.3	-80.8	-72.9	0	0	0	112.2	K4 K5 Y6 Y12	K4-Y8 WeakPolarHBondContact O-CD2 3.45Å; K4-Y8 PolarHBondContact O-N 3.27Å; K5-Y8 PolarHBondContact O-N 3.04Å; Y6-Y8 VanDerWaalsContact C-N 3.31Å; Y6-Y8 PolarHBondContact O-N 3.36Å; Y8-Y12 PolarHBondContact O-N 3.33Å
9	H	51.4	Low	50.9	Low	140 Å²	140	117.4 Å²	117.4	65%	0.648	55%	0.552	S	S	*	*	H	α-helix	trans	-70.4	-40.7	179.2	-150.1	-64.6	0	0	0	111.7	K5 Y6 Y12 S13	K5-H9 PolarHBondContact O-N 2.98Å; Y6-H9 PolarHBondContact O-N 3.35Å; Y6-H9 VanDerWaalsContact O-N 3.09Å; H9-Y12 PolarHBondContact O-N 3.49Å; H9-S13 WeakPolarHBondContact O-CB 3.4Å; H9-S13 PolarHBondContact O-N 2.88Å; H9-S13 PolarHBondContact O-OG 3.18Å
10	D	55.2	Low	51.3	Low	97 Å²	97	118.2 Å²	118.2	52%	0.519	56%	0.556	S	S	.	*	H	α-helix	trans	-68.9	-36.4	176.5	-66.4	-23.9	0	0	0	112	Y6 S13 S14	Y6-D10 PolarHBondContact O-N 3.02Å; D10-S13 WeakPolarHBondContact CA-OG 3.48Å; D10-S13 PolarHBondContact O-OG 2.91Å; D10-S13 VanDerWaalsContact O-OG 3.06Å; D10-S14 WeakPolarHBondContact O-CB 3.46Å; D10-S14 PolarHBondContact O-N 3.24Å; D10-S14 PolarHBondContact O-OG 3.31Å; D10-S14 VanDerWaalsContact O-OG 3.05Å
11	F	46	Very low	51.7	Low	69 Å²	69	119.4 Å²	119.4	30%	0.303	56%	0.556	S	S	.	*	H	α-helix	trans	-63.6	-49.2	172.7	-173.5	-98.6	0	0	0	110.3	M7 S13 S14 Q15 S37	M7-F11 WeakPolarHBondContact O-CB 3.27Å; M7-F11 PolarHBondContact O-N 2.95Å; F11-S13 PolarHBondContact O-N 3.47Å; F11-S14 PolarHBondContact O-N 2.88Å; F11-S14 PolarHBondContact O-OG 3.45Å; F11-Q15 HydrophobicContact CD1-CG 3.96Å; F11-Q15 HydrophobicContact CE1-CG 3.69Å; F11-Q15 HydrophobicContact CE2-CG 4.42Å; F11-Q15 HydrophobicContact CG-CG 4.45Å; F11-Q15 HydrophobicContact CZ-CG 3.96Å; F11-Q15 VanDerWaalsContact O-CG 3.25Å; F11-Q15 WeakPolarHBondContact O-CG 3.34Å; F11-Q15 PolarHBondContact O-N 3.18Å; F11-S37 WeakPolarHBondContact CE1-O 3.32Å; F11-S37 WeakPolarHBondContact CZ-O 3.29Å
12	Y	50.4	Low	51.8	Low	160 Å²	160	109 Å²	109	63%	0.627	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-43.2	-178.9	-159.6	-92.8	0	0	0	112.5	Y8 H9 Q15 S16	Y8-Y12 PolarHBondContact O-N 3.33Å; H9-Y12 PolarHBondContact O-N 3.49Å; Y12-Q15 PolarHBondContact O-N 2.81Å; Y12-S16 PolarHBondContact O-N 3.44Å; Y12-S16 PolarHBondContact O-OG 2.94Å
13	S	57.6	Low	51.9	Low	58 Å²	58	109.2 Å²	109.2	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-41.2	176.1	64.9	0	0	0	0	112	H9 D10 F11 Q15 S16 H17	H9-S13 WeakPolarHBondContact O-CB 3.4Å; H9-S13 PolarHBondContact O-N 2.88Å; H9-S13 PolarHBondContact O-OG 3.18Å; D10-S13 WeakPolarHBondContact CA-OG 3.48Å; D10-S13 PolarHBondContact O-OG 2.91Å; D10-S13 VanDerWaalsContact O-OG 3.06Å; F11-S13 PolarHBondContact O-N 3.47Å; S13-Q15 VanDerWaalsContact C-N 3.34Å; S13-Q15 PolarHBondContact O-N 2.92Å; S13-S16 PolarHBondContact O-N 2.72Å; S13-H17 PolarHBondContact O-N 3.25Å
14	S	60	Low	52	Low	47 Å²	47	107 Å²	107	33%	0.329	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-35.1	175.6	73.8	0	0	0	0	112.7	D10 F11 R18	D10-S14 WeakPolarHBondContact O-CB 3.46Å; D10-S14 PolarHBondContact O-N 3.24Å; D10-S14 PolarHBondContact O-OG 3.31Å; D10-S14 VanDerWaalsContact O-OG 3.05Å; F11-S14 PolarHBondContact O-N 2.88Å; F11-S14 PolarHBondContact O-OG 3.45Å; S14-R18 WeakPolarHBondContact O-CB 3.39Å; S14-R18 VanDerWaalsContact O-CG 3.27Å; S14-R18 WeakPolarHBondContact O-CG 3.23Å; S14-R18 PolarHBondContact O-N 2.99Å
15	Q	54.7	Low	52.4	Low	24 Å²	24	104.7 Å²	104.7	11%	0.112	48%	0.483	C	S	.	.	H	α-helix	trans	-70.7	-38.2	173.9	-65.7	-58.4	-19.6	0	0	111.3	F11 Y12 S13 R18 M19 V40	F11-Q15 HydrophobicContact CD1-CG 3.96Å; F11-Q15 HydrophobicContact CE1-CG 3.69Å; F11-Q15 HydrophobicContact CE2-CG 4.42Å; F11-Q15 HydrophobicContact CG-CG 4.45Å; F11-Q15 HydrophobicContact CZ-CG 3.96Å; F11-Q15 VanDerWaalsContact O-CG 3.25Å; F11-Q15 WeakPolarHBondContact O-CG 3.34Å; F11-Q15 PolarHBondContact O-N 3.18Å; Y12-Q15 PolarHBondContact O-N 2.81Å; S13-Q15 VanDerWaalsContact C-N 3.34Å; S13-Q15 PolarHBondContact O-N 2.92Å; Q15-R18 PolarHBondContact O-N 2.84Å; Q15-M19 WeakPolarHBondContact O-CB 3.21Å; Q15-M19 PolarHBondContact O-N 2.89Å; Q15-V40 HydrophobicContact CB-CG2 4.45Å; Q15-V40 HydrophobicContact CG-CG2 4.12Å
16	S	59.3	Low	52.6	Low	52 Å²	52	97 Å²	97	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-65.6	-42.3	174.6	-67.1	0	0	0	0	112.5	Y12 S13 M19 E20	Y12-S16 PolarHBondContact O-N 3.44Å; Y12-S16 PolarHBondContact O-OG 2.94Å; S13-S16 PolarHBondContact O-N 2.72Å; S16-M19 VanDerWaalsContact O-CB 3.25Å; S16-M19 WeakPolarHBondContact O-CB 3.47Å; S16-M19 PolarHBondContact O-N 3.42Å; S16-E20 PolarHBondContact O-N 3.2Å
17	H	61.6	Low	52.8	Low	131 Å²	131	94.9 Å²	94.9	61%	0.606	46%	0.459	S	S	*	.	H	α-helix	trans	-65.9	-42.9	174.7	-176.8	-89.1	0	0	0	111.4	S13 M19 E20 Y21	S13-H17 PolarHBondContact O-N 3.25Å; H17-M19 VanDerWaalsContact C-N 3.26Å; H17-M19 PolarHBondContact O-N 3Å; H17-E20 PolarHBondContact O-N 2.97Å; H17-Y21 WeakPolarHBondContact O-CB 3.14Å; H17-Y21 PolarHBondContact O-N 3.49Å
18	R	58.4	Low	53.1	Low	141 Å²	141	92.4 Å²	92.4	53%	0.532	45%	0.451	S	S	.	.	H	α-helix	trans	-62.6	-35	172.4	-77.2	-177.7	-172	-151.7	2.8	112.1	S14 Q15 Y21 L22	S14-R18 WeakPolarHBondContact O-CB 3.39Å; S14-R18 VanDerWaalsContact O-CG 3.27Å; S14-R18 WeakPolarHBondContact O-CG 3.23Å; S14-R18 PolarHBondContact O-N 2.99Å; Q15-R18 PolarHBondContact O-N 2.84Å; R18-Y21 PolarHBondContact O-N 3.25Å; R18-L22 VanDerWaalsContact O-CB 3.24Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 WeakPolarHBondContact O-CD1 3.46Å; R18-L22 WeakPolarHBondContact O-CG 3.4Å; R18-L22 PolarHBondContact O-N 3.5Å
19	M	53.7	Low	53.8	Low	29 Å²	29	95.5 Å²	95.5	14%	0.143	46%	0.463	C	S	.	.	H	α-helix	trans	-62.4	-46.4	176.4	170	75.5	67.8	0	0	110.8	Q15 S16 H17 L22 K23 I32 V40 F42	Q15-M19 WeakPolarHBondContact O-CB 3.21Å; Q15-M19 PolarHBondContact O-N 2.89Å; S16-M19 VanDerWaalsContact O-CB 3.25Å; S16-M19 WeakPolarHBondContact O-CB 3.47Å; S16-M19 PolarHBondContact O-N 3.42Å; H17-M19 VanDerWaalsContact C-N 3.26Å; H17-M19 PolarHBondContact O-N 3Å; M19-L22 PolarHBondContact O-N 3.23Å; M19-K23 WeakPolarHBondContact O-CB 3.2Å; M19-K23 VanDerWaalsContact O-CG 3.31Å; M19-K23 WeakPolarHBondContact O-CG 3.42Å; M19-K23 PolarHBondContact O-N 2.83Å; M19-I32 HydrophobicContact CE-CD1 3.39Å; M19-I32 HydrophobicContact CE-CG1 3.88Å; M19-I32 HydrophobicContact SD-CD1 3.59Å; M19-I32 VanDerWaalsContact SD-CD1 3.59Å; M19-I32 HydrophobicContact SD-CG1 4.06Å; M19-V40 HydrophobicContact CE-CG1 4.43Å; M19-F42 HydrophobicContact CE-CE1 3.47Å; M19-F42 VanDerWaalsContact CE-CE1 3.47Å; M19-F42 HydrophobicContact CE-CZ 3.46Å; M19-F42 VanDerWaalsContact CE-CZ 3.46Å; M19-F42 HydrophobicContact SD-CE1 3.33Å; M19-F42 WeakPolarHBondContact SD-CE1 3.42Å; M19-F42 HydrophobicContact SD-CZ 3.66Å
20	E	58.2	Low	54	Low	134 Å²	134	90.3 Å²	90.3	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-64.7	-44.4	175.3	-73.5	-178.3	170.7	0	0	112.1	S16 H17 L22 K23 S24	S16-E20 PolarHBondContact O-N 3.2Å; H17-E20 PolarHBondContact O-N 2.97Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.04Å; E20-K23 PolarHBondContact O-N 2.85Å; E20-S24 PolarHBondContact O-N 3.29Å; E20-S24 PolarHBondContact O-OG 2.59Å
21	Y	59.3	Low	54.2	Low	143 Å²	143	91.8 Å²	91.8	56%	0.561	45%	0.446	S	S	*	.	H	α-helix	trans	-60.1	-37.7	174.9	-175.3	-92.8	0	0	0	112.6	H17 R18 S24 Y25	H17-Y21 WeakPolarHBondContact O-CB 3.14Å; H17-Y21 PolarHBondContact O-N 3.49Å; R18-Y21 PolarHBondContact O-N 3.25Å; Y21-S24 PolarHBondContact O-OG 3.42Å; Y21-Y25 WeakPolarHBondContact O-CB 3.45Å; Y21-Y25 PolarHBondContact O-N 3.47Å; Y21-Y25 VanDerWaalsContact O-N 3.07Å
22	L	50.4	Low	54.8	Low	21 Å²	21	92.4 Å²	92.4	11%	0.11	45%	0.452	C	S	.	.	H	α-helix	trans	-76.6	-34.6	178.7	-75.7	165.3	0	0	0	112.5	R18 M19 E20 S24 Y25 I26 F42 L57	R18-L22 VanDerWaalsContact O-CB 3.24Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 WeakPolarHBondContact O-CD1 3.46Å; R18-L22 WeakPolarHBondContact O-CG 3.4Å; R18-L22 PolarHBondContact O-N 3.5Å; M19-L22 PolarHBondContact O-N 3.23Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.04Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-Y25 PolarHBondContact O-N 3.08Å; L22-I26 HydrophobicContact CD2-CD1 4.4Å; L22-I26 VanDerWaalsContact O-CB 3.32Å; L22-I26 WeakPolarHBondContact O-CB 3.42Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.11Å; L22-F42 HydrophobicContact CD1-CD2 4.21Å; L22-F42 HydrophobicContact CD1-CE2 3.68Å; L22-F42 HydrophobicContact CD1-CZ 4.13Å; L22-L57 HydrophobicContact CD1-CD2 3.43Å; L22-L57 VanDerWaalsContact CD1-CD2 3.43Å; L22-L57 HydrophobicContact CD2-CD2 3.2Å; L22-L57 HydrophobicContact CG-CD2 3.93Å
23	K	51.6	Low	55.3	Low	116 Å²	116	88.2 Å²	88.2	50%	0.504	44%	0.44	S	S	.	.	H	α-helix	trans	-60.5	-45.4	171.5	-78.9	176	-179.9	-179.3	0	110.8	M19 E20 I26	M19-K23 WeakPolarHBondContact O-CB 3.2Å; M19-K23 VanDerWaalsContact O-CG 3.31Å; M19-K23 WeakPolarHBondContact O-CG 3.42Å; M19-K23 PolarHBondContact O-N 2.83Å; E20-K23 PolarHBondContact O-N 2.85Å; K23-I26 PolarHBondContact O-N 3.06Å
24	S	54.6	Low	55.3	Low	88 Å²	88	89.1 Å²	89.1	62%	0.615	44%	0.443	S	S	*	.	H	α-helix	trans	-67.4	-39.7	179.2	62.5	0	0	0	0	112.3	E20 Y21 L22 I26	E20-S24 PolarHBondContact O-N 3.29Å; E20-S24 PolarHBondContact O-OG 2.59Å; Y21-S24 PolarHBondContact O-OG 3.42Å; L22-S24 VanDerWaalsContact C-N 3.34Å; S24-I26 VanDerWaalsContact C-N 3.29Å; S24-I26 PolarHBondContact O-N 3.11Å
25	Y	50.1	Low	55	Low	117 Å²	117	90.5 Å²	90.5	46%	0.459	45%	0.452	S	S	.	.	H	α-helix	trans	-67.6	-26.5	179.3	-161	-87.5	0	0	0	113.6	Y21 L22	Y21-Y25 WeakPolarHBondContact O-CB 3.45Å; Y21-Y25 PolarHBondContact O-N 3.47Å; Y21-Y25 VanDerWaalsContact O-N 3.07Å; L22-Y25 PolarHBondContact O-N 3.08Å
26	I	47.5	Very low	55.3	Low	20 Å²	20	92 Å²	92	10%	0.103	47%	0.465	C	S	.	.	H	α-helix	trans	-103.7	-7.5	-165.8	-64.6	177.9	0	0	0	114.2	L22 K23 S24 V28 K44	L22-I26 HydrophobicContact CD2-CD1 4.4Å; L22-I26 VanDerWaalsContact O-CB 3.32Å; L22-I26 WeakPolarHBondContact O-CB 3.42Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.11Å; K23-I26 PolarHBondContact O-N 3.06Å; S24-I26 VanDerWaalsContact C-N 3.29Å; S24-I26 PolarHBondContact O-N 3.11Å; I26-V28 PolarHBondContact O-N 3.33Å; I26-K44 HydrophobicContact CG2-CD 3.56Å; I26-K44 HydrophobicContact CG2-CG 4.49Å; I26-K44 PolarHBondContact O-NZ 3.3Å
27	S	51.4	Low	55.3	Low	110 Å²	110	93.1 Å²	93.1	77%	0.769	47%	0.473	S	S	*	.			trans	42.2	22	169	-156.7	0	0	0	0	117.2
28	V	47.7	Very low	55.2	Low	83 Å²	83	94 Å²	94	50%	0.503	47%	0.471	S	S	.	.	S	Bend	trans	-156.8	137.1	-178.7	-176.9	0	0	0	0	107.3	I26 S30 K44	I26-V28 PolarHBondContact O-N 3.33Å; V28-S30 PolarHBondContact O-N 2.9Å; V28-K44 VanDerWaalsContact CG2-NZ 3.28Å
29	Y	51.6	Low	55.2	Low	226 Å²	226	88.9 Å²	88.9	89%	0.886	46%	0.456	S	S	*	.			trans	-35.1	98.5	179.6	-98	-95.9	0	0	0	112.9
30	S	54.9	Low	55.5	Low	30 Å²	30	87.6 Å²	87.6	21%	0.21	45%	0.45	C	S	.	.			trans	-77.8	121.9	173.2	57.2	0	0	0	0	108.9	V28	V28-S30 PolarHBondContact O-N 2.9Å
31	Q	60.4	Low	55.9	Low	128 Å²	128	84.3 Å²	84.3	60%	0.598	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	116.5	166.9	-71.3	-177.2	6.1	0	0	108.3	L33 E43	Q31-L33 PolarHBondContact O-N 2.87Å; Q31-E43 PolarHBondContact N-O 2.84Å; Q31-E43 PolarHBondContact O-N 2.75Å; Q31-E43 VanDerWaalsContact O-N 3.17Å
32	I	57.9	Low	56.1	Low	82 Å²	82	78 Å²	78	42%	0.421	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	106.4	170.3	-58.5	164.8	0	0	0	106	M19 C35 F42	M19-I32 HydrophobicContact CE-CD1 3.39Å; M19-I32 HydrophobicContact CE-CG1 3.88Å; M19-I32 HydrophobicContact SD-CD1 3.59Å; M19-I32 VanDerWaalsContact SD-CD1 3.59Å; M19-I32 HydrophobicContact SD-CG1 4.06Å; I32-C35 HydrophobicContact CG2-CB 4.48Å; I32-F42 HydrophobicContact CG1-CD1 4.27Å; I32-F42 HydrophobicContact CG1-CE1 4.01Å
33	L	59.9	Low	56.9	Low	72 Å²	72	78.6 Å²	78.6	38%	0.377	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-39.1	-179.6	-76.6	174.6	0	0	0	111.9	Q31 R41 E43	Q31-L33 PolarHBondContact O-N 2.87Å; L33-R41 HydrophobicContact CD1-CG 4.41Å; L33-R41 PolarHBondContact N-O 3Å; L33-E43 HydrophobicContact CD1-CB 3.33Å; L33-E43 VanDerWaalsContact CD1-CD 3.49Å; L33-E43 HydrophobicContact CD1-CG 4.06Å; L33-E43 WeakPolarHBondContact CD1-OE2 3.36Å; L33-E43 HydrophobicContact CG-CB 3.86Å
34	T	59.4	Low	57.6	Low	78 Å²	78	74.5 Å²	74.5	48%	0.479	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	128.1	-176.4	35.6	0	0	0	0	110.2	R41	T34-R41 PolarHBondContact O-N 3.26Å; T34-R41 WeakPolarHBondContact OG1-CB 3.29Å
35	C	53.7	Low	58.2	Low	75 Å²	75	74.7 Å²	74.7	51%	0.507	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.8	165.9	-171.5	0	0	0	0	107.4	I32	I32-C35 HydrophobicContact CG2-CB 4.48Å
36	S	59.3	Low	58.9	Low	57 Å²	57	72.5 Å²	72.5	40%	0.399	38%	0.38	S	S	.	.			trans	-132.4	164.5	173.8	63.7	0	0	0	0	108.7	R38 C39	S36-R38 PolarHBondContact O-N 3Å; S36-C39 PolarHBondContact N-O 2.79Å; S36-C39 PolarHBondContact O-N 2.81Å; S36-C39 PolarHBondContact OG-N 2.91Å; S36-C39 PolarHBondContact OG-O 2.91Å
37	S	59.7	Low	59.5	Low	75 Å²	75	78.3 Å²	78.3	52%	0.524	41%	0.406	S	S	.	.	S	Bend	trans	-57.9	-10	175.5	56.7	0	0	0	0	114	F11	F11-S37 WeakPolarHBondContact CE1-O 3.32Å; F11-S37 WeakPolarHBondContact CZ-O 3.29Å
38	R	59.2	Low	60	Low	150 Å²	150	77.6 Å²	77.6	57%	0.566	39%	0.393	S	S	*	.	S	Bend	trans	-120	-29.6	-176.8	-50	-172.5	178.8	173.5	-0.9	113.8	S36 K60 D61	S36-R38 PolarHBondContact O-N 3Å; R38-K60 CarbonylContact O-C 3.28Å; R38-K60 VanDerWaalsContact O-C 3.28Å; R38-D61 HydrophobicContact CB-CB 3.65Å; R38-D61 WeakPolarHBondContact CB-OD2 3.27Å; R38-D61 WeakPolarHBondContact CD-OD2 3.37Å; R38-D61 WeakPolarHBondContact O-CA 3.26Å; R38-D61 WeakPolarHBondContact O-CB 3.41Å; R38-D61 PolarHBondContact O-N 3.43Å
39	C	59.3	Low	61	Low	32 Å²	32	76.4 Å²	76.4	22%	0.216	40%	0.397	C	S	.	.			trans	-141.5	135.4	-174.1	-171.3	0	0	0	0	110.8	S36 D61	S36-C39 PolarHBondContact N-O 2.79Å; S36-C39 PolarHBondContact O-N 2.81Å; S36-C39 PolarHBondContact OG-N 2.91Å; S36-C39 PolarHBondContact OG-O 2.91Å; C39-D61 HydrophobicContact CB-CB 3.96Å
40	V	60.3	Low	61.5	Low	3 Å²	3	71.2 Å²	71.2	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.5	165.4	-170.5	0	0	0	0	107.9	Q15 M19 F42 S59	Q15-V40 HydrophobicContact CB-CG2 4.45Å; Q15-V40 HydrophobicContact CG-CG2 4.12Å; M19-V40 HydrophobicContact CE-CG1 4.43Å; V40-F42 HydrophobicContact CB-CE2 4.16Å; V40-F42 HydrophobicContact CG1-CD2 4.08Å; V40-F42 HydrophobicContact CG1-CE1 4.29Å; V40-F42 HydrophobicContact CG1-CE2 3.31Å; V40-F42 HydrophobicContact CG1-CZ 3.45Å; V40-F42 VanDerWaalsContact CG1-CZ 3.45Å; V40-S59 PolarHBondContact N-O 2.78Å; V40-S59 PolarHBondContact O-N 3.45Å
41	R	66.1	Low	61.4	Low	65 Å²	65	72 Å²	72	25%	0.245	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.4	176.3	-174.5	-177.3	171.9	-177.8	-9.7	109.8	L33 T34 E43 T56 L57 R58	L33-R41 HydrophobicContact CD1-CG 4.41Å; L33-R41 PolarHBondContact N-O 3Å; T34-R41 PolarHBondContact O-N 3.26Å; T34-R41 WeakPolarHBondContact OG1-CB 3.29Å; R41-E43 IonicContact CZ-OE1 3.81Å; R41-E43 IonicContact NH2-OE1 2.83Å; R41-E43 PolarHBondContact NH2-OE1 2.73Å; R41-T56 HydrophobicContact CG-CG2 3.57Å; R41-L57 WeakPolarHBondContact CA-O 3.39Å; R41-R58 HydrophobicContact CG-CG 4.34Å
42	F	64	Low	61.5	Low	11 Å²	11	69.1 Å²	69.1	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.9	168.8	-61	-82.7	0	0	0	109.2	M19 L22 I32 V40 T56 L57	M19-F42 HydrophobicContact CE-CE1 3.47Å; M19-F42 VanDerWaalsContact CE-CE1 3.47Å; M19-F42 HydrophobicContact CE-CZ 3.46Å; M19-F42 VanDerWaalsContact CE-CZ 3.46Å; M19-F42 HydrophobicContact SD-CE1 3.33Å; M19-F42 WeakPolarHBondContact SD-CE1 3.42Å; M19-F42 HydrophobicContact SD-CZ 3.66Å; L22-F42 HydrophobicContact CD1-CD2 4.21Å; L22-F42 HydrophobicContact CD1-CE2 3.68Å; L22-F42 HydrophobicContact CD1-CZ 4.13Å; I32-F42 HydrophobicContact CG1-CD1 4.27Å; I32-F42 HydrophobicContact CG1-CE1 4.01Å; V40-F42 HydrophobicContact CB-CE2 4.16Å; V40-F42 HydrophobicContact CG1-CD2 4.08Å; V40-F42 HydrophobicContact CG1-CE1 4.29Å; V40-F42 HydrophobicContact CG1-CE2 3.31Å; V40-F42 HydrophobicContact CG1-CZ 3.45Å; V40-F42 VanDerWaalsContact CG1-CZ 3.45Å; F42-T56 CarbonylContact O-C 3.55Å; F42-T56 WeakPolarHBondContact O-CA 3.28Å; F42-T56 WeakPolarHBondContact O-CG2 3.44Å; F42-L57 HydrophobicContact CB-CB 4.14Å; F42-L57 HydrophobicContact CD2-CB 4.21Å; F42-L57 HydrophobicContact CD2-CD2 4.17Å; F42-L57 HydrophobicContact CD2-CG 4.21Å; F42-L57 PolarHBondContact N-O 3.35Å; F42-L57 PolarHBondContact O-N 2.93Å
43	E	66.1	Low	61.7	Low	32 Å²	32	65.7 Å²	65.7	15%	0.15	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.4	166.4	-166.7	163.9	-90.1	0	0	109	Q31 L33 R41 I45 A54 K55 T56	Q31-E43 PolarHBondContact N-O 2.84Å; Q31-E43 PolarHBondContact O-N 2.75Å; Q31-E43 VanDerWaalsContact O-N 3.17Å; L33-E43 HydrophobicContact CD1-CB 3.33Å; L33-E43 VanDerWaalsContact CD1-CD 3.49Å; L33-E43 HydrophobicContact CD1-CG 4.06Å; L33-E43 WeakPolarHBondContact CD1-OE2 3.36Å; L33-E43 HydrophobicContact CG-CB 3.86Å; R41-E43 IonicContact CZ-OE1 3.81Å; R41-E43 IonicContact NH2-OE1 2.83Å; R41-E43 PolarHBondContact NH2-OE1 2.73Å; E43-I45 HydrophobicContact CG-CG1 4.17Å; E43-A54 HydrophobicContact CG-CB 4.05Å; E43-K55 CarbonylContact C-O 3.49Å; E43-K55 WeakPolarHBondContact CA-O 3.46Å; E43-T56 PolarHBondContact OE1-OG1 2.76Å
44	K	67.5	Low	61.9	Low	30 Å²	30	62.4 Å²	62.4	13%	0.13	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.9	168	176.5	-176.8	-172.8	162.5	0	106.9	I26 V28 M46 A54 K55	I26-K44 HydrophobicContact CG2-CD 3.56Å; I26-K44 HydrophobicContact CG2-CG 4.49Å; I26-K44 PolarHBondContact O-NZ 3.3Å; V28-K44 VanDerWaalsContact CG2-NZ 3.28Å; K44-M46 HydrophobicContact CD-CG 4.12Å; K44-M46 HydrophobicContact CD-SD 4.04Å; K44-M46 VanDerWaalsContact CE-SD 3.53Å; K44-M46 HydrophobicContact CG-CG 4.04Å; K44-A54 CarbonylContact O-C 3.49Å; K44-A54 VanDerWaalsContact O-CA 3.26Å; K44-A54 WeakPolarHBondContact O-CA 3.2Å; K44-K55 HydrophobicContact CB-CB 4.24Å; K44-K55 PolarHBondContact N-O 2.76Å; K44-K55 PolarHBondContact O-N 2.77Å
45	I	67	Low	62.2	Low	92 Å²	92	59.7 Å²	59.7	47%	0.472	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.7	174.1	-57.2	177.8	0	0	0	107.2	E43 I52 L53	E43-I45 HydrophobicContact CG-CG1 4.17Å; I45-I52 HydrophobicContact CG2-CG2 3.41Å; I45-I52 VanDerWaalsContact CG2-CG2 3.41Å; I45-L53 CarbonylContact C-O 3.55Å; I45-L53 WeakPolarHBondContact CA-O 3.47Å
46	M	65.3	Low	62.7	Low	71 Å²	71	56.2 Å²	56.2	35%	0.35	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.5	173.6	-63.7	175.8	66.1	0	0	107.8	K44 I52 L53	K44-M46 HydrophobicContact CD-CG 4.12Å; K44-M46 HydrophobicContact CD-SD 4.04Å; K44-M46 VanDerWaalsContact CE-SD 3.53Å; K44-M46 HydrophobicContact CG-CG 4.04Å; M46-I52 CarbonylContact O-C 3.45Å; M46-I52 WeakPolarHBondContact O-CA 3.13Å; M46-L53 HydrophobicContact CB-CB 4.31Å; M46-L53 PolarHBondContact N-O 2.75Å; M46-L53 PolarHBondContact O-N 2.84Å; M46-L53 HydrophobicContact SD-CD2 4.32Å
47	Q	59.9	Low	63	Low	143 Å²	143	54.3 Å²	54.3	67%	0.668	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	174.8	-174.7	176.9	-10.9	0	0	109.6	G49 V51 I52	Q47-G49 WeakPolarHBondContact CG-O 3.42Å; Q47-G49 PolarHBondContact NE2-O 3.04Å; Q47-G49 VanDerWaalsContact NE2-O 3.08Å; Q47-V51 CarbonylContact C-O 3.57Å; Q47-V51 WeakPolarHBondContact CA-O 3.22Å; Q47-I52 HydrophobicContact CG-CG1 4.33Å
48	I	61.3	Low	63.2	Low	95 Å²	95	54.2 Å²	54.2	49%	0.487	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	103	175.1	-58.3	175.9	0	0	0	106.8	N50 V51	I48-N50 PolarHBondContact O-N 2.79Å; I48-V51 PolarHBondContact N-O 2.74Å; I48-V51 PolarHBondContact O-N 3.37Å
49	G	68.8	Low	63.3	Low	57 Å²	57	48.2 Å²	48.2	59%	0.588	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	-120.2	-170.3	0	0	0	0	0	111.3	Q47 V51	Q47-G49 WeakPolarHBondContact CG-O 3.42Å; Q47-G49 PolarHBondContact NE2-O 3.04Å; Q47-G49 VanDerWaalsContact NE2-O 3.08Å; G49-V51 VanDerWaalsContact C-N 3.35Å
50	N	62.6	Low	63.2	Low	118 Å²	118	50.9 Å²	50.9	63%	0.631	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	1.3	179.5	-67.4	-11.6	0	0	0	113.8	I48 A77	I48-N50 PolarHBondContact O-N 2.79Å; N50-A77 HydrophobicContact CB-CB 3.92Å; N50-A77 PolarHBondContact O-N 3Å
51	V	51.5	Low	62.6	Low	46 Å²	46	52 Å²	52	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.4	-177.2	-178.7	0	0	0	0	110.1	Q47 I48 G49 V74 H75	Q47-V51 CarbonylContact C-O 3.57Å; Q47-V51 WeakPolarHBondContact CA-O 3.22Å; I48-V51 PolarHBondContact N-O 2.74Å; I48-V51 PolarHBondContact O-N 3.37Å; G49-V51 VanDerWaalsContact C-N 3.35Å; V51-V74 HydrophobicContact CG1-CG1 3.7Å; V51-H75 CarbonylContact C-O 3.53Å; V51-H75 WeakPolarHBondContact CA-O 3.41Å
52	I	62	Low	61.5	Low	67 Å²	67	53.1 Å²	53.1	34%	0.344	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.2	172.4	-57.7	170.9	0	0	0	108.5	I45 M46 Q47 H75	I45-I52 HydrophobicContact CG2-CG2 3.41Å; I45-I52 VanDerWaalsContact CG2-CG2 3.41Å; M46-I52 CarbonylContact O-C 3.45Å; M46-I52 WeakPolarHBondContact O-CA 3.13Å; Q47-I52 HydrophobicContact CG-CG1 4.33Å; I52-H75 HydrophobicContact CB-CB 4.12Å; I52-H75 PolarHBondContact N-O 3.36Å; I52-H75 PolarHBondContact O-N 3.34Å
53	L	62.9	Low	60.5	Low	11 Å²	11	57.1 Å²	57.1	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.8	173	176.9	71.6	0	0	0	109.6	I45 M46 W72 V74 L112	I45-L53 CarbonylContact C-O 3.55Å; I45-L53 WeakPolarHBondContact CA-O 3.47Å; M46-L53 HydrophobicContact CB-CB 4.31Å; M46-L53 PolarHBondContact N-O 2.75Å; M46-L53 PolarHBondContact O-N 2.84Å; M46-L53 HydrophobicContact SD-CD2 4.32Å; L53-W72 HydrophobicContact CD1-CB 4.43Å; L53-W72 HydrophobicContact CD1-CE3 3.99Å; L53-W72 HydrophobicContact CD2-CE3 4.12Å; L53-W72 HydrophobicContact CD2-CZ3 4.01Å; L53-W72 HydrophobicContact CG-CE3 4.2Å; L53-V74 HydrophobicContact CD1-CG2 3.52Å; L53-L112 HydrophobicContact CD1-CD2 4.07Å; L53-L112 HydrophobicContact CD2-CD2 3.7Å
54	A	63.9	Low	59.4	Low	3 Å²	3	62.3 Å²	62.3	3%	0.025	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.2	169.9	0	0	0	0	0	110	E43 K44 W72 K73	E43-A54 HydrophobicContact CG-CB 4.05Å; K44-A54 CarbonylContact O-C 3.49Å; K44-A54 VanDerWaalsContact O-CA 3.26Å; K44-A54 WeakPolarHBondContact O-CA 3.2Å; A54-W72 CarbonylContact O-C 3.53Å; A54-W72 WeakPolarHBondContact O-CA 3.45Å; A54-K73 HydrophobicContact CB-CB 4.22Å; A54-K73 PolarHBondContact N-O 2.86Å; A54-K73 PolarHBondContact O-N 2.88Å
55	K	65.7	Low	58.4	Low	21 Å²	21	67 Å²	67	9%	0.091	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.3	167.5	-173.1	-178.9	-166.6	163.9	0	108.1	E43 K44 W72	E43-K55 CarbonylContact C-O 3.49Å; E43-K55 WeakPolarHBondContact CA-O 3.46Å; K44-K55 HydrophobicContact CB-CB 4.24Å; K44-K55 PolarHBondContact N-O 2.76Å; K44-K55 PolarHBondContact O-N 2.77Å; K55-W72 HydrophobicContact CB-CD2 4.2Å; K55-W72 HydrophobicContact CB-CE3 3.44Å; K55-W72 VanDerWaalsContact CB-CE3 3.44Å; K55-W72 HydrophobicContact CB-CH2 4.32Å; K55-W72 HydrophobicContact CB-CZ3 3.52Å; K55-W72 HydrophobicContact CD-CE3 4.03Å; K55-W72 HydrophobicContact CD-CH2 3.34Å; K55-W72 HydrophobicContact CD-CZ2 3.82Å; K55-W72 HydrophobicContact CD-CZ3 3.43Å; K55-W72 VanDerWaalsContact CD-CZ3 3.43Å; K55-W72 HydrophobicContact CG-CD2 3.87Å; K55-W72 HydrophobicContact CG-CE3 3.51Å; K55-W72 HydrophobicContact CG-CH2 3.78Å; K55-W72 HydrophobicContact CG-CZ2 4.05Å; K55-W72 HydrophobicContact CG-CZ3 3.47Å; K55-W72 VanDerWaalsContact CG-CZ3 3.47Å
56	T	64.7	Low	57.4	Low	2 Å²	2	73.4 Å²	73.4	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.1	174.9	-54.1	0	0	0	0	110.1	R41 F42 E43 R58 C71	R41-T56 HydrophobicContact CG-CG2 3.57Å; F42-T56 CarbonylContact O-C 3.55Å; F42-T56 WeakPolarHBondContact O-CA 3.28Å; F42-T56 WeakPolarHBondContact O-CG2 3.44Å; E43-T56 PolarHBondContact OE1-OG1 2.76Å; T56-R58 HydrophobicContact CG2-CG 4.01Å; T56-C71 CarbonylContact C-O 3.58Å; T56-C71 WeakPolarHBondContact CA-O 3.35Å; T56-C71 WeakPolarHBondContact CB-SG 3.12Å; T56-C71 PolarHBondContact N-O 3.48Å; T56-C71 PolarHBondContact O-N 3.17Å; T56-C71 PolarHBondContact O-SG 3.19Å
57	L	65.4	Low	56.8	Low	17 Å²	17	72 Å²	72	9%	0.089	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.2	168.9	172.7	60.2	0	0	0	109.1	L22 R41 F42 Y70	L22-L57 HydrophobicContact CD1-CD2 3.43Å; L22-L57 VanDerWaalsContact CD1-CD2 3.43Å; L22-L57 HydrophobicContact CD2-CD2 3.2Å; L22-L57 HydrophobicContact CG-CD2 3.93Å; R41-L57 WeakPolarHBondContact CA-O 3.39Å; F42-L57 HydrophobicContact CB-CB 4.14Å; F42-L57 HydrophobicContact CD2-CB 4.21Å; F42-L57 HydrophobicContact CD2-CD2 4.17Å; F42-L57 HydrophobicContact CD2-CG 4.21Å; F42-L57 PolarHBondContact N-O 3.35Å; F42-L57 PolarHBondContact O-N 2.93Å; L57-Y70 HydrophobicContact CB-CD1 4.17Å; L57-Y70 HydrophobicContact CB-CE1 4.28Å; L57-Y70 HydrophobicContact CD1-CD1 3.59Å; L57-Y70 HydrophobicContact CD1-CD2 4.39Å; L57-Y70 HydrophobicContact CD1-CE1 3.47Å; L57-Y70 VanDerWaalsContact CD1-CE1 3.47Å; L57-Y70 HydrophobicContact CD1-CE2 4.27Å; L57-Y70 HydrophobicContact CD1-CG 4.05Å; L57-Y70 HydrophobicContact CD2-CE1 3.88Å; L57-Y70 HydrophobicContact CG-CD1 4.3Å; L57-Y70 HydrophobicContact CG-CE1 4.07Å
58	R	63	Low	56.6	Low	72 Å²	72	66.1 Å²	66.1	27%	0.272	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.6	175.4	-66.2	-176.9	-180	179.9	-1.9	110.1	R41 T56 G68 G69	R41-R58 HydrophobicContact CG-CG 4.34Å; T56-R58 HydrophobicContact CG2-CG 4.01Å; R58-G68 WeakPolarHBondContact O-CA 3.46Å; R58-G69 PolarHBondContact N-O 3.3Å; R58-G69 PolarHBondContact O-N 2.81Å
59	S	62.4	Low	56.7	Low	24 Å²	24	62.7 Å²	62.7	17%	0.168	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.6	165.5	-164.6	0	0	0	0	107.9	V40	V40-S59 PolarHBondContact N-O 2.78Å; V40-S59 PolarHBondContact O-N 3.45Å
60	K	57.8	Low	56.2	Low	89 Å²	89	63.6 Å²	63.6	39%	0.387	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-61.2	124.3	-158.7	-165	-174.1	-178.2	168.4	0	115.1	R38 R66 G67	R38-K60 CarbonylContact O-C 3.28Å; R38-K60 VanDerWaalsContact O-C 3.28Å; K60-R66 VanDerWaalsContact CE-CA 3.46Å; K60-G67 VanDerWaalsContact CD-C 3.47Å
61	D	47.4	Very low	56	Low	26 Å²	26	58.7 Å²	58.7	14%	0.139	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-80.6	126.5	139.8	-177.9	-27.9	0	0	0	106.9	R38 C39 T63	R38-D61 HydrophobicContact CB-CB 3.65Å; R38-D61 WeakPolarHBondContact CB-OD2 3.27Å; R38-D61 WeakPolarHBondContact CD-OD2 3.37Å; R38-D61 WeakPolarHBondContact O-CA 3.26Å; R38-D61 WeakPolarHBondContact O-CB 3.41Å; R38-D61 PolarHBondContact O-N 3.43Å; C39-D61 HydrophobicContact CB-CB 3.96Å; D61-T63 PolarHBondContact O-N 3Å; D61-T63 WeakPolarHBondContact OD1-CB 3.32Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.41Å; D61-T63 PolarHBondContact OD1-N 2.96Å; D61-T63 PolarHBondContact OD1-OG1 3.18Å; D61-T63 PolarHBondContact OD2-OG1 2.83Å
62	P	43.1	Very low	56.3	Low	88 Å²	88	57.1 Å²	57.1	57%	0.571	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-8.2	-177.5	23.9	-33.7	0	0	0	116.1
63	T	41.7	Very low	56.3	Low	96 Å²	96	55.8 Å²	55.8	59%	0.589	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-28	-166.7	55.6	0	0	0	0	116.7	D61	D61-T63 PolarHBondContact O-N 3Å; D61-T63 WeakPolarHBondContact OD1-CB 3.32Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.41Å; D61-T63 PolarHBondContact OD1-N 2.96Å; D61-T63 PolarHBondContact OD1-OG1 3.18Å; D61-T63 PolarHBondContact OD2-OG1 2.83Å
64	L	43.8	Very low	55.8	Low	141 Å²	141	55.8 Å²	55.8	74%	0.738	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-26.3	-172.3	-82.4	154	0	0	0	115
65	F	45.5	Very low	55.5	Low	129 Å²	129	57.9 Å²	57.9	57%	0.566	30%	0.297	S	S	*	.	S	Bend	trans	-145.9	113.5	169.2	-68.1	-87.6	0	0	0	107.7	G67	F65-G67 PolarHBondContact O-N 2.96Å
66	R	47.7	Very low	54.8	Low	226 Å²	226	59.6 Å²	59.6	85%	0.853	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	66.7	179.4	-73.3	-172.1	179	-168.7	2.3	111.5	K60	K60-R66 VanDerWaalsContact CE-CA 3.46Å
67	G	52.5	Low	54.1	Low	40 Å²	40	62.6 Å²	62.6	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-167	-35.9	170.2	0	0	0	0	0	116.8	K60 F65	K60-G67 VanDerWaalsContact CD-C 3.47Å; F65-G67 PolarHBondContact O-N 2.96Å
68	G	56	Low	53.6	Low	21 Å²	21	67.2 Å²	67.2	22%	0.216	36%	0.357	C	S	.	.			trans	61.5	174	-155	0	0	0	0	0	110.6	R58	R58-G68 WeakPolarHBondContact O-CA 3.46Å
69	G	62.7	Low	53	Low	22 Å²	22	68 Å²	68	23%	0.227	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.2	-172.8	175.7	0	0	0	0	0	114.1	R58	R58-G69 PolarHBondContact N-O 3.3Å; R58-G69 PolarHBondContact O-N 2.81Å
70	Y	57.4	Low	52.6	Low	77 Å²	77	71.5 Å²	71.5	30%	0.302	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.1	177.3	-59.3	-89.8	0	0	0	109	L57 Y86	L57-Y70 HydrophobicContact CB-CD1 4.17Å; L57-Y70 HydrophobicContact CB-CE1 4.28Å; L57-Y70 HydrophobicContact CD1-CD1 3.59Å; L57-Y70 HydrophobicContact CD1-CD2 4.39Å; L57-Y70 HydrophobicContact CD1-CE1 3.47Å; L57-Y70 VanDerWaalsContact CD1-CE1 3.47Å; L57-Y70 HydrophobicContact CD1-CE2 4.27Å; L57-Y70 HydrophobicContact CD1-CG 4.05Å; L57-Y70 HydrophobicContact CD2-CE1 3.88Å; L57-Y70 HydrophobicContact CG-CD1 4.3Å; L57-Y70 HydrophobicContact CG-CE1 4.07Å; Y70-Y86 PolarHBondContact O-N 3.21Å
71	C	59.5	Low	52.3	Low	15 Å²	15	72.4 Å²	72.4	10%	0.101	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	148.6	163.2	48.1	0	0	0	0	109.9	T56 F84	T56-C71 CarbonylContact C-O 3.58Å; T56-C71 WeakPolarHBondContact CA-O 3.35Å; T56-C71 WeakPolarHBondContact CB-SG 3.12Å; T56-C71 PolarHBondContact N-O 3.48Å; T56-C71 PolarHBondContact O-N 3.17Å; T56-C71 PolarHBondContact O-SG 3.19Å; C71-F84 CarbonylContact C-O 3.57Å; C71-F84 WeakPolarHBondContact CA-O 3.35Å
72	W	58.2	Low	52.7	Low	13 Å²	13	71.8 Å²	71.8	5%	0.049	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.6	171.9	-46.5	76.9	0	0	0	107.8	L53 A54 K55 F84 L112 F116	L53-W72 HydrophobicContact CD1-CB 4.43Å; L53-W72 HydrophobicContact CD1-CE3 3.99Å; L53-W72 HydrophobicContact CD2-CE3 4.12Å; L53-W72 HydrophobicContact CD2-CZ3 4.01Å; L53-W72 HydrophobicContact CG-CE3 4.2Å; A54-W72 CarbonylContact O-C 3.53Å; A54-W72 WeakPolarHBondContact O-CA 3.45Å; K55-W72 HydrophobicContact CB-CD2 4.2Å; K55-W72 HydrophobicContact CB-CE3 3.44Å; K55-W72 VanDerWaalsContact CB-CE3 3.44Å; K55-W72 HydrophobicContact CB-CH2 4.32Å; K55-W72 HydrophobicContact CB-CZ3 3.52Å; K55-W72 HydrophobicContact CD-CE3 4.03Å; K55-W72 HydrophobicContact CD-CH2 3.34Å; K55-W72 HydrophobicContact CD-CZ2 3.82Å; K55-W72 HydrophobicContact CD-CZ3 3.43Å; K55-W72 VanDerWaalsContact CD-CZ3 3.43Å; K55-W72 HydrophobicContact CG-CD2 3.87Å; K55-W72 HydrophobicContact CG-CE3 3.51Å; K55-W72 HydrophobicContact CG-CH2 3.78Å; K55-W72 HydrophobicContact CG-CZ2 4.05Å; K55-W72 HydrophobicContact CG-CZ3 3.47Å; K55-W72 VanDerWaalsContact CG-CZ3 3.47Å; W72-F84 HydrophobicContact CB-CB 4.08Å; W72-F84 PolarHBondContact N-O 3.21Å; W72-F84 PolarHBondContact O-N 2.95Å; W72-F84 VanDerWaalsContact O-O 3.13Å; W72-L112 HydrophobicContact CD2-CD2 3.91Å; W72-L112 HydrophobicContact CE3-CD2 3.48Å; W72-L112 VanDerWaalsContact CE3-CD2 3.48Å; W72-L112 HydrophobicContact CH2-CD2 3.73Å; W72-L112 HydrophobicContact CZ2-CD2 4.2Å; W72-L112 HydrophobicContact CZ3-CD2 3.38Å; W72-F116 HydrophobicContact CH2-CE2 4.46Å; W72-F116 AromaticContact CZ2-CE2 3.77Å; W72-F116 HydrophobicContact CZ2-CE2 3.77Å; W72-F116 AromaticContact CZ2-CZ 3.78Å; W72-F116 HydrophobicContact CZ2-CZ 3.78Å
73	K	60.3	Low	53.3	Low	39 Å²	39	72.6 Å²	72.6	17%	0.17	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.4	174.7	-172.9	-175.8	-176.1	-175.5	0	106.9	A54 H75 W83	A54-K73 HydrophobicContact CB-CB 4.22Å; A54-K73 PolarHBondContact N-O 2.86Å; A54-K73 PolarHBondContact O-N 2.88Å; K73-H75 WeakPolarHBondContact CD-NE2 3.46Å; K73-H75 WeakPolarHBondContact CE-CE1 3.33Å; K73-H75 WeakPolarHBondContact CE-NE2 3.49Å; K73-H75 WeakPolarHBondContact CG-NE2 3.24Å; K73-H75 PolarHBondContact NZ-CE1 3.36Å; K73-W83 HydrophobicContact CB-CE3 3.91Å; K73-W83 HydrophobicContact CB-CZ3 3.99Å; K73-W83 HydrophobicContact CD-CD2 4.37Å; K73-W83 HydrophobicContact CD-CE3 3.98Å; K73-W83 HydrophobicContact CD-CH2 3.36Å; K73-W83 HydrophobicContact CD-CZ2 3.76Å; K73-W83 HydrophobicContact CD-CZ3 3.46Å; K73-W83 VanDerWaalsContact CD-CZ3 3.46Å; K73-W83 HydrophobicContact CG-CD2 4.04Å; K73-W83 HydrophobicContact CG-CE3 3.76Å; K73-W83 HydrophobicContact CG-CH2 4.08Å; K73-W83 HydrophobicContact CG-CZ2 4.29Å; K73-W83 HydrophobicContact CG-CZ3 3.79Å
74	V	53	Low	54.1	Low	11 Å²	11	68.1 Å²	68.1	7%	0.067	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.8	178.5	-179.1	0	0	0	0	107.3	V51 L53 Q82 F84 L108	V51-V74 HydrophobicContact CG1-CG1 3.7Å; L53-V74 HydrophobicContact CD1-CG2 3.52Å; V74-Q82 PolarHBondContact N-O 2.91Å; V74-Q82 PolarHBondContact O-N 3.01Å; V74-F84 HydrophobicContact CB-CE2 4.01Å; V74-F84 HydrophobicContact CG2-CD2 3.86Å; V74-F84 HydrophobicContact CG2-CE2 3.46Å; V74-F84 VanDerWaalsContact CG2-CE2 3.46Å; V74-F84 HydrophobicContact CG2-CZ 4.44Å; V74-L108 HydrophobicContact CB-CD2 4.42Å; V74-L108 HydrophobicContact CG1-CD2 4.05Å; V74-L108 HydrophobicContact CG2-CD2 3.76Å
75	H	57.4	Low	54.6	Low	46 Å²	46	64 Å²	64	21%	0.213	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125	174.8	-58.7	-110.2	0	0	0	107.6	V51 I52 K73 Y81	V51-H75 CarbonylContact C-O 3.53Å; V51-H75 WeakPolarHBondContact CA-O 3.41Å; I52-H75 HydrophobicContact CB-CB 4.12Å; I52-H75 PolarHBondContact N-O 3.36Å; I52-H75 PolarHBondContact O-N 3.34Å; K73-H75 WeakPolarHBondContact CD-NE2 3.46Å; K73-H75 WeakPolarHBondContact CE-CE1 3.33Å; K73-H75 WeakPolarHBondContact CE-NE2 3.49Å; K73-H75 WeakPolarHBondContact CG-NE2 3.24Å; K73-H75 PolarHBondContact NZ-CE1 3.36Å; H75-Y81 AromaticContact CE1-CD1 3.64Å; H75-Y81 AromaticContact CE1-CE1 3.46Å; H75-Y81 VanDerWaalsContact CE1-CE1 3.46Å; H75-Y81 WeakPolarHBondContact CE1-CE1 3.15Å; H75-Y81 AromaticContact ND1-CD1 3.41Å; H75-Y81 WeakPolarHBondContact ND1-CD1 3.41Å; H75-Y81 AromaticContact ND1-CE1 3.28Å; H75-Y81 VanDerWaalsContact ND1-CE1 3.28Å; H75-Y81 WeakPolarHBondContact ND1-CE1 3.36Å
76	D	51.7	Low	55	Low	57 Å²	57	61.3 Å²	61.3	31%	0.305	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	156.3	161.2	-178.6	28.5	0	0	0	109.1	N78 S79	D76-N78 PolarHBondContact O-N 3.27Å; D76-N78 PolarHBondContact OD2-ND2 3.07Å; D76-S79 PolarHBondContact O-N 2.89Å
77	A	50.3	Low	55.1	Low	65 Å²	65	56.1 Å²	56.1	54%	0.537	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.6	174.5	0	0	0	0	0	112.5	N50 S79	N50-A77 HydrophobicContact CB-CB 3.92Å; N50-A77 PolarHBondContact O-N 3Å; A77-S79 PolarHBondContact O-N 2.71Å
78	N	54.6	Low	54.9	Low	115 Å²	115	59 Å²	59	62%	0.615	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	16.8	174.9	-62.4	-52.2	0	0	0	114.8	D76 K80	D76-N78 PolarHBondContact O-N 3.27Å; D76-N78 PolarHBondContact OD2-ND2 3.07Å; N78-K80 PolarHBondContact O-N 3.39Å; N78-K80 VanDerWaalsContact O-N 3.11Å
79	S	50.7	Low	54.4	Low	87 Å²	87	60.7 Å²	60.7	61%	0.608	33%	0.332	S	S	*	.			trans	63.1	14.1	172.9	-58.7	0	0	0	0	116.6	D76 A77	D76-S79 PolarHBondContact O-N 2.89Å; A77-S79 PolarHBondContact O-N 2.71Å
80	K	53.4	Low	53.3	Low	99 Å²	99	65.5 Å²	65.5	43%	0.43	35%	0.35	S	S	.	.			trans	-88.4	116.4	178.4	-71.9	161.7	178.1	-165.9	0	110.2	N78 T98	N78-K80 PolarHBondContact O-N 3.39Å; N78-K80 VanDerWaalsContact O-N 3.11Å; K80-T98 HydrophobicContact CD-CG2 4.07Å; K80-T98 VanDerWaalsContact CD-OG1 3.23Å; K80-T98 WeakPolarHBondContact CD-OG1 3.49Å; K80-T98 VanDerWaalsContact NZ-CG2 3.35Å
81	Y	52.2	Low	52.8	Low	107 Å²	107	64.3 Å²	64.3	42%	0.42	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.9	-177.5	-53.9	-75.8	0	0	0	110.9	H75 S96	H75-Y81 AromaticContact CE1-CD1 3.64Å; H75-Y81 AromaticContact CE1-CE1 3.46Å; H75-Y81 VanDerWaalsContact CE1-CE1 3.46Å; H75-Y81 WeakPolarHBondContact CE1-CE1 3.15Å; H75-Y81 AromaticContact ND1-CD1 3.41Å; H75-Y81 WeakPolarHBondContact ND1-CD1 3.41Å; H75-Y81 AromaticContact ND1-CE1 3.28Å; H75-Y81 VanDerWaalsContact ND1-CE1 3.28Å; H75-Y81 WeakPolarHBondContact ND1-CE1 3.36Å; Y81-S96 PolarHBondContact N-OG 2.69Å; Y81-S96 VanDerWaalsContact O-CB 3.25Å; Y81-S96 WeakPolarHBondContact O-CB 3.25Å; Y81-S96 PolarHBondContact O-OG 3.34Å
82	Q	54.1	Low	52.1	Low	14 Å²	14	66.4 Å²	66.4	7%	0.065	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.6	161.2	-73.1	-173.4	-20.7	0	0	109.1	V74 F84 N95	V74-Q82 PolarHBondContact N-O 2.91Å; V74-Q82 PolarHBondContact O-N 3.01Å; Q82-F84 HydrophobicContact CB-CE2 3.7Å; Q82-F84 HydrophobicContact CB-CZ 4.18Å; Q82-N95 PolarHBondContact NE2-OD1 2.98Å
83	W	56.7	Low	51.7	Low	105 Å²	105	68.4 Å²	68.4	40%	0.398	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.6	178.5	-60.7	88.2	0	0	0	109	K73 Y94	K73-W83 HydrophobicContact CB-CE3 3.91Å; K73-W83 HydrophobicContact CB-CZ3 3.99Å; K73-W83 HydrophobicContact CD-CD2 4.37Å; K73-W83 HydrophobicContact CD-CE3 3.98Å; K73-W83 HydrophobicContact CD-CH2 3.36Å; K73-W83 HydrophobicContact CD-CZ2 3.76Å; K73-W83 HydrophobicContact CD-CZ3 3.46Å; K73-W83 VanDerWaalsContact CD-CZ3 3.46Å; K73-W83 HydrophobicContact CG-CD2 4.04Å; K73-W83 HydrophobicContact CG-CE3 3.76Å; K73-W83 HydrophobicContact CG-CH2 4.08Å; K73-W83 HydrophobicContact CG-CZ2 4.29Å; K73-W83 HydrophobicContact CG-CZ3 3.79Å; W83-Y94 HydrophobicContact CB-CD2 4.25Å; W83-Y94 PolarHBondContact N-O 2.99Å; W83-Y94 PolarHBondContact O-N 2.97Å
84	F	59.1	Low	51.2	Low	2 Å²	2	72.9 Å²	72.9	1%	0.009	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.5	174.8	-57	-101.2	0	0	0	107.7	C71 W72 V74 Q82 L91 I92 V93 F105 L108	C71-F84 CarbonylContact C-O 3.57Å; C71-F84 WeakPolarHBondContact CA-O 3.35Å; W72-F84 HydrophobicContact CB-CB 4.08Å; W72-F84 PolarHBondContact N-O 3.21Å; W72-F84 PolarHBondContact O-N 2.95Å; W72-F84 VanDerWaalsContact O-O 3.13Å; V74-F84 HydrophobicContact CB-CE2 4.01Å; V74-F84 HydrophobicContact CG2-CD2 3.86Å; V74-F84 HydrophobicContact CG2-CE2 3.46Å; V74-F84 VanDerWaalsContact CG2-CE2 3.46Å; V74-F84 HydrophobicContact CG2-CZ 4.44Å; Q82-F84 HydrophobicContact CB-CE2 3.7Å; Q82-F84 HydrophobicContact CB-CZ 4.18Å; F84-L91 HydrophobicContact CB-CD1 4Å; F84-L91 HydrophobicContact CD1-CD1 4.04Å; F84-L91 HydrophobicContact CD1-CD2 4.33Å; F84-L91 HydrophobicContact CD1-CG 4.32Å; F84-I92 CarbonylContact C-O 3.56Å; F84-I92 VanDerWaalsContact CA-O 3.32Å; F84-I92 WeakPolarHBondContact CA-O 3.12Å; F84-V93 HydrophobicContact CD1-CB 4.33Å; F84-V93 HydrophobicContact CD1-CG1 4.16Å; F84-V93 HydrophobicContact CD1-CG2 3.78Å; F84-V93 HydrophobicContact CE1-CB 4.37Å; F84-V93 HydrophobicContact CE1-CG1 3.79Å; F84-V93 HydrophobicContact CE1-CG2 3.89Å; F84-V93 HydrophobicContact CZ-CG1 4.31Å; F84-F105 HydrophobicContact CE1-CD2 4.3Å; F84-F105 AromaticContact CE1-CE2 3.28Å; F84-F105 HydrophobicContact CE1-CE2 3.28Å; F84-F105 AromaticContact CE1-CZ 3.56Å; F84-F105 HydrophobicContact CE1-CZ 3.56Å; F84-F105 HydrophobicContact CZ-CD2 4.1Å; F84-F105 AromaticContact CZ-CE2 3.39Å; F84-F105 HydrophobicContact CZ-CE2 3.39Å; F84-F105 HydrophobicContact CZ-CZ 4.16Å; F84-L108 HydrophobicContact CE2-CD2 4.36Å; F84-L108 HydrophobicContact CZ-CD2 4.12Å
85	H	54	Low	51	Low	53 Å²	53	76.9 Å²	76.9	25%	0.245	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.6	173.7	-172.1	-104.3	0	0	0	108.3	I92 Y94	H85-I92 HydrophobicContact CB-CB 4.43Å; H85-I92 PolarHBondContact N-O 3.45Å; H85-I92 PolarHBondContact O-N 2.84Å; H85-Y94 HydrophobicContact CB-CE2 4.37Å
86	Y	52.8	Low	50.5	Low	73 Å²	73	76.8 Å²	76.8	29%	0.286	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.7	176.7	-172.5	-102.5	0	0	0	109.6	Y70 G89 M90 L91	Y70-Y86 PolarHBondContact O-N 3.21Å; Y86-G89 VanDerWaalsContact OH-CA 3.29Å; Y86-G89 WeakPolarHBondContact OH-CA 3.27Å; Y86-M90 WeakPolarHBondContact CA-O 3.33Å; Y86-L91 HydrophobicContact CD2-CB 4.41Å; Y86-L91 HydrophobicContact CD2-CD1 4.49Å
87	K	50.6	Low	50.3	Low	117 Å²	117	86 Å²	86	51%	0.509	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.7	173.9	-174.4	-177.6	177.7	-173.8	0	108.7	G89 M90	K87-G89 PolarHBondContact O-N 2.76Å; K87-M90 PolarHBondContact N-O 3.46Å; K87-M90 VanDerWaalsContact O-CB 3.29Å; K87-M90 WeakPolarHBondContact O-CB 3.34Å; K87-M90 PolarHBondContact O-N 3.21Å
88	A	47.5	Very low	50.1	Low	102 Å²	102	84.9 Å²	84.9	84%	0.843	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	54.2	168.8	0	0	0	0	0	114.6	M90	A88-M90 PolarHBondContact O-N 3.39Å
89	G	47	Very low	49.4	Very low	55 Å²	55	89 Å²	89	57%	0.567	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-13	-178.8	0	0	0	0	0	114.8	Y86 K87	Y86-G89 VanDerWaalsContact OH-CA 3.29Å; Y86-G89 WeakPolarHBondContact OH-CA 3.27Å; K87-G89 PolarHBondContact O-N 2.76Å
90	M	38.1	Very low	49.4	Very low	123 Å²	123	87.4 Å²	87.4	61%	0.606	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.2	-177.8	-166.3	177.8	-78.7	0	0	110.8	Y86 K87 A88 I92	Y86-M90 WeakPolarHBondContact CA-O 3.33Å; K87-M90 PolarHBondContact N-O 3.46Å; K87-M90 VanDerWaalsContact O-CB 3.29Å; K87-M90 WeakPolarHBondContact O-CB 3.34Å; K87-M90 PolarHBondContact O-N 3.21Å; A88-M90 PolarHBondContact O-N 3.39Å; M90-I92 HydrophobicContact CG-CG1 4.07Å; M90-I92 HydrophobicContact SD-CD1 4.32Å; M90-I92 HydrophobicContact SD-CG1 4.22Å
91	L	46.8	Very low	49.3	Very low	52 Å²	52	85.4 Å²	85.4	27%	0.272	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	107.7	168.8	-175.2	72.1	0	0	0	108.9	F84 Y86 V93 I109	F84-L91 HydrophobicContact CB-CD1 4Å; F84-L91 HydrophobicContact CD1-CD1 4.04Å; F84-L91 HydrophobicContact CD1-CD2 4.33Å; F84-L91 HydrophobicContact CD1-CG 4.32Å; Y86-L91 HydrophobicContact CD2-CB 4.41Å; Y86-L91 HydrophobicContact CD2-CD1 4.49Å; L91-V93 HydrophobicContact CD2-CG2 4.14Å; L91-V93 HydrophobicContact CG-CG2 4.08Å; L91-I109 HydrophobicContact CD2-CD1 4.11Å; L91-I109 HydrophobicContact CD2-CG1 4.1Å
92	I	46.2	Very low	49.2	Very low	59 Å²	59	86 Å²	86	30%	0.303	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.3	172.6	-55.1	176	0	0	0	108.1	F84 H85 M90 Y94	F84-I92 CarbonylContact C-O 3.56Å; F84-I92 VanDerWaalsContact CA-O 3.32Å; F84-I92 WeakPolarHBondContact CA-O 3.12Å; H85-I92 HydrophobicContact CB-CB 4.43Å; H85-I92 PolarHBondContact N-O 3.45Å; H85-I92 PolarHBondContact O-N 2.84Å; M90-I92 HydrophobicContact CG-CG1 4.07Å; M90-I92 HydrophobicContact SD-CD1 4.32Å; M90-I92 HydrophobicContact SD-CG1 4.22Å; I92-Y94 HydrophobicContact CB-CE2 4.28Å; I92-Y94 HydrophobicContact CG2-CD2 4.22Å; I92-Y94 HydrophobicContact CG2-CE1 4.32Å; I92-Y94 HydrophobicContact CG2-CE2 3.54Å
93	V	49.4	Very low	49	Very low	55 Å²	55	93 Å²	93	33%	0.333	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.6	-176.3	-176.8	0	0	0	0	108.1	F84 L91 F105	F84-V93 HydrophobicContact CD1-CB 4.33Å; F84-V93 HydrophobicContact CD1-CG1 4.16Å; F84-V93 HydrophobicContact CD1-CG2 3.78Å; F84-V93 HydrophobicContact CE1-CB 4.37Å; F84-V93 HydrophobicContact CE1-CG1 3.79Å; F84-V93 HydrophobicContact CE1-CG2 3.89Å; F84-V93 HydrophobicContact CZ-CG1 4.31Å; L91-V93 HydrophobicContact CD2-CG2 4.14Å; L91-V93 HydrophobicContact CG-CG2 4.08Å; V93-F105 HydrophobicContact CB-CZ 4.09Å; V93-F105 HydrophobicContact CG1-CE2 3.55Å; V93-F105 HydrophobicContact CG1-CZ 3.47Å; V93-F105 VanDerWaalsContact CG1-CZ 3.47Å; V93-F105 HydrophobicContact CG2-CE1 4.49Å; V93-F105 HydrophobicContact CG2-CE2 4.42Å; V93-F105 HydrophobicContact CG2-CZ 3.6Å
94	Y	48.9	Very low	48.9	Very low	134 Å²	134	94 Å²	94	53%	0.525	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.7	171.5	-60	-89	0	0	0	108.7	W83 H85 I92	W83-Y94 HydrophobicContact CB-CD2 4.25Å; W83-Y94 PolarHBondContact N-O 2.99Å; W83-Y94 PolarHBondContact O-N 2.97Å; H85-Y94 HydrophobicContact CB-CE2 4.37Å; I92-Y94 HydrophobicContact CB-CE2 4.28Å; I92-Y94 HydrophobicContact CG2-CD2 4.22Å; I92-Y94 HydrophobicContact CG2-CE1 4.32Å; I92-Y94 HydrophobicContact CG2-CE2 3.54Å
95	N	49.9	Very low	48.8	Very low	94 Å²	94	95.9 Å²	95.9	50%	0.503	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.9	177.6	-168.8	2.1	0	0	0	110.9	Q82 R97 T98	Q82-N95 PolarHBondContact NE2-OD1 2.98Å; N95-R97 VanDerWaalsContact C-N 3.34Å; N95-R97 PolarHBondContact O-N 3.33Å; N95-R97 VanDerWaalsContact O-N 3.11Å; N95-T98 PolarHBondContact OD1-O 3.05Å
96	S	47.4	Very low	49	Very low	45 Å²	45	100.9 Å²	100.9	32%	0.315	51%	0.506	S	S	.	.			trans	-81.7	78.8	168.8	62.2	0	0	0	0	110.6	Y81 T98	Y81-S96 PolarHBondContact N-OG 2.69Å; Y81-S96 VanDerWaalsContact O-CB 3.25Å; Y81-S96 WeakPolarHBondContact O-CB 3.25Å; Y81-S96 PolarHBondContact O-OG 3.34Å; S96-T98 PolarHBondContact O-N 3.02Å; S96-T98 PolarHBondContact O-OG1 2.98Å
97	R	45.9	Very low	49.5	Very low	250 Å²	250	101.7 Å²	101.7	94%	0.943	52%	0.515	S	S	*	.	S	Bend	trans	45	21.2	160.1	-78.3	-169.5	178.3	-173.1	0.3	118.9	N95	N95-R97 VanDerWaalsContact C-N 3.34Å; N95-R97 PolarHBondContact O-N 3.33Å; N95-R97 VanDerWaalsContact O-N 3.11Å
98	T	45.8	Very low	50	Low	42 Å²	42	97.4 Å²	97.4	26%	0.258	50%	0.497	S	S	.	.	S	Bend	trans	-140.6	138.9	-177.1	43	0	0	0	0	111.7	K80 N95 S96 V100	K80-T98 HydrophobicContact CD-CG2 4.07Å; K80-T98 VanDerWaalsContact CD-OG1 3.23Å; K80-T98 WeakPolarHBondContact CD-OG1 3.49Å; K80-T98 VanDerWaalsContact NZ-CG2 3.35Å; N95-T98 PolarHBondContact OD1-O 3.05Å; S96-T98 PolarHBondContact O-N 3.02Å; S96-T98 PolarHBondContact O-OG1 2.98Å; T98-V100 PolarHBondContact O-N 2.92Å
99	Q	41.4	Very low	50.7	Low	200 Å²	200	94.6 Å²	94.6	94%	0.935	47%	0.468	S	S	*	.			trans	-64.2	95	-177.7	-73.8	179.9	-16.7	0	0	109.9
100	V	49.2	Very low	51.4	Low	55 Å²	55	97.4 Å²	97.4	33%	0.333	47%	0.469	S	S	.	.			trans	-78.4	128.7	156.2	175.3	0	0	0	0	106	T98 L102 Q104 F105	T98-V100 PolarHBondContact O-N 2.92Å; V100-L102 PolarHBondContact O-N 2.98Å; V100-Q104 HydrophobicContact CG1-CB 4.38Å; V100-F105 HydrophobicContact CG1-CB 4.28Å
101	S	51.4	Low	52.6	Low	57 Å²	57	94.8 Å²	94.8	40%	0.399	46%	0.457	S	S	.	.			trans	-57.3	130.4	178.9	86.5	0	0	0	0	108.4	F103 Q104 F105	S101-F103 PolarHBondContact O-N 3.38Å; S101-Q104 PolarHBondContact O-N 3.26Å; S101-Q104 WeakPolarHBondContact OG-CG 3.31Å; S101-Q104 PolarHBondContact OG-N 2.91Å; S101-F105 PolarHBondContact O-N 3.3Å
102	L	51.6	Low	53.2	Low	120 Å²	120	93 Å²	93	63%	0.628	45%	0.447	S	S	*	.	H	α-helix	trans	-53.8	-26.1	-177.6	-148.5	101.9	0	0	0	111.5	V100 R106	V100-L102 PolarHBondContact O-N 2.98Å; L102-R106 WeakPolarHBondContact O-CB 2.98Å; L102-R106 VanDerWaalsContact O-CG 3.27Å; L102-R106 WeakPolarHBondContact O-CG 3.25Å; L102-R106 PolarHBondContact O-N 2.88Å
103	F	49.5	Very low	53.8	Low	160 Å²	160	94.9 Å²	94.9	70%	0.702	46%	0.456	S	S	*	.	H	α-helix	trans	-69.6	-49.5	176.6	-170.3	-96.9	0	0	0	113.3	S101 F105 R106 L107	S101-F103 PolarHBondContact O-N 3.38Å; F103-F105 PolarHBondContact O-N 3.05Å; F103-R106 PolarHBondContact O-N 2.8Å; F103-L107 PolarHBondContact O-N 2.89Å
104	Q	55	Low	54.2	Low	127 Å²	127	96.6 Å²	96.6	59%	0.593	47%	0.47	S	S	*	.	H	α-helix	trans	-62.9	-36	176.8	-76.2	-179.7	-27.5	0	0	111.4	V100 S101 L107 L108	V100-Q104 HydrophobicContact CG1-CB 4.38Å; S101-Q104 PolarHBondContact O-N 3.26Å; S101-Q104 WeakPolarHBondContact OG-CG 3.31Å; S101-Q104 PolarHBondContact OG-N 2.91Å; Q104-L107 PolarHBondContact O-N 2.92Å; Q104-L108 WeakPolarHBondContact O-CB 3.45Å; Q104-L108 PolarHBondContact O-N 3.47Å
105	F	56.8	Low	54.3	Low	40 Å²	40	93.4 Å²	93.4	18%	0.175	47%	0.472	C	S	.	.	H	α-helix	trans	-66	-42.8	175.8	-172.3	-97.5	0	0	0	112.8	F84 V93 V100 S101 F103 L108 I109	F84-F105 HydrophobicContact CE1-CD2 4.3Å; F84-F105 AromaticContact CE1-CE2 3.28Å; F84-F105 HydrophobicContact CE1-CE2 3.28Å; F84-F105 AromaticContact CE1-CZ 3.56Å; F84-F105 HydrophobicContact CE1-CZ 3.56Å; F84-F105 HydrophobicContact CZ-CD2 4.1Å; F84-F105 AromaticContact CZ-CE2 3.39Å; F84-F105 HydrophobicContact CZ-CE2 3.39Å; F84-F105 HydrophobicContact CZ-CZ 4.16Å; V93-F105 HydrophobicContact CB-CZ 4.09Å; V93-F105 HydrophobicContact CG1-CE2 3.55Å; V93-F105 HydrophobicContact CG1-CZ 3.47Å; V93-F105 VanDerWaalsContact CG1-CZ 3.47Å; V93-F105 HydrophobicContact CG2-CE1 4.49Å; V93-F105 HydrophobicContact CG2-CE2 4.42Å; V93-F105 HydrophobicContact CG2-CZ 3.6Å; V100-F105 HydrophobicContact CG1-CB 4.28Å; S101-F105 PolarHBondContact O-N 3.3Å; F103-F105 PolarHBondContact O-N 3.05Å; F105-L108 PolarHBondContact O-N 2.89Å; F105-I109 HydrophobicContact CD1-CD1 3.67Å; F105-I109 HydrophobicContact CD1-CG1 4.5Å; F105-I109 HydrophobicContact CE1-CD1 3.22Å; F105-I109 HydrophobicContact CE1-CG1 4.22Å; F105-I109 HydrophobicContact CZ-CD1 3.87Å; F105-I109 WeakPolarHBondContact O-CG1 3.18Å; F105-I109 PolarHBondContact O-N 3.46Å
106	R	58.3	Low	54.2	Low	159 Å²	159	95 Å²	95	60%	0.6	48%	0.475	S	S	*	.	H	α-helix	trans	-64.4	-42.2	174.7	-79.1	177.2	177.2	-161	0.6	112.2	L102 F103 L108 I109 L110	L102-R106 WeakPolarHBondContact O-CB 2.98Å; L102-R106 VanDerWaalsContact O-CG 3.27Å; L102-R106 WeakPolarHBondContact O-CG 3.25Å; L102-R106 PolarHBondContact O-N 2.88Å; F103-R106 PolarHBondContact O-N 2.8Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.88Å; R106-I109 PolarHBondContact O-N 3.06Å; R106-L110 WeakPolarHBondContact O-CG 3.49Å; R106-L110 PolarHBondContact O-N 3.48Å
107	L	62.4	Low	54.5	Low	89 Å²	89	97.6 Å²	97.6	47%	0.466	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.2	-171.9	65.6	0	0	0	111.2	F103 Q104 L110 I111	F103-L107 PolarHBondContact O-N 2.89Å; Q104-L107 PolarHBondContact O-N 2.92Å; L107-L110 WeakPolarHBondContact O-CB 3.15Å; L107-L110 PolarHBondContact O-N 3.27Å; L107-I111 HydrophobicContact CG-CD1 4.01Å; L107-I111 VanDerWaalsContact O-CG1 3.27Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.31Å
108	L	62.2	Low	55	Low	27 Å²	27	89.5 Å²	89.5	14%	0.141	46%	0.459	C	S	.	.	H	α-helix	trans	-63.5	-43.3	175.9	-169.3	71.8	0	0	0	111.9	V74 F84 Q104 F105 R106 L110 I111 L112	V74-L108 HydrophobicContact CB-CD2 4.42Å; V74-L108 HydrophobicContact CG1-CD2 4.05Å; V74-L108 HydrophobicContact CG2-CD2 3.76Å; F84-L108 HydrophobicContact CE2-CD2 4.36Å; F84-L108 HydrophobicContact CZ-CD2 4.12Å; Q104-L108 WeakPolarHBondContact O-CB 3.45Å; Q104-L108 PolarHBondContact O-N 3.47Å; F105-L108 PolarHBondContact O-N 2.89Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.88Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-I111 PolarHBondContact O-N 2.93Å; L108-L112 HydrophobicContact CG-CD1 4.07Å; L108-L112 VanDerWaalsContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CB 3.39Å; L108-L112 WeakPolarHBondContact O-CD1 3.17Å; L108-L112 WeakPolarHBondContact O-CG 3.45Å; L108-L112 PolarHBondContact O-N 3.14Å
109	I	61.6	Low	55.5	Low	44 Å²	44	92.2 Å²	92.2	23%	0.226	47%	0.47	C	S	.	.	H	α-helix	trans	-60.8	-44.6	173	-69.7	169.7	0	0	0	110.6	L91 F105 R106 I111 L112 M113	L91-I109 HydrophobicContact CD2-CD1 4.11Å; L91-I109 HydrophobicContact CD2-CG1 4.1Å; F105-I109 HydrophobicContact CD1-CD1 3.67Å; F105-I109 HydrophobicContact CD1-CG1 4.5Å; F105-I109 HydrophobicContact CE1-CD1 3.22Å; F105-I109 HydrophobicContact CE1-CG1 4.22Å; F105-I109 HydrophobicContact CZ-CD1 3.87Å; F105-I109 WeakPolarHBondContact O-CG1 3.18Å; F105-I109 PolarHBondContact O-N 3.46Å; R106-I109 PolarHBondContact O-N 3.06Å; I109-I111 PolarHBondContact O-N 3.38Å; I109-L112 PolarHBondContact O-N 3.05Å; I109-M113 HydrophobicContact CG2-CE 4.4Å; I109-M113 HydrophobicContact CG2-CG 4.08Å; I109-M113 WeakPolarHBondContact O-CB 3.05Å; I109-M113 WeakPolarHBondContact O-CG 3.21Å; I109-M113 PolarHBondContact O-N 3.46Å
110	L	61.9	Low	56.3	Low	114 Å²	114	85.8 Å²	85.8	60%	0.597	44%	0.443	S	S	*	.	H	α-helix	trans	-59.3	-47.4	177.6	-82.5	158.5	0	0	0	111.8	R106 L107 L108 L112 M113 S114	R106-L110 WeakPolarHBondContact O-CG 3.49Å; R106-L110 PolarHBondContact O-N 3.48Å; L107-L110 WeakPolarHBondContact O-CB 3.15Å; L107-L110 PolarHBondContact O-N 3.27Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.03Å; L110-M113 PolarHBondContact O-N 3.31Å; L110-S114 WeakPolarHBondContact O-CB 2.91Å; L110-S114 PolarHBondContact O-N 2.94Å; L110-S114 PolarHBondContact O-OG 3.09Å
111	I	63	Low	56.8	Low	68 Å²	68	87.8 Å²	87.8	35%	0.349	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-40.3	176.9	-67.3	166.4	0	0	0	111	L107 L108 I109 S114 A115	L107-I111 HydrophobicContact CG-CD1 4.01Å; L107-I111 VanDerWaalsContact O-CG1 3.27Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.31Å; L108-I111 PolarHBondContact O-N 2.93Å; I109-I111 PolarHBondContact O-N 3.38Å; I111-S114 WeakPolarHBondContact CA-OG 3.21Å; I111-S114 PolarHBondContact O-OG 3.16Å; I111-A115 WeakPolarHBondContact O-CB 3.37Å; I111-A115 PolarHBondContact O-N 3.38Å
112	L	60.2	Low	57.1	Low	13 Å²	13	89.8 Å²	89.8	7%	0.068	45%	0.453	C	S	.	.	H	α-helix	trans	-68	-38	178.6	-75	169.5	0	0	0	112.2	L53 W72 L108 I109 L110 F116	L53-L112 HydrophobicContact CD1-CD2 4.07Å; L53-L112 HydrophobicContact CD2-CD2 3.7Å; W72-L112 HydrophobicContact CD2-CD2 3.91Å; W72-L112 HydrophobicContact CE3-CD2 3.48Å; W72-L112 VanDerWaalsContact CE3-CD2 3.48Å; W72-L112 HydrophobicContact CH2-CD2 3.73Å; W72-L112 HydrophobicContact CZ2-CD2 4.2Å; W72-L112 HydrophobicContact CZ3-CD2 3.38Å; L108-L112 HydrophobicContact CG-CD1 4.07Å; L108-L112 VanDerWaalsContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CB 3.39Å; L108-L112 WeakPolarHBondContact O-CD1 3.17Å; L108-L112 WeakPolarHBondContact O-CG 3.45Å; L108-L112 PolarHBondContact O-N 3.14Å; I109-L112 PolarHBondContact O-N 3.05Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.03Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å
113	M	59	Low	57.5	Low	100 Å²	100	87.6 Å²	87.6	49%	0.493	44%	0.44	S	S	.	.	H	α-helix	trans	-75.9	-32.9	177.9	-67.8	-61.3	-173.6	0	0	112.2	I109 L110 A115 F116	I109-M113 HydrophobicContact CG2-CE 4.4Å; I109-M113 HydrophobicContact CG2-CG 4.08Å; I109-M113 WeakPolarHBondContact O-CB 3.05Å; I109-M113 WeakPolarHBondContact O-CG 3.21Å; I109-M113 PolarHBondContact O-N 3.46Å; L110-M113 PolarHBondContact O-N 3.31Å; M113-A115 VanDerWaalsContact C-N 3.27Å; M113-A115 PolarHBondContact O-N 3.36Å; M113-F116 PolarHBondContact O-N 3.22Å
114	S	56.1	Low	58.1	Low	90 Å²	90	82.1 Å²	82.1	63%	0.629	42%	0.42	S	S	*	.	H	α-helix	trans	-75.5	-15.7	176.9	65.9	0	0	0	0	113.7	L110 I111 F116	L110-S114 WeakPolarHBondContact O-CB 2.91Å; L110-S114 PolarHBondContact O-N 2.94Å; L110-S114 PolarHBondContact O-OG 3.09Å; I111-S114 WeakPolarHBondContact CA-OG 3.21Å; I111-S114 PolarHBondContact O-OG 3.16Å; S114-F116 VanDerWaalsContact C-N 3.28Å
115	A	50.8	Low	58.4	Low	68 Å²	68	78.3 Å²	78.3	56%	0.562	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	12.7	176.8	0	0	0	0	0	113.3	I111 M113	I111-A115 WeakPolarHBondContact O-CB 3.37Å; I111-A115 PolarHBondContact O-N 3.38Å; M113-A115 VanDerWaalsContact C-N 3.27Å; M113-A115 PolarHBondContact O-N 3.36Å
116	F	48.5	Very low	58.5	Low	128 Å²	128	81.8 Å²	81.8	56%	0.561	43%	0.427	S	S	*	.			trans	-106.2	0	168.2	-81	-80.4	0	0	0	110.3	W72 L112 M113 S114	W72-F116 HydrophobicContact CH2-CE2 4.46Å; W72-F116 AromaticContact CZ2-CE2 3.77Å; W72-F116 HydrophobicContact CZ2-CE2 3.77Å; W72-F116 AromaticContact CZ2-CZ 3.78Å; W72-F116 HydrophobicContact CZ2-CZ 3.78Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; M113-F116 PolarHBondContact O-N 3.22Å; S114-F116 VanDerWaalsContact C-N 3.28Å

Retrieved 116 of 116 residues in 57 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).