A0A087XPG7_POEFO Loading...

Sulfiredoxin-1

Contributes to oxidative stress resistance by reducing cysteine-sulfinic acid formed under exposure to oxidants in the peroxiredoxins PRDX1, PRDX2, PRDX3 and PRDX4. Does not act on PRDX5 or PRDX6. May catalyze the reduction in a multi-step process by acting both as a specific phosphotransferase and a thioltransferase.

AlphaFold DB , UniProt , Accession A0A087XPG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 149 aa.

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(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	44.4	Very low	37	Very low	244 Å²	244	169.4 Å²	169.4	100%	1.202	81%	0.811	S	S	*	*				0	109	0	-140.7	172.7	-153.5	0	0	106.9
2	F	30.1	Very low	37.4	Very low	200 Å²	200	169.3 Å²	169.3	88%	0.877	82%	0.817	S	S	*	*			trans	-78.3	140.6	-178.1	-74	-94.8	0	0	0	110.4
3	R	39	Very low	37.3	Very low	236 Å²	236	170.9 Å²	170.9	89%	0.891	82%	0.817	S	S	*	*			trans	-150.3	100.7	148.9	-123.4	174.1	160.4	153.3	-4.9	110.3
4	V	35.8	Very low	37	Very low	109 Å²	109	169.8 Å²	169.8	66%	0.661	81%	0.811	S	S	*	*			trans	-76.4	133.2	161	173.5	0	0	0	0	107.2
5	F	35.8	Very low	37.1	Very low	197 Å²	197	168.5 Å²	168.5	86%	0.864	81%	0.808	S	S	*	*			trans	-140.5	128.7	147.8	-113.1	-86.8	0	0	0	109.6
6	R	34.7	Very low	36.9	Very low	225 Å²	225	169.4 Å²	169.4	85%	0.849	81%	0.808	S	S	*	*			trans	-97.7	166.9	179.5	-88.6	171.8	123	172.3	-1.1	110
7	A	35	Very low	36.7	Very low	90 Å²	90	167.8 Å²	167.8	74%	0.744	80%	0.804	S	S	*	*			trans	91.9	140.8	151.6	0	0	0	0	0	115.8
8	D	40.1	Very low	36.5	Very low	125 Å²	125	167.9 Å²	167.9	67%	0.668	80%	0.801	S	S	*	*			cis	-162.9	149.1	-2.8	-130	-24	0	0	0	110.4
9	K	35.1	Very low	36.3	Very low	162 Å²	162	167.1 Å²	167.1	70%	0.704	80%	0.802	S	S	*	*			trans	42.8	137.5	141	-76.2	165.9	-166.2	169.5	0	125.8
10	T	33.7	Very low	36.7	Very low	117 Å²	117	169.9 Å²	169.9	72%	0.718	80%	0.804	S	S	*	*			trans	76.3	129	139.1	51	0	0	0	0	117.4
11	Q	43.8	Very low	36.7	Very low	158 Å²	158	171.7 Å²	171.7	74%	0.738	81%	0.808	S	S	*	*			cis	-155.4	139.1	48.9	-78.3	-77.9	25.9	0	0	112.5
12	L	41.8	Very low	36.4	Very low	169 Å²	169	168.9 Å²	168.9	89%	0.885	80%	0.795	S	S	*	*			trans	-73.1	131.3	158.5	-100	128.3	0	0	0	109.7
13	K	35.9	Very low	36.7	Very low	190 Å²	190	164.8 Å²	164.8	83%	0.826	79%	0.791	S	S	*	*			trans	-138.5	88.7	159.1	-73.1	-170	176	-174.1	0	107.5
14	Q	33.5	Very low	36.8	Very low	155 Å²	155	163 Å²	163	72%	0.724	79%	0.79	S	S	*	*				75.7	87.1	94.8	-161.5	157	11	0	0	112.1	F16	Q14-F16 PolarHBondContact O-N 3.28Å
15	I	38.1	Very low	37.2	Very low	150 Å²	150	165.6 Å²	165.6	77%	0.769	80%	0.798	S	S	*	*			trans	-60.8	112.9	165.9	-59.8	166.1	0	0	0	107	L17	I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 HydrophobicContact CG2-CG 4.06Å; I15-L17 PolarHBondContact O-N 3.15Å
16	F	32.9	Very low	37.4	Very low	183 Å²	183	161.1 Å²	161.1	80%	0.803	79%	0.788	S	S	*	*			trans	-74.7	84.9	170.1	-95.7	-91.4	0	0	0	109.1	Q14 F18	Q14-F16 PolarHBondContact O-N 3.28Å; F16-F18 PolarHBondContact O-N 2.93Å
17	L	33.9	Very low	37.8	Very low	142 Å²	142	156.9 Å²	156.9	74%	0.743	79%	0.788	S	S	*	*			trans	-72.8	102.9	158.3	-72.1	168.7	0	0	0	107.2	I15 N19	I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 HydrophobicContact CG2-CG 4.06Å; I15-L17 PolarHBondContact O-N 3.15Å; L17-N19 PolarHBondContact O-N 3.13Å
18	F	33.8	Very low	37.8	Very low	170 Å²	170	161.3 Å²	161.3	75%	0.746	79%	0.793	S	S	*	*			trans	-71	95.7	175.5	-156.2	-93.4	0	0	0	109.3	F16 R20	F16-F18 PolarHBondContact O-N 2.93Å; F18-R20 HydrophobicContact CD1-CG 4.18Å; F18-R20 HydrophobicContact CE1-CG 4.31Å; F18-R20 PolarHBondContact O-N 2.69Å
19	N	32.1	Very low	38	Very low	153 Å²	153	161.3 Å²	161.3	82%	0.818	80%	0.802	S	S	*	*			trans	-62.7	110.2	170.2	-85.3	-41.9	0	0	0	110.4	L17	L17-N19 PolarHBondContact O-N 3.13Å
20	R	44.7	Very low	37.8	Very low	223 Å²	223	156.9 Å²	156.9	84%	0.842	80%	0.801	S	S	*	*			trans	-92.5	103.8	162	-84.6	-172.3	170.5	-173.7	-2.3	109.9	F18 M22	F18-R20 HydrophobicContact CD1-CG 4.18Å; F18-R20 HydrophobicContact CE1-CG 4.31Å; F18-R20 PolarHBondContact O-N 2.69Å; R20-M22 PolarHBondContact O-N 3.31Å
21	K	37.5	Very low	38.2	Very low	208 Å²	208	157.8 Å²	157.8	90%	0.904	81%	0.807	S	S	*	*			trans	-63.8	112.8	170.1	-164.3	175.4	-174.5	-176.8	0	109.2
22	M	37	Very low	38	Very low	185 Å²	185	157 Å²	157	91%	0.911	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-84.5	116.2	167.4	-83.9	-176.9	-175.8	0	0	109.3	R20	R20-M22 PolarHBondContact O-N 3.31Å
23	S	36.3	Very low	38.2	Very low	114 Å²	114	157 Å²	157	80%	0.797	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.9	116.7	162.2	51	0	0	0	0	109.1
24	K	42.3	Very low	38.6	Very low	199 Å²	199	154 Å²	154	87%	0.865	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80.4	128.5	170	-60.2	171.3	178.2	173.9	0	109.3
25	I	43.3	Very low	38.9	Very low	162 Å²	162	156 Å²	156	83%	0.831	81%	0.811	S	S	*	*			trans	-155.3	161.6	147.1	-19.8	174.1	0	0	0	107.8
26	P	39.8	Very low	39.5	Very low	103 Å²	103	156.5 Å²	156.5	67%	0.669	82%	0.815	S	S	*	*				-114.8	165.8	-108.4	32.3	-12	0	0	0	114.1	E28	P26-E28 PolarHBondContact O-N 3.46Å
27	T	43.1	Very low	40.2	Very low	137 Å²	137	153.4 Å²	153.4	84%	0.84	82%	0.816	S	S	*	*			trans	-53.2	122.3	164.3	-53.1	0	0	0	0	111.9
28	E	35	Very low	40.8	Very low	183 Å²	183	149.5 Å²	149.5	86%	0.855	81%	0.81	S	S	*	*			trans	-128.8	132.8	153.7	-69.2	-166.5	-173.6	0	0	110.1	P26	P26-E28 PolarHBondContact O-N 3.46Å
29	C	43.6	Very low	41.9	Very low	125 Å²	125	148.1 Å²	148.1	85%	0.845	81%	0.81	S	S	*	*			trans	-77.2	134.7	-176	-175.2	0	0	0	0	110.1
30	G	31.5	Very low	42.9	Very low	68 Å²	68	148.6 Å²	148.6	70%	0.701	81%	0.813	S	S	*	*			trans	-145.8	103.9	169.8	0	0	0	0	0	110	I32	G30-I32 PolarHBondContact O-N 3.29Å
31	T	41.4	Very low	43.2	Very low	136 Å²	136	144.9 Å²	144.9	83%	0.834	80%	0.799	S	S	*	*			trans	-71.8	113.8	165.7	45.4	0	0	0	0	108.8
32	I	40.4	Very low	44.1	Very low	143 Å²	143	137.7 Å²	137.7	73%	0.733	78%	0.775	S	S	*	*			trans	-132.1	112.1	164.5	-55.7	-178.3	0	0	0	107.8	G30 V34	G30-I32 PolarHBondContact O-N 3.29Å; I32-V34 HydrophobicContact CG2-CG2 3.78Å; I32-V34 PolarHBondContact O-N 2.83Å
33	D	46.9	Very low	45.3	Very low	169 Å²	169	130.7 Å²	130.7	90%	0.904	74%	0.743	S	S	*	*			trans	-59.5	111.5	165.8	-68.2	-54.3	0	0	0	109.7
34	V	42.7	Very low	46.5	Very low	126 Å²	126	129.4 Å²	129.4	76%	0.764	72%	0.724	S	S	*	*			trans	-131	123	167.5	-175.9	0	0	0	0	109.9	I32	I32-V34 HydrophobicContact CG2-CG2 3.78Å; I32-V34 PolarHBondContact O-N 2.83Å
35	K	39.7	Very low	47.1	Very low	198 Å²	198	123.9 Å²	123.9	86%	0.861	71%	0.71	S	S	*	*			trans	-55.6	142.4	177.8	-66.7	176.9	173.4	178.6	0	112.3	S37	K35-S37 PolarHBondContact O-N 2.98Å
36	N	52.1	Low	47.3	Very low	159 Å²	159	118.7 Å²	118.7	85%	0.85	68%	0.684	S	S	*	*			trans	-34	118.2	166.4	-164.1	18.3	0	0	0	114.4
37	S	47	Very low	47.9	Very low	119 Å²	119	119.4 Å²	119.4	83%	0.832	69%	0.687	S	S	*	*			trans	-171.4	118.2	152.7	-83.7	0	0	0	0	111.9	K35	K35-S37 PolarHBondContact O-N 2.98Å
38	G	47.6	Very low	48.4	Very low	59 Å²	59	121.3 Å²	121.3	61%	0.608	69%	0.69	S	S	*	*			trans	94.3	93.7	158.1	0	0	0	0	0	114.7	N40	G38-N40 VanDerWaalsContact C-N 3.35Å; G38-N40 PolarHBondContact O-N 3.03Å; G38-N40 PolarHBondContact O-ND2 3.22Å
39	D	55.3	Low	49.7	Very low	141 Å²	141	113.9 Å²	113.9	75%	0.754	66%	0.656	S	S	*	*			trans	-56.9	92.5	168.4	-152.3	2.8	0	0	0	109.4	R41	D39-R41 PolarHBondContact O-N 3.39Å
40	N	53.4	Low	51.5	Low	164 Å²	164	114.6 Å²	114.6	88%	0.877	65%	0.646	S	S	*	*			trans	-75.4	40.3	173.7	-71.5	-65.5	0	0	0	110.9	G38 S42	G38-N40 VanDerWaalsContact C-N 3.35Å; G38-N40 PolarHBondContact O-N 3.03Å; G38-N40 PolarHBondContact O-ND2 3.22Å; N40-S42 PolarHBondContact O-N 2.92Å
41	R	51.6	Low	54.3	Low	144 Å²	144	114.7 Å²	114.7	54%	0.543	63%	0.633	S	S	.	*			trans	-81.1	101	-177.9	-148.2	167.9	166.5	99.7	-1.7	106.6	D39 V43 D46	D39-R41 PolarHBondContact O-N 3.39Å; R41-V43 PolarHBondContact O-N 3.5Å; R41-D46 WeakPolarHBondContact CD-OD2 3.21Å; R41-D46 HydrophobicContact CG-CB 4.41Å; R41-D46 WeakPolarHBondContact CG-OD2 3.28Å; R41-D46 IonicContact CZ-OD1 2.89Å; R41-D46 IonicContact CZ-OD2 3.18Å; R41-D46 IonicContact NE-OD1 3.67Å; R41-D46 IonicContact NE-OD2 3.75Å; R41-D46 PolarHBondContact NE-OD2 3.07Å; R41-D46 IonicContact NH1-OD1 3.37Å; R41-D46 IonicContact NH1-OD2 2.64Å; R41-D46 PolarHBondContact NH1-OD2 2.98Å; R41-D46 VanDerWaalsContact NH2-CB 3.27Å; R41-D46 IonicContact NH2-OD1 3.5Å; R41-D46 PolarHBondContact NH2-OD1 3.39Å; R41-D46 IonicContact NH2-OD2 3.31Å; R41-D46 PolarHBondContact NH2-OD2 3.25Å
42	S	56.6	Low	56.7	Low	57 Å²	57	111.6 Å²	111.6	40%	0.399	61%	0.609	S	S	.	*			trans	-54.6	132.2	168.7	174.3	0	0	0	0	107.6	N40 H44 S45	N40-S42 PolarHBondContact O-N 2.92Å; S42-H44 PolarHBondContact O-N 3.22Å; S42-H44 PolarHBondContact OG-N 2.84Å; S42-H44 PolarHBondContact OG-ND1 3.43Å; S42-S45 PolarHBondContact O-N 3.22Å
43	V	62.4	Low	59.3	Low	39 Å²	39	109.1 Å²	109.1	24%	0.236	60%	0.598	C	S	.	*	T	Hydrogen-bonded Turn	trans	-51.5	-20.5	176.9	176.1	0	0	0	0	112	R41 I130 D136	R41-V43 PolarHBondContact O-N 3.5Å; V43-I130 HydrophobicContact CG1-CG2 3.68Å; V43-D136 HydrophobicContact CG2-CB 4.35Å
44	H	61.3	Low	61.7	Low	86 Å²	86	101.5 Å²	101.5	40%	0.398	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	-12.8	-178.6	-53	82.2	0	0	0	114.5	S42 D92 Y140	S42-H44 PolarHBondContact O-N 3.22Å; S42-H44 PolarHBondContact OG-N 2.84Å; S42-H44 PolarHBondContact OG-ND1 3.43Å; H44-D92 IonicContact CD2-OD2 2.82Å; H44-Y140 PolarHBondContact CE1-OH 2.9Å
45	S	54.2	Low	64.3	Low	83 Å²	83	98 Å²	98	58%	0.58	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-19.3	-170.5	-67.4	0	0	0	0	113.9	S42	S42-S45 PolarHBondContact O-N 3.22Å
46	D	48	Very low	67.1	Low	54 Å²	54	89.5 Å²	89.5	29%	0.289	50%	0.501	S	S	.	.	S	Bend	trans	-132.3	143.6	-166.6	-76.8	-73.5	0	0	0	115.4	R41 Q49	R41-D46 WeakPolarHBondContact CD-OD2 3.21Å; R41-D46 HydrophobicContact CG-CB 4.41Å; R41-D46 WeakPolarHBondContact CG-OD2 3.28Å; R41-D46 IonicContact CZ-OD1 2.89Å; R41-D46 IonicContact CZ-OD2 3.18Å; R41-D46 IonicContact NE-OD1 3.67Å; R41-D46 IonicContact NE-OD2 3.75Å; R41-D46 PolarHBondContact NE-OD2 3.07Å; R41-D46 IonicContact NH1-OD1 3.37Å; R41-D46 IonicContact NH1-OD2 2.64Å; R41-D46 PolarHBondContact NH1-OD2 2.98Å; R41-D46 VanDerWaalsContact NH2-CB 3.27Å; R41-D46 IonicContact NH2-OD1 3.5Å; R41-D46 PolarHBondContact NH2-OD1 3.39Å; R41-D46 IonicContact NH2-OD2 3.31Å; R41-D46 PolarHBondContact NH2-OD2 3.25Å; D46-Q49 PolarHBondContact O-NE2 3.15Å
47	T	52.4	Low	69.2	Low	118 Å²	118	90.6 Å²	90.6	72%	0.724	50%	0.501	S	S	*	.	S	Bend	trans	90.2	122.8	-173.3	-37.9	0	0	0	0	112.3	Q49	T47-Q49 VanDerWaalsContact O-CG 3.29Å; T47-Q49 WeakPolarHBondContact O-CG 3.34Å; T47-Q49 PolarHBondContact O-N 3.19Å
48	I	53	Low	71.6	Confident	177 Å²	177	87.5 Å²	87.5	91%	0.908	48%	0.477	S	S	*	.			trans	-59.5	107.4	164.5	-66.2	164.1	0	0	0	105.9
49	Q	63.8	Low	74	Confident	27 Å²	27	85.4 Å²	85.4	13%	0.126	45%	0.451	C	S	.	.			trans	-105.8	109.8	-175.5	-71.9	163.1	27.8	0	0	107.5	D46 T47 K128 I130	D46-Q49 PolarHBondContact O-NE2 3.15Å; T47-Q49 VanDerWaalsContact O-CG 3.29Å; T47-Q49 WeakPolarHBondContact O-CG 3.34Å; T47-Q49 PolarHBondContact O-N 3.19Å; Q49-K128 HydrophobicContact CB-CD 3.62Å; Q49-K128 HydrophobicContact CB-CG 3.2Å; Q49-K128 HydrophobicContact CG-CD 4.32Å; Q49-K128 HydrophobicContact CG-CG 4.15Å; Q49-I130 VanDerWaalsContact CD-CG1 3.5Å
50	E	79.4	Confident	76.1	Confident	139 Å²	139	81.6 Å²	81.6	65%	0.65	43%	0.43	S	S	*	.			trans	-55.9	139.9	172.6	-172	179.4	174.2	0	0	109.6	H52	E50-H52 PolarHBondContact O-CD2 3.38Å; E50-H52 VanDerWaalsContact O-CD2 3.22Å; E50-H52 IonicContact OE1-CE1 3.62Å; E50-H52 IonicContact OE2-CE1 3.94Å; E50-H52 PolarHBondContact OE2-CE1 3.46Å; E50-H52 IonicContact OE2-NE2 3.71Å
51	V	90.4	Very high	78.2	Confident	71 Å²	71	76.1 Å²	76.1	43%	0.43	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.6	178.1	179.6	0	0	0	0	107.9	P90 P126	V51-P90 HydrophobicContact CG1-CB 3.84Å; V51-P90 HydrophobicContact CG1-CG 4.21Å; V51-P90 HydrophobicContact CG2-CB 4.31Å; V51-P90 HydrophobicContact CG2-CG 3.83Å; V51-P126 HydrophobicContact CG1-CB 4.06Å
52	H	93.3	Very high	80.3	Confident	70 Å²	70	71.7 Å²	71.7	32%	0.324	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.9	179.9	-57.1	-78.9	0	0	0	110.6	E50 V54 A127 L129	E50-H52 PolarHBondContact O-CD2 3.38Å; E50-H52 VanDerWaalsContact O-CD2 3.22Å; E50-H52 IonicContact OE1-CE1 3.62Å; E50-H52 IonicContact OE2-CE1 3.94Å; E50-H52 PolarHBondContact OE2-CE1 3.46Å; E50-H52 IonicContact OE2-NE2 3.71Å; H52-V54 HydrophobicContact CB-CG2 4.35Å; H52-V54 PolarHBondContact O-N 3.25Å; H52-A127 PolarHBondContact N-O 2.97Å; H52-A127 PolarHBondContact O-N 3.5Å; H52-L129 HydrophobicContact CB-CD1 4.34Å
53	N	95	Very high	82.1	Confident	92 Å²	92	74 Å²	74	49%	0.492	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	100.2	169.3	-72.9	-42	0	0	0	109	T124	N53-T124 HydrophobicContact CB-CG2 4.43Å
54	V	96.2	Very high	83.6	Confident	8 Å²	8	78.1 Å²	78.1	5%	0.048	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.1	-176.1	178.7	0	0	0	0	109.5	H52 M56 V58 I59 T124 I125 A127 L129	H52-V54 HydrophobicContact CB-CG2 4.35Å; H52-V54 PolarHBondContact O-N 3.25Å; V54-M56 PolarHBondContact O-N 2.89Å; V54-V58 HydrophobicContact CG1-CG2 3.74Å; V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG1-CD1 3.96Å; V54-I59 HydrophobicContact CG1-CG1 3.83Å; V54-T124 CarbonylContact O-C 3.53Å; V54-T124 WeakPolarHBondContact O-CA 3.35Å; V54-I125 PolarHBondContact N-O 3.29Å; V54-I125 PolarHBondContact O-N 2.86Å; V54-A127 HydrophobicContact CB-CB 4.15Å; V54-A127 HydrophobicContact CG2-CB 3.72Å; V54-L129 HydrophobicContact CG2-CD2 3.87Å; V54-L129 HydrophobicContact CG2-CG 4.38Å
55	P	97.9	Very high	85.1	Confident	53 Å²	53	76.3 Å²	76.3	34%	0.344	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	130.6	175.2	-24	33.3	0	0	0	111.4	Q57 V58 P123	P55-Q57 HydrophobicContact CB-CG 4.21Å; P55-Q57 PolarHBondContact O-N 3.01Å; P55-V58 HydrophobicContact CB-CG1 4.32Å; P55-V58 HydrophobicContact CB-CG2 4.22Å; P55-V58 VanDerWaalsContact O-CG2 3.23Å; P55-V58 WeakPolarHBondContact O-CG2 3.48Å; P55-V58 PolarHBondContact O-N 3.34Å; P55-P123 WeakPolarHBondContact CA-O 3.45Å
56	M	97.6	Very high	87	Confident	20 Å²	20	80.9 Å²	80.9	10%	0.099	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-60.4	-34.6	-175.9	-68.1	-161.2	64.4	0	0	112.7	V54 V58 I59 F114 Q118 M122 P123 I125	V54-M56 PolarHBondContact O-N 2.89Å; M56-V58 VanDerWaalsContact C-N 3.28Å; M56-V58 PolarHBondContact O-N 3.03Å; M56-I59 PolarHBondContact O-N 3.02Å; M56-F114 HydrophobicContact CE-CD1 4.12Å; M56-F114 HydrophobicContact CE-CD2 3.97Å; M56-F114 HydrophobicContact CE-CE1 3.83Å; M56-F114 HydrophobicContact CE-CE2 3.68Å; M56-F114 HydrophobicContact CE-CG 4.18Å; M56-F114 HydrophobicContact CE-CZ 3.61Å; M56-F114 WeakPolarHBondContact CE-O 3.41Å; M56-Q118 HydrophobicContact CE-CB 3.65Å; M56-Q118 HydrophobicContact CE-CG 4.37Å; M56-M122 HydrophobicContact SD-CB 4.45Å; M56-P123 PolarHBondContact N-O 3.31Å; M56-I125 HydrophobicContact CG-CB 4.31Å; M56-I125 HydrophobicContact CG-CG2 4.22Å
57	Q	97.4	Very high	89.4	Confident	182 Å²	182	81.1 Å²	81.1	85%	0.85	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-66.5	-21.9	-177.6	68.6	-173	13.8	0	0	114.8	P55	P55-Q57 HydrophobicContact CB-CG 4.21Å; P55-Q57 PolarHBondContact O-N 3.01Å
58	V	97.6	Very high	91.5	Very high	54 Å²	54	79.2 Å²	79.2	33%	0.327	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-90.1	-9.9	-179.4	-55.3	0	0	0	0	112.6	V54 P55 M56 I60 Y105	V54-V58 HydrophobicContact CG1-CG2 3.74Å; P55-V58 HydrophobicContact CB-CG1 4.32Å; P55-V58 HydrophobicContact CB-CG2 4.22Å; P55-V58 VanDerWaalsContact O-CG2 3.23Å; P55-V58 WeakPolarHBondContact O-CG2 3.48Å; P55-V58 PolarHBondContact O-N 3.34Å; M56-V58 VanDerWaalsContact C-N 3.28Å; M56-V58 PolarHBondContact O-N 3.03Å; V58-I60 PolarHBondContact O-N 3.4Å; V58-Y105 HydrophobicContact CB-CD2 4.27Å; V58-Y105 HydrophobicContact CG2-CD2 3.94Å; V58-Y105 HydrophobicContact CG2-CE2 4.49Å; V58-Y105 HydrophobicContact CG2-CG 4.47Å
59	I	98.1	Very high	93.6	Very high	14 Å²	14	75.8 Å²	75.8	7%	0.072	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.2	-177.3	-62.6	170.7	0	0	0	109.3	V54 M56 R61 I91 F114 I125	V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG1-CD1 3.96Å; V54-I59 HydrophobicContact CG1-CG1 3.83Å; M56-I59 PolarHBondContact O-N 3.02Å; I59-R61 HydrophobicContact CG2-CG 4.18Å; I59-I91 HydrophobicContact CD1-CD1 4Å; I59-F114 HydrophobicContact CB-CE2 4.02Å; I59-F114 HydrophobicContact CD1-CD2 4.47Å; I59-F114 HydrophobicContact CD1-CE2 3.97Å; I59-F114 HydrophobicContact CG2-CE2 4Å; I59-I125 HydrophobicContact CD1-CG2 3.44Å; I59-I125 VanDerWaalsContact CD1-CG2 3.44Å
60	I	98.1	Very high	95.3	Very high	61 Å²	61	82.1 Å²	82.1	31%	0.313	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.2	178	-54.2	166	0	0	0	108.5	V58 P62 Y104 Y105 Y106 S107	V58-I60 PolarHBondContact O-N 3.4Å; I60-P62 HydrophobicContact CG2-CG 4.37Å; I60-Y104 HydrophobicContact CD1-CD1 4.17Å; I60-Y105 PolarHBondContact N-O 3.21Å; I60-Y106 HydrophobicContact CB-CD1 3.88Å; I60-Y106 HydrophobicContact CB-CE1 3.88Å; I60-Y106 HydrophobicContact CB-CG 4.3Å; I60-Y106 HydrophobicContact CD1-CD2 4.36Å; I60-Y106 HydrophobicContact CD1-CE1 4.29Å; I60-Y106 HydrophobicContact CD1-CE2 3.85Å; I60-Y106 HydrophobicContact CG2-CD1 3.76Å; I60-Y106 HydrophobicContact CG2-CE1 3.37Å; I60-Y106 WeakPolarHBondContact O-CA 3.42Å; I60-S107 PolarHBondContact O-N 3.31Å
61	R	97.4	Very high	96.1	Very high	50 Å²	50	80.9 Å²	80.9	19%	0.189	42%	0.415	C	S	.	.			trans	-118.2	95.5	175.8	-62.9	-168.6	69.9	88.8	8.2	109.7	I59 F63 S107 G109	I59-R61 HydrophobicContact CG2-CG 4.18Å; R61-F63 PolarHBondContact O-N 3.12Å; R61-S107 PolarHBondContact NH1-OG 2.98Å; R61-G109 PolarHBondContact NH1-O 2.96Å; R61-G109 PolarHBondContact NH2-O 3.25Å
62	P	96.4	Very high	96.5	Very high	50 Å²	50	77.5 Å²	77.5	33%	0.325	40%	0.395	S	S	.	.			trans	-68.5	-20.8	-172.8	-25.8	38.3	0	0	0	114.8	I60 Y106 F108 L141	I60-P62 HydrophobicContact CG2-CG 4.37Å; P62-Y106 HydrophobicContact CG-CD1 3.64Å; P62-Y106 HydrophobicContact CG-CE1 3.74Å; P62-F108 HydrophobicContact CG-CE1 3.85Å; P62-F108 HydrophobicContact CG-CZ 4.4Å; P62-L141 HydrophobicContact CB-CD2 3.77Å; P62-L141 HydrophobicContact CG-CD2 3.93Å
63	F	94.3	Very high	96.7	Very high	106 Å²	106	78.4 Å²	78.4	47%	0.465	40%	0.399	S	S	.	.	S	Bend	trans	-112.1	142.1	-175.3	-54	-60.5	0	0	0	111.3	R61 F108 L141	R61-F63 PolarHBondContact O-N 3.12Å; F63-F108 AromaticContact CD2-CD1 3.83Å; F63-F108 HydrophobicContact CD2-CD1 3.83Å; F63-F108 HydrophobicContact CD2-CE1 4.25Å; F63-F108 AromaticContact CE2-CD1 3.57Å; F63-F108 HydrophobicContact CE2-CD1 3.57Å; F63-F108 AromaticContact CE2-CE1 3.71Å; F63-F108 HydrophobicContact CE2-CE1 3.71Å; F63-L141 HydrophobicContact CE2-CD2 4.3Å; F63-L141 HydrophobicContact CZ-CD2 3.84Å
64	P	93.2	Very high	96.7	Very high	125 Å²	125	77.3 Å²	77.3	81%	0.812	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-59.3	142.5	170.1	27.7	-33.9	0	0	0	109.5
65	S	93.8	Very high	96.7	Very high	49 Å²	49	78.4 Å²	78.4	34%	0.343	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-90.9	124.2	-179.7	-66.2	0	0	0	0	110.4
66	E	94.4	Very high	96.6	Very high	179 Å²	179	76.7 Å²	76.7	84%	0.836	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-80.3	117.9	165	-66.8	-178.8	-175.9	0	0	108.8
67	L	96.9	Very high	96.4	Very high	59 Å²	59	79.4 Å²	79.4	31%	0.309	41%	0.407	S	S	.	.			trans	-117	139.8	-172.3	-61.1	178.8	0	0	0	111.1	V72 C111 A115	L67-V72 HydrophobicContact CB-CG2 4.43Å; L67-V72 HydrophobicContact CD2-CG2 4.34Å; L67-C111 HydrophobicContact CD2-CB 4.08Å; L67-A115 HydrophobicContact CD1-CB 3.65Å; L67-A115 HydrophobicContact CD2-CB 3.88Å; L67-A115 HydrophobicContact CG-CB 4.45Å
68	D	97.8	Very high	96.2	Very high	78 Å²	78	72.8 Å²	72.8	42%	0.417	38%	0.379	S	S	.	.			trans	-100.7	112.6	165	175	-17.6	0	0	0	106.4	Q70 K71 V72 H112	D68-Q70 VanDerWaalsContact C-N 3.28Å; D68-Q70 PolarHBondContact O-N 3.31Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.23Å; D68-Q70 PolarHBondContact OD1-N 3.22Å; D68-K71 HydrophobicContact CB-CB 4.01Å; D68-K71 PolarHBondContact O-N 2.96Å; D68-K71 VanDerWaalsContact O-N 3.16Å; D68-K71 PolarHBondContact OD1-N 3.44Å; D68-V72 WeakPolarHBondContact O-CG2 3.21Å; D68-V72 PolarHBondContact O-N 3.44Å; D68-H112 PolarHBondContact N-CD2 2.97Å; D68-H112 PolarHBondContact N-NE2 3.28Å
69	E	97.6	Very high	95.9	Very high	104 Å²	104	71.4 Å²	71.4	49%	0.486	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-33.8	-174.5	-65.7	-56.5	139.5	0	0	112.7	K71 V72 Q73 R119	E69-K71 VanDerWaalsContact C-N 3.34Å; E69-V72 PolarHBondContact O-N 2.9Å; E69-Q73 WeakPolarHBondContact O-CB 3.29Å; E69-Q73 PolarHBondContact O-N 3.3Å; E69-R119 IonicContact OE1-CZ 2.64Å; E69-R119 IonicContact OE1-NH1 3.22Å; E69-R119 IonicContact OE1-NH2 3.66Å; E69-R119 PolarHBondContact OE1-NH2 3.5Å; E69-R119 IonicContact OE2-CZ 3.68Å; E69-R119 IonicContact OE2-NH1 3.92Å; E69-R119 PolarHBondContact OE2-NH1 2.92Å; E69-R119 IonicContact OE2-NH2 3.14Å; E69-R119 PolarHBondContact OE2-NH2 3.14Å; E69-R119 VanDerWaalsContact OE2-NH2 3.1Å
70	Q	97.8	Very high	95.5	Very high	160 Å²	160	77.3 Å²	77.3	75%	0.748	40%	0.395	S	S	*	.	H	α-helix	trans	-67.2	-40.4	177	-64.5	-172.5	-14.7	0	0	110.9	D68 Q73 S74	D68-Q70 VanDerWaalsContact C-N 3.28Å; D68-Q70 PolarHBondContact O-N 3.31Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.23Å; D68-Q70 PolarHBondContact OD1-N 3.22Å; Q70-Q73 PolarHBondContact O-N 2.89Å; Q70-S74 WeakPolarHBondContact O-CB 3.4Å; Q70-S74 PolarHBondContact O-N 2.78Å
71	K	97.1	Very high	95	Very high	114 Å²	114	82.1 Å²	82.1	50%	0.496	42%	0.416	S	S	.	.	H	α-helix	trans	-68	-40.1	177.4	-170.3	174.3	-177.5	180	0	112.1	D68 E69 L75 H112	D68-K71 HydrophobicContact CB-CB 4.01Å; D68-K71 PolarHBondContact O-N 2.96Å; D68-K71 VanDerWaalsContact O-N 3.16Å; D68-K71 PolarHBondContact OD1-N 3.44Å; E69-K71 VanDerWaalsContact C-N 3.34Å; K71-L75 HydrophobicContact CG-CD1 4.5Å; K71-L75 WeakPolarHBondContact O-CG 3.28Å; K71-L75 PolarHBondContact O-N 3.03Å; K71-H112 HydrophobicContact CD-CB 4.49Å; K71-H112 HydrophobicContact CG-CB 4.49Å
72	V	97.7	Very high	94	Very high	0 Å²	0	82.3 Å²	82.3	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-43.9	175.2	-177.9	0	0	0	0	110.3	L67 D68 E69 S74 L75 M76 H112 A115 A116 R119	L67-V72 HydrophobicContact CB-CG2 4.43Å; L67-V72 HydrophobicContact CD2-CG2 4.34Å; D68-V72 WeakPolarHBondContact O-CG2 3.21Å; D68-V72 PolarHBondContact O-N 3.44Å; E69-V72 PolarHBondContact O-N 2.9Å; V72-S74 PolarHBondContact O-N 2.86Å; V72-L75 WeakPolarHBondContact O-CB 3.46Å; V72-L75 PolarHBondContact O-N 3.09Å; V72-M76 HydrophobicContact CG1-CG 4.21Å; V72-M76 HydrophobicContact CG1-SD 3.99Å; V72-M76 VanDerWaalsContact O-CG 3.3Å; V72-M76 WeakPolarHBondContact O-CG 3.3Å; V72-M76 PolarHBondContact O-N 2.77Å; V72-H112 HydrophobicContact CG2-CB 4.06Å; V72-A115 HydrophobicContact CG1-CB 4.26Å; V72-A115 HydrophobicContact CG2-CB 4.21Å; V72-A116 HydrophobicContact CG1-CB 4.01Å; V72-R119 VanDerWaalsContact CB-NH1 3.3Å
73	Q	97.5	Very high	92.5	Very high	88 Å²	88	86.1 Å²	86.1	41%	0.411	45%	0.447	S	S	.	.	H	α-helix	trans	-60	-47.6	178	-172.2	58.4	52.9	0	0	111.5	E69 Q70 L75 M76 D77	E69-Q73 WeakPolarHBondContact O-CB 3.29Å; E69-Q73 PolarHBondContact O-N 3.3Å; Q70-Q73 PolarHBondContact O-N 2.89Å; Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.32Å; Q73-M76 WeakPolarHBondContact O-CB 3.15Å; Q73-M76 PolarHBondContact O-N 3.01Å; Q73-M76 VanDerWaalsContact O-N 3.09Å; Q73-D77 PolarHBondContact NE2-OD1 3.23Å; Q73-D77 PolarHBondContact O-N 3.04Å
74	S	95.9	Very high	91.5	Very high	70 Å²	70	85.2 Å²	85.2	49%	0.49	45%	0.447	S	S	.	.	H	α-helix	trans	-58.8	-40.1	176.6	173.2	0	0	0	0	112.5	Q70 V72 D77 T78	Q70-S74 WeakPolarHBondContact O-CB 3.4Å; Q70-S74 PolarHBondContact O-N 2.78Å; V72-S74 PolarHBondContact O-N 2.86Å; S74-D77 PolarHBondContact O-N 2.99Å; S74-T78 WeakPolarHBondContact O-CB 3.24Å; S74-T78 PolarHBondContact O-N 2.98Å; S74-T78 PolarHBondContact O-OG1 3.31Å
75	L	95.8	Very high	90.2	Very high	30 Å²	30	83.3 Å²	83.3	16%	0.157	43%	0.429	C	S	.	.	H	α-helix	trans	-65.4	-43	174.3	-77.1	167.9	0	0	0	111.8	K71 V72 Q73 D77 T78 I79 V88 H112 R113 A116	K71-L75 HydrophobicContact CG-CD1 4.5Å; K71-L75 WeakPolarHBondContact O-CG 3.28Å; K71-L75 PolarHBondContact O-N 3.03Å; V72-L75 WeakPolarHBondContact O-CB 3.46Å; V72-L75 PolarHBondContact O-N 3.09Å; Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.32Å; L75-D77 VanDerWaalsContact C-N 3.3Å; L75-D77 PolarHBondContact O-N 3.24Å; L75-T78 PolarHBondContact O-N 2.88Å; L75-I79 WeakPolarHBondContact O-CB 3.39Å; L75-I79 VanDerWaalsContact O-CD1 3.28Å; L75-I79 WeakPolarHBondContact O-CD1 3.34Å; L75-I79 WeakPolarHBondContact O-CG1 3.27Å; L75-I79 PolarHBondContact O-N 3.22Å; L75-V88 HydrophobicContact CD2-CG1 4.12Å; L75-V88 HydrophobicContact CD2-CG2 4.35Å; L75-H112 HydrophobicContact CD1-CB 3.69Å; L75-R113 HydrophobicContact CD1-CG 4.01Å; L75-R113 HydrophobicContact CD2-CG 4.3Å; L75-A116 HydrophobicContact CB-CB 3.84Å
76	M	95.7	Very high	89.1	Confident	18 Å²	18	85.2 Å²	85.2	9%	0.089	44%	0.443	C	S	.	.	H	α-helix	trans	-59.9	-42.7	176.4	-71.5	174.4	64.1	0	0	111.6	V72 Q73 I79 K80 A116 R119 L120	V72-M76 HydrophobicContact CG1-CG 4.21Å; V72-M76 HydrophobicContact CG1-SD 3.99Å; V72-M76 VanDerWaalsContact O-CG 3.3Å; V72-M76 WeakPolarHBondContact O-CG 3.3Å; V72-M76 PolarHBondContact O-N 2.77Å; Q73-M76 WeakPolarHBondContact O-CB 3.15Å; Q73-M76 PolarHBondContact O-N 3.01Å; Q73-M76 VanDerWaalsContact O-N 3.09Å; M76-I79 PolarHBondContact O-N 3.19Å; M76-K80 WeakPolarHBondContact O-CG 3.48Å; M76-K80 PolarHBondContact O-N 2.79Å; M76-A116 HydrophobicContact CG-CB 3.68Å; M76-R119 HydrophobicContact CE-CB 3.74Å; M76-R119 HydrophobicContact SD-CB 3.72Å; M76-R119 HydrophobicContact SD-CG 4.49Å; M76-L120 HydrophobicContact CB-CD1 4.32Å; M76-L120 HydrophobicContact CB-CD2 4.19Å; M76-L120 HydrophobicContact CB-CG 4.34Å; M76-L120 HydrophobicContact CE-CD2 3.64Å; M76-L120 HydrophobicContact CE-CG 4.04Å; M76-L120 HydrophobicContact CG-CD1 4.29Å; M76-L120 HydrophobicContact CG-CD2 4.29Å; M76-L120 HydrophobicContact CG-CG 4.05Å
77	D	94.6	Very high	88.5	Confident	76 Å²	76	80.6 Å²	80.6	41%	0.406	42%	0.423	S	S	.	.	H	α-helix	trans	-64.2	-45	178.3	-61.8	-24.1	0	0	0	110.4	Q73 S74 L75 I79 K80 E81	Q73-D77 PolarHBondContact NE2-OD1 3.23Å; Q73-D77 PolarHBondContact O-N 3.04Å; S74-D77 PolarHBondContact O-N 2.99Å; L75-D77 VanDerWaalsContact C-N 3.3Å; L75-D77 PolarHBondContact O-N 3.24Å; D77-I79 VanDerWaalsContact C-N 3.34Å; D77-I79 PolarHBondContact O-N 3.04Å; D77-K80 PolarHBondContact O-N 2.79Å; D77-E81 WeakPolarHBondContact O-CB 3.41Å; D77-E81 PolarHBondContact O-N 3.48Å
78	T	93.4	Very high	88.1	Confident	44 Å²	44	78.4 Å²	78.4	27%	0.27	41%	0.412	S	S	.	.	H	α-helix	trans	-59.1	-43.6	176.5	-54.9	0	0	0	0	111.9	S74 L75 I87 V88	S74-T78 WeakPolarHBondContact O-CB 3.24Å; S74-T78 PolarHBondContact O-N 2.98Å; S74-T78 PolarHBondContact O-OG1 3.31Å; L75-T78 PolarHBondContact O-N 2.88Å; T78-I87 HydrophobicContact CG2-CG2 3.36Å; T78-V88 HydrophobicContact CG2-CG2 3.92Å
79	I	90.9	Very high	87.8	Confident	24 Å²	24	78.5 Å²	78.5	12%	0.123	42%	0.417	C	S	.	.	H	α-helix	trans	-68.3	-35.7	-179.9	-66.6	158.8	0	0	0	111.4	L75 M76 D77 V88 A116 Y117 L120	L75-I79 WeakPolarHBondContact O-CB 3.39Å; L75-I79 VanDerWaalsContact O-CD1 3.28Å; L75-I79 WeakPolarHBondContact O-CD1 3.34Å; L75-I79 WeakPolarHBondContact O-CG1 3.27Å; L75-I79 PolarHBondContact O-N 3.22Å; M76-I79 PolarHBondContact O-N 3.19Å; D77-I79 VanDerWaalsContact C-N 3.34Å; D77-I79 PolarHBondContact O-N 3.04Å; I79-V88 HydrophobicContact CG1-CG2 3.9Å; I79-A116 HydrophobicContact CD1-CB 3.84Å; I79-Y117 HydrophobicContact CD1-CD2 3.59Å; I79-Y117 HydrophobicContact CD1-CE2 3.36Å; I79-Y117 HydrophobicContact CD1-CG 4.47Å; I79-Y117 HydrophobicContact CG1-CE2 3.99Å; I79-L120 HydrophobicContact CB-CD1 3.84Å; I79-L120 HydrophobicContact CD1-CD1 4.17Å; I79-L120 HydrophobicContact CG2-CD1 3.58Å
80	K	90.1	Very high	87.6	Confident	139 Å²	139	75.2 Å²	75.2	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-73.5	-37.4	178.4	-73.9	-179.6	-169.7	179.3	0	112.7	M76 D77 L120	M76-K80 WeakPolarHBondContact O-CG 3.48Å; M76-K80 PolarHBondContact O-N 2.79Å; D77-K80 PolarHBondContact O-N 2.79Å; K80-L120 HydrophobicContact CD-CD2 4.09Å; K80-L120 HydrophobicContact CG-CD2 3.92Å
81	E	87.2	Confident	87.6	Confident	162 Å²	162	67.6 Å²	67.6	76%	0.757	37%	0.369	S	S	*	.	H	α-helix	trans	-71.3	-33.6	-171.9	-171.5	171.6	-173.1	0	0	112.3	D77	D77-E81 WeakPolarHBondContact O-CB 3.41Å; D77-E81 PolarHBondContact O-N 3.48Å
82	T	75.6	Confident	87.5	Confident	54 Å²	54	64.6 Å²	64.6	33%	0.331	36%	0.358	S	S	.	.			trans	-134	127.2	-180	-43	0	0	0	0	111.4	D84 I87	T82-D84 HydrophobicContact CG2-CB 3.71Å; T82-D84 PolarHBondContact O-N 2.88Å; T82-D84 VanDerWaalsContact O-N 3.15Å; T82-I87 HydrophobicContact CG2-CD1 3.76Å
83	P	64.9	Low	87.4	Confident	129 Å²	129	64.6 Å²	64.6	84%	0.838	36%	0.358	S	S	*	.			trans	-74.4	3.5	175	32	-35.6	0	0	0	113.4	I85	P83-I85 PolarHBondContact O-N 2.9Å
84	D	73.1	Confident	87.4	Confident	87 Å²	87	60.5 Å²	60.5	47%	0.465	34%	0.339	S	S	.	.			trans	-77.6	110.3	179.8	-168.2	-17.5	0	0	0	110.2	T82 S86 I87	T82-D84 HydrophobicContact CG2-CB 3.71Å; T82-D84 PolarHBondContact O-N 2.88Å; T82-D84 VanDerWaalsContact O-N 3.15Å; D84-S86 PolarHBondContact O-N 3.3Å; D84-S86 VanDerWaalsContact O-N 3.07Å; D84-S86 VanDerWaalsContact OD1-CB 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.29Å; D84-S86 PolarHBondContact OD1-N 2.93Å; D84-S86 PolarHBondContact OD1-OG 3.35Å; D84-S86 PolarHBondContact OD2-OG 2.91Å; D84-S86 VanDerWaalsContact OD2-OG 3.13Å; D84-I87 HydrophobicContact CB-CG1 4.34Å; D84-I87 PolarHBondContact O-N 3.47Å
85	I	66.9	Low	87.5	Confident	85 Å²	85	60.6 Å²	60.6	44%	0.436	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.1	179.7	-60.6	164	0	0	0	111.6	P83 I87 P126	P83-I85 PolarHBondContact O-N 2.9Å; I85-I87 VanDerWaalsContact C-N 3.32Å; I85-I87 PolarHBondContact O-N 3.39Å; I85-P126 HydrophobicContact CG2-CB 3.69Å; I85-P126 HydrophobicContact CG2-CG 3.5Å; I85-P126 VanDerWaalsContact CG2-CG 3.5Å
86	S	70.4	Confident	87.5	Confident	90 Å²	90	59.3 Å²	59.3	63%	0.629	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.2	-178.3	69.2	0	0	0	0	114.6	D84	D84-S86 PolarHBondContact O-N 3.3Å; D84-S86 VanDerWaalsContact O-N 3.07Å; D84-S86 VanDerWaalsContact OD1-CB 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.29Å; D84-S86 PolarHBondContact OD1-N 2.93Å; D84-S86 PolarHBondContact OD1-OG 3.35Å; D84-S86 PolarHBondContact OD2-OG 2.91Å; D84-S86 VanDerWaalsContact OD2-OG 3.13Å
87	I	82.6	Confident	87.5	Confident	82 Å²	82	65.5 Å²	65.5	42%	0.421	35%	0.348	S	S	.	.	S	Bend	trans	-72	-41.7	-176.7	-61.3	-163.9	0	0	0	111.7	T78 T82 D84 I85	T78-I87 HydrophobicContact CG2-CG2 3.36Å; T82-I87 HydrophobicContact CG2-CD1 3.76Å; D84-I87 HydrophobicContact CB-CG1 4.34Å; D84-I87 PolarHBondContact O-N 3.47Å; I85-I87 VanDerWaalsContact C-N 3.32Å; I85-I87 PolarHBondContact O-N 3.39Å
88	V	87.8	Confident	87.6	Confident	12 Å²	12	62.3 Å²	62.3	7%	0.073	33%	0.334	C	S	.	.	S	Bend	trans	-104.5	115.7	178.5	-179.2	0	0	0	0	108.7	L75 T78 I79 R113	L75-V88 HydrophobicContact CD2-CG1 4.12Å; L75-V88 HydrophobicContact CD2-CG2 4.35Å; T78-V88 HydrophobicContact CG2-CG2 3.92Å; I79-V88 HydrophobicContact CG1-CG2 3.9Å; V88-R113 HydrophobicContact CG1-CG 3.88Å
89	P	91.8	Very high	87.7	Confident	81 Å²	81	64.5 Å²	64.5	53%	0.526	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57.4	139.8	-178.4	-25.6	33.4	0	0	0	111.9	R113	P89-R113 WeakPolarHBondContact O-CD 3.32Å; P89-R113 PolarHBondContact O-NH1 2.9Å
90	P	93.8	Very high	87.9	Confident	34 Å²	34	70.5 Å²	70.5	22%	0.221	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60.7	155.1	179.5	27.8	-36.4	0	0	0	111.4	V51 R113 P126	V51-P90 HydrophobicContact CG1-CB 3.84Å; V51-P90 HydrophobicContact CG1-CG 4.21Å; V51-P90 HydrophobicContact CG2-CB 4.31Å; V51-P90 HydrophobicContact CG2-CG 3.83Å; P90-R113 PolarHBondContact O-NH1 3.24Å; P90-P126 VanDerWaalsContact CA-O 3.27Å; P90-P126 WeakPolarHBondContact CA-O 3.34Å; P90-P126 HydrophobicContact CB-CB 4.17Å; P90-P126 WeakPolarHBondContact CB-O 3.45Å
91	I	95.8	Very high	88	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	152.9	172.5	60.8	162.9	0	0	0	110.7	I59 V93 R113 F114 I125 P126 A127 K128	I59-I91 HydrophobicContact CD1-CD1 4Å; I91-V93 HydrophobicContact CD1-CG2 3.81Å; I91-V93 HydrophobicContact CG1-CG2 4.04Å; I91-R113 HydrophobicContact CG2-CB 3.96Å; I91-F114 HydrophobicContact CD1-CD2 4.28Å; I91-I125 HydrophobicContact CD1-CD1 3.93Å; I91-I125 HydrophobicContact CD1-CG1 4.38Å; I91-I125 HydrophobicContact CD1-CG2 3.96Å; I91-I125 HydrophobicContact CG1-CD1 4.16Å; I91-I125 HydrophobicContact CG1-CG1 4.33Å; I91-I125 HydrophobicContact CG2-CD1 3.97Å; I91-P126 PolarHBondContact N-O 3.37Å; I91-A127 HydrophobicContact CD1-CB 4.39Å; I91-A127 HydrophobicContact CG1-CB 3.77Å; I91-A127 CarbonylContact O-C 3.5Å; I91-A127 VanDerWaalsContact O-CA 3.24Å; I91-A127 WeakPolarHBondContact O-CA 3.35Å; I91-K128 PolarHBondContact O-N 3.29Å
92	D	95.6	Very high	88.4	Confident	50 Å²	50	58.7 Å²	58.7	27%	0.267	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.9	172.8	-64.4	-34.6	0	0	0	109.6	H44 S107 I130	H44-D92 IonicContact CD2-OD2 2.82Å; D92-S107 PolarHBondContact O-OG 3.42Å; D92-I130 HydrophobicContact CB-CD1 3.82Å
93	V	96.9	Very high	89.4	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.8	-178.9	176	0	0	0	0	109	I91 W95 Y105 Y106 A127 K128 L129 I130	I91-V93 HydrophobicContact CD1-CG2 3.81Å; I91-V93 HydrophobicContact CG1-CG2 4.04Å; V93-W95 PolarHBondContact O-N 3.39Å; V93-Y105 HydrophobicContact CG1-CD1 4.15Å; V93-Y105 HydrophobicContact CG1-CG 4.45Å; V93-Y106 CarbonylContact C-O 3.55Å; V93-Y106 WeakPolarHBondContact CA-O 3.33Å; V93-A127 HydrophobicContact CB-CB 4.4Å; V93-A127 HydrophobicContact CG2-CB 3.67Å; V93-K128 PolarHBondContact N-O 2.89Å; V93-L129 HydrophobicContact CB-CD2 4.04Å; V93-L129 HydrophobicContact CG1-CD2 3.94Å; V93-I130 PolarHBondContact O-N 2.64Å
94	L	96.7	Very high	91	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.3	170.3	-81.7	71.7	0	0	0	108.6	I96 Y105 Y106 F108 I130 S132 D136 Y140	L94-I96 HydrophobicContact CB-CD1 4.4Å; L94-I96 HydrophobicContact CB-CG1 4.48Å; L94-Y105 CarbonylContact O-C 3.52Å; L94-Y105 WeakPolarHBondContact O-CA 3.48Å; L94-Y106 PolarHBondContact N-O 3.47Å; L94-Y106 PolarHBondContact O-N 2.78Å; L94-F108 HydrophobicContact CD1-CD2 4.29Å; L94-F108 HydrophobicContact CD1-CE2 4.42Å; L94-F108 HydrophobicContact CD2-CE2 4.3Å; L94-I130 HydrophobicContact CD1-CD1 4.31Å; L94-S132 WeakPolarHBondContact CG-OG 3.25Å; L94-D136 HydrophobicContact CD2-CB 4.39Å; L94-Y140 HydrophobicContact CD2-CD2 4.25Å; L94-Y140 HydrophobicContact CD2-CE2 3.83Å
95	W	97.1	Very high	92.1	Very high	71 Å²	71	54.9 Å²	54.9	27%	0.269	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.6	171.1	171.8	25.8	0	0	0	109.2	V93 N103 Y104 Y105 I130 R131 S132	V93-W95 PolarHBondContact O-N 3.39Å; W95-N103 PolarHBondContact NE1-OD1 3.39Å; W95-Y104 WeakPolarHBondContact CA-O 3.43Å; W95-Y105 HydrophobicContact CB-CD1 4.19Å; W95-Y105 HydrophobicContact CB-CE1 4.14Å; W95-Y105 AromaticContact CD1-CE1 3.69Å; W95-Y105 HydrophobicContact CG-CD1 4.35Å; W95-Y105 AromaticContact CG-CE1 3.85Å; W95-Y105 HydrophobicContact CG-CE1 3.85Å; W95-I130 PolarHBondContact N-O 2.87Å; W95-R131 HydrophobicContact CD2-CG 4.49Å; W95-R131 HydrophobicContact CE3-CG 3.71Å; W95-R131 HydrophobicContact CZ3-CG 4.03Å; W95-S132 PolarHBondContact O-N 2.86Å
96	I	96.6	Very high	93.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.5	-178	-56.8	159.1	0	0	0	108.7	L94 Y104 Y106 L137 L148	L94-I96 HydrophobicContact CB-CD1 4.4Å; L94-I96 HydrophobicContact CB-CG1 4.48Å; I96-Y104 PolarHBondContact N-O 3.4Å; I96-Y104 PolarHBondContact O-N 2.93Å; I96-Y106 HydrophobicContact CD1-CD2 4.14Å; I96-L137 HydrophobicContact CD1-CB 3.64Å; I96-L137 HydrophobicContact CD1-CD1 4.05Å; I96-L137 HydrophobicContact CD1-CD2 3.83Å; I96-L137 HydrophobicContact CD1-CG 4.04Å; I96-L148 HydrophobicContact CB-CD1 4.19Å; I96-L148 HydrophobicContact CG2-CD1 3.71Å
97	K	96.3	Very high	94.9	Very high	148 Å²	148	47.5 Å²	47.5	64%	0.643	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.3	172.9	-167.3	172.5	-178.8	175.4	0	109.5	G101 G102	K97-G101 VanDerWaalsContact CE-CA 3.49Å; K97-G102 CarbonylContact C-O 3.5Å; K97-G102 VanDerWaalsContact CA-O 3.32Å; K97-G102 WeakPolarHBondContact CA-O 3.45Å
98	G	95.9	Very high	95.5	Very high	10 Å²	10	45.6 Å²	45.6	10%	0.103	25%	0.245	C	C	.	.			trans	-70.1	169.2	173.8	0	0	0	0	0	112.7	E100 G101 G102 R149	G98-E100 VanDerWaalsContact C-N 3.32Å; G98-E100 PolarHBondContact O-N 3.1Å; G98-G101 PolarHBondContact O-N 3.22Å; G98-G102 PolarHBondContact N-O 2.87Å; G98-R149 WeakPolarHBondContact CA-OXT 3.25Å
99	S	94.8	Very high	95.8	Very high	89 Å²	89	46.9 Å²	46.9	62%	0.622	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31	-176.6	51.3	0	0	0	0	114.9	L148 R149	S99-L148 PolarHBondContact N-O 3.33Å; S99-L148 PolarHBondContact OG-O 3.37Å; S99-R149 PolarHBondContact N-OXT 3.25Å
100	E	95.5	Very high	96	Very high	151 Å²	151	43.7 Å²	43.7	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-0.7	174.5	-55.5	177.9	-168.9	0	0	112.1	G98 R149	G98-E100 VanDerWaalsContact C-N 3.32Å; G98-E100 PolarHBondContact O-N 3.1Å; E100-R149 VanDerWaalsContact CA-OXT 3.24Å; E100-R149 WeakPolarHBondContact CA-OXT 3.38Å; E100-R149 VanDerWaalsContact CB-OXT 3.3Å; E100-R149 WeakPolarHBondContact CB-OXT 3.3Å; E100-R149 HydrophobicContact CG-CB 4.23Å; E100-R149 PolarHBondContact N-OXT 2.96Å; E100-R149 IonicContact OE1-NH1 3.29Å
101	G	92.9	Very high	96.1	Very high	26 Å²	26	43.6 Å²	43.6	27%	0.268	24%	0.242	S	C	.	.	S	Bend	trans	98.6	8.6	172.3	0	0	0	0	0	115.4	K97 G98 R149	K97-G101 VanDerWaalsContact CE-CA 3.49Å; G98-G101 PolarHBondContact O-N 3.22Å; G101-R149 PolarHBondContact N-OXT 2.95Å
102	G	95.2	Very high	96.2	Very high	27 Å²	27	45.2 Å²	45.2	28%	0.278	25%	0.249	S	C	.	.			trans	-59.8	147.9	172.3	0	0	0	0	0	112.3	K97 G98 R149	K97-G102 CarbonylContact C-O 3.5Å; K97-G102 VanDerWaalsContact CA-O 3.32Å; K97-G102 WeakPolarHBondContact CA-O 3.45Å; G98-G102 PolarHBondContact N-O 2.87Å; G102-R149 PolarHBondContact N-OXT 3.41Å
103	N	96.4	Very high	96.3	Very high	80 Å²	80	46 Å²	46	43%	0.428	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.8	177	-64.2	-71.7	0	0	0	110.2	W95 Y105	W95-N103 PolarHBondContact NE1-OD1 3.39Å; N103-Y105 HydrophobicContact CB-CE2 3.87Å
104	Y	97.9	Very high	96.3	Very high	58 Å²	58	47 Å²	47	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.8	-179.8	-60.8	-91.2	0	0	0	110.1	I60 W95 I96 L148 R149	I60-Y104 HydrophobicContact CD1-CD1 4.17Å; W95-Y104 WeakPolarHBondContact CA-O 3.43Å; I96-Y104 PolarHBondContact N-O 3.4Å; I96-Y104 PolarHBondContact O-N 2.93Å; Y104-L148 HydrophobicContact CD1-CD2 3.76Å; Y104-L148 HydrophobicContact CD2-CB 3.97Å; Y104-L148 HydrophobicContact CD2-CD1 3.93Å; Y104-L148 HydrophobicContact CD2-CD2 4.11Å; Y104-L148 HydrophobicContact CD2-CG 4.22Å; Y104-L148 HydrophobicContact CE1-CD2 3.77Å; Y104-L148 HydrophobicContact CE2-CB 3.68Å; Y104-L148 HydrophobicContact CE2-CD1 4.48Å; Y104-L148 HydrophobicContact CE2-CD2 4.12Å; Y104-L148 HydrophobicContact CE2-CG 4.3Å; Y104-L148 HydrophobicContact CG-CD1 4.01Å; Y104-L148 HydrophobicContact CG-CD2 3.91Å; Y104-L148 HydrophobicContact CG-CG 4.4Å; Y104-R149 WeakPolarHBondContact CE2-O 3.34Å; Y104-R149 PolarHBondContact OH-N 3.28Å; Y104-R149 VanDerWaalsContact OH-N 3.12Å; Y104-R149 PolarHBondContact OH-O 3.4Å
105	Y	97.8	Very high	96.4	Very high	52 Å²	52	47.1 Å²	47.1	20%	0.204	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	101.6	-174	-59.6	-78.5	0	0	0	109.5	V58 I60 V93 L94 W95 N103 L129	V58-Y105 HydrophobicContact CB-CD2 4.27Å; V58-Y105 HydrophobicContact CG2-CD2 3.94Å; V58-Y105 HydrophobicContact CG2-CE2 4.49Å; V58-Y105 HydrophobicContact CG2-CG 4.47Å; I60-Y105 PolarHBondContact N-O 3.21Å; V93-Y105 HydrophobicContact CG1-CD1 4.15Å; V93-Y105 HydrophobicContact CG1-CG 4.45Å; L94-Y105 CarbonylContact O-C 3.52Å; L94-Y105 WeakPolarHBondContact O-CA 3.48Å; W95-Y105 HydrophobicContact CB-CD1 4.19Å; W95-Y105 HydrophobicContact CB-CE1 4.14Å; W95-Y105 AromaticContact CD1-CE1 3.69Å; W95-Y105 HydrophobicContact CG-CD1 4.35Å; W95-Y105 AromaticContact CG-CE1 3.85Å; W95-Y105 HydrophobicContact CG-CE1 3.85Å; N103-Y105 HydrophobicContact CB-CE2 3.87Å; Y105-L129 HydrophobicContact CD1-CD2 3.97Å; Y105-L129 HydrophobicContact CE1-CD1 4.49Å; Y105-L129 HydrophobicContact CE1-CD2 4.15Å
106	Y	98.1	Very high	96.4	Very high	17 Å²	17	43.8 Å²	43.8	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.2	-178.9	-77.9	-93.5	0	0	0	111.3	I60 P62 V93 L94 I96 F108 L137 L141 L148	I60-Y106 HydrophobicContact CB-CD1 3.88Å; I60-Y106 HydrophobicContact CB-CE1 3.88Å; I60-Y106 HydrophobicContact CB-CG 4.3Å; I60-Y106 HydrophobicContact CD1-CD2 4.36Å; I60-Y106 HydrophobicContact CD1-CE1 4.29Å; I60-Y106 HydrophobicContact CD1-CE2 3.85Å; I60-Y106 HydrophobicContact CG2-CD1 3.76Å; I60-Y106 HydrophobicContact CG2-CE1 3.37Å; I60-Y106 WeakPolarHBondContact O-CA 3.42Å; P62-Y106 HydrophobicContact CG-CD1 3.64Å; P62-Y106 HydrophobicContact CG-CE1 3.74Å; V93-Y106 CarbonylContact C-O 3.55Å; V93-Y106 WeakPolarHBondContact CA-O 3.33Å; L94-Y106 PolarHBondContact N-O 3.47Å; L94-Y106 PolarHBondContact O-N 2.78Å; I96-Y106 HydrophobicContact CD1-CD2 4.14Å; Y106-F108 HydrophobicContact CD1-CZ 4.16Å; Y106-F108 HydrophobicContact CG-CZ 4.46Å; Y106-L137 HydrophobicContact CD1-CD1 3.94Å; Y106-L137 HydrophobicContact CD2-CD1 4Å; Y106-L137 HydrophobicContact CD2-CD2 4.27Å; Y106-L137 HydrophobicContact CE1-CD1 4.26Å; Y106-L137 HydrophobicContact CE2-CD1 4.32Å; Y106-L137 HydrophobicContact CE2-CD2 3.89Å; Y106-L137 HydrophobicContact CG-CD1 3.79Å; Y106-L141 HydrophobicContact CE1-CD1 4.31Å; Y106-L148 HydrophobicContact CE2-CD1 4.42Å
107	S	97.3	Very high	96.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	24%	0.244	C	C	.	.			trans	-128.8	124.8	171.9	-167.5	0	0	0	0	111.1	I60 R61 D92	I60-S107 PolarHBondContact O-N 3.31Å; R61-S107 PolarHBondContact NH1-OG 2.98Å; D92-S107 PolarHBondContact O-OG 3.42Å
108	F	95.9	Very high	96.4	Very high	43 Å²	43	42.8 Å²	42.8	19%	0.189	24%	0.239	C	C	.	.			trans	-104.2	-33.3	178.9	-59.6	-75.4	0	0	0	111.8	P62 F63 L94 Y106 L137 Y140 L141	P62-F108 HydrophobicContact CG-CE1 3.85Å; P62-F108 HydrophobicContact CG-CZ 4.4Å; F63-F108 AromaticContact CD2-CD1 3.83Å; F63-F108 HydrophobicContact CD2-CD1 3.83Å; F63-F108 HydrophobicContact CD2-CE1 4.25Å; F63-F108 AromaticContact CE2-CD1 3.57Å; F63-F108 HydrophobicContact CE2-CD1 3.57Å; F63-F108 AromaticContact CE2-CE1 3.71Å; F63-F108 HydrophobicContact CE2-CE1 3.71Å; L94-F108 HydrophobicContact CD1-CD2 4.29Å; L94-F108 HydrophobicContact CD1-CE2 4.42Å; L94-F108 HydrophobicContact CD2-CE2 4.3Å; Y106-F108 HydrophobicContact CD1-CZ 4.16Å; Y106-F108 HydrophobicContact CG-CZ 4.46Å; F108-L137 HydrophobicContact CE2-CD1 4.12Å; F108-L137 HydrophobicContact CZ-CD1 3.68Å; F108-Y140 HydrophobicContact CB-CD1 4.13Å; F108-Y140 HydrophobicContact CB-CE1 4.25Å; F108-Y140 HydrophobicContact CD1-CD1 4.03Å; F108-Y140 HydrophobicContact CD1-CG 4.21Å; F108-Y140 AromaticContact CD2-CD1 3.58Å; F108-Y140 HydrophobicContact CD2-CD1 3.58Å; F108-Y140 HydrophobicContact CD2-CD2 4.02Å; F108-Y140 AromaticContact CD2-CE1 3.82Å; F108-Y140 HydrophobicContact CD2-CE1 3.82Å; F108-Y140 HydrophobicContact CD2-CE2 4.25Å; F108-Y140 AromaticContact CD2-CG 3.68Å; F108-Y140 HydrophobicContact CD2-CG 3.68Å; F108-Y140 HydrophobicContact CE1-CD1 4.37Å; F108-Y140 HydrophobicContact CE1-CG 4.08Å; F108-Y140 AromaticContact CE2-CD1 3.97Å; F108-Y140 HydrophobicContact CE2-CD1 3.97Å; F108-Y140 AromaticContact CE2-CD2 3.68Å; F108-Y140 HydrophobicContact CE2-CD2 3.68Å; F108-Y140 HydrophobicContact CE2-CE1 4.45Å; F108-Y140 HydrophobicContact CE2-CE2 4.21Å; F108-Y140 AromaticContact CE2-CG 3.55Å; F108-Y140 HydrophobicContact CE2-CG 3.55Å; F108-Y140 AromaticContact CG-CD1 3.62Å; F108-Y140 HydrophobicContact CG-CD1 3.62Å; F108-Y140 HydrophobicContact CG-CE1 4.06Å; F108-Y140 HydrophobicContact CG-CG 4.02Å; F108-Y140 VanDerWaalsContact CZ-CB 3.49Å; F108-Y140 HydrophobicContact CZ-CD1 4.35Å; F108-Y140 HydrophobicContact CZ-CD2 4.17Å; F108-Y140 AromaticContact CZ-CG 3.76Å; F108-Y140 HydrophobicContact CZ-CG 3.76Å; F108-L141 HydrophobicContact CE1-CD2 4Å; F108-L141 HydrophobicContact CZ-CD2 4.39Å; F108-L141 HydrophobicContact CZ-CG 4.49Å
109	G	93.6	Very high	96.5	Very high	38 Å²	38	46.5 Å²	46.5	39%	0.392	25%	0.249	S	C	.	.	S	Bend	trans	-89.3	-171.3	179.3	0	0	0	0	0	113.7	R61 C111	R61-G109 PolarHBondContact NH1-O 2.96Å; R61-G109 PolarHBondContact NH2-O 3.25Å; G109-C111 VanDerWaalsContact C-N 3.27Å; G109-C111 PolarHBondContact O-N 2.83Å; G109-C111 VanDerWaalsContact O-N 3.14Å
110	G	95.4	Very high	96.5	Very high	14 Å²	14	43.8 Å²	43.8	14%	0.144	23%	0.228	C	C	.	.			trans	62.1	25.9	167.1	0	0	0	0	0	115.7	H112 R113 F114	G110-H112 PolarHBondContact O-N 3.5Å; G110-R113 WeakPolarHBondContact O-CB 3.48Å; G110-R113 PolarHBondContact O-N 3.4Å; G110-R113 VanDerWaalsContact O-N 3.1Å; G110-F114 PolarHBondContact O-N 2.64Å
111	C	97.2	Very high	96.6	Very high	32 Å²	32	44.6 Å²	44.6	22%	0.216	23%	0.231	C	C	.	.	H	α-helix	trans	-52.5	-50.9	-175	51.3	0	0	0	0	113.6	L67 G109 R113 F114 A115	L67-C111 HydrophobicContact CD2-CB 4.08Å; G109-C111 VanDerWaalsContact C-N 3.27Å; G109-C111 PolarHBondContact O-N 2.83Å; G109-C111 VanDerWaalsContact O-N 3.14Å; C111-R113 VanDerWaalsContact C-N 3.32Å; C111-R113 PolarHBondContact O-N 2.81Å; C111-F114 PolarHBondContact O-N 3.38Å; C111-A115 WeakPolarHBondContact O-CB 3.47Å; C111-A115 PolarHBondContact O-N 3.12Å
112	H	98	Very high	96.6	Very high	35 Å²	35	46.9 Å²	46.9	16%	0.162	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-37	178.7	-54	91.5	0	0	0	112.8	D68 K71 V72 L75 G110 A116	D68-H112 PolarHBondContact N-CD2 2.97Å; D68-H112 PolarHBondContact N-NE2 3.28Å; K71-H112 HydrophobicContact CD-CB 4.49Å; K71-H112 HydrophobicContact CG-CB 4.49Å; V72-H112 HydrophobicContact CG2-CB 4.06Å; L75-H112 HydrophobicContact CD1-CB 3.69Å; G110-H112 PolarHBondContact O-N 3.5Å; H112-A116 WeakPolarHBondContact O-CB 3.38Å; H112-A116 PolarHBondContact O-N 2.95Å
113	R	96.9	Very high	96.7	Very high	68 Å²	68	50.3 Å²	50.3	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-66.2	-49.4	176.8	-74.4	173.4	-80.3	166	-1.4	110.1	L75 V88 P89 P90 I91 G110 C111 A115 A116 Y117	L75-R113 HydrophobicContact CD1-CG 4.01Å; L75-R113 HydrophobicContact CD2-CG 4.3Å; V88-R113 HydrophobicContact CG1-CG 3.88Å; P89-R113 WeakPolarHBondContact O-CD 3.32Å; P89-R113 PolarHBondContact O-NH1 2.9Å; P90-R113 PolarHBondContact O-NH1 3.24Å; I91-R113 HydrophobicContact CG2-CB 3.96Å; G110-R113 WeakPolarHBondContact O-CB 3.48Å; G110-R113 PolarHBondContact O-N 3.4Å; G110-R113 VanDerWaalsContact O-N 3.1Å; C111-R113 VanDerWaalsContact C-N 3.32Å; C111-R113 PolarHBondContact O-N 2.81Å; R113-A115 VanDerWaalsContact C-N 3.34Å; R113-A115 PolarHBondContact O-N 2.63Å; R113-A116 WeakPolarHBondContact O-CB 3.48Å; R113-A116 PolarHBondContact O-N 3.4Å; R113-Y117 VanDerWaalsContact O-CD2 3.29Å; R113-Y117 WeakPolarHBondContact O-CD2 3.3Å; R113-Y117 PolarHBondContact O-N 2.77Å; R113-Y117 VanDerWaalsContact O-N 3.12Å
114	F	97.7	Very high	96.7	Very high	21 Å²	21	48.6 Å²	48.6	9%	0.092	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-46.7	176.1	-171.9	-87.7	0	0	0	111.8	M56 I59 I91 G110 C111 A116 Y117 Q118 I125	M56-F114 HydrophobicContact CE-CD1 4.12Å; M56-F114 HydrophobicContact CE-CD2 3.97Å; M56-F114 HydrophobicContact CE-CE1 3.83Å; M56-F114 HydrophobicContact CE-CE2 3.68Å; M56-F114 HydrophobicContact CE-CG 4.18Å; M56-F114 HydrophobicContact CE-CZ 3.61Å; M56-F114 WeakPolarHBondContact CE-O 3.41Å; I59-F114 HydrophobicContact CB-CE2 4.02Å; I59-F114 HydrophobicContact CD1-CD2 4.47Å; I59-F114 HydrophobicContact CD1-CE2 3.97Å; I59-F114 HydrophobicContact CG2-CE2 4Å; I91-F114 HydrophobicContact CD1-CD2 4.28Å; G110-F114 PolarHBondContact O-N 2.64Å; C111-F114 PolarHBondContact O-N 3.38Å; F114-A116 VanDerWaalsContact C-N 3.32Å; F114-A116 PolarHBondContact O-N 2.9Å; F114-Y117 PolarHBondContact O-N 3Å; F114-Q118 WeakPolarHBondContact O-CB 3.42Å; F114-Q118 PolarHBondContact O-N 3.1Å; F114-I125 HydrophobicContact CB-CD1 4.45Å; F114-I125 HydrophobicContact CD2-CD1 4.31Å
115	A	97.9	Very high	96.6	Very high	5 Å²	5	45.9 Å²	45.9	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-38.6	178	0	0	0	0	0	112.6	L67 V72 C111 R113 Q118 R119	L67-A115 HydrophobicContact CD1-CB 3.65Å; L67-A115 HydrophobicContact CD2-CB 3.88Å; L67-A115 HydrophobicContact CG-CB 4.45Å; V72-A115 HydrophobicContact CG1-CB 4.26Å; V72-A115 HydrophobicContact CG2-CB 4.21Å; C111-A115 WeakPolarHBondContact O-CB 3.47Å; C111-A115 PolarHBondContact O-N 3.12Å; R113-A115 VanDerWaalsContact C-N 3.34Å; R113-A115 PolarHBondContact O-N 2.63Å; A115-Q118 PolarHBondContact O-N 2.8Å; A115-R119 WeakPolarHBondContact O-CB 3.4Å; A115-R119 VanDerWaalsContact O-CG 3.3Å; A115-R119 WeakPolarHBondContact O-CG 3.5Å; A115-R119 PolarHBondContact O-N 2.78Å
116	A	97.1	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-53	175.2	0	0	0	0	0	111.1	V72 L75 M76 I79 H112 R113 F114 Q118 R119 L120	V72-A116 HydrophobicContact CG1-CB 4.01Å; L75-A116 HydrophobicContact CB-CB 3.84Å; M76-A116 HydrophobicContact CG-CB 3.68Å; I79-A116 HydrophobicContact CD1-CB 3.84Å; H112-A116 WeakPolarHBondContact O-CB 3.38Å; H112-A116 PolarHBondContact O-N 2.95Å; R113-A116 WeakPolarHBondContact O-CB 3.48Å; R113-A116 PolarHBondContact O-N 3.4Å; F114-A116 VanDerWaalsContact C-N 3.32Å; F114-A116 PolarHBondContact O-N 2.9Å; A116-Q118 VanDerWaalsContact C-N 3.25Å; A116-Q118 PolarHBondContact O-N 3.03Å; A116-R119 PolarHBondContact O-N 3.01Å; A116-L120 WeakPolarHBondContact O-CB 3.18Å; A116-L120 WeakPolarHBondContact O-CG 3.39Å; A116-L120 PolarHBondContact O-N 2.96Å
117	Y	96.8	Very high	96.3	Very high	17 Å²	17	42.8 Å²	42.8	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-37.2	177.2	-82.3	-102.5	0	0	0	111.9	I79 R113 F114 L120 H121 M122 I125 P126	I79-Y117 HydrophobicContact CD1-CD2 3.59Å; I79-Y117 HydrophobicContact CD1-CE2 3.36Å; I79-Y117 HydrophobicContact CD1-CG 4.47Å; I79-Y117 HydrophobicContact CG1-CE2 3.99Å; R113-Y117 VanDerWaalsContact O-CD2 3.29Å; R113-Y117 WeakPolarHBondContact O-CD2 3.3Å; R113-Y117 PolarHBondContact O-N 2.77Å; R113-Y117 VanDerWaalsContact O-N 3.12Å; F114-Y117 PolarHBondContact O-N 3Å; Y117-L120 PolarHBondContact O-N 2.92Å; Y117-H121 PolarHBondContact O-N 3.16Å; Y117-M122 HydrophobicContact CD1-CB 3.8Å; Y117-M122 HydrophobicContact CD1-CG 3.84Å; Y117-M122 HydrophobicContact CG-CG 4.47Å; Y117-M122 PolarHBondContact O-N 3.37Å; Y117-I125 HydrophobicContact CD1-CB 4.05Å; Y117-I125 HydrophobicContact CD1-CD1 4.5Å; Y117-I125 HydrophobicContact CD1-CG1 3.99Å; Y117-I125 HydrophobicContact CD2-CD1 3.74Å; Y117-I125 HydrophobicContact CD2-CG1 3.93Å; Y117-I125 HydrophobicContact CE1-CG1 4.24Å; Y117-I125 HydrophobicContact CE2-CD1 4.31Å; Y117-I125 HydrophobicContact CE2-CG1 4.16Å; Y117-I125 HydrophobicContact CG-CB 4.19Å; Y117-I125 HydrophobicContact CG-CD1 3.85Å; Y117-I125 HydrophobicContact CG-CG1 3.84Å; Y117-P126 VanDerWaalsContact CE1-CD 3.44Å; Y117-P126 HydrophobicContact CE1-CG 4.38Å; Y117-P126 WeakPolarHBondContact OH-CD 3.24Å
118	Q	96.7	Very high	96.2	Very high	114 Å²	114	46 Å²	46	53%	0.533	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-47.7	178.1	-170	178.3	19.9	0	0	111.8	M56 F114 A115 A116 L120 H121	M56-Q118 HydrophobicContact CE-CB 3.65Å; M56-Q118 HydrophobicContact CE-CG 4.37Å; F114-Q118 WeakPolarHBondContact O-CB 3.42Å; F114-Q118 PolarHBondContact O-N 3.1Å; A115-Q118 PolarHBondContact O-N 2.8Å; A116-Q118 VanDerWaalsContact C-N 3.25Å; A116-Q118 PolarHBondContact O-N 3.03Å; Q118-L120 PolarHBondContact O-N 2.67Å; Q118-H121 PolarHBondContact O-N 3.35Å
119	R	97.3	Very high	96.1	Very high	88 Å²	88	45.2 Å²	45.2	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-68.2	-26.1	179.2	-71	171.7	-175.1	170.8	-2.9	112.7	E69 V72 M76 A115 A116 H121	E69-R119 IonicContact OE1-CZ 2.64Å; E69-R119 IonicContact OE1-NH1 3.22Å; E69-R119 IonicContact OE1-NH2 3.66Å; E69-R119 PolarHBondContact OE1-NH2 3.5Å; E69-R119 IonicContact OE2-CZ 3.68Å; E69-R119 IonicContact OE2-NH1 3.92Å; E69-R119 PolarHBondContact OE2-NH1 2.92Å; E69-R119 IonicContact OE2-NH2 3.14Å; E69-R119 PolarHBondContact OE2-NH2 3.14Å; E69-R119 VanDerWaalsContact OE2-NH2 3.1Å; V72-R119 VanDerWaalsContact CB-NH1 3.3Å; M76-R119 HydrophobicContact CE-CB 3.74Å; M76-R119 HydrophobicContact SD-CB 3.72Å; M76-R119 HydrophobicContact SD-CG 4.49Å; A115-R119 WeakPolarHBondContact O-CB 3.4Å; A115-R119 VanDerWaalsContact O-CG 3.3Å; A115-R119 WeakPolarHBondContact O-CG 3.5Å; A115-R119 PolarHBondContact O-N 2.78Å; A116-R119 PolarHBondContact O-N 3.01Å; R119-H121 PolarHBondContact O-CE1 2.84Å; R119-H121 PolarHBondContact O-N 2.94Å; R119-H121 PolarHBondContact O-ND1 3.11Å; R119-H121 VanDerWaalsContact O-ND1 3.15Å
120	L	95.8	Very high	96.2	Very high	31 Å²	31	43.7 Å²	43.7	16%	0.162	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.8	170.8	-66.4	176.5	0	0	0	113.5	M76 I79 K80 A116 Y117 Q118 M122	M76-L120 HydrophobicContact CB-CD1 4.32Å; M76-L120 HydrophobicContact CB-CD2 4.19Å; M76-L120 HydrophobicContact CB-CG 4.34Å; M76-L120 HydrophobicContact CE-CD2 3.64Å; M76-L120 HydrophobicContact CE-CG 4.04Å; M76-L120 HydrophobicContact CG-CD1 4.29Å; M76-L120 HydrophobicContact CG-CD2 4.29Å; M76-L120 HydrophobicContact CG-CG 4.05Å; I79-L120 HydrophobicContact CB-CD1 3.84Å; I79-L120 HydrophobicContact CD1-CD1 4.17Å; I79-L120 HydrophobicContact CG2-CD1 3.58Å; K80-L120 HydrophobicContact CD-CD2 4.09Å; K80-L120 HydrophobicContact CG-CD2 3.92Å; A116-L120 WeakPolarHBondContact O-CB 3.18Å; A116-L120 WeakPolarHBondContact O-CG 3.39Å; A116-L120 PolarHBondContact O-N 2.96Å; Y117-L120 PolarHBondContact O-N 2.92Å; Q118-L120 PolarHBondContact O-N 2.67Å; L120-M122 HydrophobicContact CB-CG 3.77Å; L120-M122 HydrophobicContact CB-SD 4.44Å; L120-M122 PolarHBondContact O-N 3.37Å
121	H	95.9	Very high	96.1	Very high	168 Å²	168	52.6 Å²	52.6	78%	0.778	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	35	-176.2	-54.1	82.1	0	0	0	112.8	Y117 Q118 R119	Y117-H121 PolarHBondContact O-N 3.16Å; Q118-H121 PolarHBondContact O-N 3.35Å; R119-H121 PolarHBondContact O-CE1 2.84Å; R119-H121 PolarHBondContact O-N 2.94Å; R119-H121 PolarHBondContact O-ND1 3.11Å; R119-H121 VanDerWaalsContact O-ND1 3.15Å
122	M	94.7	Very high	96	Very high	75 Å²	75	51.8 Å²	51.8	37%	0.369	24%	0.241	S	C	.	.			trans	-70.6	134.5	177.3	-62.5	-63.2	-74.6	0	0	109.7	M56 Y117 L120 T124	M56-M122 HydrophobicContact SD-CB 4.45Å; Y117-M122 HydrophobicContact CD1-CB 3.8Å; Y117-M122 HydrophobicContact CD1-CG 3.84Å; Y117-M122 HydrophobicContact CG-CG 4.47Å; Y117-M122 PolarHBondContact O-N 3.37Å; L120-M122 HydrophobicContact CB-CG 3.77Å; L120-M122 HydrophobicContact CB-SD 4.44Å; L120-M122 PolarHBondContact O-N 3.37Å; M122-T124 VanDerWaalsContact C-N 3.3Å; M122-T124 PolarHBondContact O-N 3.44Å
123	P	96.2	Very high	95.8	Very high	99 Å²	99	53.9 Å²	53.9	64%	0.643	25%	0.254	S	S	*	.	S	Bend	trans	-70.8	-30.2	-179.8	27.4	-34.3	0	0	0	112.1	P55 M56	P55-P123 WeakPolarHBondContact CA-O 3.45Å; M56-P123 PolarHBondContact N-O 3.31Å
124	T	96.6	Very high	95.7	Very high	43 Å²	43	54.3 Å²	54.3	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.8	-175.8	59.2	0	0	0	0	111.3	N53 V54 M122	N53-T124 HydrophobicContact CB-CG2 4.43Å; V54-T124 CarbonylContact O-C 3.53Å; V54-T124 WeakPolarHBondContact O-CA 3.35Å; M122-T124 VanDerWaalsContact C-N 3.3Å; M122-T124 PolarHBondContact O-N 3.44Å
125	I	95.8	Very high	95.6	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.5	173.3	-175.8	166.9	0	0	0	110.1	V54 M56 I59 I91 F114 Y117 A127	V54-I125 PolarHBondContact N-O 3.29Å; V54-I125 PolarHBondContact O-N 2.86Å; M56-I125 HydrophobicContact CG-CB 4.31Å; M56-I125 HydrophobicContact CG-CG2 4.22Å; I59-I125 HydrophobicContact CD1-CG2 3.44Å; I59-I125 VanDerWaalsContact CD1-CG2 3.44Å; I91-I125 HydrophobicContact CD1-CD1 3.93Å; I91-I125 HydrophobicContact CD1-CG1 4.38Å; I91-I125 HydrophobicContact CD1-CG2 3.96Å; I91-I125 HydrophobicContact CG1-CD1 4.16Å; I91-I125 HydrophobicContact CG1-CG1 4.33Å; I91-I125 HydrophobicContact CG2-CD1 3.97Å; F114-I125 HydrophobicContact CB-CD1 4.45Å; F114-I125 HydrophobicContact CD2-CD1 4.31Å; Y117-I125 HydrophobicContact CD1-CB 4.05Å; Y117-I125 HydrophobicContact CD1-CD1 4.5Å; Y117-I125 HydrophobicContact CD1-CG1 3.99Å; Y117-I125 HydrophobicContact CD2-CD1 3.74Å; Y117-I125 HydrophobicContact CD2-CG1 3.93Å; Y117-I125 HydrophobicContact CE1-CG1 4.24Å; Y117-I125 HydrophobicContact CE2-CD1 4.31Å; Y117-I125 HydrophobicContact CE2-CG1 4.16Å; Y117-I125 HydrophobicContact CG-CB 4.19Å; Y117-I125 HydrophobicContact CG-CD1 3.85Å; Y117-I125 HydrophobicContact CG-CG1 3.84Å; I125-A127 PolarHBondContact O-N 2.82Å
126	P	95.1	Very high	95.4	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	120	171.2	-22.7	33.3	0	0	0	110.4	V51 I85 P90 I91 Y117	V51-P126 HydrophobicContact CG1-CB 4.06Å; I85-P126 HydrophobicContact CG2-CB 3.69Å; I85-P126 HydrophobicContact CG2-CG 3.5Å; I85-P126 VanDerWaalsContact CG2-CG 3.5Å; P90-P126 VanDerWaalsContact CA-O 3.27Å; P90-P126 WeakPolarHBondContact CA-O 3.34Å; P90-P126 HydrophobicContact CB-CB 4.17Å; P90-P126 WeakPolarHBondContact CB-O 3.45Å; I91-P126 PolarHBondContact N-O 3.37Å; Y117-P126 VanDerWaalsContact CE1-CD 3.44Å; Y117-P126 HydrophobicContact CE1-CG 4.38Å; Y117-P126 WeakPolarHBondContact OH-CD 3.24Å
127	A	95.3	Very high	95.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.6	-176.9	0	0	0	0	0	111.2	H52 V54 I91 V93 I125	H52-A127 PolarHBondContact N-O 2.97Å; H52-A127 PolarHBondContact O-N 3.5Å; V54-A127 HydrophobicContact CB-CB 4.15Å; V54-A127 HydrophobicContact CG2-CB 3.72Å; I91-A127 HydrophobicContact CD1-CB 4.39Å; I91-A127 HydrophobicContact CG1-CB 3.77Å; I91-A127 CarbonylContact O-C 3.5Å; I91-A127 VanDerWaalsContact O-CA 3.24Å; I91-A127 WeakPolarHBondContact O-CA 3.35Å; V93-A127 HydrophobicContact CB-CB 4.4Å; V93-A127 HydrophobicContact CG2-CB 3.67Å; I125-A127 PolarHBondContact O-N 2.82Å
128	K	94.6	Very high	95.4	Very high	68 Å²	68	65.5 Å²	65.5	30%	0.296	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	114.3	170.3	-170.8	-167.6	-74.3	176.7	0	107.8	Q49 I91 V93 I130	Q49-K128 HydrophobicContact CB-CD 3.62Å; Q49-K128 HydrophobicContact CB-CG 3.2Å; Q49-K128 HydrophobicContact CG-CD 4.32Å; Q49-K128 HydrophobicContact CG-CG 4.15Å; I91-K128 PolarHBondContact O-N 3.29Å; V93-K128 PolarHBondContact N-O 2.89Å; K128-I130 PolarHBondContact O-N 3.31Å
129	L	94.6	Very high	95.3	Very high	28 Å²	28	65.8 Å²	65.8	15%	0.147	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	107	-179.5	-66.9	-176.6	0	0	0	110.3	H52 V54 V93 Y105	H52-L129 HydrophobicContact CB-CD1 4.34Å; V54-L129 HydrophobicContact CG2-CD2 3.87Å; V54-L129 HydrophobicContact CG2-CG 4.38Å; V93-L129 HydrophobicContact CB-CD2 4.04Å; V93-L129 HydrophobicContact CG1-CD2 3.94Å; Y105-L129 HydrophobicContact CD1-CD2 3.97Å; Y105-L129 HydrophobicContact CE1-CD1 4.49Å; Y105-L129 HydrophobicContact CE1-CD2 4.15Å
130	I	94.2	Very high	95.3	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.6	173.9	-54	156.6	0	0	0	107.9	V43 Q49 D92 V93 L94 W95 K128 S132	V43-I130 HydrophobicContact CG1-CG2 3.68Å; Q49-I130 VanDerWaalsContact CD-CG1 3.5Å; D92-I130 HydrophobicContact CB-CD1 3.82Å; V93-I130 PolarHBondContact O-N 2.64Å; L94-I130 HydrophobicContact CD1-CD1 4.31Å; W95-I130 PolarHBondContact N-O 2.87Å; K128-I130 PolarHBondContact O-N 3.31Å; I130-S132 PolarHBondContact O-N 3.28Å; I130-S132 PolarHBondContact O-OG 3.33Å
131	R	93.9	Very high	95.3	Very high	202 Å²	202	64.5 Å²	64.5	76%	0.762	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	122.3	171.6	-72.2	-174.2	-179.1	166.5	4.7	109.3	W95	W95-R131 HydrophobicContact CD2-CG 4.49Å; W95-R131 HydrophobicContact CE3-CG 3.71Å; W95-R131 HydrophobicContact CZ3-CG 4.03Å
132	S	94.6	Very high	95.3	Very high	15 Å²	15	58 Å²	58	11%	0.105	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.9	-174.9	-67.6	0	0	0	0	111.6	L94 W95 I130 D136	L94-S132 WeakPolarHBondContact CG-OG 3.25Å; W95-S132 PolarHBondContact O-N 2.86Å; I130-S132 PolarHBondContact O-N 3.28Å; I130-S132 PolarHBondContact O-OG 3.33Å; S132-D136 VanDerWaalsContact CA-OD2 3.25Å; S132-D136 WeakPolarHBondContact CA-OD2 3.44Å; S132-D136 WeakPolarHBondContact CB-OD2 3.34Å
133	N	94.3	Very high	95.4	Very high	79 Å²	79	59.7 Å²	59.7	42%	0.422	32%	0.324	S	S	.	.			trans	-113.3	178	176.2	66.2	63.8	0	0	0	111.2	S135 D136 L137	N133-S135 VanDerWaalsContact C-N 3.28Å; N133-S135 PolarHBondContact O-N 3.37Å; N133-S135 VanDerWaalsContact OD1-CA 3.3Å; N133-S135 WeakPolarHBondContact OD1-CA 3.39Å; N133-S135 WeakPolarHBondContact OD1-CB 2.97Å; N133-S135 PolarHBondContact OD1-N 3.07Å; N133-D136 PolarHBondContact N-OD2 2.94Å; N133-D136 PolarHBondContact ND2-OD2 2.98Å; N133-D136 VanDerWaalsContact ND2-OD2 3.11Å; N133-D136 WeakPolarHBondContact O-CB 3.48Å; N133-D136 PolarHBondContact O-N 3.4Å; N133-D136 PolarHBondContact OD1-N 2.97Å; N133-L137 PolarHBondContact O-N 3.32Å
134	I	95.6	Very high	95.4	Very high	76 Å²	76	59.7 Å²	59.7	39%	0.39	33%	0.326	S	S	.	.	H	α-helix	trans	-67	-27.8	-177.6	-156.6	151.6	0	0	0	113.3	L137 R138 T145 L148	I134-L137 PolarHBondContact O-N 3.06Å; I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 2.82Å; I134-T145 HydrophobicContact CG1-CG2 3.94Å; I134-L148 HydrophobicContact CD1-CG 4.49Å
135	S	94.4	Very high	95.4	Very high	77 Å²	77	59.1 Å²	59.1	54%	0.538	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-37.8	174.3	-53.4	0	0	0	0	111.1	N133 L137 R138 T139	N133-S135 VanDerWaalsContact C-N 3.28Å; N133-S135 PolarHBondContact O-N 3.37Å; N133-S135 VanDerWaalsContact OD1-CA 3.3Å; N133-S135 WeakPolarHBondContact OD1-CA 3.39Å; N133-S135 WeakPolarHBondContact OD1-CB 2.97Å; N133-S135 PolarHBondContact OD1-N 3.07Å; S135-L137 VanDerWaalsContact C-N 3.33Å; S135-L137 PolarHBondContact O-N 3.36Å; S135-R138 WeakPolarHBondContact O-CB 3.42Å; S135-R138 PolarHBondContact O-N 3.22Å; S135-T139 PolarHBondContact O-N 3.21Å; S135-T139 PolarHBondContact O-OG1 3.49Å
136	D	94.4	Very high	95.4	Very high	35 Å²	35	61.3 Å²	61.3	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-43.6	174	-55.1	-32.6	0	0	0	110.4	V43 L94 S132 N133 R138 T139 Y140	V43-D136 HydrophobicContact CG2-CB 4.35Å; L94-D136 HydrophobicContact CD2-CB 4.39Å; S132-D136 VanDerWaalsContact CA-OD2 3.25Å; S132-D136 WeakPolarHBondContact CA-OD2 3.44Å; S132-D136 WeakPolarHBondContact CB-OD2 3.34Å; N133-D136 PolarHBondContact N-OD2 2.94Å; N133-D136 PolarHBondContact ND2-OD2 2.98Å; N133-D136 VanDerWaalsContact ND2-OD2 3.11Å; N133-D136 WeakPolarHBondContact O-CB 3.48Å; N133-D136 PolarHBondContact O-N 3.4Å; N133-D136 PolarHBondContact OD1-N 2.97Å; D136-R138 VanDerWaalsContact C-N 3.27Å; D136-R138 PolarHBondContact O-N 3.24Å; D136-T139 WeakPolarHBondContact O-CB 3.4Å; D136-T139 PolarHBondContact O-N 3.41Å; D136-Y140 WeakPolarHBondContact O-CD2 3.13Å; D136-Y140 WeakPolarHBondContact O-CE2 3.3Å
137	L	96.3	Very high	95.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-37.9	174.9	-172.9	59.2	0	0	0	112.1	I96 Y106 F108 N133 I134 S135 T139 Y140 L141 T145 L148	I96-L137 HydrophobicContact CD1-CB 3.64Å; I96-L137 HydrophobicContact CD1-CD1 4.05Å; I96-L137 HydrophobicContact CD1-CD2 3.83Å; I96-L137 HydrophobicContact CD1-CG 4.04Å; Y106-L137 HydrophobicContact CD1-CD1 3.94Å; Y106-L137 HydrophobicContact CD2-CD1 4Å; Y106-L137 HydrophobicContact CD2-CD2 4.27Å; Y106-L137 HydrophobicContact CE1-CD1 4.26Å; Y106-L137 HydrophobicContact CE2-CD1 4.32Å; Y106-L137 HydrophobicContact CE2-CD2 3.89Å; Y106-L137 HydrophobicContact CG-CD1 3.79Å; F108-L137 HydrophobicContact CE2-CD1 4.12Å; F108-L137 HydrophobicContact CZ-CD1 3.68Å; N133-L137 PolarHBondContact O-N 3.32Å; I134-L137 PolarHBondContact O-N 3.06Å; S135-L137 VanDerWaalsContact C-N 3.33Å; S135-L137 PolarHBondContact O-N 3.36Å; L137-T139 PolarHBondContact O-N 3.2Å; L137-Y140 PolarHBondContact O-N 3.17Å; L137-L141 HydrophobicContact CD1-CD1 3.79Å; L137-L141 HydrophobicContact CD1-CG 4.08Å; L137-L141 HydrophobicContact CD2-CD1 4.1Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 HydrophobicContact CG-CG 4.25Å; L137-L141 PolarHBondContact O-N 3.13Å; L137-T145 HydrophobicContact CB-CG2 4.35Å; L137-T145 HydrophobicContact CD2-CG2 4.03Å; L137-T145 HydrophobicContact CG-CG2 4.09Å; L137-L148 HydrophobicContact CD2-CD1 4Å
138	R	96.6	Very high	95.4	Very high	167 Å²	167	66.5 Å²	66.5	63%	0.63	37%	0.365	S	S	*	.	H	α-helix	trans	-63.8	-27.5	178.7	-171.1	175.3	-179.2	178.7	0.4	113.3	I134 S135 D136 Y140 G142 T145	I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 2.82Å; S135-R138 WeakPolarHBondContact O-CB 3.42Å; S135-R138 PolarHBondContact O-N 3.22Å; D136-R138 VanDerWaalsContact C-N 3.27Å; D136-R138 PolarHBondContact O-N 3.24Å; R138-Y140 PolarHBondContact O-N 3.17Å; R138-G142 VanDerWaalsContact O-CA 3.25Å; R138-G142 WeakPolarHBondContact O-CA 3.46Å; R138-G142 PolarHBondContact O-N 3.46Å; R138-T145 VanDerWaalsContact CA-OG1 3.26Å; R138-T145 WeakPolarHBondContact CA-OG1 3.38Å; R138-T145 HydrophobicContact CB-CG2 4.35Å
139	T	96.1	Very high	95.3	Very high	120 Å²	120	69.5 Å²	69.5	74%	0.736	38%	0.375	S	S	*	.	H	α-helix	trans	-61.5	-28.6	171.4	-55.4	0	0	0	0	112.3	S135 D136 L137	S135-T139 PolarHBondContact O-N 3.21Å; S135-T139 PolarHBondContact O-OG1 3.49Å; D136-T139 WeakPolarHBondContact O-CB 3.4Å; D136-T139 PolarHBondContact O-N 3.41Å; L137-T139 PolarHBondContact O-N 3.2Å
140	Y	95.6	Very high	95.4	Very high	68 Å²	68	71.6 Å²	71.6	27%	0.267	39%	0.386	S	S	.	.	H	α-helix	trans	-93.7	-42.8	177.8	-59.7	-89	0	0	0	113.1	H44 L94 F108 D136 L137 R138	H44-Y140 PolarHBondContact CE1-OH 2.9Å; L94-Y140 HydrophobicContact CD2-CD2 4.25Å; L94-Y140 HydrophobicContact CD2-CE2 3.83Å; F108-Y140 HydrophobicContact CB-CD1 4.13Å; F108-Y140 HydrophobicContact CB-CE1 4.25Å; F108-Y140 HydrophobicContact CD1-CD1 4.03Å; F108-Y140 HydrophobicContact CD1-CG 4.21Å; F108-Y140 AromaticContact CD2-CD1 3.58Å; F108-Y140 HydrophobicContact CD2-CD1 3.58Å; F108-Y140 HydrophobicContact CD2-CD2 4.02Å; F108-Y140 AromaticContact CD2-CE1 3.82Å; F108-Y140 HydrophobicContact CD2-CE1 3.82Å; F108-Y140 HydrophobicContact CD2-CE2 4.25Å; F108-Y140 AromaticContact CD2-CG 3.68Å; F108-Y140 HydrophobicContact CD2-CG 3.68Å; F108-Y140 HydrophobicContact CE1-CD1 4.37Å; F108-Y140 HydrophobicContact CE1-CG 4.08Å; F108-Y140 AromaticContact CE2-CD1 3.97Å; F108-Y140 HydrophobicContact CE2-CD1 3.97Å; F108-Y140 AromaticContact CE2-CD2 3.68Å; F108-Y140 HydrophobicContact CE2-CD2 3.68Å; F108-Y140 HydrophobicContact CE2-CE1 4.45Å; F108-Y140 HydrophobicContact CE2-CE2 4.21Å; F108-Y140 AromaticContact CE2-CG 3.55Å; F108-Y140 HydrophobicContact CE2-CG 3.55Å; F108-Y140 AromaticContact CG-CD1 3.62Å; F108-Y140 HydrophobicContact CG-CD1 3.62Å; F108-Y140 HydrophobicContact CG-CE1 4.06Å; F108-Y140 HydrophobicContact CG-CG 4.02Å; F108-Y140 VanDerWaalsContact CZ-CB 3.49Å; F108-Y140 HydrophobicContact CZ-CD1 4.35Å; F108-Y140 HydrophobicContact CZ-CD2 4.17Å; F108-Y140 AromaticContact CZ-CG 3.76Å; F108-Y140 HydrophobicContact CZ-CG 3.76Å; D136-Y140 WeakPolarHBondContact O-CD2 3.13Å; D136-Y140 WeakPolarHBondContact O-CE2 3.3Å; L137-Y140 PolarHBondContact O-N 3.17Å; R138-Y140 PolarHBondContact O-N 3.17Å
141	L	96.6	Very high	95.4	Very high	24 Å²	24	75.1 Å²	75.1	13%	0.126	41%	0.405	C	S	.	.	H	α-helix	trans	-96.3	-14.9	-172.1	-60.5	-173.6	0	0	0	114	P62 F63 Y106 F108 L137 A143 S144	P62-L141 HydrophobicContact CB-CD2 3.77Å; P62-L141 HydrophobicContact CG-CD2 3.93Å; F63-L141 HydrophobicContact CE2-CD2 4.3Å; F63-L141 HydrophobicContact CZ-CD2 3.84Å; Y106-L141 HydrophobicContact CE1-CD1 4.31Å; F108-L141 HydrophobicContact CE1-CD2 4Å; F108-L141 HydrophobicContact CZ-CD2 4.39Å; F108-L141 HydrophobicContact CZ-CG 4.49Å; L137-L141 HydrophobicContact CD1-CD1 3.79Å; L137-L141 HydrophobicContact CD1-CG 4.08Å; L137-L141 HydrophobicContact CD2-CD1 4.1Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 HydrophobicContact CG-CG 4.25Å; L137-L141 PolarHBondContact O-N 3.13Å; L141-A143 PolarHBondContact O-N 2.86Å; L141-S144 WeakPolarHBondContact O-CB 3.2Å; L141-S144 PolarHBondContact O-N 3.4Å
142	G	96.1	Very high	95.5	Very high	32 Å²	32	68.1 Å²	68.1	33%	0.33	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	56.3	-128.5	-178.6	0	0	0	0	0	112	R138 S144 T145	R138-G142 VanDerWaalsContact O-CA 3.25Å; R138-G142 WeakPolarHBondContact O-CA 3.46Å; R138-G142 PolarHBondContact O-N 3.46Å; G142-S144 PolarHBondContact O-N 3.35Å; G142-T145 PolarHBondContact O-N 2.72Å; G142-T145 PolarHBondContact O-OG1 3.34Å
143	A	96.3	Very high	95.6	Very high	110 Å²	110	71.2 Å²	71.2	91%	0.909	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-66.2	-16.5	177.2	0	0	0	0	0	113.7	L141 T145	L141-A143 PolarHBondContact O-N 2.86Å; A143-T145 PolarHBondContact O-N 2.83Å
144	S	96.8	Very high	95.6	Very high	98 Å²	98	70.7 Å²	70.7	69%	0.685	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-86.8	10.6	179.6	-49.1	0	0	0	0	113.2	L141 G142 P146	L141-S144 WeakPolarHBondContact O-CB 3.2Å; L141-S144 PolarHBondContact O-N 3.4Å; G142-S144 PolarHBondContact O-N 3.35Å; S144-P146 WeakPolarHBondContact O-CD 3.26Å
145	T	97.3	Very high	95.6	Very high	32 Å²	32	70.3 Å²	70.3	20%	0.196	40%	0.401	C	S	.	.			trans	-68	120	179.5	-53	0	0	0	0	109.7	I134 L137 R138 G142 A143	I134-T145 HydrophobicContact CG1-CG2 3.94Å; L137-T145 HydrophobicContact CB-CG2 4.35Å; L137-T145 HydrophobicContact CD2-CG2 4.03Å; L137-T145 HydrophobicContact CG-CG2 4.09Å; R138-T145 VanDerWaalsContact CA-OG1 3.26Å; R138-T145 WeakPolarHBondContact CA-OG1 3.38Å; R138-T145 HydrophobicContact CB-CG2 4.35Å; G142-T145 PolarHBondContact O-N 2.72Å; G142-T145 PolarHBondContact O-OG1 3.34Å; A143-T145 PolarHBondContact O-N 2.83Å
146	P	95.9	Very high	95.7	Very high	48 Å²	48	69.9 Å²	69.9	31%	0.312	39%	0.391	S	S	.	.			trans	-73.6	156.5	-179.2	31.5	-35.6	0	0	0	111.4	S144 L148	S144-P146 WeakPolarHBondContact O-CD 3.26Å; P146-L148 HydrophobicContact CB-CD2 4.34Å; P146-L148 HydrophobicContact CG-CD2 3.75Å; P146-L148 HydrophobicContact CG-CG 4.43Å; P146-L148 PolarHBondContact O-N 3.3Å
147	D	95	Very high	95.8	Very high	104 Å²	104	72.5 Å²	72.5	56%	0.556	41%	0.407	S	S	*	.			trans	-81.5	101.4	169.2	-176.8	22.6	0	0	0	109.8	R149	D147-R149 IonicContact OD2-CZ 3.1Å; D147-R149 IonicContact OD2-NE 2.67Å; D147-R149 PolarHBondContact OD2-NE 3.23Å; D147-R149 IonicContact OD2-NH2 2.8Å; D147-R149 PolarHBondContact OD2-NH2 3.43Å
148	L	94.9	Very high	95.8	Very high	9 Å²	9	78.6 Å²	78.6	5%	0.047	44%	0.441	C	S	.	.			trans	-80.2	127.8	-175.4	-60.3	-178.2	0	0	0	111.2	I96 S99 Y104 Y106 I134 L137 P146	I96-L148 HydrophobicContact CB-CD1 4.19Å; I96-L148 HydrophobicContact CG2-CD1 3.71Å; S99-L148 PolarHBondContact N-O 3.33Å; S99-L148 PolarHBondContact OG-O 3.37Å; Y104-L148 HydrophobicContact CD1-CD2 3.76Å; Y104-L148 HydrophobicContact CD2-CB 3.97Å; Y104-L148 HydrophobicContact CD2-CD1 3.93Å; Y104-L148 HydrophobicContact CD2-CD2 4.11Å; Y104-L148 HydrophobicContact CD2-CG 4.22Å; Y104-L148 HydrophobicContact CE1-CD2 3.77Å; Y104-L148 HydrophobicContact CE2-CB 3.68Å; Y104-L148 HydrophobicContact CE2-CD1 4.48Å; Y104-L148 HydrophobicContact CE2-CD2 4.12Å; Y104-L148 HydrophobicContact CE2-CG 4.3Å; Y104-L148 HydrophobicContact CG-CD1 4.01Å; Y104-L148 HydrophobicContact CG-CD2 3.91Å; Y104-L148 HydrophobicContact CG-CG 4.4Å; Y106-L148 HydrophobicContact CE2-CD1 4.42Å; I134-L148 HydrophobicContact CD1-CG 4.49Å; L137-L148 HydrophobicContact CD2-CD1 4Å; P146-L148 HydrophobicContact CB-CD2 4.34Å; P146-L148 HydrophobicContact CG-CD2 3.75Å; P146-L148 HydrophobicContact CG-CG 4.43Å; P146-L148 PolarHBondContact O-N 3.3Å
149	R	92.4	Very high	95.7	Very high	131 Å²	131	70.5 Å²	70.5	49%	0.494	42%	0.423	S	S	.	.			trans	-100.7	0	-179.4	-56.7	-63.6	175.3	156.1	-6.3	109.8	G98 S99 E100 G101 G102 Y104 D147	G98-R149 WeakPolarHBondContact CA-OXT 3.25Å; S99-R149 PolarHBondContact N-OXT 3.25Å; E100-R149 VanDerWaalsContact CA-OXT 3.24Å; E100-R149 WeakPolarHBondContact CA-OXT 3.38Å; E100-R149 VanDerWaalsContact CB-OXT 3.3Å; E100-R149 WeakPolarHBondContact CB-OXT 3.3Å; E100-R149 HydrophobicContact CG-CB 4.23Å; E100-R149 PolarHBondContact N-OXT 2.96Å; E100-R149 IonicContact OE1-NH1 3.29Å; G101-R149 PolarHBondContact N-OXT 2.95Å; G102-R149 PolarHBondContact N-OXT 3.41Å; Y104-R149 WeakPolarHBondContact CE2-O 3.34Å; Y104-R149 PolarHBondContact OH-N 3.28Å; Y104-R149 VanDerWaalsContact OH-N 3.12Å; Y104-R149 PolarHBondContact OH-O 3.4Å; D147-R149 IonicContact OD2-CZ 3.1Å; D147-R149 IonicContact OD2-NE 2.67Å; D147-R149 PolarHBondContact OD2-NE 3.23Å; D147-R149 IonicContact OD2-NH2 2.8Å; D147-R149 PolarHBondContact OD2-NH2 3.43Å

Retrieved 149 of 149 residues in 84.5 ms (Link to these results)

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