A0A5K4FB77_SCHMA Loading...

Helitron_like_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	35.4	Very low	242 Å²	242	151.4 Å²	151.4	100%	1.192	75%	0.754	S	S	*	*				0	85.6	0	-72.6	175.4	170.7	0	0	108.4
2	I	30.4	Very low	36.7	Very low	164 Å²	164	140.2 Å²	140.2	84%	0.841	70%	0.701	S	S	*	*			trans	-117	110.9	165.9	-63.1	174.5	0	0	0	102.9	D4	I2-D4 PolarHBondContact O-N 3.22Å
3	T	32	Very low	39.2	Very low	89 Å²	89	141.8 Å²	141.8	55%	0.546	71%	0.714	S	S	.	*			trans	-71.5	117.6	-172.1	39.5	0	0	0	0	109.5	N5 H6	T3-N5 PolarHBondContact O-N 2.73Å; T3-H6 PolarHBondContact O-N 2.95Å
4	D	39.4	Very low	41.9	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-55.5	-1.7	173.1	-74.8	-49	0	0	0	114.4	I2 H6	I2-D4 PolarHBondContact O-N 3.22Å; D4-H6 VanDerWaalsContact C-N 3.35Å; D4-H6 PolarHBondContact O-N 2.9Å
5	N	36.7	Very low	44.4	Very low	113 Å²	113	129.8 Å²	129.8	60%	0.604	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-74	-17.6	177.2	-76.3	-13.4	0	0	0	114.2	T3 I7	T3-N5 PolarHBondContact O-N 2.73Å; N5-I7 VanDerWaalsContact C-N 3.34Å; N5-I7 PolarHBondContact O-N 3.05Å
6	H	32.4	Very low	46.5	Very low	154 Å²	154	124.3 Å²	124.3	71%	0.713	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-75.8	-19.1	177.7	-84.7	-74.6	0	0	0	114.3	T3 D4	T3-H6 PolarHBondContact O-N 2.95Å; D4-H6 VanDerWaalsContact C-N 3.35Å; D4-H6 PolarHBondContact O-N 2.9Å
7	I	35.6	Very low	48.2	Very low	147 Å²	147	122.6 Å²	122.6	75%	0.754	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-24.2	-178.5	-60.3	176.6	0	0	0	111.5	N5	N5-I7 VanDerWaalsContact C-N 3.34Å; N5-I7 PolarHBondContact O-N 3.05Å
8	K	32.2	Very low	50.2	Low	171 Å²	171	116.1 Å²	116.1	74%	0.743	60%	0.601	S	S	*	*	S	Bend	trans	-85.7	-6.3	179.6	-84.8	177.6	177.5	171.3	0	115.3
9	L	33.7	Very low	51.8	Low	138 Å²	138	110 Å²	110	72%	0.723	57%	0.57	S	S	*	*			trans	-114.8	11.7	-171.5	-94	153	0	0	0	115.7	L11	L9-L11 PolarHBondContact O-N 3.22Å; L9-L11 VanDerWaalsContact O-N 3.09Å
10	K	38.3	Very low	53.1	Low	197 Å²	197	109.4 Å²	109.4	86%	0.857	56%	0.564	S	S	*	*			trans	-79.4	36.5	160	-81.6	-172.8	177.7	179.1	0	112.2	S12	K10-S12 PolarHBondContact O-N 2.8Å
11	L	45.5	Very low	54.2	Low	114 Å²	114	105.2 Å²	105.2	60%	0.597	54%	0.544	S	S	*	.			trans	-73.9	85.2	161.6	-97.6	114.2	0	0	0	108.1	L9	L9-L11 PolarHBondContact O-N 3.22Å; L9-L11 VanDerWaalsContact O-N 3.09Å
12	S	51.3	Low	56.2	Low	17 Å²	17	94.9 Å²	94.9	12%	0.119	49%	0.493	C	S	.	.			trans	26.4	99.8	148.3	65	0	0	0	0	116.6	K10 C14 N23 M92	K10-S12 PolarHBondContact O-N 2.8Å; S12-C14 PolarHBondContact O-N 3.26Å; S12-N23 PolarHBondContact OG-OD1 3.46Å; S12-M92 WeakPolarHBondContact CB-SD 3.31Å
13	N	68.9	Low	58	Low	162 Å²	162	90 Å²	90	87%	0.866	47%	0.469	S	S	*	.			trans	-66.2	3.4	175.4	-62.6	-1.6	0	0	0	114.4	S15	N13-S15 PolarHBondContact O-N 3.28Å
14	C	77.9	Confident	59.3	Low	7 Å²	7	90.8 Å²	90.8	5%	0.047	47%	0.469	C	S	.	.			trans	-84	114.4	-179.4	-172.3	0	0	0	0	110.3	S12 C16 C19 C89 Q91 M92	S12-C14 PolarHBondContact O-N 3.26Å; C14-C16 PolarHBondContact SG-SG 3.46Å; C14-C19 HydrophobicContact CB-CB 4.12Å; C14-C19 WeakPolarHBondContact O-CB 3.28Å; C14-C19 VanDerWaalsContact SG-SG 3.65Å; C14-C89 PolarHBondContact SG-SG 3.47Å; C14-Q91 HydrophobicContact CB-CB 4.39Å; C14-Q91 PolarHBondContact SG-OE1 3.12Å; C14-M92 HydrophobicContact CB-CG 3.57Å; C14-M92 HydrophobicContact CB-SD 4.27Å
15	S	79.2	Confident	59.7	Low	96 Å²	96	94.1 Å²	94.1	67%	0.671	48%	0.477	S	S	*	.			trans	-92	6.8	179.8	56.5	0	0	0	0	114.1	N13 Q20	N13-S15 PolarHBondContact O-N 3.28Å; S15-Q20 PolarHBondContact O-NE2 3.31Å
16	C	77	Confident	60.2	Low	42 Å²	42	93.8 Å²	93.8	28%	0.284	48%	0.475	S	S	.	.	S	Bend	trans	-64.4	155.8	-179.8	77.9	0	0	0	0	112.4	C14 I18 C19 Q20	C14-C16 PolarHBondContact SG-SG 3.46Å; C16-I18 PolarHBondContact O-N 2.99Å; C16-I18 VanDerWaalsContact O-N 3.08Å; C16-C19 PolarHBondContact O-N 2.91Å; C16-Q20 WeakPolarHBondContact O-CG 3.4Å; C16-Q20 PolarHBondContact O-N 3Å
17	D	76.8	Confident	60.6	Low	95 Å²	95	94.7 Å²	94.7	51%	0.508	48%	0.48	S	S	.	.	H	α-helix	trans	-51.7	-37.1	-176.9	-52.5	-12.6	0	0	0	112.7	Q20 C21	D17-Q20 PolarHBondContact O-N 3.21Å; D17-C21 PolarHBondContact O-N 2.79Å; D17-C21 PolarHBondContact O-SG 3.31Å
18	I	82.9	Confident	60.9	Low	6 Å²	6	92.6 Å²	92.6	3%	0.031	48%	0.478	C	S	.	.	H	α-helix	trans	-62.5	-52.5	175.6	-58.4	164.4	0	0	0	110.3	C16 Q20 C21 F22 N86 L87 Y88 C89 R94 L96	C16-I18 PolarHBondContact O-N 2.99Å; C16-I18 VanDerWaalsContact O-N 3.08Å; I18-Q20 VanDerWaalsContact C-N 3.27Å; I18-Q20 PolarHBondContact O-N 3.36Å; I18-C21 VanDerWaalsContact O-CB 3.25Å; I18-C21 WeakPolarHBondContact O-CB 3.43Å; I18-C21 PolarHBondContact O-N 2.89Å; I18-C21 VanDerWaalsContact O-N 3.08Å; I18-F22 HydrophobicContact CG2-CE2 3.97Å; I18-F22 WeakPolarHBondContact O-CD2 3.29Å; I18-N86 HydrophobicContact CD1-CB 4.37Å; I18-N86 WeakPolarHBondContact CD1-O 3.4Å; I18-L87 VanDerWaalsContact CD1-C 3.43Å; I18-Y88 WeakPolarHBondContact CD1-O 3.2Å; I18-C89 HydrophobicContact CB-CB 4.26Å; I18-C89 HydrophobicContact CD1-CB 3.98Å; I18-C89 HydrophobicContact CG2-CB 4.21Å; I18-R94 HydrophobicContact CG2-CB 4.11Å; I18-L96 HydrophobicContact CB-CD1 4.45Å; I18-L96 HydrophobicContact CG1-CD1 4.2Å; I18-L96 HydrophobicContact CG2-CD1 4.25Å; I18-L96 HydrophobicContact CG2-CG 4.16Å
19	C	81.2	Confident	61.5	Low	0 Å²	0	92 Å²	92	0%	0	48%	0.475	C	S	.	.	H	α-helix	trans	-67.7	-29.9	-177.3	-73.1	0	0	0	0	112.4	C14 C16 C21 F22 N23 M92	C14-C19 HydrophobicContact CB-CB 4.12Å; C14-C19 WeakPolarHBondContact O-CB 3.28Å; C14-C19 VanDerWaalsContact SG-SG 3.65Å; C16-C19 PolarHBondContact O-N 2.91Å; C19-C21 VanDerWaalsContact C-N 3.26Å; C19-C21 PolarHBondContact O-N 2.97Å; C19-F22 PolarHBondContact O-N 3.05Å; C19-F22 VanDerWaalsContact O-N 3.12Å; C19-N23 VanDerWaalsContact O-CG 3.29Å; C19-N23 PolarHBondContact O-N 3.27Å; C19-N23 VanDerWaalsContact O-N 3.07Å; C19-N23 PolarHBondContact O-ND2 2.91Å; C19-M92 WeakPolarHBondContact SG-CG 3.47Å
20	Q	78.5	Confident	62.3	Low	97 Å²	97	90.4 Å²	90.4	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-35.9	171.4	-67.4	-178.1	9.8	0	0	111.9	S15 C16 D17 I18 F22 N23 N24	S15-Q20 PolarHBondContact O-NE2 3.31Å; C16-Q20 WeakPolarHBondContact O-CG 3.4Å; C16-Q20 PolarHBondContact O-N 3Å; D17-Q20 PolarHBondContact O-N 3.21Å; I18-Q20 VanDerWaalsContact C-N 3.27Å; I18-Q20 PolarHBondContact O-N 3.36Å; Q20-F22 VanDerWaalsContact C-N 3.27Å; Q20-F22 PolarHBondContact O-N 3.33Å; Q20-N23 PolarHBondContact O-N 2.89Å; Q20-N24 WeakPolarHBondContact O-CB 3.31Å; Q20-N24 PolarHBondContact O-N 3.1Å
21	C	75.9	Confident	63.3	Low	22 Å²	22	85.3 Å²	85.3	15%	0.149	45%	0.449	C	S	.	.	H	α-helix	trans	-60.8	-36.2	174.7	-60.4	0	0	0	0	112.3	D17 I18 C19 F54	D17-C21 PolarHBondContact O-N 2.79Å; D17-C21 PolarHBondContact O-SG 3.31Å; I18-C21 VanDerWaalsContact O-CB 3.25Å; I18-C21 WeakPolarHBondContact O-CB 3.43Å; I18-C21 PolarHBondContact O-N 2.89Å; I18-C21 VanDerWaalsContact O-N 3.08Å; C19-C21 VanDerWaalsContact C-N 3.26Å; C19-C21 PolarHBondContact O-N 2.97Å; C21-F54 HydrophobicContact CB-CD1 4.48Å; C21-F54 HydrophobicContact CB-CD2 4.42Å; C21-F54 HydrophobicContact CB-CE1 4.4Å; C21-F54 HydrophobicContact CB-CE2 4.33Å; C21-F54 HydrophobicContact CB-CG 4.48Å; C21-F54 HydrophobicContact CB-CZ 4.31Å; C21-F54 WeakPolarHBondContact O-CD2 3.37Å; C21-F54 WeakPolarHBondContact O-CE2 3.41Å
22	F	75	Confident	63.7	Low	25 Å²	25	84 Å²	84	11%	0.11	45%	0.446	C	S	.	.	H	α-helix	trans	-81	-28.7	-177.4	-72.7	-122.9	0	0	0	112.3	I18 C19 Q20 K53 F54 G70 R94 L96	I18-F22 HydrophobicContact CG2-CE2 3.97Å; I18-F22 WeakPolarHBondContact O-CD2 3.29Å; C19-F22 PolarHBondContact O-N 3.05Å; C19-F22 VanDerWaalsContact O-N 3.12Å; Q20-F22 VanDerWaalsContact C-N 3.27Å; Q20-F22 PolarHBondContact O-N 3.33Å; F22-K53 HydrophobicContact CD1-CB 3.44Å; F22-K53 VanDerWaalsContact CD1-CB 3.44Å; F22-K53 HydrophobicContact CD1-CG 4.33Å; F22-K53 HydrophobicContact CE1-CB 3.6Å; F22-K53 HydrophobicContact CE1-CG 4.36Å; F22-F54 HydrophobicContact CD1-CB 4.48Å; F22-F54 HydrophobicContact CD2-CB 4.28Å; F22-F54 HydrophobicContact CE2-CB 4.48Å; F22-F54 HydrophobicContact CG-CB 4.3Å; F22-G70 VanDerWaalsContact CZ-C 3.46Å; F22-R94 VanDerWaalsContact CD1-CD 3.47Å; F22-R94 HydrophobicContact CD1-CG 3.97Å; F22-R94 HydrophobicContact CE1-CB 4Å; F22-R94 HydrophobicContact CE1-CG 3.56Å; F22-R94 HydrophobicContact CE2-CB 4.02Å; F22-R94 HydrophobicContact CE2-CG 4.35Å; F22-R94 HydrophobicContact CZ-CB 3.65Å; F22-R94 HydrophobicContact CZ-CG 3.77Å; F22-L96 HydrophobicContact CE2-CD2 4.07Å
23	N	68.4	Low	64.2	Low	63 Å²	63	86.6 Å²	86.6	34%	0.337	46%	0.456	S	S	.	.	H	α-helix	trans	-86.2	-26.5	-178.3	-66.1	-15.5	0	0	0	112.2	S12 C19 Q20 K25	S12-N23 PolarHBondContact OG-OD1 3.46Å; C19-N23 VanDerWaalsContact O-CG 3.29Å; C19-N23 PolarHBondContact O-N 3.27Å; C19-N23 VanDerWaalsContact O-N 3.07Å; C19-N23 PolarHBondContact O-ND2 2.91Å; Q20-N23 PolarHBondContact O-N 2.89Å; N23-K25 PolarHBondContact O-N 3.18Å; N23-K25 VanDerWaalsContact O-N 3.09Å
24	N	58.5	Low	64.1	Low	105 Å²	105	80 Å²	80	56%	0.561	42%	0.42	S	S	*	.	S	Bend	trans	-64.7	114.6	172.2	-92.2	-31.7	0	0	0	109.1	Q20 L26	Q20-N24 WeakPolarHBondContact O-CB 3.31Å; Q20-N24 PolarHBondContact O-N 3.1Å; N24-L26 HydrophobicContact CB-CD1 4.17Å; N24-L26 HydrophobicContact CB-CG 4.16Å; N24-L26 PolarHBondContact O-N 3.22Å
25	K	48.6	Very low	64.2	Low	205 Å²	205	83.6 Å²	83.6	89%	0.891	44%	0.435	S	S	*	.			trans	-66.7	59.4	161.5	-67.5	-179.2	-178	175.7	0	108.7	N23 Q27	N23-K25 PolarHBondContact O-N 3.18Å; N23-K25 VanDerWaalsContact O-N 3.09Å; K25-Q27 PolarHBondContact O-N 2.99Å
26	L	46.4	Very low	64.3	Low	107 Å²	107	79.1 Å²	79.1	56%	0.56	40%	0.404	S	S	*	.			trans	-59.6	112.4	166.8	-86.6	157	0	0	0	104.8	N24 S28 F54	N24-L26 HydrophobicContact CB-CD1 4.17Å; N24-L26 HydrophobicContact CB-CG 4.16Å; N24-L26 PolarHBondContact O-N 3.22Å; L26-S28 PolarHBondContact O-N 2.84Å; L26-F54 HydrophobicContact CD1-CE2 3.92Å
27	Q	40.1	Very low	64.7	Low	173 Å²	173	83 Å²	83	81%	0.808	42%	0.416	S	S	*	.			trans	-38.5	121.8	-179.6	-70.3	176.2	-1	0	0	107.4	K25 K29	K25-Q27 PolarHBondContact O-N 2.99Å; Q27-K29 PolarHBondContact O-N 3.45Å
28	S	42.2	Very low	65	Low	102 Å²	102	82.5 Å²	82.5	71%	0.713	41%	0.413	S	S	*	.			trans	-64.9	67.2	178.7	46.3	0	0	0	0	108.8	L26 P30	L26-S28 PolarHBondContact O-N 2.84Å; S28-P30 WeakPolarHBondContact O-CD 3.26Å
29	K	45.6	Very low	65.2	Low	158 Å²	158	87.6 Å²	87.6	69%	0.687	44%	0.44	S	S	*	.			trans	-59.4	114.5	163.6	-117.3	178.9	-179.7	177	0	103.6	Q27 Y31	Q27-K29 PolarHBondContact O-N 3.45Å; K29-Y31 WeakPolarHBondContact O-CD2 3.3Å; K29-Y31 PolarHBondContact O-N 2.99Å
30	P	50.9	Low	65.6	Low	106 Å²	106	88.5 Å²	88.5	69%	0.688	45%	0.445	S	S	*	.			trans	-61.7	109.9	-175.5	22.9	-30.4	0	0	0	107	S28 T32	S28-P30 WeakPolarHBondContact O-CD 3.26Å; P30-T32 PolarHBondContact O-N 3.43Å
31	Y	58.5	Low	66.3	Low	89 Å²	89	87.7 Å²	87.7	35%	0.349	44%	0.438	S	S	.	.			trans	-70.5	86.9	169	-64.4	-82	0	0	0	106.6	K29 H33 M34 I55 P57 L67	K29-Y31 WeakPolarHBondContact O-CD2 3.3Å; K29-Y31 PolarHBondContact O-N 2.99Å; Y31-H33 PolarHBondContact O-N 2.94Å; Y31-M34 HydrophobicContact CG-CG 4.5Å; Y31-M34 PolarHBondContact O-N 3.35Å; Y31-M34 VanDerWaalsContact O-N 3.09Å; Y31-I55 HydrophobicContact CD2-CB 4.16Å; Y31-I55 HydrophobicContact CD2-CG2 3.44Å; Y31-I55 VanDerWaalsContact CD2-CG2 3.44Å; Y31-I55 HydrophobicContact CE2-CB 4.44Å; Y31-I55 HydrophobicContact CE2-CG2 3.98Å; Y31-I55 WeakPolarHBondContact CE2-O 3.36Å; Y31-I55 HydrophobicContact CG-CG2 3.97Å; Y31-P57 WeakPolarHBondContact OH-CD 3.23Å; Y31-L67 HydrophobicContact CD1-CD1 3.8Å; Y31-L67 HydrophobicContact CD1-CD2 4.12Å; Y31-L67 HydrophobicContact CE1-CD1 3.63Å; Y31-L67 HydrophobicContact CG-CD1 4.34Å
32	T	54.2	Low	67	Low	88 Å²	88	86.6 Å²	86.6	54%	0.54	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-11.7	-173.2	42.8	0	0	0	0	114	P30	P30-T32 PolarHBondContact O-N 3.43Å
33	H	61	Low	67.8	Low	70 Å²	70	88.6 Å²	88.6	32%	0.324	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	11.4	-177.9	-52.2	-59.1	0	0	0	114.1	Y31 K116	Y31-H33 PolarHBondContact O-N 2.94Å; H33-K116 PolarHBondContact CE1-O 2.97Å; H33-K116 VanDerWaalsContact CE1-O 3.32Å; H33-K116 PolarHBondContact NE2-O 2.94Å
34	M	68.3	Low	68.7	Low	23 Å²	23	85.6 Å²	85.6	11%	0.113	42%	0.423	C	S	.	.			trans	-78.1	131	171.4	-91.6	-84.7	132.5	0	0	110	Y31 C36 I55 L67 V69	Y31-M34 HydrophobicContact CG-CG 4.5Å; Y31-M34 PolarHBondContact O-N 3.35Å; Y31-M34 VanDerWaalsContact O-N 3.09Å; M34-C36 WeakPolarHBondContact CB-O 3.27Å; M34-C36 PolarHBondContact O-N 3.37Å; M34-I55 HydrophobicContact CG-CG2 3.72Å; M34-I55 HydrophobicContact SD-CG2 4.03Å; M34-L67 HydrophobicContact CE-CD2 3.45Å; M34-L67 VanDerWaalsContact CE-CD2 3.45Å; M34-L67 HydrophobicContact CE-CG 3.81Å; M34-L67 HydrophobicContact CG-CD2 4.19Å; M34-L67 HydrophobicContact SD-CD2 4.49Å; M34-V69 HydrophobicContact CE-CG2 4.42Å; M34-V69 HydrophobicContact SD-CG2 3.73Å
35	K	78.3	Confident	69.9	Low	83 Å²	83	85.7 Å²	85.7	36%	0.361	42%	0.416	S	S	.	.	S	Bend	trans	-63	-21.6	174.8	67.1	176.6	-176.9	178.6	0	112.3	S99 F102 L104	K35-S99 VanDerWaalsContact CE-C 3.45Å; K35-S99 WeakPolarHBondContact CE-O 3.31Å; K35-S99 PolarHBondContact NZ-O 3.48Å; K35-F102 HydrophobicContact CG-CE2 4.44Å; K35-F102 PolarHBondContact NZ-O 2.96Å; K35-L104 WeakPolarHBondContact O-CD1 3.2Å
36	C	82.8	Confident	71.5	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.014	40%	0.404	C	S	.	.			trans	-115.2	164.7	177.2	64.3	0	0	0	0	112.5	M34 D40 V52 F102 L104 R110	M34-C36 WeakPolarHBondContact CB-O 3.27Å; M34-C36 PolarHBondContact O-N 3.37Å; C36-D40 WeakPolarHBondContact CA-OD2 3.12Å; C36-D40 HydrophobicContact CB-CB 4.45Å; C36-D40 WeakPolarHBondContact CB-OD2 3.34Å; C36-V52 HydrophobicContact CB-CG2 4.12Å; C36-F102 HydrophobicContact CB-CE2 3.98Å; C36-F102 HydrophobicContact CB-CZ 4.07Å; C36-F102 VanDerWaalsContact SG-CZ 3.6Å; C36-L104 HydrophobicContact CB-CD2 3.98Å; C36-R110 VanDerWaalsContact C-NH1 3.32Å
37	K	83.8	Confident	73.4	Confident	123 Å²	123	83.4 Å²	83.4	54%	0.535	41%	0.407	S	S	.	.			trans	-125.4	169.7	162.9	-60.5	165.1	-167	-177.2	0	108.2	D40 V52	K37-D40 PolarHBondContact N-OD2 3.3Å; K37-D40 WeakPolarHBondContact O-CB 3.29Å; K37-D40 PolarHBondContact O-N 3.03Å; K37-V52 WeakPolarHBondContact O-CB 3.39Å
38	L	84.6	Confident	75.8	Confident	85 Å²	85	76.9 Å²	76.9	45%	0.445	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	141.4	169.1	-61.5	176.3	0	0	0	110.6	D40 V52 K53 I55	L38-D40 VanDerWaalsContact C-N 3.27Å; L38-D40 PolarHBondContact O-N 3.2Å; L38-V52 HydrophobicContact CD2-CG1 4.38Å; L38-K53 VanDerWaalsContact CD2-C 3.47Å; L38-K53 WeakPolarHBondContact CD2-O 3.4Å; L38-I55 HydrophobicContact CD2-CG1 4.26Å
39	N	87.4	Confident	78.3	Confident	113 Å²	113	74.5 Å²	74.5	60%	0.604	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	8.5	-177.2	-54.8	-48.3	0	0	0	116.6	V52	N39-V52 WeakPolarHBondContact CA-O 3.39Å; N39-V52 PolarHBondContact N-O 3.3Å
40	D	88.8	Confident	80.6	Confident	19 Å²	19	67 Å²	67	10%	0.102	32%	0.322	C	S	.	.			trans	-63.8	141.5	167.2	-84.6	-24.6	0	0	0	112.3	C36 K37 L38 V42 I51 V52 L104 R110	C36-D40 WeakPolarHBondContact CA-OD2 3.12Å; C36-D40 HydrophobicContact CB-CB 4.45Å; C36-D40 WeakPolarHBondContact CB-OD2 3.34Å; K37-D40 PolarHBondContact N-OD2 3.3Å; K37-D40 WeakPolarHBondContact O-CB 3.29Å; K37-D40 PolarHBondContact O-N 3.03Å; L38-D40 VanDerWaalsContact C-N 3.27Å; L38-D40 PolarHBondContact O-N 3.2Å; D40-V42 HydrophobicContact CB-CG1 4.34Å; D40-I51 CarbonylContact O-C 3.59Å; D40-I51 VanDerWaalsContact O-CA 3.31Å; D40-I51 WeakPolarHBondContact O-CA 3.17Å; D40-V52 HydrophobicContact CB-CB 4.43Å; D40-V52 HydrophobicContact CB-CG2 4.06Å; D40-V52 PolarHBondContact O-N 3.15Å; D40-L104 HydrophobicContact CB-CD2 4.02Å; D40-R110 IonicContact OD1-CZ 3.05Å; D40-R110 IonicContact OD1-NE 3.32Å; D40-R110 IonicContact OD1-NH2 2.6Å; D40-R110 PolarHBondContact OD1-NH2 3.35Å; D40-R110 IonicContact OD2-CZ 3.82Å; D40-R110 IonicContact OD2-NH1 2.57Å; D40-R110 PolarHBondContact OD2-NH1 3.01Å; D40-R110 IonicContact OD2-NH2 3.81Å; D40-R110 PolarHBondContact OD2-NH2 3.07Å
41	R	92.3	Very high	82.6	Confident	80 Å²	80	64.2 Å²	64.2	30%	0.302	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.8	161.8	-79.5	-68	-71	-171.7	-18.5	110.6	D49 G50 I51 D74 L105	R41-D49 IonicContact NH2-OD2 3.79Å; R41-G50 WeakPolarHBondContact CA-O 3.47Å; R41-G50 WeakPolarHBondContact CD-O 3.28Å; R41-G50 PolarHBondContact NH1-O 3.09Å; R41-I51 HydrophobicContact CG-CG1 4.43Å; R41-D74 IonicContact CZ-OD1 3.15Å; R41-D74 IonicContact CZ-OD2 3.9Å; R41-D74 IonicContact NH1-OD1 2.76Å; R41-D74 PolarHBondContact NH1-OD1 3.18Å; R41-D74 IonicContact NH1-OD2 3.94Å; R41-D74 PolarHBondContact NH1-OD2 3.21Å; R41-D74 IonicContact NH2-OD2 2.67Å; R41-D74 PolarHBondContact NH2-OD2 3.07Å; R41-L105 HydrophobicContact CB-CB 4.14Å; R41-L105 PolarHBondContact O-N 2.85Å
42	V	92	Very high	84.1	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.3	-177.6	-64.6	0	0	0	0	110.5	D40 D49 G50 V52 I71 F102 T103 L104	D40-V42 HydrophobicContact CB-CG1 4.34Å; V42-D49 WeakPolarHBondContact O-CA 3.44Å; V42-G50 PolarHBondContact N-O 3.37Å; V42-G50 PolarHBondContact O-N 3.49Å; V42-V52 HydrophobicContact CG1-CG2 3.72Å; V42-V52 HydrophobicContact CG2-CG2 4.26Å; V42-I71 HydrophobicContact CG2-CD1 3.85Å; V42-I71 HydrophobicContact CG2-CG1 4.11Å; V42-I71 HydrophobicContact CG2-CG2 3.73Å; V42-F102 HydrophobicContact CB-CB 4.12Å; V42-F102 HydrophobicContact CB-CD2 3.72Å; V42-F102 HydrophobicContact CB-CE2 4.43Å; V42-F102 HydrophobicContact CB-CG 4.07Å; V42-F102 HydrophobicContact CG1-CD2 3.42Å; V42-F102 VanDerWaalsContact CG1-CD2 3.42Å; V42-F102 HydrophobicContact CG1-CE2 3.67Å; V42-F102 HydrophobicContact CG1-CG 4.19Å; V42-F102 HydrophobicContact CG2-CD2 4.49Å; V42-F102 HydrophobicContact CG2-CG 4.47Å; V42-T103 CarbonylContact C-O 3.52Å; V42-T103 WeakPolarHBondContact CA-O 3.41Å; V42-T103 WeakPolarHBondContact CB-O 3.4Å; V42-L104 HydrophobicContact CG1-CD2 4.03Å
43	K	90.7	Very high	85.7	Confident	67 Å²	67	59.3 Å²	59.3	29%	0.291	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106	169.6	-169.7	171.2	-89.5	-173.8	0	109	Y48 D49 F102 T103 L105	K43-Y48 CarbonylContact C-O 3.58Å; K43-Y48 WeakPolarHBondContact CA-O 3.46Å; K43-D49 WeakPolarHBondContact CE-OD1 3.28Å; K43-D49 WeakPolarHBondContact CG-OD1 3.41Å; K43-D49 IonicContact NZ-OD1 3.18Å; K43-F102 CarbonylContact O-C 3.59Å; K43-F102 VanDerWaalsContact O-CA 3.24Å; K43-F102 WeakPolarHBondContact O-CA 3.47Å; K43-F102 WeakPolarHBondContact O-CB 3.23Å; K43-T103 PolarHBondContact N-O 2.85Å; K43-T103 PolarHBondContact O-N 3.09Å; K43-T103 PolarHBondContact O-OG1 2.92Å; K43-L105 HydrophobicContact CB-CD1 3.91Å; K43-L105 HydrophobicContact CB-CD2 3.76Å; K43-L105 HydrophobicContact CB-CG 3.78Å; K43-L105 HydrophobicContact CD-CD2 4.21Å
44	L	87.1	Confident	87	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.4	175	175.2	70.6	0	0	0	109.8	N46 K47 Y48 L73 I95 V97 F101	L44-N46 PolarHBondContact O-N 2.9Å; L44-K47 PolarHBondContact O-N 3.32Å; L44-Y48 PolarHBondContact N-O 3.35Å; L44-Y48 PolarHBondContact O-N 2.9Å; L44-L73 HydrophobicContact CB-CD2 4.31Å; L44-L73 HydrophobicContact CD2-CD1 4.23Å; L44-L73 HydrophobicContact CD2-CD2 4.03Å; L44-I95 HydrophobicContact CD2-CD1 4.08Å; L44-I95 HydrophobicContact CD2-CG2 3.94Å; L44-V97 HydrophobicContact CD1-CB 4.45Å; L44-V97 HydrophobicContact CD1-CG1 3.96Å; L44-V97 HydrophobicContact CD1-CG2 4.14Å; L44-F101 HydrophobicContact CD1-CB 3.95Å
45	W	85.2	Confident	87.8	Confident	106 Å²	106	56.5 Å²	56.5	40%	0.402	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	32.4	179.6	-54.4	-41.2	0	0	0	113.9	K47 Y48 I77 C80 I95 F101	W45-K47 PolarHBondContact O-N 3.46Å; W45-Y48 AromaticContact CE3-CD2 3.9Å; W45-Y48 HydrophobicContact CE3-CD2 3.9Å; W45-Y48 AromaticContact CE3-CE2 3.9Å; W45-Y48 HydrophobicContact CE3-CE2 3.9Å; W45-Y48 HydrophobicContact CZ3-CE2 4.39Å; W45-I77 HydrophobicContact CH2-CD1 4.41Å; W45-I77 HydrophobicContact CZ3-CD1 4.18Å; W45-C80 HydrophobicContact CH2-CB 4.48Å; W45-I95 HydrophobicContact CH2-CD1 3.96Å; W45-I95 HydrophobicContact CZ2-CD1 4.34Å; W45-F101 HydrophobicContact CZ2-CD2 4.26Å; W45-F101 PolarHBondContact N-O 2.73Å; W45-F101 AromaticContact NE1-CD2 3.3Å; W45-F101 VanDerWaalsContact NE1-CD2 3.3Å; W45-F101 AromaticContact NE1-CG 3.83Å
46	N	80.4	Confident	88	Confident	119 Å²	119	52.6 Å²	52.6	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	19.5	-175.1	-67.7	-19.6	0	0	0	114.9	L44 T103	L44-N46 PolarHBondContact O-N 2.9Å; N46-T103 PolarHBondContact OD1-OG1 3.21Å
47	K	87.9	Confident	87.8	Confident	146 Å²	146	55.5 Å²	55.5	64%	0.635	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-40.1	-173.1	-174.8	174.1	176.8	-172	0	113.7	L44 W45	L44-K47 PolarHBondContact O-N 3.32Å; W45-K47 PolarHBondContact O-N 3.46Å
48	Y	90.9	Very high	87.4	Confident	36 Å²	36	50.1 Å²	50.1	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.3	-170.9	-56.2	-74	0	0	0	110.6	K43 L44 W45 S75 I77	K43-Y48 CarbonylContact C-O 3.58Å; K43-Y48 WeakPolarHBondContact CA-O 3.46Å; L44-Y48 PolarHBondContact N-O 3.35Å; L44-Y48 PolarHBondContact O-N 2.9Å; W45-Y48 AromaticContact CE3-CD2 3.9Å; W45-Y48 HydrophobicContact CE3-CD2 3.9Å; W45-Y48 AromaticContact CE3-CE2 3.9Å; W45-Y48 HydrophobicContact CE3-CE2 3.9Å; W45-Y48 HydrophobicContact CZ3-CE2 4.39Å; Y48-S75 WeakPolarHBondContact CD1-OG 3.33Å; Y48-I77 HydrophobicContact CD1-CG2 3.58Å; Y48-I77 HydrophobicContact CD2-CG2 3.85Å; Y48-I77 HydrophobicContact CE1-CG2 3.62Å; Y48-I77 HydrophobicContact CE2-CG2 3.91Å; Y48-I77 HydrophobicContact CG-CG2 3.67Å
49	D	93.4	Very high	86.8	Confident	51 Å²	51	51.6 Å²	51.6	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.3	176.9	-61.3	-22.1	0	0	0	111.2	R41 V42 K43 D74 L105	R41-D49 IonicContact NH2-OD2 3.79Å; V42-D49 WeakPolarHBondContact O-CA 3.44Å; K43-D49 WeakPolarHBondContact CE-OD1 3.28Å; K43-D49 WeakPolarHBondContact CG-OD1 3.41Å; K43-D49 IonicContact NZ-OD1 3.18Å; D49-D74 PolarHBondContact O-N 3.29Å; D49-L105 HydrophobicContact CB-CD1 4.33Å; D49-L105 WeakPolarHBondContact OD1-CD1 3.31Å
50	G	94	Very high	85.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	179.9	178.5	0	0	0	0	0	113.4	R41 V42 E72	R41-G50 WeakPolarHBondContact CA-O 3.47Å; R41-G50 WeakPolarHBondContact CD-O 3.28Å; R41-G50 PolarHBondContact NH1-O 3.09Å; V42-G50 PolarHBondContact N-O 3.37Å; V42-G50 PolarHBondContact O-N 3.49Å; G50-E72 CarbonylContact C-O 3.47Å; G50-E72 WeakPolarHBondContact CA-O 2.91Å
51	I	92.2	Very high	84.1	Confident	48 Å²	48	54.4 Å²	54.4	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.4	-179.6	-64	168	0	0	0	109.4	D40 R41 K53 I71 E72	D40-I51 CarbonylContact O-C 3.59Å; D40-I51 VanDerWaalsContact O-CA 3.31Å; D40-I51 WeakPolarHBondContact O-CA 3.17Å; R41-I51 HydrophobicContact CG-CG1 4.43Å; I51-K53 HydrophobicContact CG2-CD 4.17Å; I51-K53 PolarHBondContact O-N 2.94Å; I51-I71 WeakPolarHBondContact O-CA 3.48Å; I51-E72 PolarHBondContact N-O 2.88Å; I51-E72 PolarHBondContact O-N 3.35Å
52	V	90.8	Very high	82.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	119.5	172.5	178.8	0	0	0	0	109.6	C36 K37 L38 N39 D40 V42 I55 V69	C36-V52 HydrophobicContact CB-CG2 4.12Å; K37-V52 WeakPolarHBondContact O-CB 3.39Å; L38-V52 HydrophobicContact CD2-CG1 4.38Å; N39-V52 WeakPolarHBondContact CA-O 3.39Å; N39-V52 PolarHBondContact N-O 3.3Å; D40-V52 HydrophobicContact CB-CB 4.43Å; D40-V52 HydrophobicContact CB-CG2 4.06Å; D40-V52 PolarHBondContact O-N 3.15Å; V42-V52 HydrophobicContact CG1-CG2 3.72Å; V42-V52 HydrophobicContact CG2-CG2 4.26Å; V52-I55 HydrophobicContact CG1-CD1 3.99Å; V52-I55 HydrophobicContact CG1-CG1 3.76Å; V52-V69 HydrophobicContact CB-CG1 4.43Å; V52-V69 HydrophobicContact CG1-CG1 3.7Å; V52-V69 HydrophobicContact CG2-CG1 4.01Å
53	K	87.9	Confident	81	Confident	75 Å²	75	64.2 Å²	64.2	33%	0.326	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-15.4	179.6	-66.1	-64.6	-172.4	179.2	0	113.4	F22 L38 I51 G70 E72	F22-K53 HydrophobicContact CD1-CB 3.44Å; F22-K53 VanDerWaalsContact CD1-CB 3.44Å; F22-K53 HydrophobicContact CD1-CG 4.33Å; F22-K53 HydrophobicContact CE1-CB 3.6Å; F22-K53 HydrophobicContact CE1-CG 4.36Å; L38-K53 VanDerWaalsContact CD2-C 3.47Å; L38-K53 WeakPolarHBondContact CD2-O 3.4Å; I51-K53 HydrophobicContact CG2-CD 4.17Å; I51-K53 PolarHBondContact O-N 2.94Å; K53-G70 PolarHBondContact N-O 2.86Å; K53-E72 HydrophobicContact CG-CB 3.74Å
54	F	87.8	Confident	79.7	Confident	11 Å²	11	63.4 Å²	63.4	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143.7	177	168.4	-97	0	0	0	110.6	C21 F22 L26 I58 V69 G70 L96	C21-F54 HydrophobicContact CB-CD1 4.48Å; C21-F54 HydrophobicContact CB-CD2 4.42Å; C21-F54 HydrophobicContact CB-CE1 4.4Å; C21-F54 HydrophobicContact CB-CE2 4.33Å; C21-F54 HydrophobicContact CB-CG 4.48Å; C21-F54 HydrophobicContact CB-CZ 4.31Å; C21-F54 WeakPolarHBondContact O-CD2 3.37Å; C21-F54 WeakPolarHBondContact O-CE2 3.41Å; F22-F54 HydrophobicContact CD1-CB 4.48Å; F22-F54 HydrophobicContact CD2-CB 4.28Å; F22-F54 HydrophobicContact CE2-CB 4.48Å; F22-F54 HydrophobicContact CG-CB 4.3Å; L26-F54 HydrophobicContact CD1-CE2 3.92Å; F54-I58 HydrophobicContact CE1-CD1 3.92Å; F54-I58 HydrophobicContact CE1-CG1 4.02Å; F54-I58 HydrophobicContact CZ-CD1 4.45Å; F54-I58 HydrophobicContact CZ-CG1 4.24Å; F54-V69 CarbonylContact O-C 3.54Å; F54-V69 WeakPolarHBondContact O-CA 3.46Å; F54-G70 PolarHBondContact N-O 3.09Å; F54-G70 VanDerWaalsContact N-O 3.13Å; F54-G70 PolarHBondContact O-N 3.06Å; F54-L96 HydrophobicContact CD1-CD2 3.91Å; F54-L96 HydrophobicContact CE1-CD2 4.19Å
55	I	86	Confident	78.9	Confident	23 Å²	23	68.1 Å²	68.1	12%	0.118	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	119	169.2	-57.6	177	0	0	0	105.9	Y31 M34 L38 V52 L67 V69	Y31-I55 HydrophobicContact CD2-CB 4.16Å; Y31-I55 HydrophobicContact CD2-CG2 3.44Å; Y31-I55 VanDerWaalsContact CD2-CG2 3.44Å; Y31-I55 HydrophobicContact CE2-CB 4.44Å; Y31-I55 HydrophobicContact CE2-CG2 3.98Å; Y31-I55 WeakPolarHBondContact CE2-O 3.36Å; Y31-I55 HydrophobicContact CG-CG2 3.97Å; M34-I55 HydrophobicContact CG-CG2 3.72Å; M34-I55 HydrophobicContact SD-CG2 4.03Å; L38-I55 HydrophobicContact CD2-CG1 4.26Å; V52-I55 HydrophobicContact CG1-CD1 3.99Å; V52-I55 HydrophobicContact CG1-CG1 3.76Å; I55-L67 HydrophobicContact CG2-CD1 4.31Å; I55-V69 HydrophobicContact CG1-CG1 4.46Å
56	G	81.6	Confident	78.3	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	164.2	178.7	0	0	0	0	0	114.8	L67 L68	G56-L67 VanDerWaalsContact C-CD1 3.46Å; G56-L68 PolarHBondContact N-O 3.07Å; G56-L68 PolarHBondContact O-N 3.43Å
57	P	79.5	Confident	78.3	Confident	62 Å²	62	61.6 Å²	61.6	40%	0.403	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	136	171.6	29.3	-34.4	0	0	0	109.4	Y31 N65 I66	Y31-P57 WeakPolarHBondContact OH-CD 3.23Å; P57-N65 HydrophobicContact CB-CB 4.16Å; P57-I66 CarbonylContact C-O 3.17Å; P57-I66 WeakPolarHBondContact CA-O 2.95Å
58	I	75.1	Confident	78.2	Confident	11 Å²	11	54.7 Å²	54.7	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.5	168.4	-63.5	-164.3	0	0	0	107.2	F54 F60 N65 I66 L68 L96	F54-I58 HydrophobicContact CE1-CD1 3.92Å; F54-I58 HydrophobicContact CE1-CG1 4.02Å; F54-I58 HydrophobicContact CZ-CD1 4.45Å; F54-I58 HydrophobicContact CZ-CG1 4.24Å; I58-F60 HydrophobicContact CB-CE2 4.18Å; I58-F60 HydrophobicContact CG2-CD2 4.35Å; I58-F60 HydrophobicContact CG2-CE1 4.44Å; I58-F60 HydrophobicContact CG2-CE2 3.89Å; I58-F60 HydrophobicContact CG2-CZ 3.95Å; I58-F60 PolarHBondContact O-N 3.15Å; I58-N65 WeakPolarHBondContact O-CA 3.48Å; I58-I66 PolarHBondContact N-O 3.09Å; I58-I66 PolarHBondContact O-N 2.64Å; I58-L68 HydrophobicContact CB-CD1 4.17Å; I58-L68 HydrophobicContact CD1-CB 4.25Å; I58-L68 HydrophobicContact CD1-CD1 4.09Å; I58-L68 HydrophobicContact CG1-CB 4.38Å; I58-L68 HydrophobicContact CG1-CD1 4.37Å; I58-L96 HydrophobicContact CD1-CB 4.5Å; I58-L96 HydrophobicContact CD1-CD1 3.34Å; I58-L96 HydrophobicContact CD1-CD2 3.48Å; I58-L96 VanDerWaalsContact CD1-CD2 3.48Å; I58-L96 HydrophobicContact CD1-CG 3.92Å
59	Q	70.9	Confident	78.1	Confident	116 Å²	116	53 Å²	53	54%	0.542	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	110.8	178.4	-162.7	165.6	-6.8	0	0	108.2	N63 I64 N65	Q59-N63 PolarHBondContact NE2-OD1 2.94Å; Q59-I64 WeakPolarHBondContact CA-O 3.15Å; Q59-N65 WeakPolarHBondContact CA-OD1 3.42Å; Q59-N65 WeakPolarHBondContact CB-OD1 3.45Å; Q59-N65 VanDerWaalsContact CG-OD1 3.23Å; Q59-N65 WeakPolarHBondContact CG-OD1 3.39Å
60	F	65.8	Low	78	Confident	18 Å²	18	50.5 Å²	50.5	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	175.7	168.8	-68.3	-82.6	0	0	0	109.9	I58 I64 I66 L68 Y85 I140	I58-F60 HydrophobicContact CB-CE2 4.18Å; I58-F60 HydrophobicContact CG2-CD2 4.35Å; I58-F60 HydrophobicContact CG2-CE1 4.44Å; I58-F60 HydrophobicContact CG2-CE2 3.89Å; I58-F60 HydrophobicContact CG2-CZ 3.95Å; I58-F60 PolarHBondContact O-N 3.15Å; F60-I64 PolarHBondContact N-O 2.69Å; F60-I66 HydrophobicContact CD2-CB 4.24Å; F60-I66 HydrophobicContact CD2-CD1 3.67Å; F60-I66 HydrophobicContact CD2-CG1 3.92Å; F60-I66 HydrophobicContact CE2-CB 4.05Å; F60-I66 HydrophobicContact CE2-CD1 3.84Å; F60-I66 HydrophobicContact CE2-CG1 4.16Å; F60-L68 HydrophobicContact CE2-CD1 3.8Å; F60-L68 HydrophobicContact CZ-CD1 3.73Å; F60-Y85 AromaticContact CE1-CD1 3.84Å; F60-Y85 HydrophobicContact CE1-CD1 3.84Å; F60-Y85 HydrophobicContact CE1-CE1 4.04Å; F60-Y85 HydrophobicContact CE1-CG 4.17Å; F60-I140 HydrophobicContact CD1-CG2 4.32Å; F60-I140 HydrophobicContact CG-CG2 4.34Å
61	K	54.1	Low	77.9	Confident	173 Å²	173	50.5 Å²	50.5	75%	0.752	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	146.4	172.1	-72.2	-174.3	176	-177.9	0	110
62	H	60.7	Low	78	Confident	159 Å²	159	51 Å²	51	74%	0.736	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	26.8	-178	-45.4	-71.9	0	0	0	116.6	I64	H62-I64 HydrophobicContact CB-CD1 4.42Å; H62-I64 PolarHBondContact O-N 2.8Å
63	N	59.8	Low	78.1	Confident	127 Å²	127	51.1 Å²	51.1	68%	0.679	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	25.5	176.8	-68.1	-16.4	0	0	0	114.6	Q59	Q59-N63 PolarHBondContact NE2-OD1 2.94Å
64	I	61.5	Low	78.4	Confident	50 Å²	50	51.5 Å²	51.5	26%	0.256	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.5	178.9	-61.3	176.2	0	0	0	108.5	Q59 F60 H62 I66 D138	Q59-I64 WeakPolarHBondContact CA-O 3.15Å; F60-I64 PolarHBondContact N-O 2.69Å; H62-I64 HydrophobicContact CB-CD1 4.42Å; H62-I64 PolarHBondContact O-N 2.8Å; I64-I66 HydrophobicContact CG2-CD1 4.41Å; I64-I66 HydrophobicContact CG2-CG1 3.97Å; I64-D138 WeakPolarHBondContact CD1-OD2 3.49Å
65	N	70.3	Confident	78.6	Confident	99 Å²	99	53.2 Å²	53.2	53%	0.529	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.8	176.1	-72.9	-32.3	0	0	0	110	P57 I58 Q59	P57-N65 HydrophobicContact CB-CB 4.16Å; I58-N65 WeakPolarHBondContact O-CA 3.48Å; Q59-N65 WeakPolarHBondContact CA-OD1 3.42Å; Q59-N65 WeakPolarHBondContact CB-OD1 3.45Å; Q59-N65 VanDerWaalsContact CG-OD1 3.23Å; Q59-N65 WeakPolarHBondContact CG-OD1 3.39Å
66	I	73.7	Confident	79	Confident	22 Å²	22	59.3 Å²	59.3	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.2	176.4	-53.3	-178.6	0	0	0	108.8	P57 I58 F60 I64 L68 L141 L144	P57-I66 CarbonylContact C-O 3.17Å; P57-I66 WeakPolarHBondContact CA-O 2.95Å; I58-I66 PolarHBondContact N-O 3.09Å; I58-I66 PolarHBondContact O-N 2.64Å; F60-I66 HydrophobicContact CD2-CB 4.24Å; F60-I66 HydrophobicContact CD2-CD1 3.67Å; F60-I66 HydrophobicContact CD2-CG1 3.92Å; F60-I66 HydrophobicContact CE2-CB 4.05Å; F60-I66 HydrophobicContact CE2-CD1 3.84Å; F60-I66 HydrophobicContact CE2-CG1 4.16Å; I64-I66 HydrophobicContact CG2-CD1 4.41Å; I64-I66 HydrophobicContact CG2-CG1 3.97Å; I66-L68 HydrophobicContact CB-CG 4.47Å; I66-L68 HydrophobicContact CG2-CD2 3.84Å; I66-L68 HydrophobicContact CG2-CG 4.09Å; I66-L68 PolarHBondContact O-N 3.03Å; I66-L68 VanDerWaalsContact O-N 3.15Å; I66-L141 HydrophobicContact CD1-CD1 3.63Å; I66-L141 HydrophobicContact CG1-CD1 4.08Å; I66-L144 HydrophobicContact CD1-CD1 3.43Å; I66-L144 VanDerWaalsContact CD1-CD1 3.43Å; I66-L144 HydrophobicContact CG2-CD1 4.39Å
67	L	80.6	Confident	79.3	Confident	66 Å²	66	59.9 Å²	59.9	35%	0.346	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	109.4	173.6	-176.6	61.6	0	0	0	109.8	Y31 M34 I55 G56	Y31-L67 HydrophobicContact CD1-CD1 3.8Å; Y31-L67 HydrophobicContact CD1-CD2 4.12Å; Y31-L67 HydrophobicContact CE1-CD1 3.63Å; Y31-L67 HydrophobicContact CG-CD1 4.34Å; M34-L67 HydrophobicContact CE-CD2 3.45Å; M34-L67 VanDerWaalsContact CE-CD2 3.45Å; M34-L67 HydrophobicContact CE-CG 3.81Å; M34-L67 HydrophobicContact CG-CD2 4.19Å; M34-L67 HydrophobicContact SD-CD2 4.49Å; I55-L67 HydrophobicContact CG2-CD1 4.31Å; G56-L67 VanDerWaalsContact C-CD1 3.46Å
68	L	85.7	Confident	79.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	158.3	178.3	-64.4	-179.4	0	0	0	111	G56 I58 F60 I66 L96 P98	G56-L68 PolarHBondContact N-O 3.07Å; G56-L68 PolarHBondContact O-N 3.43Å; I58-L68 HydrophobicContact CB-CD1 4.17Å; I58-L68 HydrophobicContact CD1-CB 4.25Å; I58-L68 HydrophobicContact CD1-CD1 4.09Å; I58-L68 HydrophobicContact CG1-CB 4.38Å; I58-L68 HydrophobicContact CG1-CD1 4.37Å; F60-L68 HydrophobicContact CE2-CD1 3.8Å; F60-L68 HydrophobicContact CZ-CD1 3.73Å; I66-L68 HydrophobicContact CB-CG 4.47Å; I66-L68 HydrophobicContact CG2-CD2 3.84Å; I66-L68 HydrophobicContact CG2-CG 4.09Å; I66-L68 PolarHBondContact O-N 3.03Å; I66-L68 VanDerWaalsContact O-N 3.15Å; L68-L96 HydrophobicContact CD1-CB 4.2Å; L68-P98 HydrophobicContact CD2-CG 4.1Å
69	V	87.9	Confident	79.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.7	174.4	-177.1	0	0	0	0	107.6	M34 V52 F54 I55 I71 L96 V97 F102	M34-V69 HydrophobicContact CE-CG2 4.42Å; M34-V69 HydrophobicContact SD-CG2 3.73Å; V52-V69 HydrophobicContact CB-CG1 4.43Å; V52-V69 HydrophobicContact CG1-CG1 3.7Å; V52-V69 HydrophobicContact CG2-CG1 4.01Å; F54-V69 CarbonylContact O-C 3.54Å; F54-V69 WeakPolarHBondContact O-CA 3.46Å; I55-V69 HydrophobicContact CG1-CG1 4.46Å; V69-I71 HydrophobicContact CG1-CG1 4.14Å; V69-L96 WeakPolarHBondContact O-CA 3.37Å; V69-V97 PolarHBondContact N-O 3.21Å; V69-V97 PolarHBondContact O-N 2.83Å; V69-F102 HydrophobicContact CB-CE1 3.78Å; V69-F102 HydrophobicContact CB-CZ 4.29Å; V69-F102 HydrophobicContact CG1-CE1 3.8Å; V69-F102 HydrophobicContact CG1-CZ 4.03Å; V69-F102 HydrophobicContact CG2-CE1 3.89Å; V69-F102 HydrophobicContact CG2-CZ 4.05Å
70	G	91.3	Very high	79.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.3	171.5	0	0	0	0	0	110.3	F22 K53 F54 I95	F22-G70 VanDerWaalsContact CZ-C 3.46Å; K53-G70 PolarHBondContact N-O 2.86Å; F54-G70 PolarHBondContact N-O 3.09Å; F54-G70 VanDerWaalsContact N-O 3.13Å; F54-G70 PolarHBondContact O-N 3.06Å; G70-I95 CarbonylContact C-O 3.54Å; G70-I95 VanDerWaalsContact CA-O 3.31Å; G70-I95 WeakPolarHBondContact CA-O 2.77Å
71	I	93.1	Very high	80.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.6	179.5	-54.4	169.9	0	0	0	108.1	V42 I51 V69 L73 R94 I95 V97 F102	V42-I71 HydrophobicContact CG2-CD1 3.85Å; V42-I71 HydrophobicContact CG2-CG1 4.11Å; V42-I71 HydrophobicContact CG2-CG2 3.73Å; I51-I71 WeakPolarHBondContact O-CA 3.48Å; V69-I71 HydrophobicContact CG1-CG1 4.14Å; I71-L73 HydrophobicContact CB-CD2 4.5Å; I71-L73 HydrophobicContact CG2-CD2 3.73Å; I71-L73 HydrophobicContact CG2-CG 4.45Å; I71-R94 CarbonylContact O-C 3.49Å; I71-R94 WeakPolarHBondContact O-CA 3.24Å; I71-I95 HydrophobicContact CB-CG2 4.06Å; I71-I95 PolarHBondContact N-O 2.84Å; I71-I95 PolarHBondContact O-N 2.87Å; I71-V97 HydrophobicContact CD1-CG2 3.55Å; I71-V97 HydrophobicContact CG1-CG2 4.3Å; I71-F102 HydrophobicContact CD1-CB 4.24Å; I71-F102 HydrophobicContact CD1-CD1 3.59Å; I71-F102 HydrophobicContact CD1-CE1 4.16Å; I71-F102 HydrophobicContact CD1-CG 4.08Å
72	E	93.2	Very high	80.7	Confident	58 Å²	58	59.4 Å²	59.4	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.3	165.4	-169.1	170.5	104.3	0	0	108.1	G50 I51 K53 R94	G50-E72 CarbonylContact C-O 3.47Å; G50-E72 WeakPolarHBondContact CA-O 2.91Å; I51-E72 PolarHBondContact N-O 2.88Å; I51-E72 PolarHBondContact O-N 3.35Å; K53-E72 HydrophobicContact CG-CB 3.74Å; E72-R94 HydrophobicContact CB-CG 4.27Å; E72-R94 HydrophobicContact CG-CG 4.19Å; E72-R94 IonicContact OE2-CZ 3.42Å; E72-R94 IonicContact OE2-NE 2.93Å; E72-R94 PolarHBondContact OE2-NE 2.92Å; E72-R94 IonicContact OE2-NH2 2.87Å; E72-R94 PolarHBondContact OE2-NH2 3.17Å
73	L	94.1	Very high	80.9	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	146.8	-173	-59.8	173.3	0	0	0	111.3	L44 I71 S75 I77 Y88 K93 I95	L44-L73 HydrophobicContact CB-CD2 4.31Å; L44-L73 HydrophobicContact CD2-CD1 4.23Å; L44-L73 HydrophobicContact CD2-CD2 4.03Å; I71-L73 HydrophobicContact CB-CD2 4.5Å; I71-L73 HydrophobicContact CG2-CD2 3.73Å; I71-L73 HydrophobicContact CG2-CG 4.45Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 WeakPolarHBondContact CB-O 3.21Å; L73-I77 HydrophobicContact CD1-CD1 4Å; L73-I77 HydrophobicContact CD1-CG1 4.12Å; L73-I77 HydrophobicContact CD1-CG2 3.74Å; L73-Y88 HydrophobicContact CD1-CE2 4.13Å; L73-K93 HydrophobicContact CB-CB 4.33Å; L73-K93 WeakPolarHBondContact CB-O 3.2Å; L73-K93 PolarHBondContact N-O 3.04Å; L73-K93 WeakPolarHBondContact O-CB 3.35Å; L73-K93 PolarHBondContact O-NZ 2.88Å; L73-I95 HydrophobicContact CD1-CG2 4.04Å; L73-I95 HydrophobicContact CD2-CG2 4.41Å; L73-I95 HydrophobicContact CG-CG2 4.23Å
74	D	94.1	Very high	81.3	Confident	83 Å²	83	57 Å²	57	44%	0.444	29%	0.294	S	S	.	.	S	Bend	trans	-70.9	-35.4	175.9	-63.4	-9.8	0	0	0	110.9	R41 D49 K93	R41-D74 IonicContact CZ-OD1 3.15Å; R41-D74 IonicContact CZ-OD2 3.9Å; R41-D74 IonicContact NH1-OD1 2.76Å; R41-D74 PolarHBondContact NH1-OD1 3.18Å; R41-D74 IonicContact NH1-OD2 3.94Å; R41-D74 PolarHBondContact NH1-OD2 3.21Å; R41-D74 IonicContact NH2-OD2 2.67Å; R41-D74 PolarHBondContact NH2-OD2 3.07Å; D49-D74 PolarHBondContact O-N 3.29Å; D74-K93 PolarHBondContact O-NZ 2.63Å
75	S	92.7	Very high	81.8	Confident	47 Å²	47	57.5 Å²	57.5	33%	0.329	29%	0.293	S	S	.	.	S	Bend	trans	-116	156.7	-177.6	59.7	0	0	0	0	112.4	Y48 L73	Y48-S75 WeakPolarHBondContact CD1-OG 3.33Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 WeakPolarHBondContact CB-O 3.21Å
76	Y	92.6	Very high	82.3	Confident	151 Å²	151	55.7 Å²	55.7	59%	0.592	28%	0.283	S	S	*	.			trans	-68.1	149.4	168.9	-64.6	-89.4	0	0	0	111.3	Y88 D90 K93	Y76-Y88 WeakPolarHBondContact CA-OH 3.07Å; Y76-D90 VanDerWaalsContact CE1-O 3.25Å; Y76-D90 WeakPolarHBondContact CE1-O 3.4Å; Y76-K93 HydrophobicContact CD1-CD 4.16Å; Y76-K93 HydrophobicContact CD1-CG 3.75Å; Y76-K93 HydrophobicContact CD2-CD 4.03Å; Y76-K93 HydrophobicContact CE1-CD 4.07Å; Y76-K93 HydrophobicContact CE1-CG 3.71Å; Y76-K93 HydrophobicContact CE2-CD 3.95Å; Y76-K93 HydrophobicContact CE2-CG 4.49Å; Y76-K93 HydrophobicContact CG-CD 4.13Å; Y76-K93 HydrophobicContact CG-CG 4.16Å
77	I	88.5	Confident	82.9	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.062	28%	0.281	C	S	.	.			trans	-121.4	165.1	169.4	62.1	168.1	0	0	0	110.2	W45 Y48 L73 Y88 I95	W45-I77 HydrophobicContact CH2-CD1 4.41Å; W45-I77 HydrophobicContact CZ3-CD1 4.18Å; Y48-I77 HydrophobicContact CD1-CG2 3.58Å; Y48-I77 HydrophobicContact CD2-CG2 3.85Å; Y48-I77 HydrophobicContact CE1-CG2 3.62Å; Y48-I77 HydrophobicContact CE2-CG2 3.91Å; Y48-I77 HydrophobicContact CG-CG2 3.67Å; L73-I77 HydrophobicContact CD1-CD1 4Å; L73-I77 HydrophobicContact CD1-CG1 4.12Å; L73-I77 HydrophobicContact CD1-CG2 3.74Å; I77-Y88 HydrophobicContact CB-CE1 4.5Å; I77-Y88 HydrophobicContact CD1-CD1 4.1Å; I77-Y88 HydrophobicContact CD1-CD2 3.75Å; I77-Y88 HydrophobicContact CD1-CE1 4.35Å; I77-Y88 HydrophobicContact CD1-CE2 4.08Å; I77-Y88 HydrophobicContact CD1-CG 3.78Å; I77-Y88 HydrophobicContact CG1-CD1 3.6Å; I77-Y88 HydrophobicContact CG1-CD2 3.72Å; I77-Y88 HydrophobicContact CG1-CE1 3.41Å; I77-Y88 VanDerWaalsContact CG1-CE1 3.41Å; I77-Y88 HydrophobicContact CG1-CE2 3.59Å; I77-Y88 HydrophobicContact CG1-CG 3.74Å; I77-Y88 VanDerWaalsContact CG1-CZ 3.46Å; I77-Y88 PolarHBondContact N-OH 2.96Å; I77-Y88 VanDerWaalsContact O-CE1 3.28Å; I77-Y88 WeakPolarHBondContact O-CE1 3.45Å; I77-I95 HydrophobicContact CD1-CD1 3.74Å
78	S	82.3	Confident	83.3	Confident	93 Å²	93	52.3 Å²	52.3	65%	0.65	27%	0.266	S	S	*	.			trans	-63.7	148	166.5	35.5	0	0	0	0	110.5	C80	S78-C80 PolarHBondContact O-N 2.76Å
79	R	76.1	Confident	83.5	Confident	168 Å²	168	52.7 Å²	52.7	63%	0.634	27%	0.268	S	S	*	.			trans	-49.1	124.1	178.8	-172.8	178	179.1	170.7	-2.4	110.4	T81 N86	R79-T81 HydrophobicContact CG-CG2 4.07Å; R79-N86 VanDerWaalsContact CZ-OD1 3.26Å; R79-N86 PolarHBondContact NE-OD1 3.39Å; R79-N86 PolarHBondContact NH2-ND2 3.31Å; R79-N86 PolarHBondContact NH2-OD1 3.08Å
80	C	77.9	Confident	83.6	Confident	27 Å²	27	56.5 Å²	56.5	18%	0.182	29%	0.288	C	S	.	.			trans	-110.7	118.7	178	-171.5	0	0	0	0	109	W45 S78 L87 I95	W45-C80 HydrophobicContact CH2-CB 4.48Å; S78-C80 PolarHBondContact O-N 2.76Å; C80-L87 PolarHBondContact O-N 3.2Å; C80-I95 HydrophobicContact CB-CD1 4.24Å
81	T	72.3	Confident	83.5	Confident	71 Å²	71	63.4 Å²	63.4	44%	0.436	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.2	178.9	59.7	0	0	0	0	111.2	R79 Y85 N86	R79-T81 HydrophobicContact CG-CG2 4.07Å; T81-Y85 CarbonylContact C-O 3.53Å; T81-Y85 WeakPolarHBondContact CA-O 3.17Å; T81-N86 WeakPolarHBondContact CG2-OD1 3.16Å
82	L	67.3	Low	83.4	Confident	11 Å²	11	65.5 Å²	65.5	6%	0.058	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	112	175.3	179.3	74.7	0	0	0	108.2	N84 Y85 L87 I140 Q143 L144	L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 2.91Å; L82-Y85 PolarHBondContact N-O 2.81Å; L82-Y85 VanDerWaalsContact O-CB 3.24Å; L82-Y85 WeakPolarHBondContact O-CB 3.38Å; L82-Y85 PolarHBondContact O-N 2.85Å; L82-L87 HydrophobicContact CB-CD1 3.62Å; L82-L87 HydrophobicContact CB-CG 4.04Å; L82-L87 HydrophobicContact CD2-CD1 4.24Å; L82-I140 HydrophobicContact CD2-CB 4.39Å; L82-I140 HydrophobicContact CD2-CG2 3.45Å; L82-I140 VanDerWaalsContact CD2-CG2 3.45Å; L82-I140 HydrophobicContact CG-CG2 4.04Å; L82-Q143 HydrophobicContact CD1-CB 3.4Å; L82-Q143 HydrophobicContact CD1-CG 4.24Å; L82-Q143 VanDerWaalsContact CD1-OE1 3.28Å; L82-L144 HydrophobicContact CD1-CG 4.4Å; L82-L144 HydrophobicContact CD2-CD1 3.51Å; L82-L144 HydrophobicContact CD2-CD2 3.76Å; L82-L144 HydrophobicContact CD2-CG 3.45Å; L82-L144 VanDerWaalsContact CD2-CG 3.45Å
83	N	64.4	Low	83.4	Confident	85 Å²	85	65.4 Å²	65.4	46%	0.455	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	51.7	-174.2	-157.5	24.6	0	0	0	113.1	Y85 I140	N83-Y85 PolarHBondContact O-N 2.94Å; N83-Y85 VanDerWaalsContact O-N 3.09Å; N83-I140 HydrophobicContact CB-CD1 3.93Å; N83-I140 HydrophobicContact CB-CG1 3.32Å; N83-I140 WeakPolarHBondContact ND2-CG1 3.28Å
84	N	68.8	Low	83.3	Confident	151 Å²	151	66.4 Å²	66.4	81%	0.807	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	1.7	-175.3	-58.8	-28	0	0	0	116.4	L82	L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 2.91Å
85	Y	71.6	Confident	83.2	Confident	61 Å²	61	62.5 Å²	62.5	24%	0.239	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.6	169.1	-168.4	-94.1	0	0	0	110	F60 T81 L82 N83 L87	F60-Y85 AromaticContact CE1-CD1 3.84Å; F60-Y85 HydrophobicContact CE1-CD1 3.84Å; F60-Y85 HydrophobicContact CE1-CE1 4.04Å; F60-Y85 HydrophobicContact CE1-CG 4.17Å; T81-Y85 CarbonylContact C-O 3.53Å; T81-Y85 WeakPolarHBondContact CA-O 3.17Å; L82-Y85 PolarHBondContact N-O 2.81Å; L82-Y85 VanDerWaalsContact O-CB 3.24Å; L82-Y85 WeakPolarHBondContact O-CB 3.38Å; L82-Y85 PolarHBondContact O-N 2.85Å; N83-Y85 PolarHBondContact O-N 2.94Å; N83-Y85 VanDerWaalsContact O-N 3.09Å; Y85-L87 HydrophobicContact CD1-CD2 3.87Å; Y85-L87 HydrophobicContact CE1-CD2 4.22Å; Y85-L87 PolarHBondContact O-N 3.23Å
86	N	79.8	Confident	83	Confident	60 Å²	60	60.2 Å²	60.2	32%	0.321	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121.8	173.3	-78.2	-27	0	0	0	109.2	I18 R79 T81	I18-N86 HydrophobicContact CD1-CB 4.37Å; I18-N86 WeakPolarHBondContact CD1-O 3.4Å; R79-N86 VanDerWaalsContact CZ-OD1 3.26Å; R79-N86 PolarHBondContact NE-OD1 3.39Å; R79-N86 PolarHBondContact NH2-ND2 3.31Å; R79-N86 PolarHBondContact NH2-OD1 3.08Å; T81-N86 WeakPolarHBondContact CG2-OD1 3.16Å
87	L	86.2	Confident	82.7	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.063	27%	0.269	C	S	.	.			trans	-93.7	-13.7	172.4	-67.2	177	0	0	0	112.1	I18 C80 L82 Y85 I95 L96	I18-L87 VanDerWaalsContact CD1-C 3.43Å; C80-L87 PolarHBondContact O-N 3.2Å; L82-L87 HydrophobicContact CB-CD1 3.62Å; L82-L87 HydrophobicContact CB-CG 4.04Å; L82-L87 HydrophobicContact CD2-CD1 4.24Å; Y85-L87 HydrophobicContact CD1-CD2 3.87Å; Y85-L87 HydrophobicContact CE1-CD2 4.22Å; Y85-L87 PolarHBondContact O-N 3.23Å; L87-I95 HydrophobicContact CB-CG1 4.45Å; L87-I95 CarbonylContact O-C 3.58Å; L87-I95 VanDerWaalsContact O-CA 3.23Å; L87-I95 WeakPolarHBondContact O-CA 3.31Å; L87-I95 WeakPolarHBondContact O-CG1 3.25Å; L87-L96 HydrophobicContact CD2-CB 4.31Å; L87-L96 PolarHBondContact O-N 2.85Å
88	Y	90.1	Very high	82.6	Confident	6 Å²	6	53.4 Å²	53.4	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.7	-176.3	178	-120.5	0	0	0	112.7	I18 L73 Y76 I77 D90 R94 I95	I18-Y88 WeakPolarHBondContact CD1-O 3.2Å; L73-Y88 HydrophobicContact CD1-CE2 4.13Å; Y76-Y88 WeakPolarHBondContact CA-OH 3.07Å; I77-Y88 HydrophobicContact CB-CE1 4.5Å; I77-Y88 HydrophobicContact CD1-CD1 4.1Å; I77-Y88 HydrophobicContact CD1-CD2 3.75Å; I77-Y88 HydrophobicContact CD1-CE1 4.35Å; I77-Y88 HydrophobicContact CD1-CE2 4.08Å; I77-Y88 HydrophobicContact CD1-CG 3.78Å; I77-Y88 HydrophobicContact CG1-CD1 3.6Å; I77-Y88 HydrophobicContact CG1-CD2 3.72Å; I77-Y88 HydrophobicContact CG1-CE1 3.41Å; I77-Y88 VanDerWaalsContact CG1-CE1 3.41Å; I77-Y88 HydrophobicContact CG1-CE2 3.59Å; I77-Y88 HydrophobicContact CG1-CG 3.74Å; I77-Y88 VanDerWaalsContact CG1-CZ 3.46Å; I77-Y88 PolarHBondContact N-OH 2.96Å; I77-Y88 VanDerWaalsContact O-CE1 3.28Å; I77-Y88 WeakPolarHBondContact O-CE1 3.45Å; Y88-D90 HydrophobicContact CE1-CB 4.4Å; Y88-D90 WeakPolarHBondContact CE1-OD1 3.46Å; Y88-R94 CarbonylContact C-O 3.58Å; Y88-R94 WeakPolarHBondContact CA-O 3.47Å; Y88-R94 VanDerWaalsContact CD2-O 3.23Å; Y88-R94 WeakPolarHBondContact CD2-O 3.5Å; Y88-I95 HydrophobicContact CD2-CB 3.97Å
89	C	89	Confident	82.7	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.054	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.5	173	173.3	0	0	0	0	108.8	C14 I18 Q91 M92 K93 R94	C14-C89 PolarHBondContact SG-SG 3.47Å; I18-C89 HydrophobicContact CB-CB 4.26Å; I18-C89 HydrophobicContact CD1-CB 3.98Å; I18-C89 HydrophobicContact CG2-CB 4.21Å; C89-Q91 PolarHBondContact O-N 3.49Å; C89-M92 PolarHBondContact O-N 3.42Å; C89-K93 VanDerWaalsContact O-CA 3.3Å; C89-K93 WeakPolarHBondContact O-CA 3.15Å; C89-K93 PolarHBondContact O-N 2.9Å; C89-R94 HydrophobicContact CB-CB 4.34Å; C89-R94 PolarHBondContact N-O 2.95Å; C89-R94 PolarHBondContact O-N 2.98Å; C89-R94 VanDerWaalsContact O-N 3.09Å
90	D	90.8	Very high	83	Confident	79 Å²	79	47.4 Å²	47.4	42%	0.422	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-46.2	177	-76.1	-61.4	0	0	0	112.4	Y76 Y88 M92 K93	Y76-D90 VanDerWaalsContact CE1-O 3.25Å; Y76-D90 WeakPolarHBondContact CE1-O 3.4Å; Y88-D90 HydrophobicContact CE1-CB 4.4Å; Y88-D90 WeakPolarHBondContact CE1-OD1 3.46Å; D90-M92 PolarHBondContact O-N 2.92Å; D90-M92 VanDerWaalsContact O-N 3.16Å; D90-K93 PolarHBondContact O-N 3.08Å
91	Q	89.8	Confident	83.3	Confident	145 Å²	145	49 Å²	49	68%	0.678	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.7	-175.2	-71.7	-177.1	-35.6	0	0	113.3	C14 C89	C14-Q91 HydrophobicContact CB-CB 4.39Å; C14-Q91 PolarHBondContact SG-OE1 3.12Å; C89-Q91 PolarHBondContact O-N 3.49Å
92	M	89.9	Confident	84	Confident	44 Å²	44	45.7 Å²	45.7	22%	0.217	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-1	-176.6	-63.1	-56.2	-50.6	0	0	113.2	S12 C14 C19 C89 D90 R94	S12-M92 WeakPolarHBondContact CB-SD 3.31Å; C14-M92 HydrophobicContact CB-CG 3.57Å; C14-M92 HydrophobicContact CB-SD 4.27Å; C19-M92 WeakPolarHBondContact SG-CG 3.47Å; C89-M92 PolarHBondContact O-N 3.42Å; D90-M92 PolarHBondContact O-N 2.92Å; D90-M92 VanDerWaalsContact O-N 3.16Å; M92-R94 HydrophobicContact CB-CB 4.33Å; M92-R94 HydrophobicContact CB-CG 3.83Å; M92-R94 PolarHBondContact O-N 2.94Å
93	K	94	Very high	85.1	Confident	57 Å²	57	48.1 Å²	48.1	25%	0.248	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	42.4	-170.9	-62.1	177.7	-79.3	151.2	0	112.3	L73 D74 Y76 C89 D90	L73-K93 HydrophobicContact CB-CB 4.33Å; L73-K93 WeakPolarHBondContact CB-O 3.2Å; L73-K93 PolarHBondContact N-O 3.04Å; L73-K93 WeakPolarHBondContact O-CB 3.35Å; L73-K93 PolarHBondContact O-NZ 2.88Å; D74-K93 PolarHBondContact O-NZ 2.63Å; Y76-K93 HydrophobicContact CD1-CD 4.16Å; Y76-K93 HydrophobicContact CD1-CG 3.75Å; Y76-K93 HydrophobicContact CD2-CD 4.03Å; Y76-K93 HydrophobicContact CE1-CD 4.07Å; Y76-K93 HydrophobicContact CE1-CG 3.71Å; Y76-K93 HydrophobicContact CE2-CD 3.95Å; Y76-K93 HydrophobicContact CE2-CG 4.49Å; Y76-K93 HydrophobicContact CG-CD 4.13Å; Y76-K93 HydrophobicContact CG-CG 4.16Å; C89-K93 VanDerWaalsContact O-CA 3.3Å; C89-K93 WeakPolarHBondContact O-CA 3.15Å; C89-K93 PolarHBondContact O-N 2.9Å; D90-K93 PolarHBondContact O-N 3.08Å
94	R	91.9	Very high	86.2	Confident	24 Å²	24	47.7 Å²	47.7	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.1	-175.5	-75.2	174.7	-178.4	172.6	0.8	111.2	I18 F22 I71 E72 Y88 C89 M92	I18-R94 HydrophobicContact CG2-CB 4.11Å; F22-R94 VanDerWaalsContact CD1-CD 3.47Å; F22-R94 HydrophobicContact CD1-CG 3.97Å; F22-R94 HydrophobicContact CE1-CB 4Å; F22-R94 HydrophobicContact CE1-CG 3.56Å; F22-R94 HydrophobicContact CE2-CB 4.02Å; F22-R94 HydrophobicContact CE2-CG 4.35Å; F22-R94 HydrophobicContact CZ-CB 3.65Å; F22-R94 HydrophobicContact CZ-CG 3.77Å; I71-R94 CarbonylContact O-C 3.49Å; I71-R94 WeakPolarHBondContact O-CA 3.24Å; E72-R94 HydrophobicContact CB-CG 4.27Å; E72-R94 HydrophobicContact CG-CG 4.19Å; E72-R94 IonicContact OE2-CZ 3.42Å; E72-R94 IonicContact OE2-NE 2.93Å; E72-R94 PolarHBondContact OE2-NE 2.92Å; E72-R94 IonicContact OE2-NH2 2.87Å; E72-R94 PolarHBondContact OE2-NH2 3.17Å; Y88-R94 CarbonylContact C-O 3.58Å; Y88-R94 WeakPolarHBondContact CA-O 3.47Å; Y88-R94 VanDerWaalsContact CD2-O 3.23Å; Y88-R94 WeakPolarHBondContact CD2-O 3.5Å; C89-R94 HydrophobicContact CB-CB 4.34Å; C89-R94 PolarHBondContact N-O 2.95Å; C89-R94 PolarHBondContact O-N 2.98Å; C89-R94 VanDerWaalsContact O-N 3.09Å; M92-R94 HydrophobicContact CB-CB 4.33Å; M92-R94 HydrophobicContact CB-CG 3.83Å; M92-R94 PolarHBondContact O-N 2.94Å
95	I	91.5	Very high	86.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.9	176.2	-165.8	178.8	0	0	0	111.6	L44 W45 G70 I71 L73 I77 C80 L87 Y88 V97	L44-I95 HydrophobicContact CD2-CD1 4.08Å; L44-I95 HydrophobicContact CD2-CG2 3.94Å; W45-I95 HydrophobicContact CH2-CD1 3.96Å; W45-I95 HydrophobicContact CZ2-CD1 4.34Å; G70-I95 CarbonylContact C-O 3.54Å; G70-I95 VanDerWaalsContact CA-O 3.31Å; G70-I95 WeakPolarHBondContact CA-O 2.77Å; I71-I95 HydrophobicContact CB-CG2 4.06Å; I71-I95 PolarHBondContact N-O 2.84Å; I71-I95 PolarHBondContact O-N 2.87Å; L73-I95 HydrophobicContact CD1-CG2 4.04Å; L73-I95 HydrophobicContact CD2-CG2 4.41Å; L73-I95 HydrophobicContact CG-CG2 4.23Å; I77-I95 HydrophobicContact CD1-CD1 3.74Å; C80-I95 HydrophobicContact CB-CD1 4.24Å; L87-I95 HydrophobicContact CB-CG1 4.45Å; L87-I95 CarbonylContact O-C 3.58Å; L87-I95 VanDerWaalsContact O-CA 3.23Å; L87-I95 WeakPolarHBondContact O-CA 3.31Å; L87-I95 WeakPolarHBondContact O-CG1 3.25Å; Y88-I95 HydrophobicContact CD2-CB 3.97Å; I95-V97 HydrophobicContact CD1-CG1 3.52Å; I95-V97 HydrophobicContact CG1-CG1 3.74Å; I95-V97 HydrophobicContact CG2-CG1 4.17Å
96	L	88.7	Confident	86.5	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.4	168.2	-66.8	166.7	0	0	0	109.8	I18 F22 F54 I58 L68 V69 L87	I18-L96 HydrophobicContact CB-CD1 4.45Å; I18-L96 HydrophobicContact CG1-CD1 4.2Å; I18-L96 HydrophobicContact CG2-CD1 4.25Å; I18-L96 HydrophobicContact CG2-CG 4.16Å; F22-L96 HydrophobicContact CE2-CD2 4.07Å; F54-L96 HydrophobicContact CD1-CD2 3.91Å; F54-L96 HydrophobicContact CE1-CD2 4.19Å; I58-L96 HydrophobicContact CD1-CB 4.5Å; I58-L96 HydrophobicContact CD1-CD1 3.34Å; I58-L96 HydrophobicContact CD1-CD2 3.48Å; I58-L96 VanDerWaalsContact CD1-CD2 3.48Å; I58-L96 HydrophobicContact CD1-CG 3.92Å; L68-L96 HydrophobicContact CD1-CB 4.2Å; V69-L96 WeakPolarHBondContact O-CA 3.37Å; L87-L96 HydrophobicContact CD2-CB 4.31Å; L87-L96 PolarHBondContact O-N 2.85Å
97	V	87	Confident	85.1	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.7	-178.8	-64.1	0	0	0	0	112.6	L44 V69 I71 I95 F101 F102	L44-V97 HydrophobicContact CD1-CB 4.45Å; L44-V97 HydrophobicContact CD1-CG1 3.96Å; L44-V97 HydrophobicContact CD1-CG2 4.14Å; V69-V97 PolarHBondContact N-O 3.21Å; V69-V97 PolarHBondContact O-N 2.83Å; I71-V97 HydrophobicContact CD1-CG2 3.55Å; I71-V97 HydrophobicContact CG1-CG2 4.3Å; I95-V97 HydrophobicContact CD1-CG1 3.52Å; I95-V97 HydrophobicContact CG1-CG1 3.74Å; I95-V97 HydrophobicContact CG2-CG1 4.17Å; V97-F101 HydrophobicContact CB-CB 4.08Å; V97-F101 HydrophobicContact CB-CD2 4.23Å; V97-F101 HydrophobicContact CB-CG 4.41Å; V97-F101 HydrophobicContact CG1-CD2 4.24Å; V97-F101 HydrophobicContact CG2-CB 4.38Å; V97-F102 HydrophobicContact CG2-CD1 3.99Å; V97-F102 HydrophobicContact CG2-CE1 4.38Å
98	P	85.6	Confident	83	Confident	18 Å²	18	50 Å²	50	12%	0.117	29%	0.291	C	S	.	.			trans	-57.3	148.8	163.2	-25.5	36.4	0	0	0	111	L68 T100 F101 L144	L68-P98 HydrophobicContact CD2-CG 4.1Å; P98-T100 WeakPolarHBondContact CB-OG1 3.37Å; P98-T100 PolarHBondContact O-N 3.41Å; P98-T100 VanDerWaalsContact O-N 3.09Å; P98-F101 HydrophobicContact CB-CD1 4.06Å; P98-F101 HydrophobicContact CB-CE1 4.25Å; P98-F101 HydrophobicContact CG-CD1 4.18Å; P98-F101 HydrophobicContact CG-CE1 4Å; P98-F101 HydrophobicContact CG-CZ 4.24Å; P98-F101 PolarHBondContact O-N 2.6Å; P98-F101 VanDerWaalsContact O-N 3.07Å; P98-L144 HydrophobicContact CG-CB 4.49Å; P98-L144 HydrophobicContact CG-CD2 3.49Å; P98-L144 VanDerWaalsContact CG-CD2 3.49Å
99	S	83.3	Confident	80.6	Confident	29 Å²	29	61.2 Å²	61.2	20%	0.203	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-56.4	-32.5	177.2	71.1	0	0	0	0	112.1	K35 F101 F102	K35-S99 VanDerWaalsContact CE-C 3.45Å; K35-S99 WeakPolarHBondContact CE-O 3.31Å; K35-S99 PolarHBondContact NZ-O 3.48Å; S99-F101 PolarHBondContact O-N 2.57Å; S99-F102 VanDerWaalsContact CA-CE1 3.48Å; S99-F102 WeakPolarHBondContact O-CD1 3.24Å; S99-F102 PolarHBondContact O-N 3.18Å
100	T	83.2	Confident	78.6	Confident	105 Å²	105	64.7 Å²	64.7	64%	0.644	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-58.8	-17.8	179.3	47.3	0	0	0	0	114.9	P98	P98-T100 WeakPolarHBondContact CB-OG1 3.37Å; P98-T100 PolarHBondContact O-N 3.41Å; P98-T100 VanDerWaalsContact O-N 3.09Å
101	F	85.2	Confident	75.8	Confident	60 Å²	60	64.3 Å²	64.3	26%	0.263	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-86.3	-10.3	-171.5	-76.4	27.1	0	0	0	113.8	L44 W45 V97 P98 S99	L44-F101 HydrophobicContact CD1-CB 3.95Å; W45-F101 HydrophobicContact CZ2-CD2 4.26Å; W45-F101 PolarHBondContact N-O 2.73Å; W45-F101 AromaticContact NE1-CD2 3.3Å; W45-F101 VanDerWaalsContact NE1-CD2 3.3Å; W45-F101 AromaticContact NE1-CG 3.83Å; V97-F101 HydrophobicContact CB-CB 4.08Å; V97-F101 HydrophobicContact CB-CD2 4.23Å; V97-F101 HydrophobicContact CB-CG 4.41Å; V97-F101 HydrophobicContact CG1-CD2 4.24Å; V97-F101 HydrophobicContact CG2-CB 4.38Å; P98-F101 HydrophobicContact CB-CD1 4.06Å; P98-F101 HydrophobicContact CB-CE1 4.25Å; P98-F101 HydrophobicContact CG-CD1 4.18Å; P98-F101 HydrophobicContact CG-CE1 4Å; P98-F101 HydrophobicContact CG-CZ 4.24Å; P98-F101 PolarHBondContact O-N 2.6Å; P98-F101 VanDerWaalsContact O-N 3.07Å; S99-F101 PolarHBondContact O-N 2.57Å
102	F	85.8	Confident	72.9	Confident	3 Å²	3	66.1 Å²	66.1	1%	0.013	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.3	178.9	63.7	-98.3	0	0	0	112.8	K35 C36 V42 K43 V69 I71 V97 S99	K35-F102 HydrophobicContact CG-CE2 4.44Å; K35-F102 PolarHBondContact NZ-O 2.96Å; C36-F102 HydrophobicContact CB-CE2 3.98Å; C36-F102 HydrophobicContact CB-CZ 4.07Å; C36-F102 VanDerWaalsContact SG-CZ 3.6Å; V42-F102 HydrophobicContact CB-CB 4.12Å; V42-F102 HydrophobicContact CB-CD2 3.72Å; V42-F102 HydrophobicContact CB-CE2 4.43Å; V42-F102 HydrophobicContact CB-CG 4.07Å; V42-F102 HydrophobicContact CG1-CD2 3.42Å; V42-F102 VanDerWaalsContact CG1-CD2 3.42Å; V42-F102 HydrophobicContact CG1-CE2 3.67Å; V42-F102 HydrophobicContact CG1-CG 4.19Å; V42-F102 HydrophobicContact CG2-CD2 4.49Å; V42-F102 HydrophobicContact CG2-CG 4.47Å; K43-F102 CarbonylContact O-C 3.59Å; K43-F102 VanDerWaalsContact O-CA 3.24Å; K43-F102 WeakPolarHBondContact O-CA 3.47Å; K43-F102 WeakPolarHBondContact O-CB 3.23Å; V69-F102 HydrophobicContact CB-CE1 3.78Å; V69-F102 HydrophobicContact CB-CZ 4.29Å; V69-F102 HydrophobicContact CG1-CE1 3.8Å; V69-F102 HydrophobicContact CG1-CZ 4.03Å; V69-F102 HydrophobicContact CG2-CE1 3.89Å; V69-F102 HydrophobicContact CG2-CZ 4.05Å; I71-F102 HydrophobicContact CD1-CB 4.24Å; I71-F102 HydrophobicContact CD1-CD1 3.59Å; I71-F102 HydrophobicContact CD1-CE1 4.16Å; I71-F102 HydrophobicContact CD1-CG 4.08Å; V97-F102 HydrophobicContact CG2-CD1 3.99Å; V97-F102 HydrophobicContact CG2-CE1 4.38Å; S99-F102 VanDerWaalsContact CA-CE1 3.48Å; S99-F102 WeakPolarHBondContact O-CD1 3.24Å; S99-F102 PolarHBondContact O-N 3.18Å
103	T	89.9	Confident	70.2	Confident	61 Å²	61	67.4 Å²	67.4	37%	0.374	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	152	168.6	52.6	0	0	0	0	109.9	V42 K43 N46	V42-T103 CarbonylContact C-O 3.52Å; V42-T103 WeakPolarHBondContact CA-O 3.41Å; V42-T103 WeakPolarHBondContact CB-O 3.4Å; K43-T103 PolarHBondContact N-O 2.85Å; K43-T103 PolarHBondContact O-N 3.09Å; K43-T103 PolarHBondContact O-OG1 2.92Å; N46-T103 PolarHBondContact OD1-OG1 3.21Å
104	L	88.8	Confident	67	Low	76 Å²	76	71.9 Å²	71.9	40%	0.398	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.4	172.2	-68.9	169.9	0	0	0	108.5	K35 C36 D40 V42 S106	K35-L104 WeakPolarHBondContact O-CD1 3.2Å; C36-L104 HydrophobicContact CB-CD2 3.98Å; D40-L104 HydrophobicContact CB-CD2 4.02Å; V42-L104 HydrophobicContact CG1-CD2 4.03Å; L104-S106 PolarHBondContact O-N 3.28Å
105	L	79.9	Confident	64.1	Low	53 Å²	53	76.8 Å²	76.8	28%	0.277	43%	0.429	S	S	.	.			trans	-90.3	92.4	174.2	-70.8	174.6	0	0	0	109	R41 K43 D49	R41-L105 HydrophobicContact CB-CB 4.14Å; R41-L105 PolarHBondContact O-N 2.85Å; K43-L105 HydrophobicContact CB-CD1 3.91Å; K43-L105 HydrophobicContact CB-CD2 3.76Å; K43-L105 HydrophobicContact CB-CG 3.78Å; K43-L105 HydrophobicContact CD-CD2 4.21Å; D49-L105 HydrophobicContact CB-CD1 4.33Å; D49-L105 WeakPolarHBondContact OD1-CD1 3.31Å
106	S	66.5	Low	60.9	Low	103 Å²	103	83.8 Å²	83.8	72%	0.72	46%	0.459	S	S	*	.	S	Bend	trans	60.9	139.8	176.2	-56.5	0	0	0	0	115.5	L104 G108	L104-S106 PolarHBondContact O-N 3.28Å; S106-G108 PolarHBondContact O-N 2.76Å
107	P	50.7	Low	57.9	Low	120 Å²	120	91 Å²	91	78%	0.779	50%	0.498	S	S	*	.			trans	-74.4	94.5	-173.3	29.9	-32.6	0	0	0	110	R109	P107-R109 PolarHBondContact O-N 3.13Å
108	G	42.2	Very low	55.3	Low	56 Å²	56	97.3 Å²	97.3	58%	0.577	53%	0.525	S	S	*	.	S	Bend	trans	-61.3	89.1	154.2	0	0	0	0	0	108.7	S106	S106-G108 PolarHBondContact O-N 2.76Å
109	R	38	Very low	52.6	Low	243 Å²	243	102.8 Å²	102.8	92%	0.917	56%	0.558	S	S	*	*	S	Bend	trans	37.2	77.1	170	-63.7	-174.7	-179.7	-173	0.2	115.8	P107	P107-R109 PolarHBondContact O-N 3.13Å
110	R	47	Very low	50	Low	80 Å²	80	105.4 Å²	105.4	30%	0.302	57%	0.569	S	S	.	*			trans	-141.3	125.9	165.5	-80.4	-171.5	-85.7	-171.2	-56.4	115.9	C36 D40	C36-R110 VanDerWaalsContact C-NH1 3.32Å; D40-R110 IonicContact OD1-CZ 3.05Å; D40-R110 IonicContact OD1-NE 3.32Å; D40-R110 IonicContact OD1-NH2 2.6Å; D40-R110 PolarHBondContact OD1-NH2 3.35Å; D40-R110 IonicContact OD2-CZ 3.82Å; D40-R110 IonicContact OD2-NH1 2.57Å; D40-R110 PolarHBondContact OD2-NH1 3.01Å; D40-R110 IonicContact OD2-NH2 3.81Å; D40-R110 PolarHBondContact OD2-NH2 3.07Å
111	G	33.1	Very low	47.8	Very low	72 Å²	72	104.8 Å²	104.8	74%	0.742	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-60	146.7	159.5	0	0	0	0	0	111.3
112	H	28.7	Very low	45.5	Very low	182 Å²	182	107.9 Å²	107.9	84%	0.843	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-48.9	131.3	-179.8	-95.9	-85.8	0	0	0	112.5	Q114	H112-Q114 PolarHBondContact O-N 3.34Å
113	P	33.7	Very low	43.3	Very low	72 Å²	72	111.3 Å²	111.3	47%	0.468	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-70.3	119.5	163.9	26.9	-24.8	0	0	0	108.2	I115	P113-I115 PolarHBondContact O-N 3.12Å
114	Q	27.1	Very low	40.9	Very low	151 Å²	151	112 Å²	112	71%	0.706	60%	0.602	S	S	*	*			trans	-75.3	115.2	169.4	-66.2	-167.8	21.6	0	0	108.7	H112 K116	H112-Q114 PolarHBondContact O-N 3.34Å; Q114-K116 PolarHBondContact O-N 3.33Å
115	I	29.5	Very low	38.8	Very low	126 Å²	126	115.7 Å²	115.7	65%	0.646	62%	0.615	S	S	*	*			trans	-79.1	100.5	173	-54.8	170	0	0	0	107.1	P113 F118	P113-I115 PolarHBondContact O-N 3.12Å; I115-F118 HydrophobicContact CG2-CB 4.37Å
116	K	24.2	Very low	37	Very low	147 Å²	147	117.9 Å²	117.9	64%	0.639	63%	0.627	S	S	*	*			trans	-123.2	129.9	162.5	-75.1	-175.4	176.2	178.3	0	108.1	H33 Q114	H33-K116 PolarHBondContact CE1-O 2.97Å; H33-K116 VanDerWaalsContact CE1-O 3.32Å; H33-K116 PolarHBondContact NE2-O 2.94Å; Q114-K116 PolarHBondContact O-N 3.33Å
117	N	27	Very low	35.7	Very low	152 Å²	152	113.8 Å²	113.8	81%	0.813	60%	0.596	S	S	*	*			trans	74.5	49.6	176.1	-51.9	-18.3	0	0	0	116.7	T119	N117-T119 PolarHBondContact O-N 2.87Å; N117-T119 VanDerWaalsContact O-N 3.1Å
118	F	31.6	Very low	35.5	Very low	135 Å²	135	113.8 Å²	113.8	59%	0.592	59%	0.586	S	S	*	*			trans	-73.3	95.2	160.8	-161.2	-94.4	0	0	0	109.2	I115 M120	I115-F118 HydrophobicContact CG2-CB 4.37Å; F118-M120 HydrophobicContact CD1-CG 3.64Å; F118-M120 HydrophobicContact CE1-CB 4.47Å; F118-M120 HydrophobicContact CE1-CE 4.18Å; F118-M120 HydrophobicContact CE1-CG 3.71Å; F118-M120 PolarHBondContact O-N 2.89Å
119	T	29	Very low	36.3	Very low	132 Å²	132	119.8 Å²	119.8	81%	0.81	60%	0.596	S	S	*	*			trans	-74.7	100.4	161.7	34.2	0	0	0	0	107.7	N117	N117-T119 PolarHBondContact O-N 2.87Å; N117-T119 VanDerWaalsContact O-N 3.1Å
120	M	29	Very low	37.1	Very low	85 Å²	85	111.2 Å²	111.2	42%	0.419	57%	0.569	S	S	.	*			trans	-53.7	142	163.2	-63.7	-144.8	69.6	0	0	108.1	F118 P122 Y124	F118-M120 HydrophobicContact CD1-CG 3.64Å; F118-M120 HydrophobicContact CE1-CB 4.47Å; F118-M120 HydrophobicContact CE1-CE 4.18Å; F118-M120 HydrophobicContact CE1-CG 3.71Å; F118-M120 PolarHBondContact O-N 2.89Å; M120-P122 VanDerWaalsContact O-N 3.11Å; M120-Y124 HydrophobicContact CB-CD1 3.92Å; M120-Y124 HydrophobicContact CB-CG 4.18Å; M120-Y124 HydrophobicContact CE-CD1 3.7Å; M120-Y124 HydrophobicContact CE-CD2 3.16Å; M120-Y124 HydrophobicContact CE-CE1 4.18Å; M120-Y124 HydrophobicContact CE-CE2 3.72Å; M120-Y124 HydrophobicContact CE-CG 3.13Å; M120-Y124 HydrophobicContact CG-CD1 4.08Å; M120-Y124 HydrophobicContact CG-CG 4.38Å; M120-Y124 HydrophobicContact SD-CD1 3.17Å; M120-Y124 WeakPolarHBondContact SD-CD1 3.19Å; M120-Y124 HydrophobicContact SD-CD2 3.66Å; M120-Y124 HydrophobicContact SD-CE1 3.29Å; M120-Y124 WeakPolarHBondContact SD-CE1 3.16Å; M120-Y124 HydrophobicContact SD-CE2 3.77Å; M120-Y124 HydrophobicContact SD-CG 3.35Å
121	N	36.8	Very low	37.7	Very low	92 Å²	92	113 Å²	113	49%	0.492	58%	0.575	S	S	.	*			trans	-44.8	127.5	164.6	-179.8	-37.7	0	0	0	106.9	N123 Y124	N121-N123 PolarHBondContact O-N 3.43Å; N121-N123 WeakPolarHBondContact OD1-CB 3.44Å; N121-N123 PolarHBondContact OD1-N 3.38Å; N121-Y124 WeakPolarHBondContact O-CB 3.46Å; N121-Y124 PolarHBondContact O-N 2.9Å
122	P	38	Very low	39.1	Very low	125 Å²	125	115.2 Å²	115.2	81%	0.812	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-22.9	-176.1	17.3	-30	0	0	0	112.5	M120	M120-P122 VanDerWaalsContact O-N 3.11Å
123	N	38.5	Very low	40.2	Very low	74 Å²	74	111 Å²	111	40%	0.396	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.5	175.5	-64.6	-31.7	0	0	0	115.4	N121 K125 L126 I127	N121-N123 PolarHBondContact O-N 3.43Å; N121-N123 WeakPolarHBondContact OD1-CB 3.44Å; N121-N123 PolarHBondContact OD1-N 3.38Å; N123-K125 VanDerWaalsContact C-N 3.29Å; N123-K125 PolarHBondContact O-N 2.92Å; N123-L126 HydrophobicContact CB-CB 4.27Å; N123-L126 CarbonylContact O-C 3.45Å; N123-L126 VanDerWaalsContact O-CA 3.31Å; N123-L126 WeakPolarHBondContact O-CA 3.47Å; N123-L126 WeakPolarHBondContact O-CB 3.47Å; N123-L126 PolarHBondContact O-N 2.9Å; N123-I127 HydrophobicContact CB-CD1 4.23Å; N123-I127 HydrophobicContact CB-CG1 4.42Å; N123-I127 WeakPolarHBondContact O-CB 3.41Å; N123-I127 VanDerWaalsContact O-CG1 3.28Å; N123-I127 WeakPolarHBondContact O-CG1 3.46Å; N123-I127 PolarHBondContact O-N 2.96Å
124	Y	40.4	Very low	41.2	Very low	77 Å²	77	109.8 Å²	109.8	30%	0.302	54%	0.536	S	S	.	.	H	α-helix	trans	-56.4	-40.6	-176.2	124.9	-96.4	0	0	0	113.4	M120 N121 L126 I127 Q128	M120-Y124 HydrophobicContact CB-CD1 3.92Å; M120-Y124 HydrophobicContact CB-CG 4.18Å; M120-Y124 HydrophobicContact CE-CD1 3.7Å; M120-Y124 HydrophobicContact CE-CD2 3.16Å; M120-Y124 HydrophobicContact CE-CE1 4.18Å; M120-Y124 HydrophobicContact CE-CE2 3.72Å; M120-Y124 HydrophobicContact CE-CG 3.13Å; M120-Y124 HydrophobicContact CG-CD1 4.08Å; M120-Y124 HydrophobicContact CG-CG 4.38Å; M120-Y124 HydrophobicContact SD-CD1 3.17Å; M120-Y124 WeakPolarHBondContact SD-CD1 3.19Å; M120-Y124 HydrophobicContact SD-CD2 3.66Å; M120-Y124 HydrophobicContact SD-CE1 3.29Å; M120-Y124 WeakPolarHBondContact SD-CE1 3.16Å; M120-Y124 HydrophobicContact SD-CE2 3.77Å; M120-Y124 HydrophobicContact SD-CG 3.35Å; N121-Y124 WeakPolarHBondContact O-CB 3.46Å; N121-Y124 PolarHBondContact O-N 2.9Å; Y124-L126 VanDerWaalsContact C-N 3.3Å; Y124-I127 WeakPolarHBondContact O-CB 3.4Å; Y124-I127 PolarHBondContact O-N 2.88Å; Y124-Q128 HydrophobicContact CD2-CG 4.44Å; Y124-Q128 HydrophobicContact CE2-CG 4.28Å; Y124-Q128 PolarHBondContact O-N 2.75Å
125	K	44.3	Very low	42.9	Very low	153 Å²	153	107.2 Å²	107.2	67%	0.665	52%	0.522	S	S	*	.	H	α-helix	trans	-67.6	-34.9	175.6	-70.8	-171.4	177.3	178.4	0	111	N123 K129	N123-K125 VanDerWaalsContact C-N 3.29Å; N123-K125 PolarHBondContact O-N 2.92Å; K125-K129 VanDerWaalsContact O-CB 3.31Å; K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 2.78Å
126	L	41	Very low	44.4	Very low	99 Å²	99	106.4 Å²	106.4	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-41.7	173.1	-132.1	97.2	0	0	0	111.4	N123 Y124 K129 N130	N123-L126 HydrophobicContact CB-CB 4.27Å; N123-L126 CarbonylContact O-C 3.45Å; N123-L126 VanDerWaalsContact O-CA 3.31Å; N123-L126 WeakPolarHBondContact O-CA 3.47Å; N123-L126 WeakPolarHBondContact O-CB 3.47Å; N123-L126 PolarHBondContact O-N 2.9Å; Y124-L126 VanDerWaalsContact C-N 3.3Å; L126-K129 PolarHBondContact O-N 3.34Å; L126-N130 VanDerWaalsContact O-CB 3.29Å; L126-N130 WeakPolarHBondContact O-CB 3.39Å; L126-N130 PolarHBondContact O-N 3.09Å
127	I	39	Very low	45.5	Very low	17 Å²	17	104.8 Å²	104.8	9%	0.087	52%	0.521	C	S	.	.	H	α-helix	trans	-60.9	-43.8	177.3	-73	162	0	0	0	110.5	N123 Y124 Y134 F146	N123-I127 HydrophobicContact CB-CD1 4.23Å; N123-I127 HydrophobicContact CB-CG1 4.42Å; N123-I127 WeakPolarHBondContact O-CB 3.41Å; N123-I127 VanDerWaalsContact O-CG1 3.28Å; N123-I127 WeakPolarHBondContact O-CG1 3.46Å; N123-I127 PolarHBondContact O-N 2.96Å; Y124-I127 WeakPolarHBondContact O-CB 3.4Å; Y124-I127 PolarHBondContact O-N 2.88Å; I127-Y134 HydrophobicContact CB-CD2 4.39Å; I127-Y134 HydrophobicContact CB-CE2 4.11Å; I127-Y134 HydrophobicContact CD1-CE2 4.41Å; I127-Y134 HydrophobicContact CG1-CD2 3.99Å; I127-Y134 HydrophobicContact CG1-CE1 4.22Å; I127-Y134 HydrophobicContact CG1-CE2 3.29Å; I127-Y134 VanDerWaalsContact CG1-CZ 3.41Å; I127-Y134 WeakPolarHBondContact CG1-OH 3.44Å; I127-F146 HydrophobicContact CG2-CE2 3.91Å; I127-F146 HydrophobicContact CG2-CZ 3.44Å; I127-F146 VanDerWaalsContact CG2-CZ 3.44Å; I127-F146 WeakPolarHBondContact O-CZ 2.78Å
128	Q	46.9	Very low	46.8	Very low	120 Å²	120	98.2 Å²	98.2	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-67.8	-39.7	173.7	-84.9	-173.2	-25.5	0	0	112.9	Y124	Y124-Q128 HydrophobicContact CD2-CG 4.44Å; Y124-Q128 HydrophobicContact CE2-CG 4.28Å; Y124-Q128 PolarHBondContact O-N 2.75Å
129	K	59.2	Low	48.2	Very low	182 Å²	182	94.3 Å²	94.3	79%	0.791	47%	0.473	S	S	*	.	H	α-helix	trans	-75.2	-32.5	-176.8	-156.5	177.7	-174.9	-174.7	0	112.8	K125 L126	K125-K129 VanDerWaalsContact O-CB 3.31Å; K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 2.78Å; L126-K129 PolarHBondContact O-N 3.34Å
130	N	55.9	Low	49.3	Very low	63 Å²	63	88.8 Å²	88.8	34%	0.337	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	45.8	-174.9	-67.2	-27.4	0	0	0	112	L126 E132 L133 Y134	L126-N130 VanDerWaalsContact O-CB 3.29Å; L126-N130 WeakPolarHBondContact O-CB 3.39Å; L126-N130 PolarHBondContact O-N 3.09Å; N130-E132 VanDerWaalsContact C-N 3.29Å; N130-E132 PolarHBondContact O-N 2.83Å; N130-L133 HydrophobicContact CB-CB 3.85Å; N130-L133 VanDerWaalsContact O-CB 3.27Å; N130-L133 WeakPolarHBondContact O-CB 3.41Å; N130-L133 PolarHBondContact O-N 2.77Å; N130-Y134 PolarHBondContact O-N 3.39Å
131	R	58.7	Low	50.5	Low	118 Å²	118	85.9 Å²	85.9	45%	0.445	43%	0.425	S	S	.	.	H	α-helix	trans	-52	-44.2	-177.4	-134.8	-178	172.9	-179.8	-5.2	112.9	L133 Y134 K135 Y142 F146	R131-L133 VanDerWaalsContact C-N 3.33Å; R131-L133 PolarHBondContact O-N 3.4Å; R131-Y134 PolarHBondContact O-N 3.11Å; R131-K135 PolarHBondContact O-N 3.32Å; R131-K135 VanDerWaalsContact O-N 3.12Å; R131-Y142 HydrophobicContact CG-CE2 4.04Å; R131-Y142 VanDerWaalsContact O-CD2 3.3Å; R131-Y142 WeakPolarHBondContact O-CD2 3.37Å; R131-Y142 VanDerWaalsContact O-CE2 3.26Å; R131-Y142 WeakPolarHBondContact O-CE2 3.5Å; R131-F146 HydrophobicContact CG-CD1 3.83Å; R131-F146 HydrophobicContact CG-CD2 3.89Å; R131-F146 HydrophobicContact CG-CE1 3.75Å; R131-F146 HydrophobicContact CG-CE2 3.83Å; R131-F146 HydrophobicContact CG-CG 3.86Å; R131-F146 HydrophobicContact CG-CZ 3.72Å; R131-F146 VanDerWaalsContact NE-CG 3.31Å; R131-F146 PolarHBondContact NH2-O 3.49Å
132	E	63.5	Low	51.7	Low	118 Å²	118	82.8 Å²	82.8	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-67	-31.1	178	-71.2	-58.4	134	0	0	113.3	N130 Y134 K135 T136	N130-E132 VanDerWaalsContact C-N 3.29Å; N130-E132 PolarHBondContact O-N 2.83Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-K135 WeakPolarHBondContact O-CB 3.33Å; E132-K135 PolarHBondContact O-N 2.95Å; E132-K135 IonicContact OE2-NZ 2.98Å; E132-T136 PolarHBondContact O-N 2.83Å; E132-T136 PolarHBondContact O-OG1 2.67Å
133	L	50.9	Low	52.8	Low	94 Å²	94	80.4 Å²	80.4	49%	0.492	39%	0.385	S	S	.	.	H	α-helix	trans	-67.6	-38.8	176.1	-139.6	101.3	0	0	0	110.2	N130 R131 T136 I137	N130-L133 HydrophobicContact CB-CB 3.85Å; N130-L133 VanDerWaalsContact O-CB 3.27Å; N130-L133 WeakPolarHBondContact O-CB 3.41Å; N130-L133 PolarHBondContact O-N 2.77Å; R131-L133 VanDerWaalsContact C-N 3.33Å; R131-L133 PolarHBondContact O-N 3.4Å; L133-T136 PolarHBondContact O-N 3.47Å; L133-T136 PolarHBondContact O-OG1 2.76Å; L133-I137 HydrophobicContact CB-CD1 4.33Å; L133-I137 HydrophobicContact CD2-CD1 3.46Å; L133-I137 VanDerWaalsContact CD2-CD1 3.46Å; L133-I137 HydrophobicContact CG-CD1 3.76Å; L133-I137 WeakPolarHBondContact O-CB 3.23Å; L133-I137 VanDerWaalsContact O-CD1 3.31Å; L133-I137 WeakPolarHBondContact O-CD1 3.46Å; L133-I137 WeakPolarHBondContact O-CG1 3.35Å; L133-I137 PolarHBondContact O-N 2.87Å
134	Y	54.3	Low	53.6	Low	45 Å²	45	77.6 Å²	77.6	18%	0.176	37%	0.37	C	S	.	.	H	α-helix	trans	-70.8	-32.9	174.6	-93.8	-86.5	0	0	0	113.2	I127 N130 R131 E132 T136 I137 D138 L141	I127-Y134 HydrophobicContact CB-CD2 4.39Å; I127-Y134 HydrophobicContact CB-CE2 4.11Å; I127-Y134 HydrophobicContact CD1-CE2 4.41Å; I127-Y134 HydrophobicContact CG1-CD2 3.99Å; I127-Y134 HydrophobicContact CG1-CE1 4.22Å; I127-Y134 HydrophobicContact CG1-CE2 3.29Å; I127-Y134 VanDerWaalsContact CG1-CZ 3.41Å; I127-Y134 WeakPolarHBondContact CG1-OH 3.44Å; N130-Y134 PolarHBondContact O-N 3.39Å; R131-Y134 PolarHBondContact O-N 3.11Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; Y134-T136 PolarHBondContact O-N 2.93Å; Y134-I137 PolarHBondContact O-N 2.98Å; Y134-D138 CarbonylContact O-C 3.52Å; Y134-D138 PolarHBondContact O-N 3.43Å; Y134-D138 VanDerWaalsContact O-O 3.05Å; Y134-L141 HydrophobicContact CD1-CD2 4.02Å; Y134-L141 HydrophobicContact CE1-CD2 3.77Å
135	K	62.9	Low	54.2	Low	98 Å²	98	78.1 Å²	78.1	43%	0.426	38%	0.377	S	S	.	.	H	α-helix	trans	-57.2	-35.4	173.5	-167.8	-179.4	175.8	-172.8	0	112.2	R131 E132 Y142	R131-K135 PolarHBondContact O-N 3.32Å; R131-K135 VanDerWaalsContact O-N 3.12Å; E132-K135 WeakPolarHBondContact O-CB 3.33Å; E132-K135 PolarHBondContact O-N 2.95Å; E132-K135 IonicContact OE2-NZ 2.98Å; K135-Y142 HydrophobicContact CB-CD1 4.14Å; K135-Y142 HydrophobicContact CB-CD2 3.59Å; K135-Y142 HydrophobicContact CB-CE1 4.24Å; K135-Y142 HydrophobicContact CB-CE2 3.69Å; K135-Y142 HydrophobicContact CB-CG 3.84Å; K135-Y142 HydrophobicContact CD-CE1 4.09Å; K135-Y142 HydrophobicContact CD-CE2 4.38Å; K135-Y142 HydrophobicContact CG-CD1 3.9Å; K135-Y142 HydrophobicContact CG-CD2 4.24Å; K135-Y142 HydrophobicContact CG-CE1 3.83Å; K135-Y142 HydrophobicContact CG-CE2 4.17Å; K135-Y142 HydrophobicContact CG-CG 4.12Å
136	T	60.6	Low	54.9	Low	109 Å²	109	72.1 Å²	72.1	67%	0.669	35%	0.351	S	S	*	.	H	α-helix	trans	-87.9	-40.3	-180	36.9	0	0	0	0	113	E132 L133 Y134	E132-T136 PolarHBondContact O-N 2.83Å; E132-T136 PolarHBondContact O-OG1 2.67Å; L133-T136 PolarHBondContact O-N 3.47Å; L133-T136 PolarHBondContact O-OG1 2.76Å; Y134-T136 PolarHBondContact O-N 2.93Å
137	I	48.8	Very low	55.6	Low	113 Å²	113	72.1 Å²	72.1	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-79.5	-41.3	-175.6	-63.3	164.1	0	0	0	112.2	L133 Y134	L133-I137 HydrophobicContact CB-CD1 4.33Å; L133-I137 HydrophobicContact CD2-CD1 3.46Å; L133-I137 VanDerWaalsContact CD2-CD1 3.46Å; L133-I137 HydrophobicContact CG-CD1 3.76Å; L133-I137 WeakPolarHBondContact O-CB 3.23Å; L133-I137 VanDerWaalsContact O-CD1 3.31Å; L133-I137 WeakPolarHBondContact O-CD1 3.46Å; L133-I137 WeakPolarHBondContact O-CG1 3.35Å; L133-I137 PolarHBondContact O-N 2.87Å; Y134-I137 PolarHBondContact O-N 2.98Å
138	D	54	Low	56	Low	14 Å²	14	86.2 Å²	86.2	8%	0.075	40%	0.4	C	S	.	.			trans	-144.5	84.4	-179	-172.5	-6.9	0	0	0	111	I64 Y134 I140 L141 Y142	I64-D138 WeakPolarHBondContact CD1-OD2 3.49Å; Y134-D138 CarbonylContact O-C 3.52Å; Y134-D138 PolarHBondContact O-N 3.43Å; Y134-D138 VanDerWaalsContact O-O 3.05Å; D138-I140 PolarHBondContact O-N 2.94Å; D138-I140 VanDerWaalsContact O-N 3.15Å; D138-I140 WeakPolarHBondContact OD1-CB 3.41Å; D138-I140 PolarHBondContact OD1-N 3.48Å; D138-L141 HydrophobicContact CB-CB 4.22Å; D138-L141 PolarHBondContact O-N 2.91Å; D138-L141 PolarHBondContact OD1-N 3.16Å; D138-L141 VanDerWaalsContact OD2-CB 3.28Å; D138-L141 WeakPolarHBondContact OD2-CB 3.4Å; D138-Y142 WeakPolarHBondContact O-CB 3.46Å; D138-Y142 PolarHBondContact O-N 3.43Å
139	P	60.5	Low	56.4	Low	52 Å²	52	84.6 Å²	84.6	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-57.9	-29.7	-179.1	-21.9	31.3	0	0	0	113	Q143	P139-Q143 WeakPolarHBondContact O-CB 3.43Å; P139-Q143 PolarHBondContact O-N 2.96Å
140	I	52.9	Low	56.3	Low	17 Å²	17	79.4 Å²	79.4	9%	0.087	37%	0.371	C	S	.	.	H	α-helix	trans	-67.7	-54	-178.3	-65.8	173.2	0	0	0	109.3	F60 L82 N83 D138 Y142 Q143 L144	F60-I140 HydrophobicContact CD1-CG2 4.32Å; F60-I140 HydrophobicContact CG-CG2 4.34Å; L82-I140 HydrophobicContact CD2-CB 4.39Å; L82-I140 HydrophobicContact CD2-CG2 3.45Å; L82-I140 VanDerWaalsContact CD2-CG2 3.45Å; L82-I140 HydrophobicContact CG-CG2 4.04Å; N83-I140 HydrophobicContact CB-CD1 3.93Å; N83-I140 HydrophobicContact CB-CG1 3.32Å; N83-I140 WeakPolarHBondContact ND2-CG1 3.28Å; D138-I140 PolarHBondContact O-N 2.94Å; D138-I140 VanDerWaalsContact O-N 3.15Å; D138-I140 WeakPolarHBondContact OD1-CB 3.41Å; D138-I140 PolarHBondContact OD1-N 3.48Å; I140-Y142 VanDerWaalsContact C-N 3.31Å; I140-Y142 PolarHBondContact O-N 2.86Å; I140-Q143 PolarHBondContact O-N 3.09Å; I140-L144 HydrophobicContact CG2-CD1 4.08Å; I140-L144 WeakPolarHBondContact O-CG 2.95Å; I140-L144 PolarHBondContact O-N 3.22Å
141	L	54.3	Low	56.3	Low	24 Å²	24	80.3 Å²	80.3	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-37.6	178.3	-169.4	70.3	0	0	0	111.2	I66 Y134 D138 L144 I145	I66-L141 HydrophobicContact CD1-CD1 3.63Å; I66-L141 HydrophobicContact CG1-CD1 4.08Å; Y134-L141 HydrophobicContact CD1-CD2 4.02Å; Y134-L141 HydrophobicContact CE1-CD2 3.77Å; D138-L141 HydrophobicContact CB-CB 4.22Å; D138-L141 PolarHBondContact O-N 2.91Å; D138-L141 PolarHBondContact OD1-N 3.16Å; D138-L141 VanDerWaalsContact OD2-CB 3.28Å; D138-L141 WeakPolarHBondContact OD2-CB 3.4Å; L141-L144 PolarHBondContact O-N 3.48Å; L141-I145 HydrophobicContact CD1-CD1 3.65Å; L141-I145 HydrophobicContact CD1-CG1 4.13Å; L141-I145 HydrophobicContact CD2-CD1 4.2Å; L141-I145 HydrophobicContact CG-CD1 3.63Å; L141-I145 HydrophobicContact CG-CG1 4.25Å; L141-I145 WeakPolarHBondContact O-CB 3.13Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 2.82Å
142	Y	61.8	Low	56.2	Low	26 Å²	26	78.1 Å²	78.1	10%	0.102	37%	0.369	C	S	.	.	H	α-helix	trans	-59.2	-48.6	175.3	179.1	-89.4	0	0	0	111.6	R131 K135 D138 I140 I145 F146 Q147	R131-Y142 HydrophobicContact CG-CE2 4.04Å; R131-Y142 VanDerWaalsContact O-CD2 3.3Å; R131-Y142 WeakPolarHBondContact O-CD2 3.37Å; R131-Y142 VanDerWaalsContact O-CE2 3.26Å; R131-Y142 WeakPolarHBondContact O-CE2 3.5Å; K135-Y142 HydrophobicContact CB-CD1 4.14Å; K135-Y142 HydrophobicContact CB-CD2 3.59Å; K135-Y142 HydrophobicContact CB-CE1 4.24Å; K135-Y142 HydrophobicContact CB-CE2 3.69Å; K135-Y142 HydrophobicContact CB-CG 3.84Å; K135-Y142 HydrophobicContact CD-CE1 4.09Å; K135-Y142 HydrophobicContact CD-CE2 4.38Å; K135-Y142 HydrophobicContact CG-CD1 3.9Å; K135-Y142 HydrophobicContact CG-CD2 4.24Å; K135-Y142 HydrophobicContact CG-CE1 3.83Å; K135-Y142 HydrophobicContact CG-CE2 4.17Å; K135-Y142 HydrophobicContact CG-CG 4.12Å; D138-Y142 WeakPolarHBondContact O-CB 3.46Å; D138-Y142 PolarHBondContact O-N 3.43Å; I140-Y142 VanDerWaalsContact C-N 3.31Å; I140-Y142 PolarHBondContact O-N 2.86Å; Y142-I145 PolarHBondContact O-N 3.48Å; Y142-F146 HydrophobicContact CD2-CB 4.27Å; Y142-F146 AromaticContact CD2-CD2 3.49Å; Y142-F146 HydrophobicContact CD2-CD2 3.49Å; Y142-F146 VanDerWaalsContact CD2-CD2 3.49Å; Y142-F146 HydrophobicContact CD2-CE2 4.21Å; Y142-F146 HydrophobicContact CD2-CG 4.29Å; Y142-F146 HydrophobicContact CE2-CB 4.09Å; Y142-F146 AromaticContact CE2-CD2 3.89Å; Y142-F146 HydrophobicContact CE2-CD2 3.89Å; Y142-F146 HydrophobicContact CE2-CG 4.31Å; Y142-F146 HydrophobicContact CG-CD2 4.1Å; Y142-F146 WeakPolarHBondContact O-CA 3.3Å; Y142-F146 VanDerWaalsContact O-CB 3.28Å; Y142-F146 WeakPolarHBondContact O-CB 3.25Å; Y142-F146 PolarHBondContact O-N 3.31Å; Y142-Q147 HydrophobicContact CD1-CG 4.48Å; Y142-Q147 HydrophobicContact CE1-CG 3.99Å
143	Q	60.2	Low	55.7	Low	75 Å²	75	75.6 Å²	75.6	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-44.2	177.5	-103.1	174.9	-15.7	0	0	112.2	L82 P139 I140 I145 Q147	L82-Q143 HydrophobicContact CD1-CB 3.4Å; L82-Q143 HydrophobicContact CD1-CG 4.24Å; L82-Q143 VanDerWaalsContact CD1-OE1 3.28Å; P139-Q143 WeakPolarHBondContact O-CB 3.43Å; P139-Q143 PolarHBondContact O-N 2.96Å; I140-Q143 PolarHBondContact O-N 3.09Å; Q143-I145 PolarHBondContact O-N 3.35Å; Q143-Q147 HydrophobicContact CG-CB 4.42Å; Q143-Q147 HydrophobicContact CG-CG 4.34Å; Q143-Q147 PolarHBondContact O-N 3.5Å
144	L	56.3	Low	56	Low	16 Å²	16	74.4 Å²	74.4	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-35.8	-179.8	-74.3	165.2	0	0	0	113.8	I66 L82 P98 I140 L141	I66-L144 HydrophobicContact CD1-CD1 3.43Å; I66-L144 VanDerWaalsContact CD1-CD1 3.43Å; I66-L144 HydrophobicContact CG2-CD1 4.39Å; L82-L144 HydrophobicContact CD1-CG 4.4Å; L82-L144 HydrophobicContact CD2-CD1 3.51Å; L82-L144 HydrophobicContact CD2-CD2 3.76Å; L82-L144 HydrophobicContact CD2-CG 3.45Å; L82-L144 VanDerWaalsContact CD2-CG 3.45Å; P98-L144 HydrophobicContact CG-CB 4.49Å; P98-L144 HydrophobicContact CG-CD2 3.49Å; P98-L144 VanDerWaalsContact CG-CD2 3.49Å; I140-L144 HydrophobicContact CG2-CD1 4.08Å; I140-L144 WeakPolarHBondContact O-CG 2.95Å; I140-L144 PolarHBondContact O-N 3.22Å; L141-L144 PolarHBondContact O-N 3.48Å
145	I	53	Low	56.1	Low	88 Å²	88	76.5 Å²	76.5	45%	0.451	36%	0.361	S	S	.	.	H	α-helix	trans	-92.8	-37.2	-174.6	-62.2	-176.7	0	0	0	111.9	L141 Y142 Q143	L141-I145 HydrophobicContact CD1-CD1 3.65Å; L141-I145 HydrophobicContact CD1-CG1 4.13Å; L141-I145 HydrophobicContact CD2-CD1 4.2Å; L141-I145 HydrophobicContact CG-CD1 3.63Å; L141-I145 HydrophobicContact CG-CG1 4.25Å; L141-I145 WeakPolarHBondContact O-CB 3.13Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 2.82Å; Y142-I145 PolarHBondContact O-N 3.48Å; Q143-I145 PolarHBondContact O-N 3.35Å
146	F	58.9	Low	55.6	Low	27 Å²	27	74.8 Å²	74.8	12%	0.118	36%	0.356	C	S	.	.	H	α-helix	trans	-118.7	-20.4	-161.7	-61.9	-59.1	0	0	0	116.2	I127 R131 Y142	I127-F146 HydrophobicContact CG2-CE2 3.91Å; I127-F146 HydrophobicContact CG2-CZ 3.44Å; I127-F146 VanDerWaalsContact CG2-CZ 3.44Å; I127-F146 WeakPolarHBondContact O-CZ 2.78Å; R131-F146 HydrophobicContact CG-CD1 3.83Å; R131-F146 HydrophobicContact CG-CD2 3.89Å; R131-F146 HydrophobicContact CG-CE1 3.75Å; R131-F146 HydrophobicContact CG-CE2 3.83Å; R131-F146 HydrophobicContact CG-CG 3.86Å; R131-F146 HydrophobicContact CG-CZ 3.72Å; R131-F146 VanDerWaalsContact NE-CG 3.31Å; R131-F146 PolarHBondContact NH2-O 3.49Å; Y142-F146 HydrophobicContact CD2-CB 4.27Å; Y142-F146 AromaticContact CD2-CD2 3.49Å; Y142-F146 HydrophobicContact CD2-CD2 3.49Å; Y142-F146 VanDerWaalsContact CD2-CD2 3.49Å; Y142-F146 HydrophobicContact CD2-CE2 4.21Å; Y142-F146 HydrophobicContact CD2-CG 4.29Å; Y142-F146 HydrophobicContact CE2-CB 4.09Å; Y142-F146 AromaticContact CE2-CD2 3.89Å; Y142-F146 HydrophobicContact CE2-CD2 3.89Å; Y142-F146 HydrophobicContact CE2-CG 4.31Å; Y142-F146 HydrophobicContact CG-CD2 4.1Å; Y142-F146 WeakPolarHBondContact O-CA 3.3Å; Y142-F146 VanDerWaalsContact O-CB 3.28Å; Y142-F146 WeakPolarHBondContact O-CB 3.25Å; Y142-F146 PolarHBondContact O-N 3.31Å
147	Q	54.8	Low	55.2	Low	98 Å²	98	72 Å²	72	46%	0.458	33%	0.329	S	S	.	.			trans	-92.9	101.8	171.4	-69.9	-166.4	-28.6	0	0	108.1	Y142 Q143	Y142-Q147 HydrophobicContact CD1-CG 4.48Å; Y142-Q147 HydrophobicContact CE1-CG 3.99Å; Q143-Q147 HydrophobicContact CG-CB 4.42Å; Q143-Q147 HydrophobicContact CG-CG 4.34Å; Q143-Q147 PolarHBondContact O-N 3.5Å
148	R	47	Very low	55.8	Low	314 Å²	314	68.3 Å²	68.3	100%	1.185	31%	0.307	S	S	*	.			trans	-83	0	168.1	-86.1	-177.5	169.5	171.1	-3.2	110.1

Retrieved 148 of 148 residues in 193 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).